smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1 6441096 IPXCBDWKRMZXSW-OAHLLOKOSA-N 389.477 1.920 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 6867937 BUDPLQZCTMPDML-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB Cc1cc(C)nc(NNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)n1 11334317 OXASQBSIECNMPU-GFCCVEGCSA-N 375.454 1.561 50 40 GDGB COc1cc(/C=N/NC(N)=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 58823042 QSBBPNDGFUXBKN-RQZCQDPDSA-N 394.365 1.373 50 40 GDGB Cc1cc(C)n(-c2ccc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cc2)n1 12804348 JYYQLXJUGLFTDK-QGZVFWFLSA-N 376.482 1.595 50 40 GDGB Cc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 14199293 DRDCMTOAHLXJOK-CYBMUJFWSA-N 387.461 1.780 50 40 GDGB O=C(NNC(=O)c1ccco1)c1cccc(S(=O)(=O)NC2CCCC2)c1 32779762 UNOHNPMCQCFWHI-UHFFFAOYSA-N 377.422 1.575 50 40 GDGB NS(=O)(=O)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 5733635 FEPPIXLQXDJECC-UHFFFAOYSA-N 387.201 1.434 50 40 GDGB O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])NNC(=O)c1cccs1 10748849 KKGVTULFKMQXOS-UHFFFAOYSA-N 383.769 1.928 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 6497052 YNPFLKDJFGGZDD-FSJBWODESA-N 396.447 1.907 50 40 GDGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 408616026 UXLHVHPFMSRGBF-AWEZNQCLSA-N 382.376 1.717 50 40 GDGB CC(=O)c1cccc(NC(=S)NNC(=O)Cn2ncc3ccccc3c2=O)c1 4624274 BVMJESJUWQLZHH-UHFFFAOYSA-N 395.444 1.617 50 40 GDGB COc1ccc(/C=C(\C#N)C(=O)NNC(=S)NC(=O)c2ccccc2)cc1 4181167 OJOUUULYRIEAOS-RVDMUPIBSA-N 380.429 1.938 50 40 GDGB Cc1nc2ccccc2n1CC(=O)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 7993468 LFEDWZHSLDDYFT-UHFFFAOYSA-N 378.348 1.726 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1OC 20211280 YHPCNMONBXCJAD-YBFXNURJSA-N 392.437 1.015 50 40 GDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)c(OC)c1 4702988 ULXUMHRKLLZIOQ-RGVLZGJSSA-N 387.392 1.810 50 40 GDGB O=C(NNC(=O)c1ccccc1F)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 40134538 HFYIMVACSNTUQR-UHFFFAOYSA-N 386.358 1.904 50 40 GDGB Cc1csc(CC(=O)N/N=C/c2c(Cl)nc(N)nc2N2CCCC2)n1 40050007 ANFXBLOUJCGISZ-CNHKJKLMSA-N 379.877 1.770 50 40 GDGB CCCCOC(=O)c1ccc(N/N=C2\C(=O)N(CCO)C(=O)C(C#N)=C2C)cc1 103604347 LTGFJSODIFYKPT-QJOMJCCJSA-N 398.419 1.613 50 40 GDGB Cc1c(C(=O)N/N=C/c2ccc(Br)cc2)nnn1-c1nonc1N 705545 QZQGFJBPESEXBV-OMCISZLKSA-N 391.189 1.067 50 40 GDGB C[C@]1(Cc2nsc(NC(=O)c3ccccc3)n2)NC(=O)C(C#N)=C(S)N1 20219896 GCOOOCGMWDSTCE-INIZCTEOSA-N 386.462 1.433 50 40 GDGB O=C(NNC(=S)NC1CC1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 7528461 CVRBOHFUKWRNCC-UHFFFAOYSA-N 393.476 1.660 50 40 GDGB CCOC(=O)/C(C#N)=C/c1c(N2C[C@@H](C)O[C@H](C)C2)nc2ccccn2c1=O 5022036 PLZXBCNWZIKTSC-OMZQKGCKSA-N 382.420 1.778 50 40 GDGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)c1 408775364 GDCNCEGUSUOJPU-YBFXNURJSA-N 375.450 1.925 50 40 GDGB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NNC(=O)c2ccccc2)CC1 40068954 PPIGTEAQIIOZGJ-MRXNPFEDSA-N 387.484 1.060 50 40 GDGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cn(Cc2ccccc2)nn1 1775973629 WEJDXFBSHJXEHB-HNNXBMFYSA-N 375.816 1.736 50 40 GDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)c1 2641441 HXKGWNXOYAKFGO-UHFFFAOYSA-N 381.841 1.665 50 40 GDGB COc1ccc(C(=O)NCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 8208050 FEKWUCQXTCFCCY-UHFFFAOYSA-N 385.464 1.789 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 58881162 MHVVEDVAFZEYIR-KEBDBYFISA-N 389.795 1.981 50 40 GDGB O=C(NNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1cc2c(s1)CCC2 29761570 JAXAERUDNDNUCX-UHFFFAOYSA-N 398.488 1.945 50 40 GDGB CC(=O)N1CSC[C@H]1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 58082802 NPCKODAHPVZAOP-KRWDZBQOSA-N 399.472 1.801 50 40 GDGB O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)COc1ccc(F)cc1 6208531 ASAVWABGSBFZDU-UHFFFAOYSA-N 393.802 1.825 50 40 GDGB Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12949682 PTXOUOLECCFFNF-CQSZACIVSA-N 395.415 1.580 50 40 GDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cc(C)cc2C)c1 8333402 BWWPMQDQIHCSQX-FOKLQQMPSA-N 396.447 1.825 50 40 GDGB Cc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 19954466 JXVNBHABIQTPJW-WOJGMQOQSA-N 390.421 1.820 50 40 GDGB O=C(OC(=O)[C@H](F)I)[C@H](F)I 885164221 VVKQTLHTLLYGTG-JCYAYHJZSA-N 389.861 1.517 50 40 GDGB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc(-n2c(C)ccc2C)cc1 32969069 ZVRDKOJDKONLJI-SJKOYZFVSA-N 385.468 1.938 50 40 GDGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)C(C)(C)C)s2)ccc1O 59498802 OGFSSAOKDPQKSR-GIJQJNRQSA-N 391.453 1.930 50 40 GDGB Cn1/c(=N\NC(=O)CCNS(=O)(=O)c2ccccc2)sc2ccccc21 102416101 CCTOONVIQDWRBP-LVZFUZTISA-N 390.490 1.540 50 40 GDGB COC(=O)COc1ccc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc1 408884991 WOGIJARPQAQNPP-NKVSQWTQSA-N 385.376 1.529 50 40 GDGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3n[nH]c4c3CCCC4)CC2=O)cc1 12531462 QMWJQJUAQWHXPG-AWEZNQCLSA-N 395.463 1.665 50 40 GDGB Cc1nnn(-c2nonc2N)c1C(=O)NN=C1CCC(c2ccccc2)CC1 25762955 BETHRNAOGKEQDL-UHFFFAOYSA-N 380.412 1.985 50 40 GDGB CCCn1nc(C(=O)NNC(=O)c2ccc3c(c2)CCO3)c2ccccc2c1=O 40069570 HDDNNXGIZLWXOR-UHFFFAOYSA-N 392.415 1.816 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 58873625 UXSSCBMLDBGECH-STCDJXRXSA-N 383.404 1.566 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)c2cc(C)oc2C)cc1NC(C)=O 14254674 VYSMTDHUDAAPOB-UHFFFAOYSA-N 381.410 1.487 50 40 GDGB CN(c1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1)S(C)(=O)=O 409127485 CZBRXIRSAYSQBG-WOJGMQOQSA-N 375.406 1.545 50 40 GDGB O=C(COC(=O)Cc1cccc(F)c1)NNC(=O)c1cccc([N+](=O)[O-])c1 32954332 WLMDFIXUSUWHSS-UHFFFAOYSA-N 375.312 1.281 50 40 GDGB CC1=C(C#N)C(=O)NC(=O)/C1=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 16693752 WKDDBZZRMADIHU-RIYZIHGNSA-N 383.385 1.474 50 40 GDGB CCOC(=O)CS[C@H]1NC(Cl)=C(C#N)[C@](C#N)(C(N)=O)C1(CC)CC 22172491 SRVUTYKQMBPSJG-GDBMZVCRSA-N 384.889 1.988 50 40 GDGB O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)CN1CCCc2ccccc21 12554150 WXUWKBJQBNFVKI-UHFFFAOYSA-N 384.411 1.156 50 40 GDGB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccoc3C)C2=O)cc1 12849760 TUYGXMKAQSHRBA-LJQANCHMSA-N 384.392 1.125 50 40 GDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1O 5047138 WKSNFRHDTVUXDA-CNHKJKLMSA-N 396.197 1.523 50 40 GDGB CCCc1c(/C=N/NC(=O)[C@H]2CCCNC2=O)c(OC)c2c(c1OC)OCO2 15085389 ALNYYEYWAWLXKD-NLTBIBMSSA-N 391.424 1.361 50 40 GDGB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NNC(=O)c2ccccc2)CC1 40068955 PPIGTEAQIIOZGJ-INIZCTEOSA-N 387.484 1.060 50 40 GDGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 5633227 ZAEOFHNPKVDJBK-CIAFOILYSA-N 382.420 1.679 50 40 GDGB COc1cc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)ccc1OC(C)C 6887248 JSVPRFALXBQCBK-UHFFFAOYSA-N 391.468 1.940 50 40 GDGB CCc1cc2c(=O)n(CC(=O)N/N=C3\C(=O)N(C)c4ccccc43)cnc2s1 18167557 NULMZNJVHFWDCC-JWGURIENSA-N 395.444 1.517 50 40 GDGB COc1ccc(C2=C(C)OC(=N)[C@@]23C(N2CCOCC2)=NC(N)=C3C#N)cc1 78549996 JABURJRQJIABHR-FQEVSTJZSA-N 379.420 1.858 50 40 GDGB O=C(O)COc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Cl 408989396 HQUQTNMDJYPPBT-WSVATBPTSA-N 390.223 1.239 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc(OC)c1OC 1005765 FZDDGHCWRUGOFN-NWDGAFQWSA-N 380.397 1.364 50 40 GDGB O=C(NNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccccc1Br 4905132 FCFCHLRSWAYDDY-DTVLGXAZSA-N 379.210 1.733 50 40 GDGB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccoc3C)C2=O)cc1 12849766 TUYGXMKAQSHRBA-IBGZPJMESA-N 384.392 1.125 50 40 GDGB COc1ccc(/C(C)=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc1[N+](=O)[O-] 13562106 HLSGNUQOGBMMPL-IZHALTHDSA-N 396.403 1.973 50 40 GDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 363072439 MRHOHLALPFXMNZ-CYBMUJFWSA-N 398.375 1.418 50 40 GDGB O=C(NNC(=O)[C@H]1CCCO1)c1nn(-c2ccccc2)c(=O)c2ccccc12 10417919 VQFXCQIMUGVTIE-MRXNPFEDSA-N 378.388 1.326 50 40 GDGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 58951642 GQBVVCTZRPDPRZ-RGVLZGJSSA-N 398.375 1.924 50 40 GDGB CN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21 6191419 NUIPWRRTQUDVGM-NKFKGCMQSA-N 384.823 1.496 50 40 GDGB CCCCOc1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1 409252727 SKZIDMHISIRQFR-CJLVFECKSA-N 390.484 1.154 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(C)=O)cc1I 409016904 UEFAUFNSEWLXJK-MKMNVTDBSA-N 376.150 1.313 50 40 GDGB C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 958318587 KZJNKSIORXDWKH-XYQSWSQNSA-N 378.421 1.241 50 40 GDGB biogenic,in-vitro CN(CC(=O)N/N=C/c1cccc(O)c1)S(=O)(=O)c1ccc(Cl)cc1 8042758 HQFXVPJEYHKGAY-VCHYOVAHSA-N 381.841 1.816 50 40 GDGB O=C(NN[C@H]1CC(=O)N(c2ccccc2)C1=O)/C(=C/c1ccccc1)CCO 100465370 IWESXLIAYBKDFF-QCUIPMNBSA-N 379.416 1.405 50 40 GDGB CN(C)N(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 25050813 FYTTWEAQGOGIIZ-CQSZACIVSA-N 396.469 1.301 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1cccc([N+](=O)[O-])c1 409025629 VFDWNYWAXUDBKZ-VCHYOVAHSA-N 394.384 1.650 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(O)cc2)cc1C 39986749 VLIUDWRLHBCBAU-ODLFYWEKSA-N 391.449 1.480 50 40 GDGB COc1cc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)nc(OC)n1 13999103 JHMIUBCIBCIKQL-UHFFFAOYSA-N 386.817 1.472 50 40 GDGB O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)NNC(=O)c1ccccc1 8036359 WGCNIZQCIPIKPM-HNNXBMFYSA-N 387.436 1.172 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)O)c1ccccc1 4502907 AOEIMUJYQPPBQG-WOJGMQOQSA-N 375.406 1.301 50 40 GDGB O=C(CN1C(=O)COc2ccccc21)NNS(=O)(=O)c1ccccc1Cl 7404364 GPUSNOXVGJSQAT-UHFFFAOYSA-N 395.824 1.075 50 40 GDGB CN(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccc(F)cc1 6356949 SPTAZGXPRBABOD-VXLYETTFSA-N 393.396 1.295 50 40 GDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3c[nH]c4ccccc34)CC2=O)cc1 30600092 OHMWHXYEUPOXTN-ZDUSSCGKSA-N 392.415 1.991 50 40 GDGB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1 32969059 IYNXWIJSZXGCDK-MLGOLLRUSA-N 378.473 1.593 50 40 GDGB COc1cc(C(=O)N/N=C/c2c(CO)cnc(C)c2O)cc(OC)c1OC 2631807 UPWIHQCGMNODJV-DNTJNYDQSA-N 375.381 1.378 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccc2c(c1)OCO2 22903022 CRNLMYUGHNAPAX-UHFFFAOYSA-N 388.357 1.145 50 40 GDGB COc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc(OC)c1OC 3451723 YRPNHEWQGWQYSM-UHFFFAOYSA-N 388.376 1.330 50 40 GDGB CCOC(=O)[C@@H](CSC[C@H](O)CBr)NC(=O)OC(C)(C)C 4060715 GNQDJWAKAYIOFN-NXEZZACHSA-N 386.308 1.932 50 40 GDGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1OC 4476305 KEWRULUCKSCPRP-MRXNPFEDSA-N 386.360 1.376 50 40 GDGB Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)o1 5512362 RLZWVYXIDHGBHL-UHFFFAOYSA-N 391.449 1.756 50 40 GDGB CCOc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3)C(=O)N=C2O)cc1 4856092 MDQMBLBWVCWLRA-FOWTUZBSSA-N 394.387 1.691 50 40 GDGB COc1cc(/C=N\NC(=O)c2ccco2)ccc1OCC(=O)N1CCOCC1 135760733 HQJFIWXZOMWZPJ-NDENLUEZSA-N 387.392 1.290 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1O 6583764 LCWWDHHNCTUDFH-YBFXNURJSA-N 391.449 1.313 50 40 GDGB COC(=O)CCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 4589134 ZSINNRCKXWLLDP-UHFFFAOYSA-N 383.404 1.962 50 40 GDGB COC(=O)N/N=C(/C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccccc1 5808866 NVGPURSIRSECPC-BAOGPQIGSA-N 384.348 1.885 50 40 GDGB COc1cc(C(=O)N/N=C(\N)c2cc3ccccc3oc2=N)cc(OC)c1OC 12289508 ASZIKKDDUQNUOF-UHFFFAOYSA-N 396.403 1.988 50 40 GDGB Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)c1ccncc1 2246593 JFRVONUXYNLNIK-UHFFFAOYSA-N 381.417 1.994 50 40 GDGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 2520694 RKPDOYDDKNKTOZ-YAXRCOADSA-N 381.183 1.612 50 40 GDGB COc1ccc(CCN2C(=O)C[C@@H](NNC(=O)c3cccc(O)c3)C2=O)cc1 3330699 RUZFSXPJZCRBRH-QGZVFWFLSA-N 383.404 1.005 50 40 GDGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1 6327611 BLZGNILNKJFLHO-YDZHTSKRSA-N 396.447 1.357 50 40 GDGB CCOc1c(Br)cc(C(=O)NNC(=O)c2cnn(C)c2)cc1OC 8247704 PCFSZIGLFDHFTJ-UHFFFAOYSA-N 397.229 1.665 50 40 GDGB COc1ccc(NC(=S)NNC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1 8681164 CPUOGYZOOLSTPH-NSHDSACASA-N 392.441 1.996 50 40 GDGB CS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2Cl)n1 27666180 IHKPECVWBYQMLS-UHFFFAOYSA-N 389.220 1.262 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1ccc(Cl)cc1 408529598 JAHQNOSAZNMEEE-UHFFFAOYSA-N 383.857 1.842 50 40 GDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2cc(C(C)(C)C)n[nH]2)c2ccccc21 101658206 XMYATHYEWJQQRQ-QJOMJCCJSA-N 397.435 1.751 50 40 GDGB CN(C)c1ccc(N2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 6660013 CBOMUZXNAABMDC-OJVXUPTESA-N 387.914 1.593 50 40 GDGB COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)cc(OC)c1OC 30791505 UUEXATSYEVCZBU-NEIOGSCJSA-N 397.431 1.692 50 40 GDGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccccc1O 105708629 LWELIDUJYUCIJZ-QQZXWGPFSA-N 384.323 1.146 50 40 GDGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccc(O)c(O)c1 1955532 RFLYKJDOCKZJGW-VXLYETTFSA-N 397.416 1.894 50 40 GDGB O=C(CSc1nnnn1-c1ccccc1)NNC(=S)Nc1ccccc1 4708492 OHHPJYUCHORKST-UHFFFAOYSA-N 385.478 1.772 50 40 GDGB Cc1ccc(OCC(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 12885301 HBYPDVHGDKCNMT-UHFFFAOYSA-N 392.415 1.491 50 40 GDGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 886457 RYOIWAULHSEMPF-UHFFFAOYSA-N 382.449 1.739 50 40 GDGB O=C(CNC(=O)c1ccccc1Cl)NNC(=O)c1cc(-c2ccccc2)n[nH]1 7948149 LMQMCHLZARRUDW-UHFFFAOYSA-N 397.822 1.921 50 40 GDGB O=C(COc1ccc(F)cc1)NNC(=O)CSc1ccc2c(c1)OCCO2 6602002 DWQOAYSGWLGNMM-UHFFFAOYSA-N 392.408 1.915 50 40 GDGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 17329617 IQVWURIJXZEHGD-HNNXBMFYSA-N 396.403 1.971 50 40 GDGB O=C(Cc1cc(Cl)c2c(c1)OCCO2)NNC(=O)c1n[nH]c2c1CCCC2 13295492 BDZJOWVTELATJD-UHFFFAOYSA-N 390.827 1.717 50 40 GDGB O=C(/C=C/c1ccc(OC(F)F)cc1)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 32772454 LNTLOSVZHQVZOE-UXONFWTHSA-N 388.392 1.273 50 40 GDGB Cn1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c2ccccc21 40079649 QQDBYIKURMXDLA-CQSZACIVSA-N 376.416 1.992 50 40 GDGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 36020634 PQQIKEQSSUHILI-UFWORHAWSA-N 376.756 1.834 50 40 GDGB Cc1cc(C)nc(NNC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)n1 45716386 ZGFWPZZJRBJSHR-AWEZNQCLSA-N 387.366 1.293 50 40 GDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccccc2)c2ccccc21 5055106 TUKFFHIWDWCIAD-NMWGTECJSA-N 380.404 1.069 50 40 GDGB CCn1nc(C(=O)NNC(=O)CCc2c(C)noc2C)c2ccccc2c1=O 7541154 SQQJSWKSCAIESY-UHFFFAOYSA-N 383.408 1.415 50 40 GDGB NC(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 22617682 YPZUJMSFKPNLEP-JRQWYPPZSA-N 384.480 1.630 50 40 GDGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)COc1cccc(Br)c1 5620889 GCXNUSKPPOSULW-CXUHLZMHSA-N 397.189 1.520 50 40 GDGB CCn1c(=O)c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(O)c2ccccc21 100551330 QPKAKTYIEYWKNF-UHFFFAOYSA-N 396.359 1.710 50 40 GDGB Cn1cnnc1Sc1ccc(C(=O)NNC(=O)c2ccccc2)cc1[N+](=O)[O-] 2622540 ZBEJOFFOVVTNJV-UHFFFAOYSA-N 398.404 1.949 50 40 GDGB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 12756913 HRNQTUOSYZEAHP-UHFFFAOYSA-N 393.377 1.298 50 40 GDGB Cc1ccc(C(=O)NNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C)c1 14802564 UPBZPQYXKGWMTQ-VLIAUNLRSA-N 386.452 1.565 50 40 GDGB COc1ccc(C)cc1-n1nnnc1SCC(=O)NNC(=O)c1ccccc1 3446478 ALENOLIPEWLJEL-UHFFFAOYSA-N 398.448 1.533 50 40 GDGB COC(=O)COc1cccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)c1 4520378 QTJXJBGCVGSMHW-CIAFOILYSA-N 386.404 1.948 50 40 GDGB COc1ccc(Br)cc1/C=N/NC(=O)[C@H]1CCS(=O)(=O)C1 7324404 FMWMIBDHZMNKNY-HXBVQPGFSA-N 375.244 1.343 50 40 GDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc2c(c1)OCO2 408590596 PUUMNMQCKLZLPF-RGVLZGJSSA-N 398.375 1.924 50 40 GDGB CCS(=O)(=O)[C@@H](I)[C@H](O)c1cccc([N+](=O)[O-])c1 96519257 FNTUOWMMVSGIEA-NXEZZACHSA-N 385.179 1.824 50 40 GDGB COc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)ccc1O 19954655 VBIXKECZBVOHIF-YBFXNURJSA-N 391.449 1.626 50 40 GDGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCC=C)c2ccccc21 1817178 NPHURIATJWFRNB-NRFANRHFSA-N 375.384 1.631 50 40 GDGB O=C(CN1CCOCC1)N/N=C/c1cc(Br)cc(Cl)c1O 2317536 JSYQGPGCEWIOEN-FRKPEAEDSA-N 376.638 1.590 50 40 GDGB COc1ccccc1C(=O)NNC1=NC(=O)C[C@H](C(=O)Nc2ccccc2)S1 2396002 LAEIVIZPRAJBGR-OAHLLOKOSA-N 398.444 1.956 50 40 GDGB Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 7429432 VCFASKWHKBJDGN-MRXNPFEDSA-N 395.415 1.352 50 40 GDGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 13011924 HVNNDMQMIXTZFK-SJCJKPOMSA-N 397.884 1.629 50 40 GDGB N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)NCc1ccco1 20572193 DYIBFZYYPHNIQJ-VKAVYKQESA-N 394.431 1.850 50 40 GDGB O=C(NNC(=O)c1ccccc1Cl)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 32727547 SBHYMWWHRXVRPF-UHFFFAOYSA-N 386.755 1.904 50 40 GDGB O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1[N+](=O)[O-] 100572072 IAECATRMWBBERI-ZDUSSCGKSA-N 388.767 1.815 50 40 GDGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(I)cc2)n1 6427390 AECHILVDWLAISF-UHFFFAOYSA-N 398.204 1.566 50 40 GDGB CCNS(=O)(=O)c1ccc(C(=O)NNC(=S)Nc2ccccc2F)cc1 8346933 ZTWUEEHJUMUOED-UHFFFAOYSA-N 396.469 1.755 50 40 GDGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 5006573 WSEWORHNEMEBRP-FYXHJSOBSA-N 387.436 1.030 50 40 GDGB O=C1CCC(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)=NN1 6453194 DPJYDADOWGVAIH-UHFFFAOYSA-N 387.223 1.566 50 40 GDGB Cn1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1ccccc1F 6509172 FLLTWWSXEVHUEE-UHFFFAOYSA-N 375.385 1.768 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)c3ccoc3)C2)cc1 17399396 ORRGYINDEAVZHG-AWEZNQCLSA-N 391.449 1.450 50 40 GDGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(CC(=O)OC)c32)c2ccccc21 6733514 DPWWRQGBRUYWCN-HXUWFJFHSA-N 391.387 1.030 50 40 GDGB COc1cccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1O 409113628 DXTPNUODVGLCRL-WOJGMQOQSA-N 377.422 1.561 50 40 GDGB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)OC(C)(C)C 40013488 BZYZQHZWIDMFSI-CYBMUJFWSA-N 396.469 1.306 50 40 GDGB O=C(CSc1nnnn1-c1ccccc1F)NNC(=O)C1CCCCC1 4217524 MQJJIDUHOOUOQP-UHFFFAOYSA-N 378.433 1.621 50 40 GDGB O=C(CNC(=O)c1ccco1)N/N=C/c1cccc(OC(=O)c2ccco2)c1 4401891 BPVDBJLLHKBVGF-SRZZPIQSSA-N 381.344 1.972 50 40 GDGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccncc1)S(C)(=O)=O 8336290 IKFQVMMKUUZMCU-VXLYETTFSA-N 380.857 1.960 50 40 GDGB CCOc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccccc1 6355762 ACGJKKMQVKJQBT-CPNJWEJPSA-N 375.450 1.856 50 40 GDGB COc1ccc(/C=N/NC(=O)CC2=NNC(=O)C2)cc1OCc1ccccc1 101405557 OSFBXVGXWAPIQB-CIAFOILYSA-N 380.404 1.990 50 40 GDGB Cc1cc(C)nc(NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 12949043 UOIBTCKGPSRTPJ-OAHLLOKOSA-N 375.454 1.390 50 40 GDGB C#CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1Br 36123720 QRZMTYANTXOZCD-WQRHYEAKSA-N 380.242 1.243 50 40 GDGB CCS(=O)(=O)[C@H](I)[C@H](O)c1cccc([N+](=O)[O-])c1 96519256 FNTUOWMMVSGIEA-ZJUUUORDSA-N 385.179 1.824 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)c1ccc(F)cc1 5704432 RURBLTGVVKUEAS-UHFFFAOYSA-N 390.396 1.064 50 40 GDGB CC1(CC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)OCCO1 5425683 FIXLMYNROLBJHN-VIZOYTHASA-N 388.174 1.666 50 40 GDGB COc1ccc(/C(C)=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc1[N+](=O)[O-] 8781423 ZRRZWKSFZCQDGU-XDHOZWIPSA-N 395.379 1.797 50 40 GDGB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1cccnc1 9482005 NENCTAVYNUIGFL-AQTBWJFISA-N 393.403 1.556 50 40 GDGB N#CC1=C(N)n2c(s/c(=C/c3ccccc3)c2=O)=C(C#N)[C@@H]1c1ccccc1 704311 VZVPFQJNXVRHOJ-WAGPWIPHSA-N 382.448 1.861 50 40 GDGB O=C(S[C@H]1CS(=O)(=O)C[C@H]1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16789882 KADSCQQMQWILPO-ZJUUUORDSA-N 380.787 1.781 50 40 GDGB Cc1cc(C)n2ncc(C(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)c2n1 45140473 QUGLYEPMLHTPQT-UHFFFAOYSA-N 375.392 1.811 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccnc3)CC2)cc1 705521 VNEAIHVMTDEIPY-KGENOOAVSA-N 386.477 1.941 50 40 GDGB CN(C)c1ccc(N2/C(=N/C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 6660018 CBOMUZXNAABMDC-RGHHBTPQSA-N 387.914 1.593 50 40 GDGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1O 38185332 GUWRDXKOVXWZOP-REZTVBANSA-N 385.340 1.127 50 40 GDGB CCCc1c(C(=O)N/N=C/c2ccccc2OCC)nnn1-c1nonc1N 2447244 UIRPCHVQJWWUFG-VXLYETTFSA-N 384.400 1.348 50 40 GDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1cccnc1 13788420 BOWYIUIARMASMK-DJKKODMXSA-N 395.408 1.510 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 16148645 KIJPBVMULNPYQX-UHFFFAOYSA-N 383.313 1.086 50 40 GDGB Cc1ccc(N2C(=O)N=C(O)/C(=C\NNC(=O)c3ccncc3)C2=O)cc1C 5025957 HMUAUSISSNDRLR-XNTDXEJSSA-N 379.376 1.940 50 40 GDGB Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@H](NC(N)=O)C(C)C 27202349 SGGAMEAXNVPZIP-DGCLKSJQSA-N 384.864 1.564 50 40 GDGB CC(C)c1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)cc1 55150102 VPPPDGFDIXAZHL-UHFFFAOYSA-N 380.514 1.774 50 40 GDGB COc1cc(CC(=O)NNC(=O)COc2ccccc2C)cc(OC)c1OC 12806858 CTNPSXVOXOHCFH-UHFFFAOYSA-N 388.420 1.790 50 40 GDGB CCOc1ccccc1OCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 3400823 BWUDWMQIHQMERS-UHFFFAOYSA-N 382.376 1.162 50 40 GDGB Cc1nc2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2nc1C 13001457 PPLYLMNNGRKZDP-SFHVURJKSA-N 378.388 1.848 50 40 GDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccn1 17329046 JLKYWBRKFCXVCO-LLVKDONJSA-N 392.337 1.915 50 40 GDGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccccc2C(F)(F)F)n1 7386808 WIHQZRJAAJZNRT-UHFFFAOYSA-N 376.360 1.528 50 40 GDGB COc1cc2cc(C)c3nnc(SCC(=O)NNC(C)=O)n3c2cc1OC 877360 KFIHZSJXHYQMSJ-UHFFFAOYSA-N 389.437 1.468 50 40 GDGB NC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 8188243 YPZUJMSFKPNLEP-HQHQJUQOSA-N 384.480 1.630 50 40 GDGB N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2F)c2ccccc21 6140315 IGYHRELEGHTPQX-BWAHOGKJSA-N 393.378 1.336 50 40 GDGB Cc1nc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nn1-c1ccc(F)cc1 32808612 GLIWHNJMGLFSAQ-INIZCTEOSA-N 397.366 1.316 50 40 GDGB Cc1cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1CCCl 10104397 DKQOKKVMINZLBR-UHFFFAOYSA-N 389.818 1.884 50 40 GDGB CCn1c(=O)n(CC(=O)NNc2nc(-c3ccncc3)no2)c2ccccc21 58358082 KHIBWJXNDOMYHQ-UHFFFAOYSA-N 379.380 1.411 50 40 GDGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)CNC(=O)c2ccccc2)cc1 33028723 AFQUCSALZPZCAJ-UHFFFAOYSA-N 383.448 1.940 50 40 GDGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 59488448 DPXGNXXPTHWEAB-CIAFOILYSA-N 388.468 1.349 50 40 GDGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 25359008 JXTJMNUXAWEFSW-HNNXBMFYSA-N 381.498 1.559 50 40 GDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc3cccnc23)c1 14242271 UMVXXHHYGDORIB-UHFFFAOYSA-N 398.444 1.560 50 40 GDGB COc1cc(OC)cc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1 18271362 LVXSJKVQGHIRIV-MRXNPFEDSA-N 387.367 1.409 50 40 GDGB COC(=O)/C(=N\Nc1sc(C(=O)OC)c(C)c1C(=O)OC)C(=O)CCl 16756617 PWATYSLYUOTHAI-SXGWCWSVSA-N 390.801 1.379 50 40 GDGB O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)N[C@@H]1CCc2c(Cl)cccc21 56900806 MPFTVRBJLKPKTI-IINYFYTJSA-N 385.873 1.483 50 40 GDGB COc1ccccc1/C=N/NC(=O)C(=O)N1CCN(c2ccccc2OC)CC1 2174036 VPXHSHWSSBGWKS-PXLXIMEGSA-N 396.447 1.503 50 40 GDGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc(O)cc1 8993306 VDSNUHSRHKCRGL-AQTBWJFISA-N 382.420 1.229 50 40 GDGB Cc1ccccc1S(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2cccnc2)C1 12346418 APLRFVQGSIUZMD-VYVDHXHBSA-N 386.477 1.941 50 40 GDGB Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)c1cccnc1 2249440 WMLZQUQJRRRZFI-UHFFFAOYSA-N 381.417 1.994 50 40 GDGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)c(Br)cc1O 19851799 DRXXTKPKUHOCKP-RQZCQDPDSA-N 386.246 1.336 50 40 GDGB COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(C)cc3)C2=O)c1 408537034 UKMHWIYSCMSYQD-BTZNOAQDSA-N 394.387 1.618 50 40 GDGB O=C(O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3cc([N+](=O)[O-])ccc3OC(=O)[C@@H]21 29748608 XIPVJQCDBDFGPS-KHQFGBGNSA-N 380.359 1.571 50 40 GDGB Cc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)cc1Cl 409185021 PPFFFNXBIDOIEC-VXLYETTFSA-N 380.857 1.960 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccco3)CC2)cc1 36154296 MOOUDNKMQXRFEY-UYRXBGFRSA-N 390.465 1.045 50 40 GDGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1ccc(C)o1 3115974 MRPBOLZGEVZHEX-FRKPEAEDSA-N 378.297 1.942 50 40 GDGB O=C(COC(=O)CCC(=O)c1cccs1)NNC(=O)c1ccccc1F 2635592 OQMCWIBGXUIIQL-UHFFFAOYSA-N 378.381 1.855 50 40 GDGB COc1ccccc1/C=N/NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 20060236 HLZYUFWZJICROE-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccccc1F 18193290 HBOWGNACUCMUPJ-NPNVKNKFSA-N 384.392 1.605 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(F)c(F)c1F)c1cncn1-c1ccccc1 7131795 PYICVKPRVZTGRP-UHFFFAOYSA-N 396.350 1.913 50 40 GDGB N#Cc1ccnc(Nc2nc([C@@H]3CCCN3Cc3ccc(B(O)O)o3)cs2)c1 585295377 XEBCGYLTGZLUNO-HNNXBMFYSA-N 395.253 1.763 50 40 GDGB O=C(O)CCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H](Br)[C@@H]3Br 4017423 FHBPPJNBSKRQRH-FBPQAGELSA-N 395.047 1.239 50 40 GDGB Cc1nc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)nn1-c1ccc(F)cc1 13000366 DQDHWDBFTKENEB-UHFFFAOYSA-N 383.339 1.518 50 40 GDGB O=C(CN1CCN(C(=O)NNC(=O)c2ccccc2)CC1)Nc1ccccc1 36392696 MLELJCJFPQXXQR-UHFFFAOYSA-N 381.436 1.297 50 40 GDGB CC1=NN(c2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2)CC1 42213517 WGWSYQSEEXRGAH-SFHVURJKSA-N 380.404 1.874 50 40 GDGB CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1 226564253 QQFLDXGDTBDXIK-FPCVCCKLSA-N 376.409 1.505 50 40 GDGB Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c1 28659747 MCYNEYDEYFTREM-INIZCTEOSA-N 399.447 1.975 50 40 GDGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cc(OC)cc(OC)c3)C2=O)cc1 100183283 JBLMSMDLKCPBDG-QGZVFWFLSA-N 399.403 1.279 50 40 GDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 6579905 MHVYCIMUUFSLTL-LPYMAVHISA-N 385.420 1.487 50 40 GDGB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 6188411 JCMAKQCELTWEDM-UHFFFAOYSA-N 396.447 1.054 50 40 GDGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccc(-n2cnnn2)cc1 6509421 RQWWSRAFYQWEKU-UHFFFAOYSA-N 375.392 1.537 50 40 GDGB CNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 9744960 TTYRFNZOTMDSEB-UHFFFAOYSA-N 399.432 1.060 50 40 GDGB C[C@@]1(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1(Cl)Cl 10863768 PBNVDIBHUHDECJ-ZDUSSCGKSA-N 390.179 1.483 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 20060238 WGUPKAPLURAFSL-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB Cc1cc(C)n2ncc(C(=O)NNC(=O)CN3CCCc4ccccc43)c2n1 40069142 AHZZTJRUBXERSY-UHFFFAOYSA-N 378.436 1.560 50 40 GDGB COc1ccc(OC)c(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c1 5720293 YFRXWDCUGXARPY-WOJGMQOQSA-N 377.422 1.132 50 40 GDGB CC1=C(C#N)[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1 4127393 QYZGDIUFRFBDCL-GFCCVEGCSA-N 379.747 1.847 50 40 GDGB COc1cccc(-n2c(SCC(=O)NNC(C)=O)nnc2-c2ccccn2)c1 1362516 LQOXUCHTEAYCGW-UHFFFAOYSA-N 398.448 1.597 50 40 GDGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 3281969 UKDUJQXOQXMSAV-BLLMUTORSA-N 385.258 1.689 50 40 GDGB CCOc1cc(/C=N/NC(N)=O)ccc1OS(=O)(=O)c1ccc(OC)cc1 408925892 UROSVJXBQLOCNH-YBFXNURJSA-N 393.421 1.864 50 40 GDGB O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)c1ccccc1Br 14245491 LKSBRMGGOWVYDL-UHFFFAOYSA-N 394.200 1.779 50 40 GDGB O=C(CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)NC[C@@H]1CCCO1 4681203 MRVAKQAEBVMCDM-ZDUSSCGKSA-N 387.358 1.542 50 40 GDGB COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccccn1 5172190 YAQXGWAJWJIWSN-AWQFTUOYSA-N 391.225 1.733 50 40 GDGB O=C(O)CCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 2317475 FHBPPJNBSKRQRH-SDUMUPIASA-N 395.047 1.239 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 6497033 HBJVZBDBKKEDAV-FSJBWODESA-N 396.447 1.907 50 40 GDGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccccc1C(=O)O 1022773 YOOYSTGZGSVLHO-DJKKODMXSA-N 384.783 1.842 50 40 GDGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 408719192 LQLLYOWWYDHXAP-UDWIEESQSA-N 377.441 1.189 50 40 GDGB Cc1ccc(NC(=O)NNc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1 408726748 VCMSBSDKVGJHQT-UHFFFAOYSA-N 398.471 1.765 50 40 GDGB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/NNC(=O)c1ccncc1 4811547 FDSOLFPDKUXAGI-UKTHLTGXSA-N 385.767 1.136 50 40 GDGB Cc1ccccc1N1C(=O)/C(=C\NNC(=O)c2ccncc2)C(O)=NC1=S 34236222 UAVTVHKIXUPWIT-RAXLEYEMSA-N 381.417 1.797 50 40 GDGB O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1cccc(S(=O)(=O)N2CCOCC2)c1 38374173 RWKCHDSTBUJWCI-NHLKGQDTSA-N 375.450 1.389 50 40 GDGB CCN(CC)C(=O)C(=O)N/N=C(\C)CC(=O)NC1C2CC3CC(C2)CC1C3 4691340 QBFWIHJBRVNDAR-WSDLNYQXSA-N 376.501 1.678 50 40 GDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 5704240 ZWWKZFYWYVUBQB-NSHDSACASA-N 384.367 1.301 50 40 GDGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)cc1 20210635 OACXTEJAGQAYPH-XDHOZWIPSA-N 376.438 1.397 50 40 GDGB CNS(=O)(=O)c1ccccc1C(=O)N/N=C/c1ccc(OC)c(OC)c1 852590 XKFYHRGZLNEUKA-YBFXNURJSA-N 377.422 1.376 50 40 GDGB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)C2CC2)CC1 1345786 CQXGQZFYHUQHNI-UHFFFAOYSA-N 399.900 1.607 50 40 GDGB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3cc(C)oc3C)C2=O)cc1 12853032 FMVGUAYEAQCCFA-HXUWFJFHSA-N 398.419 1.433 50 40 GDGB CC(C)n1nc(C(=O)NNC(=O)COc2ccccc2)c2ccccc2c1=O 15945788 QXKHSXRBNMNIBI-UHFFFAOYSA-N 380.404 1.817 50 40 GDGB COc1ccc(CN2C(=O)N=C(O)/C(=C/NNC(=O)c3ccncc3)C2=O)cc1 38168246 XVHABBHIPRXOBH-GDNBJRDFSA-N 395.375 1.327 50 40 GDGB O=C(NNC(=O)c1cccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 891457 XYJJHYNEGXBUOK-UHFFFAOYSA-N 393.490 1.998 50 40 GDGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CC2)c1 3549881 ARTOZMLFCDENMN-UHFFFAOYSA-N 389.433 1.667 50 40 GDGB CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 19953995 LAWQLQNPCWRVLD-XDHOZWIPSA-N 389.433 1.528 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 6610090 WJCRMPHCQMOQTK-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Br)c1)C(C#N)=C(N)N2 409080789 OFOZAMZHRVRPCI-LLVKDONJSA-N 388.225 1.098 50 40 GDGB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=O)c1ccccc1O 12863353 PWNQXOILXSPOJK-UHFFFAOYSA-N 389.717 1.687 50 40 GDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNc2ccc(C)cc2)c2ccccc21 13617916 UYMCCFDVMZDOTD-GFMRDNFCSA-N 394.431 1.837 50 40 GDGB CCOc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1 5205712 VGTATXLUCZPONI-XDHOZWIPSA-N 376.438 1.397 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1OC 6544410 UKXULVMYTXPOMG-XDHOZWIPSA-N 391.449 1.475 50 40 GDGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 104204999 MOVLFNAYKDPTRE-KVNDZABWSA-N 377.828 1.963 50 40 GDGB CSc1nc2nc(C)c(CCC(=O)NNC(=O)c3ccccn3)c(C)n2n1 17329170 NNDAOQATLVBHJM-UHFFFAOYSA-N 385.453 1.252 50 40 GDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21 5903792 NJIWJXVEVMDODH-CLCOLTQESA-N 398.850 1.886 50 40 GDGB Cc1ccsc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 32999891 RMDQUSQOODUGJL-UHFFFAOYSA-N 393.490 1.916 50 40 GDGB N#Cc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 3085467 WRVGTJINSVHJCU-QGMBQPNBSA-N 385.292 1.609 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1OCCC(C)C 12941556 CLBMKOKZZQJLME-AWEZNQCLSA-N 398.481 1.316 50 40 GDGB CCn1cc(S(=O)(=O)NNC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)cn1 71283378 VMYXTAPKLPXNFH-UHFFFAOYSA-N 392.481 1.559 50 40 GDGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)C(=O)N1CCCC1 100059492 QBVXTDVLMKXSCE-YBFXNURJSA-N 395.257 1.892 50 40 GDGB COc1ccc(N2C[C@H](C(=O)NNc3nc(C)cc(C)n3)CC2=O)cc1OC 30625380 IHAPHVGADUCNEK-CYBMUJFWSA-N 385.424 1.607 50 40 GDGB C/C(N)=C(\C#N)C(=O)CSc1nnc(SCC(=O)/C(C#N)=C(/C)N)s1 104766594 JFOKTGMUJUYJHT-XOHWUJONSA-N 394.507 1.373 50 40 GDGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@H]1c1ccccc1 409135767 QZYWNIZDDXNXOA-IAGOWNOFSA-N 399.472 1.780 50 40 GDGB O=C(N/N=C/c1ccc(O)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 6496058 IDRIMLDQAUDCHH-XSFVSMFZSA-N 387.461 1.943 50 40 GDGB O=C(CNC(=O)c1cccnc1)N/N=C/c1cc(Br)ccc1O 18192927 UTWBSJMAUXXOQL-UFWORHAWSA-N 377.198 1.430 50 40 GDGB COc1ccccc1C(=O)NCC(=O)NNC(=O)c1oc2ccccc2c1C 6786734 HYZVBZKLKSMHQZ-UHFFFAOYSA-N 381.388 1.941 50 40 GDGB CSc1nc(C)c(CCC(=O)NNC(=O)Cn2nc(C)cc2C)c(C)n1 8300850 WEYKMYSRLWDKGE-UHFFFAOYSA-N 376.486 1.409 50 40 GDGB COc1cc(C(=O)NNC(=O)c2cc(=O)[nH]c3ccccc23)cc(OC)c1OC 12950563 HUACOMORFLWFIQ-UHFFFAOYSA-N 397.387 1.629 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 6584669 DTHCGAYFLUYOBS-WOJGMQOQSA-N 390.421 1.507 50 40 GDGB COc1ccc(CC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 669854 IAQAINCIORHADW-UHFFFAOYSA-N 395.393 1.164 50 40 GDGB Cc1cc(C)nc(NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1 12983378 WFBKTVXICOWBIQ-UHFFFAOYSA-N 383.861 1.511 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)CC(C)C)C2)cc1 8352068 XOEUGFABOGAJMX-OAHLLOKOSA-N 381.498 1.589 50 40 GDGB Cn1ncnc1C(=O)N1CCC2(CC1)CO[C@@H](CI)C2 2056225914 FLNFUYBAUJHDIM-SNVBAGLBSA-N 390.225 1.261 50 40 GDGB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(C)cc2)C1=O 408529682 CVMJASVUMCRZPT-VPNURPJOSA-N 394.387 1.618 50 40 GDGB C[C@]1(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1(Cl)Cl 21343089 KOLHOEXZECFZBA-GFCCVEGCSA-N 379.269 1.325 50 40 GDGB CCc1ccc(OCC(=O)NNC(=O)Cn2cnc3ccccc3c2=O)cc1 3450698 YIXOCKNPSDLSMH-UHFFFAOYSA-N 380.404 1.185 50 40 GDGB Cc1ncc(CO)c(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)c1O 6369359 YDCFQNWGKGUMHW-OEAKJJBVSA-N 397.479 1.250 50 40 GDGB CC(=O)N[C@H](CCCCNC(=O)NCCCl)C(=O)NCc1ccccc1 5663227 BNDQJOKGSNLGRU-MRXNPFEDSA-N 382.892 1.516 50 40 GDGB COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCC(=O)N1CCOCC1 7893323 BMXZTKHVBGMIFS-LPYMAVHISA-N 398.419 1.092 50 40 GDGB COc1cc(C(=O)NNC(=O)COC(=O)c2cccs2)cc(OC)c1OC 14201546 JZXPOZXOGCIFDU-UHFFFAOYSA-N 394.405 1.392 50 40 GDGB COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1O 409149849 SKLFGKXJIUDBBG-FBCYGCLPSA-N 388.336 1.600 50 40 GDGB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 3060621 LQUNWKQWBVIUQH-RQZCQDPDSA-N 396.812 1.677 50 40 GDGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc2c(c1)OCO2 705733 XFZRTVOEDVBQLO-UFWORHAWSA-N 384.783 1.873 50 40 GDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1nc(-c2ccncc2)no1 22316660 VKBJTUWTWSKXIT-LBPRGKRZSA-N 399.382 1.818 50 40 GDGB O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)COc1cccc(F)c1 6909560 JHLUVEILXXJZOF-UHFFFAOYSA-N 384.367 1.221 50 40 GDGB CCOC(=O)/C=C/C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 5952684 OOORWYHUJZDNHJ-MDZDMXLPSA-N 381.816 1.634 50 40 GDGB COc1ccc(-n2nc(C(=O)N/N=C/c3ccccn3)c(C)c(C#N)c2=O)cc1 409057800 MIHZOZDSBBANCU-FSJBWODESA-N 388.387 1.580 50 40 GDGB COc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408537508 VTPRRHRSCSCADA-WVISFHDSSA-N 398.350 1.449 50 40 GDGB CCCn1nc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(OCC)cc2)ccc1=O 23568811 CVJXVYVNYSJVSU-CYBMUJFWSA-N 388.424 1.281 50 40 GDGB CCCc1c(C(=O)N/N=C/c2cc(F)ccc2F)nnn1-c1nonc1N 2453164 ZBLUALSQFDHAMA-FBCYGCLPSA-N 376.327 1.227 50 40 GDGB COc1ccccc1/C=N/NC(=O)CC(=O)NCCc1ccc(OC)c(OC)c1 59515298 AQAGSNLICDUTJN-OEAKJJBVSA-N 399.447 1.912 50 40 GDGB COc1ccc(CC(=O)NNC(=O)COCC(=O)N[C@@H](C)c2ccccc2)cc1 4696086 ABRDRVHGYNTARP-HNNXBMFYSA-N 399.447 1.279 50 40 GDGB COC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CCCC2=O 4517058 NETJXPAAHUQXCQ-FQEVSTJZSA-N 379.372 1.033 50 40 GDGB CN(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(F)cc1 6544802 CDWKSQPHTPVHAG-VCHYOVAHSA-N 394.384 1.505 50 40 GDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(F)cc2)cc1OC 6583058 DGDVMYXFTJXUGG-VXLYETTFSA-N 395.412 1.272 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)c1cccc(F)c1 409132407 ZRJOZGNEJUTACL-VXLYETTFSA-N 393.396 1.440 50 40 GDGB O=C(/C=C/c1ccccc1OC(F)F)NNC(=O)C(=O)NCc1ccco1 12772430 SBYRJCAJELNPNA-BQYQJAHWSA-N 379.319 1.358 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 19954635 GVFYLVMGRUGTAT-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2ccco2)c1C 8238406 ISXREOUPSYRDBI-AWEZNQCLSA-N 393.465 1.641 50 40 GDGB O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1cccnc1 9949366 HEPMKVSQMLGYQD-UHFFFAOYSA-N 391.225 1.425 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C 6868108 MCSSOSKVDJVNNW-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB CO[C@@H]1[C@@H](C2C(C#N)=C(N)SC(N)=C2C#N)O[C@H]2OC3(CCCCC3)O[C@@H]21 20840677 VQNWGPRGHHAATM-WBOJAVRRSA-N 390.465 1.553 50 40 GDGB COc1ccc(OCC(=O)N/N=C/c2ccc(OC)c(OC)c2C(=O)O)cc1 2276756 WNCJOZQZOVMYSU-KEBDBYFISA-N 388.376 1.940 50 40 GDGB CCn1nc(C(=O)NNC(=O)[C@H](C(C)C)N2CCCC2)c2ccccc2c1=O 48367420 PAXDSFULLGCPKY-KRWDZBQOSA-N 385.468 1.298 50 40 GDGB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNc1cc(C(=O)O)ccc1Cl 18179414 SMRMMSSSFKVWKY-TXEJJXNPSA-N 391.811 1.823 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2)c1-c1cccs1 2448339 DOANPVREWCPYSP-GIJQJNRQSA-N 380.393 1.725 50 40 GDGB CCOc1ncccc1C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 17189527 PATPVFVOWSQPGL-UHFFFAOYSA-N 381.392 1.285 50 40 GDGB CN(C)N(C(=O)CCc1nc(-c2ccc(F)cc2)no1)[C@H]1CCS(=O)(=O)C1 12748309 RXQVEYFAEJBJEJ-AWEZNQCLSA-N 396.444 1.301 50 40 GDGB Cc1cc(C)n2nc(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nc2n1 2182100 ZCUUWASTIWNPDT-CAOOACKPSA-N 385.409 1.892 50 40 GDGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1ccc(O)cc1 408732125 SICGKLXCVUBHHX-OMCISZLKSA-N 388.236 1.679 50 40 GDGB N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccs2)c2ccccc21 6231314 RHFQKKGRVWSIAE-QJOMJCCJSA-N 395.444 1.649 50 40 GDGB CC[C@H](NNC(=O)CN1C(=O)COc2ccccc21)C(=O)Nc1ccccc1 9689672 ZJHLSBVQGAFXCW-HNNXBMFYSA-N 382.420 1.450 50 40 GDGB O=C(CCN1C(=O)S/C(=C/c2ccccc2)C1=O)NNC(=O)c1cccnc1 1207693 KKXIIGMFNGKTOS-RVDMUPIBSA-N 396.428 1.969 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(OC)c2)cc1 6356946 WNTYUMFFLNAZRY-XDHOZWIPSA-N 391.449 1.475 50 40 GDGB CCCOCC[C@@H](CCl)OC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 59568390 YGHFYZCFORVIPI-GARJFASQSA-N 378.343 1.706 50 40 GDGB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NNC(=O)c1ccc(Cl)cc1 27063570 RYDTVUKMGANXAT-YDHLFZDLSA-N 396.900 1.827 50 40 GDGB COc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1Cn1nnc2ccccc21 4786230 RIEMXMONGMSMLJ-SRZZPIQSSA-N 375.392 1.975 50 40 GDGB Cc1ccc(OCC(=O)N/N=C/C=N/NC(=O)COc2ccc(C)cc2)cc1 18324522 MVLABYPAEWMXBJ-XHQRYOPUSA-N 382.420 1.965 50 40 GDGB Cc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1 19954470 SZZDZBUVUKRWJU-WOJGMQOQSA-N 390.421 1.820 50 40 GDGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCC=C)=C1C 4517101 NQJJGXNDKNNGEO-NRFANRHFSA-N 375.384 1.489 50 40 GDGB CCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccccc1OCCC 12137343 JWORUJYGNZNWBV-UHFFFAOYSA-N 395.481 1.844 50 40 GDGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(Br)cc1 13944047 YLSOOQJUTVBJTM-VXLYETTFSA-N 399.245 1.032 50 40 GDGB CCc1[nH]nc(C(=O)NNS(=O)(=O)c2ccc3c(c2)N=C(O)CS3)c1C 71283518 UGAMBEMBKLTPDF-UHFFFAOYSA-N 395.466 1.598 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccncc2)cc1C 39986747 BKKAHCVTNIHXQW-ODLFYWEKSA-N 376.438 1.169 50 40 GDGB COc1cc(/C=N/NC(=O)CCc2ccc(O)c(O)c2)ccc1OCC(N)=O 662542 YJVZKKKZCIUXNN-UFFVCSGVSA-N 387.392 1.053 50 40 GDGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3)c2=O)=C(C#N)[C@H]1c1ccccc1 704310 VZVPFQJNXVRHOJ-LOHYDARVSA-N 382.448 1.861 50 40 GDGB Cn1c(N/N=C\c2ccc(N(CCCl)CCCl)cc2)cc(=O)n(C)c1=O 104394297 JQZDSZGPCLENPS-NDENLUEZSA-N 398.294 1.814 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 59434172 BWWNIEGCZXAHAD-YBFXNURJSA-N 384.348 1.860 50 40 GDGB COc1cccc(CC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 5985490 LTCCPIKYNXCBQJ-UHFFFAOYSA-N 387.348 1.150 50 40 GDGB O=C(O)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1 138944532 LFXWJZFKSJXBCY-HKLHZYFVSA-N 380.194 1.894 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc(OC)c1OC 1005768 FZDDGHCWRUGOFN-NEPJUHHUSA-N 380.397 1.364 50 40 GDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CNC(=O)Cc1cccc(F)c1 46902933 CNOCTFKPLKPNTF-GFCCVEGCSA-N 391.374 1.238 50 40 GDGB O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1COc2ccccc2O1 3360556 ZFCPXKLPFPEBTB-QAPCUYQASA-N 395.415 1.023 50 40 GDGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1)Nc1ccc(F)cc1 409259194 XWZVUKYQZMHGAA-SSDVNMTOSA-N 398.394 1.572 50 40 GDGB O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)NC[C@@H]1CCCO1 28214951 APOCGKBMACDXDE-KCDOPAPYSA-N 382.420 1.520 50 40 GDGB O=C(C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1ccc(F)c(F)c1 14134913 FRBPUCKKUPVQID-DVJAICMQSA-N 396.357 1.641 50 40 GDGB CN(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 12750197 CYKVKUKNANDZLJ-UHFFFAOYSA-N 382.269 1.221 50 40 GDGB COc1ccccc1NCC(=O)N/N=C1/CCS(=O)(=O)c2ccc(F)cc21 33504670 ZZDSZEMRSWOIMX-STZFKDTASA-N 391.424 1.944 50 40 GDGB COc1cc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)cc(OC)c1OC 1081782 MEODNQOGFVVKJK-DJKKODMXSA-N 384.396 1.531 50 40 GDGB Cc1c(C(=O)N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)sc2ncnc(N)c12 408972777 DSWZYCJKXQMWSR-RMOCHZDMSA-N 388.365 1.665 50 40 GDGB COc1ccc2c(c1)/C(=N/NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N2 43059018 WFECUOPKYCRNDQ-UHFFFAOYSA-N 385.376 1.807 50 40 GDGB Cc1ccc(SCC(=O)NNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 25600500 CSYLKKZJGVOUDQ-AWEZNQCLSA-N 385.511 1.049 50 40 GDGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 2173196 IUYIOPHGKYSWAS-ZVBGSRNCSA-N 388.811 1.601 50 40 GDGB O=C(O)[C@@H]1C[C@H](Cl)[C@@H](S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)O 6668754 LPWQPFFRSHPQJB-WYUUTHIRSA-N 391.785 1.540 50 40 GDGB CCc1ccccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1 408646408 OWXZHHWZFXGCET-UHFFFAOYSA-N 397.431 1.972 50 40 GDGB O=c1c(S(=O)(=O)c2ccccc2)cnc2n1C[C@@H](CBr)S2 28405461 LTRRAYHISQUBAI-SECBINFHSA-N 387.280 1.945 50 40 GDGB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccccc1 8433744 JXDOQSXEBXZYJY-UHFFFAOYSA-N 397.431 1.972 50 40 GDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc1 2257210 JYZDDKZSQSMGTA-GOSISDBHSA-N 380.448 1.945 50 40 GDGB CCCCCn1nc(C(=O)NNC(=O)C2=COCCO2)c2ccccc2c1=O 17397872 FOIGESHRTHYOIG-UHFFFAOYSA-N 386.408 1.236 50 40 GDGB C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 58873007 KHNXYANYYPGISZ-UCQKPKSFSA-N 394.431 1.847 50 40 GDGB O=C1N=C(O)N(c2ccccc2F)C(=O)/C1=C\NNC(=O)c1ccccc1O 2323893 WPFODSCKJJLNGU-LUAWRHEFSA-N 384.323 1.137 50 40 GDGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(C)(=O)=O 6021396 VUCVSOXIJJFAPO-CPNJWEJPSA-N 391.449 1.707 50 40 GDGB CCS(=O)(=O)[C@@H](I)[C@H](O)c1ccc([N+](=O)[O-])cc1 96519245 ALWLLQIBCUYGTF-NXEZZACHSA-N 385.179 1.824 50 40 GDGB Cc1cc(C(=O)NP(=O)(N2CCOCC2)N2CCOCC2)c(C)n1C1CC1 17595941 WEQSEDFYMPYUEV-UHFFFAOYSA-N 396.428 1.942 50 40 GDGB COc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 5514959 VZVQIVPNYPZUCH-LPYMAVHISA-N 385.420 1.521 50 40 GDGB COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 4570665 OPBJKIJAGQXFNS-KRWDZBQOSA-N 395.415 1.808 50 40 GDGB COc1cccc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@@H]2C)OCO4)c1O 1642725 JAONDLJNKHLARC-COJQNKITSA-N 387.392 1.789 50 40 GDGB Cc1cccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)c1 7939966 CJFITFSOMRXRAU-UHFFFAOYSA-N 383.404 1.718 50 40 GDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(F)cc1 6338161 FTDIOCOBXQMPOD-ZDUSSCGKSA-N 399.378 1.411 50 40 GDGB COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1 5513070 OIYDNRPULDEBEY-ZVBGSRNCSA-N 385.376 1.313 50 40 GDGB O=C(CCC(=O)N1CCOCC1)NNC(=O)c1cc2cc(Cl)ccc2[nH]1 199414780 UMKMZOPGXIAEEE-UHFFFAOYSA-N 378.816 1.221 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(CC)cc2)c1 8086146 MKMLMBLGLSBRHI-YDZHTSKRSA-N 396.447 1.853 50 40 GDGB O=C(N/N=C1/CCc2ccccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 33580039 NIDVKDQFSGYNCC-VZCXRCSSSA-N 399.472 1.788 50 40 GDGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccccc1C#N 12745100 YLPLWQCOKNSSOU-UHFFFAOYSA-N 383.227 1.283 50 40 GDGB COCCNC(=O)/C(C#N)=C/c1c(N2CCCCC2)nc2ccccn2c1=O 2203316 VCCZGVWQLHLOPH-FYWRMAATSA-N 381.436 1.354 50 40 GDGB O=C(NNC1=NS(=O)(=O)c2ccccc21)c1cccc(Br)c1 4681982 WPLRJJDVPZUUCM-UHFFFAOYSA-N 380.223 1.833 50 40 GDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccccc2C)cc1 5023248 GEKGJNJZDSKWAD-UHFFFAOYSA-N 392.433 1.560 50 40 GDGB O=C(NNC(=O)[C@@H]1CC=CCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 14244363 RTVXDUFKWHGMAI-CQSZACIVSA-N 377.466 1.588 50 40 GDGB COc1ccc(OCC(=O)NNS(=O)(=O)c2cccc3nsnc23)cc1 19079118 SWGDLQAORDKRTK-UHFFFAOYSA-N 394.434 1.088 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)cc1 20060386 UYMLNRVDRMUTDN-YBFXNURJSA-N 379.413 1.751 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 8369952 PIXDAIQHOGGGRG-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 3127831 MEYLYHIDFDISBG-NSHDSACASA-N 379.203 1.609 50 40 GDGB C[C@H](Br)CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 4314056 NZAGOZLDUKZZMA-YFKPBYRVSA-N 380.040 1.359 50 40 GDGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1 8571334 ZTMWTPVUNTYQOF-WSDLNYQXSA-N 396.447 1.987 50 40 GDGB COc1ccccc1-n1nc(C(=O)N/N=C\c2ccco2)c(C)c(C#N)c1=O 409054242 IJTBKSKZLXNOED-NHDPSOOVSA-N 377.360 1.778 50 40 GDGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc(Br)cc1 409377842 LKXHRZSHWOLMNC-YMEQNVIZSA-N 395.209 1.254 50 40 GDGB O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NNC(=O)c1ccccc1 6062140 JLNGFJZNVWIPLS-UHFFFAOYSA-N 377.740 1.866 50 40 GDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(N(C)C)cc1 100958946 JYGREINPOAVZJW-KFXAOSDLSA-N 399.472 1.532 50 40 GDGB C[C@@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)S(C)(=O)=O 5880751 XJHVZJIUPFHVEX-HTMJNSLASA-N 390.421 1.900 50 40 GDGB Cc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c(C)o1 9314966 CFJZBDQBUKJUPD-UHFFFAOYSA-N 379.438 1.253 50 40 GDGB COc1cc(/C=N\NC(=O)c2nonc2N)c(Br)cc1OC(C)=O 5481169 WLZKHLXXBQZOCW-BNCCVWRVSA-N 398.173 1.112 50 40 GDGB N#Cc1ccc(CS(=O)(=O)CC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 40128384 XNUFRQFGZBAWAG-UHFFFAOYSA-N 391.836 1.588 50 40 GDGB CC(C)c1ccc(OCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 12822465 JFTOVQBMRNVLEV-UHFFFAOYSA-N 394.431 1.897 50 40 GDGB CCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@H](C)C2)nc2ccccn2c1=O 13122044 OKNLSSREDKFVFW-VFZVMDJNSA-N 381.436 1.351 50 40 GDGB CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 6509601 OIBIKQDTIXBDJM-UHFFFAOYSA-N 398.444 1.696 50 40 GDGB Cc1cc(C(=O)NNC(=O)c2ccc(C)c(I)c2)[nH]n1 4678660 WLMDXBKCIFEVDE-UHFFFAOYSA-N 384.177 1.706 50 40 GDGB O=C(NNS(=O)(=O)c1cccc(Br)c1)c1ccc2c(c1)OCO2 7428741 FRNGSGWQDAKLBB-UHFFFAOYSA-N 399.222 1.801 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408536131 PUYHRLASJDTXSV-XYHOIZSOSA-N 378.388 1.918 50 40 GDGB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(Br)o1 2676422 HYHNETQIMAOEQH-REZTVBANSA-N 395.169 1.830 50 40 GDGB COc1ccc(CN2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 101318584 JQMXTRCHNWNODS-LTUGMUNRSA-N 388.898 1.531 50 40 GDGB CN(c1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 12985393 LKFUZVULTILZHX-UHFFFAOYSA-N 392.393 1.065 50 40 GDGB N#CCCCN1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 6062574 PXLSNDUZDVHQBW-YBAYSFDISA-N 390.399 1.997 50 40 GDGB Cc1cc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(C)o1 9316931 DZMBAXXMQKZYOX-MLCYQJTMSA-N 376.413 1.158 50 40 GDGB O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccc(-n2cccn2)cc1 10159501 PPUGFOFSRCDSSA-UHFFFAOYSA-N 388.387 1.838 50 40 GDGB CCOC(=O)[C@@H]1[C@@H](c2ccccc2Cl)[C@H]2C(=O)N[C@@]1(C)NC2=C(C#N)C#N 100253687 FDDGIIBOFNSDDD-QCUYGVNKSA-N 384.823 1.970 50 40 GDGB CC(=O)N[C@@H](C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1)C(C)C 7948857 MYIWYZAERNWXAR-MRXNPFEDSA-N 392.456 1.800 50 40 GDGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc(Cl)c1O 8109211 QQDHKYQOBMESBL-SRZZPIQSSA-N 375.812 1.863 50 40 GDGB COc1cccc(C(=O)NCC(=O)N/N=C2\C(=O)N(C(C)C)c3ccccc32)c1 18208717 IRFNCZYIPFBGCZ-CLCOLTQESA-N 394.431 1.701 50 40 GDGB CCS(=O)(=O)[C@H](I)C(=O)c1ccc([N+](=O)[O-])cc1 96517949 QJCAZGYACDLWAW-JTQLQIEISA-N 383.163 1.973 50 40 GDGB C/C(N)=C(\C#N)C(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O 105802621 ZCCOKQZUEFECFB-HMWXGYMHSA-N 391.225 1.541 50 40 GDGB COc1cc(C=NNC(=O)c2sc(N)c(C#N)c2C)cc([N+](=O)[O-])c1O 408731235 YZKSKOSKLBXZPY-UHFFFAOYSA-N 375.366 1.897 50 40 GDGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cccc(F)c1 408742647 XKZWYQOFETWHML-DGURAOSJSA-N 384.392 1.605 50 40 GDGB CN(C)CN1C(=O)/C(=N\NC(=O)CO/N=C/c2ccccc2)c2ccccc21 20215573 RXAURKOVIUOWDK-BPRODXMRSA-N 379.420 1.423 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1n[nH]c(=O)c2ccccc12 2617459 WMTMMENYGVXORV-UHFFFAOYSA-N 394.412 1.700 50 40 GDGB Cc1c(C(=O)NN=C2CCC(c3ccccc3)CC2)nnn1-c1nonc1N 1022666 DKWRCPFELMTSPM-UHFFFAOYSA-N 380.412 1.985 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc(OC)c1OC 1005767 FZDDGHCWRUGOFN-RYUDHWBXSA-N 380.397 1.364 50 40 GDGB COc1ccccc1C(=O)NNC1=NC(=O)C[C@@H](C(=O)Nc2ccccc2)S1 2396001 LAEIVIZPRAJBGR-HNNXBMFYSA-N 398.444 1.956 50 40 GDGB COc1ccc(OC)c(N(CC(=O)NN=C2CCCCC2)S(C)(=O)=O)c1 817232 WDERFGXMKLLMGG-UHFFFAOYSA-N 383.470 1.906 50 40 GDGB O=C(NC[C@H]1CCS(=O)(=O)C1)OCC(Br)Br 59568567 JUMGBGGLVLQCIA-ZCFIWIBFSA-N 379.070 1.263 50 40 GDGB CCOC(=O)/C(=N/Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)CCl 2087804 DEUAXHAHSVULTB-HMMYKYKNSA-N 378.816 1.623 50 40 GDGB O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1cc(Cl)ccc1O 409255082 GEHZIAHHIMMKIJ-DNTJNYDQSA-N 375.768 1.541 50 40 GDGB Cc1cc(C)n(CC(=O)NNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)n1 6510431 IGJUQYDBARFOLA-UHFFFAOYSA-N 398.872 1.165 50 40 GDGB CC1(C)Cc2cccc(OCC(=O)NNC(=S)NC[C@H]3CCCO3)c2O1 15899375 XJCCDRRLSNQXIS-CYBMUJFWSA-N 379.482 1.453 50 40 GDGB CC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O1 2113432822 GRBQGEFUMJONLP-FMKGYKFTSA-N 384.505 1.665 50 40 GDGB CN(CC(=O)NNC(=S)Nc1ccccc1)S(=O)(=O)c1ccccc1 47683457 VBPYVTBOYSIABK-UHFFFAOYSA-N 378.479 1.325 50 40 GDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 101309596 IRSRUVJHWLQMDQ-SJZWRUIUSA-N 380.825 1.805 50 40 GDGB CCC(=O)N(NC(=O)c1cccnc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 100126222 GGIYBXCGDQORSH-INIZCTEOSA-N 396.403 1.306 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 6073835 RVDXRLVSOAJLAS-UHFFFAOYSA-N 378.366 1.177 50 40 GDGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 5799036 XPBWUHPXWQIXAI-IKQLPNFSSA-N 386.411 1.316 50 40 GDGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1 6327598 UVNRYBKTDBKOCT-YDZHTSKRSA-N 396.447 1.357 50 40 GDGB O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)C1CC1 1347115 ROYMKEJHKIHBON-GFCCVEGCSA-N 385.873 1.298 50 40 GDGB CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CCCC2=O 4517063 ZOBVIVZGNKIWBR-OAQYLSRUSA-N 393.399 1.423 50 40 GDGB COc1ccc2oc(=O)c(/C(N)=N/NC(=O)c3ccc(OC)c(OC)c3)cc2c1 4954006 VNTQETOCUPKEEM-UHFFFAOYSA-N 397.387 1.869 50 40 GDGB CN(CC(=O)NNC(=O)c1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 6504619 CCSIEFXBORZPJN-UHFFFAOYSA-N 399.838 1.470 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1 6867519 KHUBHDPCRYLZPL-SSDVNMTOSA-N 398.419 1.217 50 40 GDGB CCCCn1c(SCC(=O)NNC(=O)c2cc(C)c(CC)s2)n[nH]c1=O 32818904 TXHFNOBDFQSXID-UHFFFAOYSA-N 397.526 1.857 50 40 GDGB C/C(=N\NC(=O)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-])c1cccc(-n2cnnn2)c1 25781744 WBHNTBYWLVLFQK-VCHYOVAHSA-N 396.323 1.633 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)O)c1cccc(F)c1 409121682 ZCQRMNJYKLFOFA-VXLYETTFSA-N 393.396 1.440 50 40 GDGB O=C(CCNC(=O)c1ccccc1)NNC(=O)COc1ccccc1Cl 6508099 MVJPZORKRICIDA-UHFFFAOYSA-N 375.812 1.686 50 40 GDGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1 8937951 RAJWUKMDNMKAEJ-UHFFFAOYSA-N 394.197 1.689 50 40 GDGB COc1c(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408721578 UWVYCOOMACTLOE-ONNFQVAWSA-N 399.323 1.218 50 40 GDGB COc1ccc(C(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)c(O)c1 409390431 DADCXFUZGBCWAE-SSDVNMTOSA-N 380.404 1.995 50 40 GDGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1O 409239265 CUFCPLNXMINNJB-REZTVBANSA-N 391.409 1.958 50 40 GDGB Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@@H](O)CCl)n2CCc1ccccc1 827962 HSUGFIRYTRKMCH-LBPRGKRZSA-N 394.884 1.358 50 40 GDGB Cn1cc(Br)cc1C(=O)NNC(=O)c1cccc(C[S@](C)=O)c1 54231060 YOTQGXLKMLJCJC-HSZRJFAPSA-N 398.282 1.741 50 40 GDGB COc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc(OC)c1OC 59444825 PBXYTZPQPAKALM-XKZIYDEJSA-N 385.420 1.869 50 40 GDGB CCS(=O)(=O)[C@H](I)[C@H](O)c1ccc([N+](=O)[O-])cc1 96519244 ALWLLQIBCUYGTF-ZJUUUORDSA-N 385.179 1.824 50 40 GDGB O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 100572078 QPOULIBYFXOGBR-AWEZNQCLSA-N 388.767 1.815 50 40 GDGB N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 26695083 ARMSZAZOZKJSCX-HNNXBMFYSA-N 396.403 1.230 50 40 GDGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccnc2)sc2c1CCCC2 2441443 RQDKGFCVKDMISN-KEBDBYFISA-N 386.433 1.897 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc(OC)c1OC 102192526 SZVTZMSBOHFBGJ-MISXLKTNSA-N 392.408 1.220 50 40 GDGB C[C@@H](C(=O)N/N=C/c1ccc(C(=O)O)cc1)N(c1ccccc1)S(C)(=O)=O 408907478 OZYVKOHGZDSNBT-HCZVKUGISA-N 389.433 1.690 50 40 GDGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408905028 SDOFBPPYPGLADP-NPMVHWCVSA-N 386.415 1.758 50 40 GDGB N#CC1=C(N)n2c(s/c(=C/c3ccsc3)c2=O)=C(C#N)[C@H]1c1ccsc1 2259122 CQFBOWNZALIRPP-JVDKPVQESA-N 394.506 1.984 50 40 GDGB Cc1cc(C)nc(NNC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)n1 45716383 ZGFWPZZJRBJSHR-CQSZACIVSA-N 387.366 1.293 50 40 GDGB COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)ccc1O 20060248 SVLSKDCJZYNRPY-YBFXNURJSA-N 391.449 1.626 50 40 GDGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 409377885 LYWDJTXLPDRHGA-DARAHFNDSA-N 399.447 1.955 50 40 GDGB Cc1ccc(CNC(=O)NCC(=O)NNC(=S)NC2CCCCC2)cc1 40049148 JISALRYRZYDXAO-UHFFFAOYSA-N 377.514 1.622 50 40 GDGB COc1ccc(S(=O)(=O)N(CC(=O)NN)c2cc(C)cc(C)c2)cc1OC 32115698 BMIUYQCNQDGWMB-UHFFFAOYSA-N 393.465 1.506 50 40 GDGB Cc1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1NS(C)(=O)=O 32755075 SPQVCFZYRXYXDA-UHFFFAOYSA-N 390.465 1.507 50 40 GDGB Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)[nH]n2)cc1 12535632 KEELMAUREIKFSG-GOSISDBHSA-N 378.388 1.986 50 40 GDGB O=C(NN/C=C1/C(=O)N(c2ccc(F)cc2)C(=S)N=C1O)c1ccncc1 9087316 GNYUNRPIQLUWGD-UKTHLTGXSA-N 385.380 1.627 50 40 GDGB CC(C)(C)OC(=O)NN1C[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)CC1=O 78932155 DRICZKNVEKCREV-LLVKDONJSA-N 396.831 1.389 50 40 GDGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@H]1c1ccccc1 409135774 QZYWNIZDDXNXOA-SJORKVTESA-N 399.472 1.780 50 40 GDGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(C)(=O)=O 19954830 VACDBXILWPJKLB-DEDYPNTBSA-N 388.493 1.977 50 40 GDGB COc1ccc(OC)c(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 6544401 UFXCGDYEVCIXQQ-XDHOZWIPSA-N 391.449 1.475 50 40 GDGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1OC 111498898 FPXNAICPTBSIDC-UFFVCSGVSA-N 385.376 1.199 50 40 GDGB CC(C)c1c(C(=O)N/N=C/c2cc(F)ccc2F)nnn1-c1nonc1N 2358971 ICLJFKFZTDWVPC-KPSZGOFPSA-N 376.327 1.398 50 40 GDGB O=C(Cc1cccc(F)c1)NCC(=O)NNC(=O)c1cc(Br)c[nH]1 40144389 DNOZNPUMPWQRPP-UHFFFAOYSA-N 397.204 1.036 50 40 GDGB COc1cc(/C=N/NC(C)=O)cc(I)c1OCC(=O)O 408904881 PXZMADAZWYSFJO-LHHJGKSTSA-N 392.149 1.233 50 40 GDGB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccccc1 8416033 NFEMMILJOFFNNJ-UHFFFAOYSA-N 383.404 1.718 50 40 GDGB Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c(C)c1 24556735 RNXWARVZQOYYRL-AWEZNQCLSA-N 395.415 1.846 50 40 GDGB O=C(CCl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 3885307 BDJMEMIRROPGBC-UHFFFAOYSA-N 387.889 1.485 50 40 GDGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2O)c2ccccc21 5563671 DDGJVNYIIKCBBI-NKFKGCMQSA-N 380.404 1.398 50 40 GDGB CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC)cc1 8086154 QUKUBCKVFYMKPS-WSDLNYQXSA-N 382.420 1.463 50 40 GDGB CCn1nc(C(=O)NNC(=O)COc2cccc(C)c2)c2ccccc2c1=O 2634003 FBLVCBVDRFYELE-UHFFFAOYSA-N 380.404 1.565 50 40 GDGB CCOc1ccc(N2C(=O)C[C@@H](NNC(=O)Cc3ccc(F)cc3)C2=O)cc1 3401511 MJBUXLTUPYSFGT-QGZVFWFLSA-N 385.395 1.720 50 40 GDGB O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2 4504251 RLFYOXZAHAKTME-FGTZSFLXSA-N 396.359 1.303 50 40 GDGB CC(C)Oc1ccc(C(=O)NNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 14253008 HEQIFJWVNMEWOT-UHFFFAOYSA-N 391.405 1.532 50 40 GDGB COc1ccnc(NNC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 40153977 RXBWRJQCNAYNPK-AWEZNQCLSA-N 387.415 1.549 50 40 GDGB COc1ccccc1N(CC(=O)N/N=C/c1ccccc1F)S(C)(=O)=O 5880618 MEOWTZZBGHCGTD-YBFXNURJSA-N 379.413 1.751 50 40 GDGB O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccccc1O 40069148 UNCGFVFOUSYADC-OAHLLOKOSA-N 389.433 1.007 50 40 GDGB O=C(NNC(=S)NC(=O)c1ccccc1Br)c1cccnc1 5771669 KOSRVXKHDSJJFJ-UHFFFAOYSA-N 379.239 1.793 50 40 GDGB Cc1nc2ccccn2c1C(=O)NNC(=O)CCNC(=O)NCc1ccccc1 28714719 DFJVOHLSIZFVMU-UHFFFAOYSA-N 394.435 1.293 50 40 GDGB Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)c(C)c1 857135 BLVSBPHTZBWBDT-AWEZNQCLSA-N 382.376 1.778 50 40 GDGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccccn3)C(=O)NC2=S)cc1 408754914 SOIWGKRBGAOUAH-NLLJVSSUSA-N 381.417 1.170 50 40 GDGB Cc1occc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6944641 WDSSUYZRUSNUOE-LBPRGKRZSA-N 385.376 1.173 50 40 GDGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1O)S(C)(=O)=O 408774383 ZWZKBODSUYTVBT-YBFXNURJSA-N 391.449 1.626 50 40 GDGB O=C(CN1CCOCC1)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 409210871 LVMQTZJQRUODJW-JAIQZWGSSA-N 385.380 1.564 50 40 GDGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccc(O)cc3)C(=O)NC2=S)cc1 408752338 DQBQIOGVRXIELB-ANQVYJHKSA-N 396.428 1.480 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccn2)cc1C 16282982 LZBSEGMHWFSGRD-ODLFYWEKSA-N 376.438 1.169 50 40 GDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cncc(Br)c1 40159691 XGHRGJIKDYYQEW-ZDUSSCGKSA-N 378.182 1.445 50 40 GDGB COc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 3436336 MQXFISBLDPCTPM-UHFFFAOYSA-N 376.796 1.896 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1[N+](=O)[O-] 12921739 PJAWEDYPMPFGLC-UHFFFAOYSA-N 397.434 1.777 50 40 GDGB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NNC(=O)c1ccccn1 6560997 KJNZBZIFOGGVSJ-UHFFFAOYSA-N 379.372 1.517 50 40 GDGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OC 408735376 QYUMERDNOFYIKJ-HTRKUNOGSA-N 388.420 1.839 50 40 GDGB COc1ccccc1N1C(=O)N=C(O)/C(=C/NNC(=O)c2ccccc2O)C1=O 38180909 HNKYNSUZWDPIHS-BENRWUELSA-N 396.359 1.642 50 40 GDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)c(OC)c1 9742712 XEFUZKQYGXWELR-QGZVFWFLSA-N 383.404 1.384 50 40 GDGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 409377888 LYWDJTXLPDRHGA-WMHQRMGPSA-N 399.447 1.955 50 40 GDGB COc1ccc(C(=O)NNC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 13897709 XYDXMORETXFDMD-UHFFFAOYSA-N 383.316 1.785 50 40 GDGB C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)C(C#N)=C1Nc3ccccc3N1)CS2 6908616 LNXBQQFJONFMLZ-LIRRHRJNSA-N 398.444 1.825 50 40 GDGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1cccc([N+](=O)[O-])c1 857225 FDGHKZNHMYJTGJ-CQSZACIVSA-N 388.767 1.815 50 40 GDGB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(-n2c(C)ccc2C)cc1 32969072 ZVRDKOJDKONLJI-PXAZEXFGSA-N 385.468 1.938 50 40 GDGB O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1coc(=O)c(Br)c1 2371289 GXZAHPVPEKCBCP-VXGBXAGGSA-N 377.194 1.967 50 40 GDGB CSCC[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(Br)cc1 3324074 WLEWSNIQMILXDV-JTQLQIEISA-N 389.275 1.000 50 40 GDGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)[C@H]3COc4ccccc4O3)CC2=O)cc1 12809213 NCSGBTCSBXNGOX-RDTXWAMCSA-N 395.415 1.335 50 40 GDGB C[C@]12CC(=O)[C@H]3[C@@H](C[C@H](Cl)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO 33650036 NPSLCOWKFFNQKK-ZPSUVKRCSA-N 392.879 1.983 50 40 GDGB in-vitro CCCCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2cccc(OC)c2)C1=O 5047127 XVJDBMYZMRJYBJ-NTCAYCPXSA-N 388.424 1.753 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 6497056 VEJANSASZITQSB-SSDVNMTOSA-N 386.383 1.429 50 40 GDGB CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(O)c2)s1 59498800 VRCQWMLKTBRPEN-CAOOACKPSA-N 377.426 1.627 50 40 GDGB CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(C)cc1 12782341 SKAZKMGJUOFGHB-CQSZACIVSA-N 375.450 1.901 50 40 GDGB N#C/C(=C\c1ccc(O)c(I)c1)C(=O)N1CCOCC1 4699710 GZXMXHTUMIXBSM-YRNVUSSQSA-N 384.173 1.763 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408534950 NAPKHQCJDRSSGL-IMRMQAIZSA-N 382.351 1.749 50 40 GDGB Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/[C@@H]1CC=CCC1 6252518 AQQTWGZNEOSOKR-ZICWZVMQSA-N 378.396 1.971 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C)c1 6879480 WZICGDTWKADECQ-YDZHTSKRSA-N 396.447 1.989 50 40 GDGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 2662616 CQEPDEMGYDUOJD-ZANVPECISA-N 390.362 1.315 50 40 GDGB CC(=O)NNC(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 2087911 PLDPJRNRMZTHSK-QPEQYQDCSA-N 393.446 1.174 50 40 GDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 408614783 HXRBSEXVHMAFJA-GFCCVEGCSA-N 386.339 1.548 50 40 GDGB CCc1sc(C(=O)NNC(=O)CNC(=O)COc2ccccc2)cc1C 9885453 HEIURNBAEFZZOU-UHFFFAOYSA-N 375.450 1.575 50 40 GDGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1684470 ZQUUQVPOSAMAQO-BEQMOXJMSA-N 384.308 1.103 50 40 GDGB Nc1nnc(SCC(=O)NNC(=O)c2ccc(Br)cc2)s1 3297977 AKBHKDMXEFFTLC-UHFFFAOYSA-N 388.272 1.436 50 40 GDGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccncc2)S(C)(=O)=O)cc1 408907754 QSPXXPOPFHDTAJ-GNUZOCDUSA-N 390.465 1.785 50 40 GDGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(=O)OC 5408532 JTNVQXVDPGMDFE-QGZVFWFLSA-N 384.392 1.887 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)c1ccccc1F 408782850 KAEBALYMJUDYQQ-VXLYETTFSA-N 393.396 1.440 50 40 GDGB O=C(COc1ccccc1)NN[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 35682710 WZKYGXPKQGLSKH-KRWDZBQOSA-N 398.463 1.729 50 40 GDGB O=C(CSc1nc2c3ccccc3ncn2n1)NNC(=O)c1ccncc1 40158681 WMLCBOGKEHFKPU-UHFFFAOYSA-N 379.405 1.226 50 40 GDGB CN(CC(=O)N/N=C/c1ccc(O)cc1)S(=O)(=O)c1ccc(Cl)cc1 8042710 MBGKQDWJDFOVBW-VCHYOVAHSA-N 381.841 1.816 50 40 GDGB COCC(=O)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 23109386 XRLGGRJKHCDPFT-UHFFFAOYSA-N 384.219 1.611 50 40 GDGB Cc1nc2c(cc1C(=O)N/N=C/c1c[nH]c3ccccc13)c(=O)n(C)c(=O)n2C 1020619 FQPIVNCGHAPHRR-LSHDLFTRSA-N 390.403 1.186 50 40 GDGB biogenic O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 1686339 HRRIYVDFEDAVAJ-BEQMOXJMSA-N 384.308 1.103 50 40 GDGB Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)c1cnccn1 2215984 CBUYJRPIGANGQZ-UHFFFAOYSA-N 382.405 1.389 50 40 GDGB COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccco2)c2ccccc21 2207003 BWGSIZKQKNFEFF-ICFOKQHNSA-N 378.388 1.857 50 40 GDGB COC(=O)CN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21 5752936 VGFIYEXVIDEUQP-QOCHGBHMSA-N 381.388 1.414 50 40 GDGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 409379327 WERPIKIYNRZMTJ-DARAHFNDSA-N 385.420 1.565 50 40 GDGB Cc1cc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(C)o1 9316927 DZMBAXXMQKZYOX-XTZNXHDOSA-N 376.413 1.158 50 40 GDGB COc1ccc(/C(C)=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c(OC)c1 8133554 PRALGYGQPAYVJE-DEDYPNTBSA-N 380.408 1.898 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(F)cc2)cc1 4699753 YJGWADOZKHPBAO-YBFXNURJSA-N 379.413 1.605 50 40 GDGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409232343 QDWCOPCMZMFNMO-WDZFZDKYSA-N 383.320 1.893 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(OC)c1 6953967 CSRHRFABDHNNDQ-WSDLNYQXSA-N 398.419 1.299 50 40 GDGB O=C(CSc1nc2ccccc2o1)NNC(=O)[C@@H]1COc2ccccc2O1 10962810 RTTVAKPGOSYTNF-HNNXBMFYSA-N 385.401 1.907 50 40 GDGB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 104002650 PEPZGMDHFUBXDW-KCQAQPDRSA-N 380.448 1.930 50 40 GDGB CCOC(=O)NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C 4494293 PAQGPFAAKWHAGW-OQLLNIDSSA-N 377.397 1.474 50 40 GDGB N#Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3ccc(B(O)O)o3)n2)s1 585295055 YMSWTQVBMOUNGM-HNNXBMFYSA-N 395.253 1.763 50 40 GDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)c1C#N 1021181 CQKMWMHLIYWKAS-ODCIPOBUSA-N 382.376 1.666 50 40 GDGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cc2ccccc2[nH]c1=O 5615011 WEBKRPOFFQGNIT-KCDOPAPYSA-N 388.427 1.994 50 40 GDGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CN2CCOCC2)o1 59246919 DXNFGDVHQYDDQC-YBFXNURJSA-N 388.380 1.646 50 40 GDGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccco2)c2ccccc21 13471357 BXDDDHDOJKJEMP-UOBXZYDMSA-N 378.388 1.462 50 40 GDGB COc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)ccc1OC(F)F 9112055 UWLZZMSNSRSPOU-NSHDSACASA-N 378.397 1.403 50 40 GDGB COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)cc(OC)c1OC 30791500 UUEXATSYEVCZBU-BGZHUVHVSA-N 397.431 1.692 50 40 GDGB O=C(CCC(=O)NNC(=O)Oc1ccccc1)NNC(=O)Oc1ccccc1 255188357 JNISLYGMFNMKDI-UHFFFAOYSA-N 386.364 1.406 50 40 GDGB Cn1c(=O)n(CC(=O)NNC(=O)c2ccccc2-n2cccc2)c2ccccc21 14180961 UGBDRIKPFORPPW-UHFFFAOYSA-N 389.415 1.592 50 40 GDGB C/C(=N\NC(N)=O)c1sc(-c2nc(C)c(/C(C)=N/NC(N)=O)s2)nc1C 16957798 FLFKFFCPMYWUAY-OKXCLTPOSA-N 394.486 1.668 50 40 GDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1C#N 1501988 CXCDIDKJGSOKBA-AWQFTUOYSA-N 383.364 1.845 50 40 GDGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(C(N)=O)cc2)c1 6645903 UIQNIOSMSJJILF-FSJBWODESA-N 398.419 1.937 50 40 GDGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc(N2CCOCC2)s1 2632593 ZPJDFOPLHNDCSD-DJKKODMXSA-N 387.387 1.950 50 40 GDGB O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)NNC(=O)c1ccccc1F 100556397 QEXZGQZPGMWJBA-VXGBXAGGSA-N 376.384 1.525 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2)S(C)(=O)=O)cc1 20210338 ZMYBJKPDFNPVJE-XDHOZWIPSA-N 391.449 1.620 50 40 GDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(F)cc1 6338157 FTDIOCOBXQMPOD-CYBMUJFWSA-N 399.378 1.411 50 40 GDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 101315564 NXFTZIPINQAKHS-PTTFWAKNSA-N 390.889 1.704 50 40 GDGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(N)=O 107723441 OTOPSCBCVXJZBJ-JMIUGGIZSA-N 386.364 1.160 50 40 GDGB CN1C(=O)c2ccc(C(=O)NNC(=O)c3cc4c(s3)CCCC4)cc2C1=O 12763584 KJTIAXQKPWTTKE-UHFFFAOYSA-N 383.429 1.928 50 40 GDGB COc1cc(Br)c(S(=O)(=O)NNC(=O)C(C)C)cc1OC 17319877 KNDSGSGIESCBFJ-UHFFFAOYSA-N 381.248 1.432 50 40 GDGB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3203117 FWQMYRLKAWUAFW-VDCVXVNISA-N 385.336 1.772 50 40 GDGB COc1ccc(OC)c(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1 33601897 FNSGHNDXAUXICS-UNOMPAQXSA-N 397.497 1.748 50 40 GDGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)cc1OC 59516214 UREIIDZLZCVXBC-RGVLZGJSSA-N 387.392 1.810 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1cccc([N+](=O)[O-])c1 13897753 OLTVFJYYRGEPJK-OQLLNIDSSA-N 382.423 1.573 50 40 GDGB CN1CCC(=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)CC1 20215055 SWDGCSLWFPXRJT-UHFFFAOYSA-N 388.493 1.804 50 40 GDGB CCCn1nc(C(=O)NNC(=O)[C@H](C)Oc2ccc(OCC)cc2)ccc1=O 23568814 CVJXVYVNYSJVSU-ZDUSSCGKSA-N 388.424 1.281 50 40 GDGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)c1 20060329 BIMDKEVVRLOMCN-YBFXNURJSA-N 389.433 1.610 50 40 GDGB C[C@H](S[C@@H](C)C(=O)N/N=C/c1cccnc1)C(=O)N/N=C\c1cccnc1 38799124 KLEBRGPHTATJPG-FMDUCKTGSA-N 384.465 1.587 50 40 GDGB O=C(NCCNC(=O)C1CC1)NNC(=O)c1ccc(F)cc1Br 89768440 PILZVIGIGPYBDN-UHFFFAOYSA-N 387.209 1.058 50 40 GDGB COc1cc(C)nc(N2CCC[C@H](C(=O)NNC(=O)c3ccc(F)cc3)C2)n1 1344107 XEWLBMKEYBLZIZ-AWEZNQCLSA-N 387.415 1.610 50 40 GDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCc2ccsc2)c1 14231730 SGTRPSFHAMABFT-UHFFFAOYSA-N 381.479 1.392 50 40 GDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(F)cc2)s1 32772677 BEOHOLJOQZRRFP-LLVKDONJSA-N 382.438 1.750 50 40 GDGB CC1(C)[C@@]2(CBr)CC[C@@]1(C(=O)NCCN)[C@@H](Br)C2=O 109275003 NAUZHLKPFNYNAP-CKLFPEKLSA-N 396.123 1.595 50 40 GDGB O=C(CN1CCOCC1)N/N=C/c1cc2ccc([N+](=O)[O-])cc2nc1Cl 408728640 QLUUIJNDPRAUDG-GIJQJNRQSA-N 377.788 1.579 50 40 GDGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)[C@H]1COc2ccccc2O1 6782762 PJICLZBEYVBXMT-UXPWZVMTSA-N 378.388 1.967 50 40 GDGB Cc1ccc(C(=O)NCC(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1 9376542 SCPQXLXNTBYHLV-UHFFFAOYSA-N 395.394 1.511 50 40 GDGB CCOC(=O)CNP(=O)(NCC(=O)OCC)N(CCCl)CCCl 80596528 SRHDVFDLYAGCRL-UHFFFAOYSA-N 392.220 1.180 50 40 GDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=S)Nc2ccccc2)cc1 16272041 WZHALRWFNVASME-UHFFFAOYSA-N 392.506 1.633 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 6430269 XDJKYFKVWJBBDL-YDZHTSKRSA-N 396.447 1.989 50 40 GDGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 6538258 MZCWQEQSMUOZTN-CPNJWEJPSA-N 375.450 1.856 50 40 GDGB CCc1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccncc3)C2=O)cc1 38181994 APLHOGLBGLIFLM-PTNGSMBKSA-N 379.376 1.886 50 40 GDGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 408784317 AZMZNFKELPUGSH-UDWIEESQSA-N 392.456 1.808 50 40 GDGB COC(=O)c1cc(Br)ccc1S(=O)(=O)NNC(=O)CC(C)C 7386754 AGWJPQDDYWKTOZ-UHFFFAOYSA-N 393.259 1.591 50 40 GDGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1 33293709 GDRPGKUVLJBQII-XKZIYDEJSA-N 397.431 1.746 50 40 GDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1O 18068405 XGKUJTHPOCKVHD-YBEGLDIGSA-N 392.415 1.779 50 40 GDGB COc1cc(C)nc(N2CCC[C@@H](C(=O)NNC(=O)c3ccc(F)cc3)C2)n1 1344104 XEWLBMKEYBLZIZ-CQSZACIVSA-N 387.415 1.610 50 40 GDGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 67913411 KZJNKSIORXDWKH-DVOQPYETSA-N 378.421 1.241 50 40 GDGB biogenic,in-vitro COc1ccc(CCNC(=S)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 7986490 YHTXJORBDGMXAH-UHFFFAOYSA-N 397.460 1.283 50 40 GDGB Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(C)CC1)S(C)(=O)=O 20212755 JLFKFLGFWVIYCX-UHFFFAOYSA-N 386.905 1.612 50 40 GDGB COc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2cccs2)cc1 13163901 SLYDZLRBSLCHJL-UHFFFAOYSA-N 390.450 1.286 50 40 GDGB O=C(CC(=O)N/N=C/c1ccc2c(c1)OCO2)N/N=C/c1ccc2c(c1)OCO2 4705079 RQHCFLDQYFNZPQ-IYJUZEOBSA-N 396.359 1.135 50 40 GDGB COC(=O)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 4704664 MTBRLZPADGOTSH-XDHOZWIPSA-N 389.433 1.244 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1ccc(C)c(C)c1 409390046 UGTNNGSBDYHBCH-UHFFFAOYSA-N 377.466 1.806 50 40 GDGB COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Cl)c1OCC(=O)O 14134705 ADBPXHXOHAHHRC-UGNSCYDZSA-N 392.795 1.996 50 40 GDGB O=C(NN/C=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1O)c1ccccc1O 33821619 IEZXLCALFMZFLW-UVTDQMKNSA-N 380.360 1.629 50 40 GDGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cnc3ccccn3c2=O)cc1 12737381 VPVJCRLAOKWPHA-CYBMUJFWSA-N 396.403 1.322 50 40 GDGB CC1(C)[C@@H](CSS(C)(=O)=O)[C@H](CSS(C)(=O)=O)C(C)(C)N1O 83434030 UFKKQFGMIKQTFD-UWVGGRQHSA-N 391.602 1.866 50 40 GDGB in-vitro CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 6879505 XUAOZYSUBIZKDQ-LPYMAVHISA-N 382.420 1.680 50 40 GDGB O=C1OC(=O)[C@H]2[C@@H]1C1(Cl)C(Cl)=C(Cl)C2(Cl)[C@H]2C(=O)OC(=O)[C@@H]21 104143719 LDFYOAUEDOLDGH-BGTUOXRKSA-N 385.970 1.290 50 40 GDGB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)OC)CC1 2204886 ULXYTVOIGZBDIS-NTCAYCPXSA-N 381.436 1.225 50 40 GDGB Cc1cccc(OCCCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1 3375467 REVBQJDBVYYDEY-UHFFFAOYSA-N 380.404 1.852 50 40 GDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccccc2)C1 3360551 ZFCPXKLPFPEBTB-MAUKXSAKSA-N 395.415 1.023 50 40 GDGB CCc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)cc1 409027496 DAQYOTZCZDKERJ-XDHOZWIPSA-N 375.450 1.871 50 40 GDGB O=C([C@@H]1C[C@H](Cl)CN1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 12616740 FXKAXBGZCPULAN-JSGCOSHPSA-N 393.292 1.569 50 40 GDGB CCOc1cc(C(=O)NNC(=O)c2nccnc2N)cc(OCC)c1OCC 12921297 MHOLFWXILWTBNC-UHFFFAOYSA-N 389.412 1.330 50 40 GDGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(O)cc3O)CC2)cc1 19682608 BVKVYKPIDHGUMH-LPYMAVHISA-N 382.464 1.674 50 40 GDGB O=C(Cc1cn2ccsc2n1)NNS(=O)(=O)c1ccc(Cl)cc1F 7409628 WATWEWXLEUKUAB-UHFFFAOYSA-N 388.833 1.741 50 40 GDGB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)NNC(=O)c1ccccc1 3365572 RAFIXVZXVMHPCG-UHFFFAOYSA-N 389.433 1.941 50 40 GDGB COc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408538243 ZMVNARXHHGKPIW-HLBFBYKESA-N 398.419 1.294 50 40 GDGB COc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2)cc1Cl 408583782 KCHPZOFTWFOFRE-UHFFFAOYSA-N 383.857 1.529 50 40 GDGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2O)CC1 409063744 MOCVOKCGINTOJP-MOSHPQCFSA-N 383.408 1.816 50 40 GDGB Cn1nc(C(=O)NNC(=O)[C@@]2(C)OCCc3ccccc32)c2ccccc2c1=O 1618235372 ZBIUOIIFKKZGQD-NRFANRHFSA-N 392.415 1.183 50 40 GDGB COc1ccc(-n2nnc3c(N4CCN(C(=O)CCl)CC4)ncnc32)cc1 9850095 DKLBKLQVGRZVMJ-UHFFFAOYSA-N 387.831 1.107 50 40 GDGB Cc1cc2ncn(CCC(=O)NNC(=O)Cn3nnc4ccccc43)c2cc1C 912245 CIOIQENXHWHKSM-UHFFFAOYSA-N 391.435 1.636 50 40 GDGB COc1ccc(C(=O)NNC(=O)CSc2nnc3ccccn23)cc1OC 8342977 BEQNYMMZAPJHCM-UHFFFAOYSA-N 387.421 1.300 50 40 GDGB C=CCN1C(=O)c2ccc(C(=O)NNC(=O)COc3ccccc3F)cc2C1=O 14843740 JFBYRJXVOUIRIB-UHFFFAOYSA-N 397.362 1.448 50 40 GDGB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NNC(=O)c1ccc(Cl)cc1 5642745 HGSKEXANEBQHAU-UHFFFAOYSA-N 399.790 1.800 50 40 GDGB COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)ccc1O 12419805 RRHBKXJNZIFUQU-VCHYOVAHSA-N 377.422 1.138 50 40 GDGB COc1ccccc1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 6123140 FIZZPQXSPOUDPP-UHFFFAOYSA-N 382.464 1.669 50 40 GDGB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1Cl 8433634 JGPAHBUOBSEPHE-UHFFFAOYSA-N 377.740 1.866 50 40 GDGB O=C(NN[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1cccnc1 1251301 JCWCFHHTOLCZGK-CYBMUJFWSA-N 378.310 1.667 50 40 GDGB CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 12604790 XAZJWEJBRUDPMO-UHFFFAOYSA-N 393.421 1.887 50 40 GDGB Cc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 8145193 SGDKMKNSEFDJCB-UHFFFAOYSA-N 385.445 1.965 50 40 GDGB CCNC(=O)/C(C#N)=C/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 9419771 WCGCOIXNUNCODR-LSLGCZAZSA-N 390.490 1.305 50 40 GDGB C[C@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)COc1ccc(Br)cc1 6640264 YBRRKUOEFSLAHC-JOYOIKCWSA-N 385.214 1.175 50 40 GDGB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccccc2F)C1=O 29550108 SRPNERUUVKBWFJ-IBGZPJMESA-N 384.367 1.054 50 40 GDGB CC1(C)[C@]2(C(=O)NCCN)CC[C@]1(CBr)C(=O)[C@@H]2Br 109274996 NAUZHLKPFNYNAP-AQUOVQTQSA-N 396.123 1.595 50 40 GDGB CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 2273449 FCECMAGIOWWGOO-HXUWFJFHSA-N 397.387 1.371 50 40 GDGB O=C(O)c1ccccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408676714 BGSAZHWIQYHQIO-IEOIMIPYSA-N 380.194 1.894 50 40 GDGB CN1CCN(S(=O)(=O)C[C@]2(C)[C@H]3CC[C@]2(C)C(=O)[C@H]3Br)CC1 34848607 IPLUOSAUUKDXNT-DDHJSBNISA-N 393.347 1.332 50 40 GDGB Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)c1ccc(Br)cc1 16969165 ZIMNOKAKUFHUNX-UHFFFAOYSA-N 379.214 1.443 50 40 GDGB O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 2690743 PNTYXJYCTNQGMX-UHFFFAOYSA-N 389.349 1.452 50 40 GDGB NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)o1 2272593 ZTENCQQSDPEPFC-UITAMQMPSA-N 394.181 1.532 50 40 GDGB COC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 2293782 OTOKVEONYJHTQA-OLZOCXBDSA-N 390.377 1.391 50 40 GDGB COc1cc(OC)c(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c(OC)c1 6287357 CTSXKCUZSYOPFS-RGVLZGJSSA-N 396.407 1.516 50 40 GDGB Cn1c(CC(=O)NNC(=O)c2cncc(Br)c2)nc2ccccc21 5267589 XBOMDAVCPYOVSS-UHFFFAOYSA-N 388.225 1.735 50 40 GDGB C/C(=N\NC(=O)C[C@@H]1NC(Cc2ccccc2)=NNC1=O)c1ccc(C)cc1 4765367 UVEHUTYZRFYRBL-FSTGKYBXSA-N 377.448 1.870 50 40 GDGB O=C(NNC(=O)c1cc(Br)c[nH]1)c1csc(-c2nc[nH]n2)n1 69949150 IBCGPMMHGDVAGR-UHFFFAOYSA-N 382.203 1.094 50 40 GDGB CCOC(=O)COc1ccc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc1 408877216 SXAMTEITYHZCIR-YVNNLAQVSA-N 399.403 1.919 50 40 GDGB COc1ccc(/C=N/NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1O 1754003 XZBCVIXLYUQAGL-DJKKODMXSA-N 387.352 1.581 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)cc1 59434151 WSWDMRIEVQPVGH-CIAFOILYSA-N 399.403 1.969 50 40 GDGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@H]3CCCO3)c2C)cc1 58912183 LXAHJQHPGXAFGJ-AOOMUMSASA-N 398.463 1.848 50 40 GDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccn2)c1 12853362 HYVONKUWSJQVRK-UHFFFAOYSA-N 376.438 1.187 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(F)c2)c1-c1cccs1 9500230 BSUKNMGCCPZILN-UFWORHAWSA-N 398.383 1.864 50 40 GDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(C)cc(C)c1 103518104 KPBROJQQPAWKJT-VHWUNXFSSA-N 399.472 1.995 50 40 GDGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CCc1n[nH]c(=O)[nH]c1=O 948197 LAHCXZZRILBUSK-RGVLZGJSSA-N 381.392 1.093 50 40 GDGB CC(=O)N[C@@H](CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 58244329 PHOOFYOJHCSZPD-YJBOKZPZSA-N 383.404 1.241 50 40 GDGB C#CCN1C(=O)/C(=N\NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 5662740 XDEYPJAUTBMCBN-UZYVYHOESA-N 378.344 1.474 50 40 GDGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 15271950 AQOYDSLHVGEJGZ-OAHLLOKOSA-N 396.403 1.971 50 40 GDGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2nn(C)cc2Br)c1O 6219372 MBALCWNFWVXXKP-PJQLUOCWSA-N 398.173 1.569 50 40 GDGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)C(=O)NC2CCCCC2)cc1 100522676 HJIIYBJNHGADAT-OEAKJJBVSA-N 388.468 1.643 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1O 6544555 NWRUXTPKNWITMG-WOJGMQOQSA-N 377.422 1.172 50 40 GDGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(-n2c(C)ccc2C)cc1 32969074 ZVRDKOJDKONLJI-SJCJKPOMSA-N 385.468 1.938 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)cc1 5718024 OIAOLRXZENSUSL-RGVLZGJSSA-N 385.376 1.666 50 40 GDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21 4822093 PLZLETLLXJPNHO-MOHJPFBDSA-N 382.395 1.833 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1O 19954066 NMGOSQQMBYSDGK-WOJGMQOQSA-N 377.422 1.317 50 40 GDGB C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC)[C@H](OC(=O)[C@H](C)CC)[C@H]12 958318588 LOFBWESEBFUNJU-BGKSWFOJSA-N 392.448 1.895 50 40 GDGB biogenic,in-vitro N#CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccccc2C#N)cc1 7652932 UKJMCLYXGYYYHS-UHFFFAOYSA-N 377.360 1.250 50 40 GDGB COC(=O)[C@@H](Oc1ccc(OCC(=O)OCC(=O)Cl)cc1)C(=O)Cl 263583649 RBISWHKNJKUUNH-LBPRGKRZSA-N 379.148 1.060 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1 23382676 ZZIPMKVUWHBXDC-SSDVNMTOSA-N 383.404 1.427 50 40 GDGB Cc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 409027220 AGDGSRNIZXMZMY-WOJGMQOQSA-N 390.421 1.820 50 40 GDGB C/C(=N\NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cnccn1 98056254 LLOYNJFAEYXOSG-RGVLZGJSSA-N 384.352 1.613 50 40 GDGB O=C(O)CCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O 33353661 FHBPPJNBSKRQRH-IZCBGUGPSA-N 395.047 1.239 50 40 GDGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1 223152510 DZLHCNGJKIDITE-JAIQZWGSSA-N 385.376 1.638 50 40 GDGB Cc1c(C(=O)N/N=C/c2cccc(Br)c2)nnn1-c1nonc1N 1056687 ONFZVVJKSWIRPN-OMCISZLKSA-N 391.189 1.067 50 40 GDGB Cn1ncc(I)c1C(=O)N/N=C/c1ccc2c(c1)OCO2 687090 MKMQFHMBWOCKPJ-PJQLUOCWSA-N 398.160 1.517 50 40 GDGB CCOC(=O)N[C@H](C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1)C(C)C 46899818 UNOIZIYACOYZPZ-AWEZNQCLSA-N 397.428 1.244 50 40 GDGB O=C(CCl)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 4207121 ANVRVZKVHALZLN-SDQBBNPISA-N 384.866 1.972 50 40 GDGB CCCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2)cc1OC 8314740 PGUWQCMAKFHEMS-UHFFFAOYSA-N 385.420 1.675 50 40 GDGB CCCn1nc(C(=O)NNC(=O)c2c[nH]c(C(C)C)n2)c2ccccc2c1=O 78808983 ZIXYBSYJXRYJRC-UHFFFAOYSA-N 382.424 1.728 50 40 GDGB O=C(O)c1ccccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408676716 BGSAZHWIQYHQIO-PIQGMWHKSA-N 380.194 1.894 50 40 GDGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)N1CCCCC1 3089176 NSCPKBYLYUSAPI-CAOOACKPSA-N 382.214 1.640 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1OC 7907483 CQBQGURAOHNWKQ-UHFFFAOYSA-N 389.433 1.819 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 6497024 VVFONLGTHZPGKI-SSDVNMTOSA-N 386.383 1.429 50 40 GDGB CCN(CC)c1ccc(C(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 32969039 KODULSLQNOSACR-HNAYVOBHSA-N 390.509 1.748 50 40 GDGB Cc1csc(=O)n1CCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 22379189 VASIZWKXXSZENH-UHFFFAOYSA-N 397.840 1.266 50 40 GDGB CC1=C(C#N)C(=O)N(CC(=O)O)C(=O)/C1=C/c1c(C)nn(-c2ccccc2)c1O 35183173 OKPVAASTIZTGTJ-RIYZIHGNSA-N 392.371 1.563 50 40 GDGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(CO)nc1 3085511 LZDCXJQLTQCAEA-UBKPWBPPSA-N 395.169 1.714 50 40 GDGB C/C(CC(=O)Nc1ccccc1Br)=N\NC(=O)C(=O)N1CCCC1 100059295 YXBYVYAOUMXSHS-YBFXNURJSA-N 395.257 1.892 50 40 GDGB COCCn1c(C)cc2c(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 2218945 QRWLUYVWSKUTCE-MRXNPFEDSA-N 382.376 1.930 50 40 GDGB CCOC(=O)[C@H](CSC[C@H](O)CBr)NC(=O)OC(C)(C)C 4060724 GNQDJWAKAYIOFN-ZJUUUORDSA-N 386.308 1.932 50 40 GDGB CN(c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1)S(C)(=O)=O 409130963 OPNUTTBATNKZAC-GZTJUZNOSA-N 376.394 1.755 50 40 GDGB N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)NC1CC1 5595524 PRLXJXPARHVQLX-RVDMUPIBSA-N 378.432 1.686 50 40 GDGB C/C(CC(=O)Nc1cccc(Br)c1)=N\NC(=O)C(=O)N1CCCC1 100059448 KSIZHMWMEKNQBQ-YBFXNURJSA-N 395.257 1.892 50 40 GDGB CSCC[C@H](NC(N)=O)C(=O)NNC(=O)CSc1ccc(Cl)cc1 7779025 OMNRWYVNAWXOQA-NSHDSACASA-N 390.918 1.370 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)cc2OC)cc1 59434153 VWXRYRYESZPKIV-CIAFOILYSA-N 399.403 1.969 50 40 GDGB Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccc(C(=O)O)cc1 9235546 CIBLKQCVSQQMDB-CIAFOILYSA-N 384.436 1.575 50 40 GDGB COc1cc(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)ccc1O 32576940 NNZDDLOAYHFQRI-HMAPJEAMSA-N 382.464 1.669 50 40 GDGB CN1CCN(c2ccc(N(C(=O)CCl)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 217377338 IILNDMQFJBWZSK-MRXNPFEDSA-N 385.917 1.197 50 40 GDGB O=C(O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 13345305 KXNQLPYGJREAKO-UHFFFAOYSA-N 399.768 1.570 50 40 GDGB C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)COc1ccccc1[N+](=O)[O-] 8683021 KIDAEXINJGUKKO-MHWRWJLKSA-N 376.329 1.579 50 40 GDGB COc1ccccc1C(=O)NCCC(=O)NNC(=O)Cc1c[nH]c2ccccc12 12581929 HBNYAZCVQOCPSV-UHFFFAOYSA-N 394.431 1.687 50 40 GDGB NS(=O)(=O)c1ccc(NC(=S)NNC(=O)CCc2ccccc2)cc1 6402834 DVUONUXHYPUMHR-UHFFFAOYSA-N 378.479 1.284 50 40 GDGB Cc1cc(C(=O)NNC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)c(C)o1 14240064 CNFPRYABVWBBQJ-CQSZACIVSA-N 399.494 1.722 50 40 GDGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccccc1F 18193287 HBOWGNACUCMUPJ-RNDVCUHJSA-N 384.392 1.605 50 40 GDGB O=C(NNC(=O)c1nn(-c2ccccc2)c2c1CCCCC2)C(=O)NC1CC1 44349998 OUROZSGMRDXOBV-UHFFFAOYSA-N 381.436 1.181 50 40 GDGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)cc(Br)c1O 408994831 JTEOZACTIQWSAV-APSNUPSMSA-N 376.638 1.590 50 40 GDGB C/C(NNC(=O)c1ccccc1O)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 5352776 ZNRAUANMYLKXPT-FOWTUZBSSA-N 394.387 1.492 50 40 GDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cn(Cc2ccccc2)nn1 12733784 CVBIWADMTXCYRY-ZDUSSCGKSA-N 383.383 1.694 50 40 GDGB CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 4079661 HRZBFBRHFIYEPR-WSDLNYQXSA-N 385.420 1.983 50 40 GDGB Cc1cccc2c1NC(=O)/C2=N\NC(=O)[C@H](C)n1cnc2ccccc2c1=O 100279620 FXWRWUQTFGQAFG-LBPRGKRZSA-N 375.388 1.739 50 40 GDGB COCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)CC(=O)N1 6441091 IPXCBDWKRMZXSW-HNNXBMFYSA-N 389.477 1.920 50 40 GDGB Cc1cc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)no1 7939993 JILLSHXEVIYFSA-UHFFFAOYSA-N 388.380 1.096 50 40 GDGB COc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC 3358925 XOPMZFDQTCWRFC-UHFFFAOYSA-N 388.376 1.558 50 40 GDGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccc2c(c1)OCCO2 3081232 MLCCKRSTQMIKTM-CAOOACKPSA-N 388.292 1.744 50 40 GDGB CCOc1ccccc1OCCC(=O)NNC(=O)COc1ccccc1C#N 15978277 WRHXFFXJDISCHX-UHFFFAOYSA-N 383.404 1.952 50 40 GDGB COc1ccc(NC(=O)/C(C#N)=C2\C(=O)Nc3cc4c(cc32)OCCO4)cn1 61720239 ODPIPDJSCTWRFC-ATVHPVEESA-N 378.344 1.729 50 40 GDGB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)c1ccccc1O 14201559 CHTYFBMTKIVVDP-AWEZNQCLSA-N 397.478 1.218 50 40 GDGB C#CCOc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1Br 19851636 QRZMTYANTXOZCD-WOJGMQOQSA-N 380.242 1.243 50 40 GDGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccco1)S(C)(=O)=O 408780651 HCWHURRLVODPKF-RQZCQDPDSA-N 385.829 1.858 50 40 GDGB O=C(CCN1CCOCC1)NN=Cc1ccc(OC(=O)c2cccnc2)cc1 254566502 IVOHJSSRNNYMTI-UHFFFAOYSA-N 382.420 1.473 50 40 GDGB O=C(N/N=C/c1ccc(O)c(O)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 12911347 CVZIFIINTGFMTB-XDHOZWIPSA-N 389.433 1.646 50 40 GDGB O=C(N[C@H](CO)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)OCc1ccccc1 6646018 GMPWKYQGZHOMBM-MWJIIQFGSA-N 386.364 1.332 50 40 GDGB COc1cc(OC)c(/C=N/NC(=O)CN2CCOCC2)cc1Br 408735342 NQEGMUIMJFTZJI-RQZCQDPDSA-N 386.246 1.249 50 40 GDGB O=C(NNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccccc1 408686528 RPLPZLHOIGQMSK-PTEOKISQSA-N 379.210 1.019 50 40 GDGB CN(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 6356942 XVMFRTVLBWCFFE-VCHYOVAHSA-N 375.406 1.186 50 40 GDGB CCN1C(=O)C(=CNNC(=O)c2cc(Cl)ccc2O)C(=O)N(CC)C1=S 6550788 BJOOXDLKVZQWFM-UHFFFAOYSA-N 396.856 1.159 50 40 GDGB COCCN1C(=O)/C(=C\Nc2ccc(SC#N)cc2C)C(=O)NC1=S 102908534 PEGLIWHEYOWKQW-WQLSENKSSA-N 376.463 1.754 50 40 GDGB CN(C)S(=O)(=O)N1CCN(C(=O)CCCC[C@H]2CCSS2)CC1 45432384 VQFIUIBLTHITFK-ZDUSSCGKSA-N 381.589 1.651 50 40 GDGB C[C@H](C(=O)N/N=C/c1ccccc1[N+](=O)[O-])N(c1ccccc1)S(C)(=O)=O 408906061 AIOXJSDJBVXRFZ-RNEAKCBISA-N 390.421 1.900 50 40 GDGB COc1ccccc1C(=O)NN[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 101082451 DUFLIGNHAFJSLU-AWEZNQCLSA-N 397.387 1.033 50 40 GDGB COc1ccc(/C(C)=N/NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 13562103 HLSGNUQOGBMMPL-FWVFGPMWSA-N 396.403 1.973 50 40 GDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2ccccc2F)cc1 6509123 VKKAXFZBQPCIFA-UHFFFAOYSA-N 393.440 1.145 50 40 GDGB CC(C)(C)OC(=O)N[C@H](CCCNC(N)=O)C(=O)Oc1ccc([N+](=O)[O-])cc1 213484883 PMMYKHSVTAQXLJ-CYBMUJFWSA-N 396.400 1.842 50 40 GDGB Cc1ccc([C@@H](CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)NC(N)=O)cc1 12820223 KEBJOIKSBTYQRJ-OAHLLOKOSA-N 385.380 1.464 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 6326059 IGGNKKROHCZPMW-WSDLNYQXSA-N 382.420 1.599 50 40 GDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)cc1OC 4851046 YRCUIAMQQZPIQD-KRWDZBQOSA-N 383.404 1.384 50 40 GDGB O=C(C[C@@H]1C(=O)NCCN1C(=O)CBr)OCCCc1ccccc1 35604987 WDWPDVFEEJHOGH-CQSZACIVSA-N 397.269 1.274 50 40 GDGB CN(C)N(C(=O)COc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 5298384 PBDRJKDWCQXQIW-LBPRGKRZSA-N 391.287 1.320 50 40 GDGB O=C(NNC(=O)c1nc(N2CCOCC2)ncc1Cl)c1ccc(Cl)cc1 40123117 MNBLICPTPKNBOE-UHFFFAOYSA-N 396.234 1.695 50 40 GDGB Nc1ccccc1C(=O)N/N=C1\C2CN3CCN(C2)CC1(Cc1ccccc1)C3 95483284 IBPSTAAVVMESRQ-NJNXFGOHSA-N 389.503 1.845 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(OC)c2)c1 6953921 YKFGEBBTLQGOAF-WSDLNYQXSA-N 398.419 1.299 50 40 GDGB N#C/C(C(=O)NN1C(=O)[C@H]2CCCC[C@H]2C1=O)=C(/O)c1ccc([N+](=O)[O-])cc1 102044845 RIARNESYNMFFND-XERXXXIQSA-N 384.348 1.594 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C)c1 8571365 MCMMPLJLNGSKAX-YDZHTSKRSA-N 394.431 1.765 50 40 GDGB O=C(O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 102539351 GLGYQBLEXPNSGK-HKLHZYFVSA-N 380.194 1.894 50 40 GDGB C/C(N)=C(/C#N)C(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101088549 PCCYXMDXUKAHGC-NNQSMMQSSA-N 387.436 1.221 50 40 GDGB O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccccc2O)[nH]1)c1ccccc1O 67317214 ACQQVZXJOJZWHO-XHQRYOPUSA-N 391.387 1.954 50 40 GDGB O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(Br)cc1 409381471 HCWFYCLQARCMQW-XRRVDJEJSA-N 379.210 1.733 50 40 GDGB CN(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccccc1 6356950 RLAMXAXVEXYDPY-WOJGMQOQSA-N 375.406 1.156 50 40 GDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1O 32926595 XGKUJTHPOCKVHD-MHWRWJLKSA-N 392.415 1.779 50 40 GDGB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)nn1 1586115 ZKYQDAXCUAFGGF-UHFFFAOYSA-N 385.833 1.646 50 40 GDGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c1O 101708890 FZVNXKVSEDZKLA-LVQUCBIMSA-N 398.375 1.289 50 40 GDGB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1 32969063 IYNXWIJSZXGCDK-WBMJQRKESA-N 378.473 1.593 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2F)c1-c1ccccc1 705537 BAIVEDGFCIFENQ-UFFVCSGVSA-N 392.354 1.803 50 40 GDGB CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c1 28664035 XDPVSKBGFASTPJ-HNNXBMFYSA-N 384.436 1.659 50 40 GDGB O=C(C[C@H]1C=CCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8192411 CVINJNTUOBZLEI-AWEZNQCLSA-N 377.466 1.588 50 40 GDGB Cc1nc(CC(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cs1 95939660 XBGKUTLEXZKOIE-UHFFFAOYSA-N 397.501 1.630 50 40 GDGB CCOc1cccc(/C=N\NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)c1O 223161357 LPFBLLRQTSEQDS-JAIQZWGSSA-N 385.376 1.666 50 40 GDGB N#CC1=C(N)n2c(s/c(=C/c3ccccc3)c2=O)=C(C#N)[C@H]1c1ccccc1 704309 VZVPFQJNXVRHOJ-MVDPLZLPSA-N 382.448 1.861 50 40 GDGB CC(=O)N[C@H](CC(=O)NNC(=O)Cc1nc2ccccc2n1C)c1ccccc1 5269042 VUYSIKMFUDSMQH-QGZVFWFLSA-N 393.447 1.531 50 40 GDGB N#Cc1ccc(Nc2cccc([C@@H]3CCCN3Cc3ccc(B(O)O)o3)n2)cn1 585295380 XHBPQMZFOFNMES-SFHVURJKSA-N 389.224 1.702 50 40 GDGB CCCOc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccco2)cc1OC 12882577 UAMXLTXLKICCPZ-UHFFFAOYSA-N 389.408 1.658 50 40 GDGB CC1(C)[C@@]2(CBr)CC[C@@]1(C(=O)NCCN)[C@H](Br)C2=O 103707973 NAUZHLKPFNYNAP-WQHBLYJGSA-N 396.123 1.595 50 40 GDGB O=C(O)c1cccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCC3)c1 12758235 WONYTKNUTLBBHW-UHFFFAOYSA-N 380.447 1.948 50 40 GDGB O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccc(-n2cnnn2)cc1 7652753 CDTFAXMBMYHPRI-UHFFFAOYSA-N 376.298 1.756 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccs2)cc1C 16282991 IWDYIEWWRNOQQU-YVLHZVERSA-N 381.479 1.836 50 40 GDGB O=C(NNC(=O)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F)c1ccco1 28404925 QPIOZHMMZKOYQE-UHFFFAOYSA-N 382.258 1.055 50 40 GDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1Br 18130515 SSSRYZYLWAXBJN-NSHDSACASA-N 375.182 1.759 50 40 GDGB COc1cc(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1OC 7428627 ICQPERUVTGUHOZ-UHFFFAOYSA-N 391.405 1.207 50 40 GDGB COc1ccc(N(CC(=O)NN=C2CCCCC2)S(C)(=O)=O)c(OC)c1 408771696 BBRDSDWPTLHRRP-UHFFFAOYSA-N 383.470 1.906 50 40 GDGB CN(c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1)S(C)(=O)=O 409130523 IHSOOHQYTSLWGZ-GZTJUZNOSA-N 376.394 1.755 50 40 GDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NN1C(=O)c2cccc3cccc(c23)C1=O 16693820 JJBWGVNMBBCBST-YBEGLDIGSA-N 386.367 1.663 50 40 GDGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)c1cccnc1 2247713 YNBPVEASZASOLK-UHFFFAOYSA-N 381.417 1.994 50 40 GDGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1c(O)ccc2ccccc12 3092704 WNZIEONRZBAICP-UFWORHAWSA-N 378.352 1.164 50 40 GDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccco1 32794902 CQYISODHNNRCHG-JTQLQIEISA-N 392.209 1.856 50 40 GDGB O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@H](O)CCl)CC1 25427146 CJHAAMVPMTULSJ-GFCCVEGCSA-N 397.722 1.355 50 40 GDGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1 3360369 VNCGSUBBLVWZNQ-RVDMUPIBSA-N 384.436 1.971 50 40 GDGB CC[C@@H](C)N1C(=O)/C(=C/NNC(=O)c2ccccc2Cl)C(=O)NC1=S 9317971 GORVOMJQIFFZAX-FJUNDMEASA-N 380.857 1.500 50 40 GDGB CCCCC(=O)NN/C=C1\C(=O)N=C(O)N(CCc2ccc(F)cc2)C1=O 16975571 ZJKUZFLUUICGNN-SDNWHVSQSA-N 376.388 1.346 50 40 GDGB NNC(=O)[C@H]1CN(C(=O)c2ccc(Br)cc2)c2ccccc2O1 225330542 QFHUVEBCYIBYDK-CQSZACIVSA-N 376.210 1.847 50 40 GDGB Nc1nc(OCc2ccccc2)c2c(ncn2CCNC(=O)NCCCl)n1 521218417 KAUJKINNSKTSSA-UHFFFAOYSA-N 389.847 1.526 50 40 GDGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)N2 4942674 UITYHLSEFPXXAP-LLVKDONJSA-N 378.219 1.642 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(F)c2)c1-c1ccccc1 713464 SJVDVZDLXBWSKJ-UFFVCSGVSA-N 392.354 1.803 50 40 GDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cn(Cc2ccccc2)nn1 12733782 CVBIWADMTXCYRY-CYBMUJFWSA-N 383.383 1.694 50 40 GDGB C=CCNC(=O)/C(C#N)=C/c1c(N2C[C@@H](C)O[C@H](C)C2)nc2ccccn2c1=O 5023805 JNZUVUDUWHXGKI-BAQSSVPWSA-N 393.447 1.517 50 40 GDGB O=C(NC(=S)NNC(=O)c1cccs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502235 HGEJRMULCGSESA-UHFFFAOYSA-N 395.378 1.514 50 40 GDGB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc(-n2c(C)ccc2C)cc1 32969070 ZVRDKOJDKONLJI-YVEFUNNKSA-N 385.468 1.938 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 58881518 HCFLYVBBBVWZGH-RGVLZGJSSA-N 385.376 1.336 50 40 GDGB C/C(Cl)=C\Cn1c(SC[C@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 26642011 JXWVPZKQEXVOBY-HOOMWESVSA-N 379.269 1.258 50 40 GDGB Nc1nonc1-n1nnc(C(=O)NN=C2CCCC2)c1-c1ccc([N+](=O)[O-])cc1 8826758 SHLLSMZBIDKGGS-UHFFFAOYSA-N 397.355 1.468 50 40 GDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccnc1 57499773 NCURSBBBHVCSOQ-LBPRGKRZSA-N 392.337 1.915 50 40 GDGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3OC)CC2=O)cc1 408614473 CPFFTICFLHRDOV-CQSZACIVSA-N 397.431 1.908 50 40 GDGB CCOc1ccc(C(=O)NN)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224797767 DRSWYDTYRWTQRA-UHFFFAOYSA-N 381.429 1.794 50 40 GDGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OC(C)=O 793465 KBZIPFNUDBVPSL-RGVLZGJSSA-N 394.391 1.424 50 40 GDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1Cl 7955261 BJRUCSKXKVKOPU-SSDOTTSWSA-N 395.662 1.298 50 40 GDGB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(C)cc3)C2=O)cc1 408536937 UBJJDFDSYNKGNO-XYHOIZSOSA-N 394.387 1.618 50 40 GDGB COc1cc(C(=O)NNC(=O)CN2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC 14246892 FELIRJVZNWRYFG-CHWSQXEVSA-N 379.457 1.451 50 40 GDGB Cc1n[nH]c2c1[C@@H](c1ccccc1OC(=O)N1CCOCC1)C(C#N)=C(N)O2 1438033 BSVWHAHFBLAGLE-INIZCTEOSA-N 381.392 1.767 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc(OC)c1OC 1005760 DPMRZNFQMHZCNZ-VXGBXAGGSA-N 378.381 1.140 50 40 GDGB biogenic,in-vitro COc1ccccc1/C=C\C(=O)NCC(=O)N/N=C/c1cccc(OC)c1O 4815425 DLDZSVVUEOZRLZ-MGHXBXHLSA-N 383.404 1.689 50 40 GDGB COCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1 6441116 NGEHDEPWVGNMDL-CQSZACIVSA-N 375.450 1.530 50 40 GDGB O=C(NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1cc(Br)c[nH]1 45077380 WRGUWSNACVDETP-CYBMUJFWSA-N 395.188 1.871 50 40 GDGB Cc1cc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)o1 12846631 FUQKVWMRAMPXLX-IBGZPJMESA-N 384.392 1.125 50 40 GDGB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NNC(=O)c1ccccn1 4676762 LLZBRSLLCLOBGD-UHFFFAOYSA-N 399.426 1.111 50 40 GDGB CN(C)N(C(=O)COc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 8770652 FLSZNDVSDOMMRJ-JTQLQIEISA-N 381.281 1.865 50 40 GDGB COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc(OC)c1OC(C)=O 408974213 DJHVBUOLXUNGCR-AWNIVKPZSA-N 397.391 1.336 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 6953869 UQUKGQRARZMPTH-FSJBWODESA-N 396.447 1.907 50 40 GDGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)[C@H]1COc2ccccc2O1 2285562 CAXCRTKSUNICJW-LCLGRWFKSA-N 392.415 1.883 50 40 GDGB O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1coc(=O)c(Br)c1 2371291 GXZAHPVPEKCBCP-NWDGAFQWSA-N 377.194 1.967 50 40 GDGB CC(C)CN1C(=O)[C@@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2ccccc21 72405651 QPFLDTYSMQOWID-OAQYLSRUSA-N 378.432 1.814 50 40 GDGB CCN1C(=O)C(=C(C)NNC(=O)Cc2ccc(F)cc2)C(=O)N(CC)C1=S 6585550 YFKAIXFFQDBACD-UHFFFAOYSA-N 392.456 1.259 50 40 GDGB Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 4348998 NILKHZIMUXBDJQ-OAHLLOKOSA-N 382.376 1.778 50 40 GDGB COc1ccc(-n2nc(C(=O)N/N=C\c3cccnc3)c(C)c(C#N)c2=O)cc1 409057560 HJRJDGRMLFVLJK-FMCGGJTJSA-N 388.387 1.580 50 40 GDGB NNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408584416 PNBLECTULOTLJG-AWEZNQCLSA-N 398.282 1.329 50 40 GDGB COc1ccc(C(=O)NN)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224786760 JOUWRSRTJYQECX-UHFFFAOYSA-N 383.857 1.773 50 40 GDGB CCNC(=O)/C(C#N)=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 9419774 WCGCOIXNUNCODR-TVNIQBKPSA-N 390.490 1.305 50 40 GDGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccncc3)s2)cc1 677170 UHYRVNRMARXSCW-RGVLZGJSSA-N 396.432 1.887 50 40 GDGB O=C(O)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 408685292 LFXWJZFKSJXBCY-DZDPUUJWSA-N 380.194 1.894 50 40 GDGB CCNC(=O)/C(C#N)=C\N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 36589867 WCGCOIXNUNCODR-ICINYPIUSA-N 390.490 1.305 50 40 GDGB O=C(c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)N1CCOCC1 5002163 OCWDNLPGQPQVKF-UHFFFAOYSA-N 395.308 1.627 50 40 GDGB CC1=C(C#N)[C@@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1 4127394 QYZGDIUFRFBDCL-LBPRGKRZSA-N 379.747 1.847 50 40 GDGB Cn1c(=O)c2[nH]c(-c3ccc(N(CCCl)CCCl)cc3)nc2n(C)c1=O 1627383 MXLLIDYHSZFZSZ-UHFFFAOYSA-N 396.278 1.911 50 40 GDGB O=S1(=O)CC[C@H](NC(=S)OCC(Br)Br)C1 59568556 VNOKIERGOBMAPJ-YFKPBYRVSA-N 381.111 1.181 50 40 GDGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1cccc(F)c1 108247957 QHRGRPBPHICVGD-MOSHPQCFSA-N 377.441 1.780 50 40 GDGB O=C(C[C@@H]1C=CCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8192414 CVINJNTUOBZLEI-CQSZACIVSA-N 377.466 1.588 50 40 GDGB COCc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 8185092 DBGDVSJUVJVMGP-UHFFFAOYSA-N 391.449 1.158 50 40 GDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccccc1Br 13777102 NJUFNBUOFHKKJI-UYRXBGFRSA-N 377.198 1.418 50 40 GDGB O=C(CCC(=O)NNC(=O)c1ccc(-c2ccccc2)o1)NC[C@@H]1CCCO1 8381690 LIQXHBODLRXUDX-HNNXBMFYSA-N 385.420 1.783 50 40 GDGB CC(=O)N[C@H](CSc1cc(C)nc2ccc(Br)cc12)C(=O)NN 5516517 RZMFZQSMJOPVTQ-CYBMUJFWSA-N 397.298 1.892 50 40 GDGB Cc1[nH]nc(O)c1CCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 5625790 YZVLAGQOEVDFEE-UHFFFAOYSA-N 392.213 1.591 50 40 GDGB O=C(NNc1nc(N2CCCC2)nc(N2CCOCC2)n1)Nc1ccccc1 408726403 SNSOHMWYMUFEAB-UHFFFAOYSA-N 384.444 1.457 50 40 GDGB O=C(NN[C@@H]1CC(=O)N(c2ccccc2)C1=O)/C(=C/c1ccccc1)CCO 1246408 IWESXLIAYBKDFF-IYICPGQYSA-N 379.416 1.405 50 40 GDGB COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1OC 3473077 IZEWRQIZCGLHMG-UHFFFAOYSA-N 392.795 1.975 50 40 GDGB COc1ccc(NCC(=O)NNC(=O)CCNC(=O)Cc2ccccc2)cc1 12741726 LTHQGJVJECZOMR-UHFFFAOYSA-N 384.436 1.004 50 40 GDGB CC1(CC(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)OCCO1 408587769 HEYTYUKORHIRNG-LDADJPATSA-N 378.385 1.035 50 40 GDGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)ccc1O 408790293 ORCJKUDKURTSLJ-VXLYETTFSA-N 395.412 1.456 50 40 GDGB COc1ccccc1OCC(=O)N/N=C1\C(=O)Nc2c(C)cc([N+](=O)[O-])cc21 15133423 XQYMNUNVMOZZBY-UHFFFAOYSA-N 384.348 1.763 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 6578725 WEMSAVRKFFAGFN-UFFVCSGVSA-N 388.811 1.554 50 40 GDGB CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc3c(c2)OCO3)s1 59498832 JQFYKIOCFHSAOB-QGMBQPNBSA-N 389.437 1.944 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccnc2)cc1Cl 39986668 GTXDEFHURJCXMB-GRSHGNNSSA-N 396.856 1.514 50 40 GDGB O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cc(B(O)O)ccc1F 1135809021 BZFAWQHCHVZVFI-UHFFFAOYSA-N 384.147 1.762 50 40 GDGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCCOC)=C2C#N)cc1 6355261 PHUSVJJGLCIMER-HNNXBMFYSA-N 389.477 1.920 50 40 GDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(F)cc2)CC1 59434030 CWLKXAQYEXRMIU-HYARGMPZSA-N 384.411 1.633 50 40 GDGB N#CC(C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)=C1Nc2ccccc2N1 5111409 XNOXWXPLNTZVOQ-UHFFFAOYSA-N 387.355 1.922 50 40 GDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3OC)CC2=O)cc1 68933369 AOZVGOHBLWTYIE-ZDUSSCGKSA-N 383.404 1.518 50 40 GDGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)cc1C 408770873 BVCOTQBMJVYVOJ-YBFXNURJSA-N 375.450 1.925 50 40 GDGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)Cc2csc(N)n2)cc1 100752731 JYBRJNISTBOFSK-SRZZPIQSSA-N 375.454 1.475 50 40 GDGB IC[C@H]1OO[C@H]1[C@H]1OO[C@H]1CI 104055832 MJPRKZQWHUKEGW-FBXFSONDSA-N 397.934 1.254 50 40 GDGB NNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408589792 FOBOIUXEGDLIJJ-ZDUSSCGKSA-N 388.276 1.873 50 40 GDGB CC(C)(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NN 1643473 YNBJUYDCRZPVAC-KRWDZBQOSA-N 398.463 1.409 50 40 GDGB Cc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 4953434 MZUUHLKPABIJFF-QOCHGBHMSA-N 378.432 1.765 50 40 GDGB C/C(N)=C(/C#N)C(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101088553 PCCYXMDXUKAHGC-LTRVDGAMSA-N 387.436 1.221 50 40 GDGB COC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 2293783 OTOKVEONYJHTQA-CHWSQXEVSA-N 390.377 1.391 50 40 GDGB Cc1cccc(OCC(=O)NNC(=O)c2ccc3c(=O)n(C)c(S)nc3c2)c1 17199037 AUSBDNLYCWEELJ-UHFFFAOYSA-N 398.444 1.371 50 40 GDGB COc1ccccc1OCC(=O)NNC(=O)CCC(=O)NCc1ccccc1 4604056 YYIZGUTVUKQXIZ-UHFFFAOYSA-N 385.420 1.318 50 40 GDGB Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1 409267113 STKSSAVEOVILTM-WSDLNYQXSA-N 394.431 1.741 50 40 GDGB CCS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96519247 ALWLLQIBCUYGTF-VHSXEESVSA-N 385.179 1.824 50 40 GDGB Cc1cccc(OCC(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1 15667917 ZANMEJVPZOSMFQ-UHFFFAOYSA-N 392.415 1.491 50 40 GDGB CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1C(C)C 2403325 LJZBOAFGWAOTSB-DJKKODMXSA-N 384.400 1.519 50 40 GDGB CCc1ccc(OCC(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 32976215 FETUGGFVOWTXPZ-KSSFIOAISA-N 377.466 1.229 50 40 GDGB C[C@@H](NC(=O)COCC(=O)NNC(=O)CCc1ccccc1)c1ccccc1 4696083 BUAJWZHUTLRCCG-MRXNPFEDSA-N 383.448 1.661 50 40 GDGB CCOCCO[Si](OCCOCC)(OCCOCC)OCCOCC 195767177 OTTUQUOINFJTBJ-UHFFFAOYSA-N 384.542 1.634 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1OCCC(C)C 12941553 CLBMKOKZZQJLME-CQSZACIVSA-N 398.481 1.316 50 40 GDGB O=C(CCNC(=O)c1ccccc1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 6510284 UIDFUQAMNNAHJL-UHFFFAOYSA-N 377.404 1.658 50 40 GDGB NNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408584417 PNBLECTULOTLJG-CQSZACIVSA-N 398.282 1.329 50 40 GDGB O=C(CN1CCCc2ccccc21)NNC(=O)Cn1ccc(C(F)(F)F)n1 5699033 KQEHUQDFRKFHRB-UHFFFAOYSA-N 381.358 1.502 50 40 GDGB CCOc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)ccc1O 6537468 BNOCOZUENDHKHJ-XDHOZWIPSA-N 391.449 1.562 50 40 GDGB COc1ccccc1N1C(=O)/C(=C/NNC(=O)c2ccccc2)C(=O)N=C1O 17162517 CIBMZPLXLARLHW-ACCUITESSA-N 380.360 1.301 50 40 GDGB C=CCN1C(=O)/C(=N/NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 18192132 UAXQLRHELNZJOK-WOZMKZOTSA-N 388.427 1.569 50 40 GDGB O=C(COCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccncc1 4694262 ONJACAVENLAUEJ-UHFFFAOYSA-N 396.325 1.517 50 40 GDGB O=C(NN/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O)c1ccncc1 9046836 FDSOLFPDKUXAGI-LCYFTJDESA-N 385.767 1.977 50 40 GDGB COC(=O)NNC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 95946556 VBIGZGXAYBHGNZ-UHFFFAOYSA-N 383.470 1.725 50 40 GDGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)c1 409253455 GGZQQOAOUCVDLL-WSDLNYQXSA-N 394.431 1.741 50 40 GDGB COc1cccc(/C=N/NC(=O)Cc2nnc(NC(=O)CCl)s2)c1O 408732800 ZFNLFMSZWICFQC-FRKPEAEDSA-N 383.817 1.122 50 40 GDGB O=C(N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccco1 408962172 QSGSAZGQAMXAHZ-MTJSOVHGSA-N 380.404 1.857 50 40 GDGB Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1 8571363 JPZDOIQHQZTYSL-WSDLNYQXSA-N 396.447 1.987 50 40 GDGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccncc2)S(C)(=O)=O)cc1 20214731 QVURGRQTAKCMBW-KZKLBEMASA-N 376.438 1.395 50 40 GDGB CCc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1 12927213 BABFFJXFRUUGSF-UHFFFAOYSA-N 386.271 1.973 50 40 GDGB N#C/C(C(=O)N1CCOCC1)=C1/N=C(NC(=O)c2ccco2)c2ccccc21 5323538 VLBNFHIBZIGGBD-ICFOKQHNSA-N 376.372 1.563 50 40 GDGB Cn1c(Cc2ccccc2)nnc1SCC(=O)NNC(=O)Cc1ccccc1 869883 NHUQJAUHEBEKNZ-UHFFFAOYSA-N 395.488 1.888 50 40 GDGB COc1cc(Br)c(OC)c(C(=O)NNC(=O)c2cnccn2)c1 27132377 FAERCFSYRZRFGF-UHFFFAOYSA-N 381.186 1.331 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccc(F)cc2F)cc1 12768015 XEZYFVLIPYNCFH-UHFFFAOYSA-N 377.347 1.555 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c1 408907822 STHBXRSTQKENKD-XDHOZWIPSA-N 391.449 1.620 50 40 GDGB C[C@H](Oc1ccccc1F)C(=O)NNS(=O)(=O)c1ccc2c(c1)OCCO2 7383612 HVBSDZQONFUMDP-NSHDSACASA-N 396.396 1.374 50 40 GDGB C[C@@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)N(c1ccccc1)S(C)(=O)=O 408925236 NWHYADOBOJGSTC-MDBUFAAASA-N 389.433 1.720 50 40 GDGB C[C@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)N(c1ccccc1)S(C)(=O)=O 408925244 NWHYADOBOJGSTC-OTGIAGGSSA-N 389.433 1.720 50 40 GDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1 58873447 JDOYHFSTHQURHA-CIAFOILYSA-N 388.468 1.489 50 40 GDGB Cc1c(/C=N/NC(=O)[C@H]2COc3ccccc3O2)n(C)n(-c2ccccc2)c1=O 33044064 AEBGAWNJLSCIHI-VVJWVBNBSA-N 392.415 1.775 50 40 GDGB Cn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1-c1ccncc1 5847189 MSDHHJJGIYXLEO-UHFFFAOYSA-N 386.412 1.570 50 40 GDGB C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1ccc(Br)cc1 40142864 ATDHWDVKPRTJJI-SNVBAGLBSA-N 382.258 1.905 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C 6879507 INSYTOCDJWTHPP-YDZHTSKRSA-N 396.447 1.989 50 40 GDGB COc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br 59246553 LDFUIFOZQAJMDU-IUXPMGMMSA-N 390.665 1.893 50 40 GDGB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1cccs1 14185723 SIOKSJPLBNXRPM-CQSZACIVSA-N 381.479 1.512 50 40 GDGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1n[nH]c(=O)c2ccccc12 6508022 ZQFNHQDVYHZTDB-YBFXNURJSA-N 383.433 1.585 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1 7050398 YSDHAABBNGBRED-UHFFFAOYSA-N 390.396 1.643 50 40 GDGB O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccccc1O 40069149 UNCGFVFOUSYADC-HNNXBMFYSA-N 389.433 1.007 50 40 GDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 8239508 DYHZSBIMYNGOQN-LLVKDONJSA-N 385.351 1.037 50 40 GDGB COc1ccc(-n2c(SCC(=O)NNC(C)=O)nnc2-c2cccnc2)cc1 4855330 OYBMWHWYDFDCDO-UHFFFAOYSA-N 398.448 1.597 50 40 GDGB C/C(=N\NC(=O)C[C@@H]1C=Nc2ccccc21)c1nnn(-c2nonc2N)c1C 15162798 HYRNEDVEPTXGSW-GXBAXFRPSA-N 379.384 1.271 50 40 GDGB CCCCCC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 12869682 CGWYJKQGPUPNOH-UHFFFAOYSA-N 375.878 1.688 50 40 GDGB O=C(O)CCN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 2317476 FHBPPJNBSKRQRH-FQXPNUMPSA-N 395.047 1.239 50 40 GDGB O=C(COC(=O)c1ccccn1)NNC(=O)c1ccc(Br)cc1 7987102 ZFBOMUHKQZFBFR-UHFFFAOYSA-N 378.182 1.462 50 40 GDGB CN1C(=O)/C(=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c2ccccc21 409327919 NNWXGSNSFDDYLN-ZBJSNUHESA-N 378.432 1.629 50 40 GDGB O=C(NCc1ccc(/C=N/NC(=O)c2ccco2)o1)C(=O)Nc1ccccc1 408773610 VQTCEUCJLPWHME-CIAFOILYSA-N 380.360 1.891 50 40 GDGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1OC 408801944 XESJYAVXNSZOFW-XNTDXEJSSA-N 376.409 1.697 50 40 GDGB Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccc2ccccc2n1 12778634 AKRDGROXBUFJPF-UHFFFAOYSA-N 385.401 1.865 50 40 GDGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCOCC3)=C2C#N)cc1 409321320 FNTGALNWLHQSHD-OAHLLOKOSA-N 387.461 1.626 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC 5670091 DJMNJUJFFVGDLL-MRXNPFEDSA-N 388.376 1.313 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1cccc(F)c1 409110140 SHSKLDQXEZXUCL-VCHYOVAHSA-N 394.384 1.650 50 40 GDGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1 6375715 GMDFVRVREHONLQ-YDZHTSKRSA-N 396.447 1.926 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)ccc1Cl 12784906 KOKOYBNAEFGLDJ-UHFFFAOYSA-N 396.852 1.892 50 40 GDGB COc1ccc(Cn2cc(C(=O)NN=C3C(=O)Nc4c(C)cccc43)nn2)cc1 1772820600 YYGUFPVMOAZQNZ-UHFFFAOYSA-N 390.403 1.730 50 40 GDGB Cc1ccc(/C(=N/NC(=O)Cc2ccccc2)C23CN4CN(CN(C4)C2)C3)cc1 100048765 PGRWGVAEXWWXRA-LVWGJNHUSA-N 389.503 1.864 50 40 GDGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2coc3ccccc3c2=O)cc1 2750777 BONWRVPSTLLEFD-KEBDBYFISA-N 399.428 1.530 50 40 GDGB CCOC(=O)c1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3)C2=O)cc1 18180436 MREQDZLANPBCTK-INIZCTEOSA-N 381.388 1.430 50 40 GDGB COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc2c1OCO2 4102578 MERFWIICGLAQAY-MAUKXSAKSA-N 389.415 1.779 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)cc1 14245584 JBNDIYWMDROXQL-GOSISDBHSA-N 383.404 1.660 50 40 GDGB Cc1nn(CC(=O)NNC(=O)c2ccc(Br)cc2)c(C)c1[N+](=O)[O-] 17330564 BRXNNEHYWUNTFL-UHFFFAOYSA-N 396.201 1.632 50 40 GDGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 19953915 OPPBCVVLIBMHED-XDHOZWIPSA-N 391.449 1.620 50 40 GDGB Cc1ccccc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(C)(=O)=O 5447737 XCLUGSACGHBXNJ-UHFFFAOYSA-N 386.433 1.234 50 40 GDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 6579805 XCLHZTMJKHNICC-OEAKJJBVSA-N 399.447 1.877 50 40 GDGB N#CC(C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O)=C1Nc2ccccc2N1 6082862 FZNOZLZEAUJLIH-UHFFFAOYSA-N 379.376 1.562 50 40 GDGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 6230212 ONEFTZLJBAVKKL-LPYMAVHISA-N 395.444 1.822 50 40 GDGB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(B(O)O)cc3)n2)cc1 1144375438 RWNILDSYESMUJA-UHFFFAOYSA-N 395.249 1.378 50 40 GDGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1cccc(Br)c1 12362253 HGCTVWLCKQLGAL-VXLYETTFSA-N 399.245 1.032 50 40 GDGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2OC)c(OC)c1 5513239 VLZJZKWKBQRVJI-RGVLZGJSSA-N 387.392 1.810 50 40 GDGB CCCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3O)C2=O)cc1 2210661 VTJIVJXXHJPGSJ-MRXNPFEDSA-N 383.404 1.748 50 40 GDGB O=C(CCCC(=O)OCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1 7939989 GDGYBAAGMJVUPP-UHFFFAOYSA-N 383.404 1.800 50 40 GDGB COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NCCOC)c2ccccc21 1835854 NHBPHZVVBGAVOY-RVDMUPIBSA-N 384.436 1.073 50 40 GDGB CSc1ncccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 12803719 NQAVAPWSYWKEAW-UHFFFAOYSA-N 379.467 1.171 50 40 GDGB COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 4544189 MWEUDCXEUZBNLB-YDZHTSKRSA-N 397.431 1.983 50 40 GDGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)OC 4525031 VWHUWQSWWYUZKR-LRQZKABGSA-N 388.420 1.839 50 40 GDGB NC(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)COc1ccccc1Cl 6557959 XWYLQIWYLLMONI-CQSZACIVSA-N 390.827 1.146 50 40 GDGB COC(=O)c1cc(C(=O)NNC(=O)Cc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1 9635236 PLZNSLGYOCAKRT-UHFFFAOYSA-N 397.347 1.261 50 40 GDGB COc1cc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc(OC)c1O 5720141 WBONWUJQYMBIJF-RSFOSLOZSA-N 397.431 1.876 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1 6544501 DIMAHVDDGDPQFV-YBFXNURJSA-N 379.413 1.605 50 40 GDGB O=C(N/N=C1/CCS(=O)(=O)c2ccc(F)cc21)c1ccc2c(c1)OCO2 33044045 VNMUNSSUMWKSAU-UYRXBGFRSA-N 376.365 1.866 50 40 GDGB COc1ccc(CC(=O)NNC(=O)c2n[nH]c3c2CCCC3)c(OC)c1OC 12531478 JHDNWEICEGAXAP-UHFFFAOYSA-N 388.424 1.318 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 408771620 JUDBPGLDVPFZFO-VCHYOVAHSA-N 394.384 1.650 50 40 GDGB COC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1 409359343 BMIACBZBQVDIFF-MTJSOVHGSA-N 384.388 1.702 50 40 GDGB C/C(N)=C(\C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 104658447 MNNILSOTYMGNFB-QBFSEMIESA-N 397.478 1.017 50 40 GDGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccncc3)C(=O)NC2=S)cc1 408764685 SIODFHIRIJVRFQ-FHOUHHFSSA-N 381.417 1.170 50 40 GDGB NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 408904824 PDTXZIXKHUHGIW-DJKKODMXSA-N 388.405 1.701 50 40 GDGB O[C@@H]1[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)O[C@@H](CCl)[C@@H]1O 1529040335 PVJGDYDNVNCGBT-WGAMJEFJSA-N 379.848 1.285 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1 6312905 QGWPOZVBMSUZNK-LPYMAVHISA-N 380.404 1.456 50 40 GDGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(=O)N1CCCCC1 4852691 MEYBMOGMGNVNTJ-JTQLQIEISA-N 388.251 1.921 50 40 GDGB COc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccccc2)n1N 32669866 YOSSSWZUABBCDL-UHFFFAOYSA-N 398.448 1.221 50 40 GDGB Cc1nc(CC(=O)NNC(=O)CSc2ncnc3sccc23)cs1 7984539 AJPBTPFMLGCYHD-UHFFFAOYSA-N 379.492 1.938 50 40 GDGB CCN1C(=O)/C(=N\NC(=O)CCCCC[C@@H]2CCNC(=O)N2)c2ccccc21 101657091 JADHWCIFFGGPMB-VAYDFKCMSA-N 385.468 1.895 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCn2cccc2[C@@H]1C 24968749 LVBVVIATRGTSAH-LBPRGKRZSA-N 376.844 1.988 50 40 GDGB O=C(NNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc([N+](=O)[O-])c1 69442718 HVYKPCAILNFVRH-MRXNPFEDSA-N 383.408 1.663 50 40 GDGB CN(C)c1ccc(N2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 6660014 CBOMUZXNAABMDC-TWWIOWFMSA-N 387.914 1.593 50 40 GDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2cccc(C)c2)c2ccccc21 5791861 JYAOHDMRRSEDTK-GFMRDNFCSA-N 394.431 1.377 50 40 GDGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)COc2ccccc2)c(OC)c1 4807035 NSEUVEJBSCPTHW-HYARGMPZSA-N 385.420 1.739 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1O 5815694 WVERJSODVXVGGQ-YBFXNURJSA-N 391.449 1.626 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2Cl)cc1NC(C)=O 7386334 ZKKROGXZYTTYIR-UHFFFAOYSA-N 397.840 1.930 50 40 GDGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccnc1)S(C)(=O)=O 408866935 HNPAWHVBHONRIJ-VXLYETTFSA-N 380.857 1.960 50 40 GDGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC)cc2)cc1 8086033 DQQBKFFHMQESEI-WSDLNYQXSA-N 382.420 1.463 50 40 GDGB O=C1OC(=O)[C@H]2[C@@H]1C=C(c1ccccc1)[C@@H]1[C@@H]2[C@@H]2C=C[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21 104081615 XIASFWIVHIGEDQ-AMIAHWEZSA-N 376.364 1.763 50 40 GDGB COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C/c1cccc(OC)c1O 36081797 DLDZSVVUEOZRLZ-BJKFPSCVSA-N 383.404 1.689 50 40 GDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)c(C)c1OCC(=O)O 58245377 PAOGWISGJMMTTL-UHFFFAOYSA-N 394.405 1.096 50 40 GDGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)CC2=O)cc1 12809199 NCSGBTCSBXNGOX-KSSFIOAISA-N 395.415 1.335 50 40 GDGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 408536538 RVPATSAOXISYNJ-DGURAOSJSA-N 384.779 1.955 50 40 GDGB O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 6947742 NSIPETXAAJBXTO-UHFFFAOYSA-N 382.332 1.042 50 40 GDGB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccccc1-n1cccc1 98050581 DQQUTYQGIVKCKG-GASCZTMLSA-N 392.415 1.190 50 40 GDGB C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccncc1 25782977 QIYXEZDYCNWAEM-SRZZPIQSSA-N 389.379 1.449 50 40 GDGB O=C(COc1ccc(Br)cc1)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 726151 DBQXLFXCLOGWLZ-STQMWFEESA-N 399.241 1.866 50 40 GDGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1O 409248228 CSQPJFBNDPNTTR-UFFVCSGVSA-N 385.376 1.286 50 40 GDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(O)c1 103516245 ONWSPBLCQNZONI-WFSQQTBHSA-N 387.417 1.084 50 40 GDGB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 2751663 AORVWKAWMGYMMR-RQZCQDPDSA-N 396.812 1.677 50 40 GDGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1 59515389 WERDIBGYJMPEJG-RGVLZGJSSA-N 385.376 1.579 50 40 GDGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)c(C)c1 408778797 KYOKQFGWSOEGAU-YBFXNURJSA-N 375.450 1.925 50 40 GDGB C=CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 1596833032 JKPTWBSYIZUOKM-AWEZNQCLSA-N 388.424 1.582 50 40 GDGB COc1cc(C(=O)NN(C(=S)SC)S(C)(=O)=O)cc(OC)c1OC 2086851 PWAPSMCFZVOHMK-UHFFFAOYSA-N 394.496 1.267 50 40 GDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc(F)c1 409012574 KLGGUZURBRYFCM-LPYMAVHISA-N 385.395 1.827 50 40 GDGB Cc1ccc(C(=O)NCC(=O)NNC(=O)Cc2nc3ccccc3n2C)s1 5269591 RPNBOUYUCXWIAR-UHFFFAOYSA-N 385.449 1.063 50 40 GDGB COc1cccc(/C=N/NC(=O)Cc2nnc(NC(=O)C(C)(C)C)s2)c1O 6186693 VZBNBRZQQJZWAQ-GIJQJNRQSA-N 391.453 1.930 50 40 GDGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1c(Cl)cccc1Cl 2520695 UOMYWJKNYUMAPX-YAXRCOADSA-N 381.183 1.612 50 40 GDGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)cc1OC 4851061 PQFAXVLWQNIRJR-SFHVURJKSA-N 397.431 1.775 50 40 GDGB COc1ccccc1/C=N\NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 13577258 CQSRFVJCLXSJLF-FBHDLOMBSA-N 391.391 1.827 50 40 GDGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccnc1)S(C)(=O)=O 409183126 AHWBNRGQKJYEHP-VXLYETTFSA-N 380.857 1.960 50 40 GDGB COc1cc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1O 408922526 BXKMWZSZTIIYPC-HCZVKUGISA-N 391.449 1.706 50 40 GDGB C[C@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 32999506 WIBDBOXECJMZJA-QWHCGFSZSA-N 388.399 1.951 50 40 GDGB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NNC(=O)C2CC2)c1 8687775 VPQLAEAQAVANPA-UHFFFAOYSA-N 384.527 1.753 50 40 GDGB Cc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 2072018 FXPVDSXBAQLRLD-UHFFFAOYSA-N 388.405 1.618 50 40 GDGB COc1cc2c3c(c1OC)C1(C=CC(=NNC(N)=O)C=C1)C[C@H]3N(C(C)=O)CC2 4131633 COKUUANUJGEIPE-RBFZIWAESA-N 396.447 1.941 50 40 GDGB CCc1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)cnn1-c1ccccc1 83817589 GUQCGFAGQYVARS-UHFFFAOYSA-N 392.419 1.021 50 40 GDGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc3c(c2)OCO3)s1 1958326 URFAHKPAQGGHGO-CAOOACKPSA-N 375.410 1.698 50 40 GDGB CO[C@@H]1C[C@H](NC(C)=O)[C@H](OC(=O)c2ccccc2)[C@H](CBr)O1 721540 JZLAUALBZXMLIS-AJNGGQMLSA-N 386.242 1.873 50 40 GDGB CCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)NN)ccc1N 3267931 SDHLADMHTWTQFQ-UHFFFAOYSA-N 378.454 1.486 50 40 GDGB CCCc1c(C(=O)N/N=C(\C)c2ccc(Cl)cc2)nnn1-c1nonc1N 5477732 FJVPPHHEMWHOAL-DJKKODMXSA-N 388.819 1.992 50 40 GDGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccccc2)c2ccccc21 5562443 KMKQMTPMEPBAOH-GFMRDNFCSA-N 376.416 1.398 50 40 GDGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccccc3F)C(=O)NC2=S)cc1 408752937 KCZYGNWYGNWCBO-LKEIMFIWSA-N 398.419 1.914 50 40 GDGB COC[C@H](C)O[Si](O[C@@H](C)COC)(O[C@@H](C)COC)O[C@@H](C)COC 195766857 DVYWNXMKZUKBRA-VGWMRTNUSA-N 384.542 1.628 50 40 GDGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC)cc1 8088331 WBOXDTBUIJTHTF-WSDLNYQXSA-N 382.420 1.463 50 40 GDGB CCOc1ccc(C(=O)NCC(=O)NNC(=O)COc2cccc(C)c2)cc1 17198962 YZZPALZDFGKOLV-UHFFFAOYSA-N 385.420 1.350 50 40 GDGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C/Nc1ccccc1F 101473329 KQFVPYJKNMEKJQ-DTQAZKPQSA-N 384.411 1.663 50 40 GDGB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NNC(C)=O 23198580 CENUOFHDGFWSHF-UHFFFAOYSA-N 389.433 1.228 50 40 GDGB O=C(CCCC(=O)NNC(=O)Nc1ccccc1)NNC(=O)Nc1ccccc1 8397929 PXMBLQIJSHUXBK-UHFFFAOYSA-N 398.423 1.863 50 40 GDGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1[N+](=O)[O-] 7928523 CRIZAMOBFOAQIR-CQSZACIVSA-N 382.376 1.717 50 40 GDGB NC(=O)N/N=C/c1cc(Br)cc(I)c1O 662975 LIGPDXYYYSLLKO-KGVSQERTSA-N 383.971 1.762 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1n[nH]c(=O)n1C1CC1 8213183 BPRNYGPPHAWWPL-UHFFFAOYSA-N 397.844 1.122 50 40 GDGB COc1cc(C(=O)NN[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc(OC)c1OC 4889278 WULHSUUPGONYFF-CQSZACIVSA-N 399.403 1.279 50 40 GDGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(C)(=O)=O 19954691 JDCWOVGBJPXWNX-VXLYETTFSA-N 389.433 1.640 50 40 GDGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 6326195 LDXQIIVGZXOYCE-YDZHTSKRSA-N 396.447 1.926 50 40 GDGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCOC)c2C)cc1 58911610 OSGOUGIOYDKZRY-LPYMAVHISA-N 386.452 1.706 50 40 GDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1 3232406 MITLKFARRWZEJI-GZTJUZNOSA-N 394.409 1.982 50 40 GDGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(OCC(N)=O)c2)[C@@H]2CSCC=C12 27297682 RFPHFWVNZLUATP-AEFFLSMTSA-N 391.456 1.707 50 40 GDGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNc2ccccc2C)c2ccccc21 5705541 DAYTZJPMMPFYLF-NMWGTECJSA-N 380.404 1.447 50 40 GDGB C[C@@H](NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1)c1ccccc1 408646599 QEIJKKXODYWWAB-OAHLLOKOSA-N 397.431 1.648 50 40 GDGB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(C)cc2)C1=O 408529677 CVMJASVUMCRZPT-FVUPAENESA-N 394.387 1.618 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 107763180 KYZYAKVKFMALBC-UGVMZYNRSA-N 378.388 1.918 50 40 GDGB CCn1nc(C(=O)NNC(=O)CCn2nc(C)cc2C)c2ccccc2c1=O 12735263 ZSEKOXPJKFTKIA-UHFFFAOYSA-N 382.424 1.081 50 40 GDGB C=CCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@@H](C)C2)nc2ccccn2c1=O 5023804 JNZUVUDUWHXGKI-SEYCNFAISA-N 393.447 1.517 50 40 GDGB C/C(=N\NC(=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccncc1 5143062 HVFFPIDJRAKVJA-YDZHTSKRSA-N 392.419 1.358 50 40 GDGB O=C(NN/C=C1\C(=O)N(c2ccc(F)cc2)C(=S)N=C1O)c1ccncc1 38160465 GNYUNRPIQLUWGD-LCYFTJDESA-N 385.380 1.627 50 40 GDGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C1/C(=O)Nc2ccccc21 3274634 ZJRAQLVJHGXYLY-UHFFFAOYSA-N 377.448 1.671 50 40 GDGB Cc1cc(-c2ccc(/C=N/NC(=O)Cn3nnnc3N)o2)c([N+](=O)[O-])cc1C 3207991 OYTNHSXZOSSYJN-CNHKJKLMSA-N 384.356 1.191 50 40 GDGB CCOC(=O)/C(=N/Nc1cc(C(=O)OC)cc(C(=O)OC)c1)C(=O)CCl 100843915 ZEZUEUIEIQBZGI-CPNJWEJPSA-N 384.772 1.399 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1 6953913 BGTLMNSDQBMNRZ-WSDLNYQXSA-N 382.420 1.599 50 40 GDGB COc1ccccc1NCC(=O)N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 57476900 AYUJWYKTFWBOGZ-LSCVHKIXSA-N 389.324 1.779 50 40 GDGB Cn1c(=O)c2c(nc(SC[C@H](O)CCl)n2Cc2ccccc2)n(C)c1=O 13774114 RLRHTCKQFLKWCO-GFCCVEGCSA-N 394.884 1.174 50 40 GDGB O=C(CCCl)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 12310315 DXSZKCVYZYHNML-UHFFFAOYSA-N 389.822 1.627 50 40 GDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1Cl 2631436 PHHUZRIGTORMPY-CQSZACIVSA-N 377.740 1.849 50 40 GDGB CCc1cc2c(=O)n(CC(=O)NN=Cc3ccc(O)c(OC)c3)cnc2s1 11990294 AZZIYTSVSSBMDR-UHFFFAOYSA-N 386.433 1.885 50 40 GDGB COc1ccc(CC(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1 30579385 ILJUMLYFFPKNRG-HNNXBMFYSA-N 385.420 1.531 50 40 GDGB CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 6538249 GXJKWMRSTQSGNU-UDWIEESQSA-N 393.440 1.995 50 40 GDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 101309597 IRSRUVJHWLQMDQ-HKLAFJFVSA-N 380.825 1.805 50 40 GDGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1[nH]ncc1I 1017715 FZRIJVQLBGZSHF-WLRTZDKTSA-N 385.121 1.686 50 40 GDGB N#Cc1ccc(NC(=O)COCC(=O)NNC(=O)CCc2ccccc2)cc1 4700017 IHHLKNJDXGNCGI-UHFFFAOYSA-N 380.404 1.294 50 40 GDGB O=C(COCCOc1ccccc1)NNC(=O)COCCOc1ccccc1 40158868 RXYOFJWNTMEQNC-UHFFFAOYSA-N 388.420 1.325 50 40 GDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1OCC 5332836 MTDQRWCSIRRZEC-OEAKJJBVSA-N 382.420 1.812 50 40 GDGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1 409247074 BAQGWWBHYFILMQ-WSDLNYQXSA-N 394.431 1.741 50 40 GDGB COC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408680074 CYYJSQOLGSVWSV-HUXGKSLCSA-N 394.221 1.983 50 40 GDGB O=C(Cc1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408862145 FRUNWCKZDXXCFS-PXLXIMEGSA-N 381.432 1.617 50 40 GDGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 1101719 OXQNEOWBQUHAIG-UDWIEESQSA-N 377.441 1.583 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)ccc1Cl 5960277 ZJHXZAWJJOOHEP-CJTUPEFNSA-N 380.828 1.922 50 40 GDGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC[C@@H]3CCCO3)c2C)cc1 58912179 LXAHJQHPGXAFGJ-DOUQRPAJSA-N 398.463 1.848 50 40 GDGB Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 12527013 XXVIFFIHRNWLAH-HNNXBMFYSA-N 375.450 1.290 50 40 GDGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccnc1 2264179 PPFCKHUQCSFYGN-YDZHTSKRSA-N 391.431 1.659 50 40 GDGB O=C(NNC(=O)c1cccc(Br)c1)c1ccc(-n2cnnn2)cc1 8718794 IYNNEXRYOWPLLC-UHFFFAOYSA-N 387.197 1.500 50 40 GDGB O=C(COc1ccc2c(c1)CCC2)NNC(=O)Cn1nnc(-c2ccccc2)n1 6834441 DRLVLYXHGSEWCE-UHFFFAOYSA-N 392.419 1.055 50 40 GDGB CCCc1c(C(=O)N/N=C(\C)COc2ccccc2)nnn1-c1nonc1N 13805298 MRCGWUBYDXVIFO-YBFXNURJSA-N 384.400 1.370 50 40 GDGB CN1CCN(CN2C(=O)/C(=N\NC(=O)c3ccc(F)cc3)c3ccccc32)CC1 20171362 NFXARUSCLCQNMA-NMWGTECJSA-N 395.438 1.511 50 40 GDGB O=C(CN1CCCCC1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915849 BTQNVXWWDBNWKE-CPNJWEJPSA-N 375.429 1.367 50 40 GDGB CCOC(=O)NNS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 57412587 BXIWUIODGRXYEW-UHFFFAOYSA-N 381.204 1.175 50 40 GDGB Cc1cc(N2CCOCC2)nc(SCC(=O)N/N=C/c2ccccc2O)n1 2217878 FIQZPRKXGRJRFC-YBFXNURJSA-N 387.465 1.570 50 40 GDGB CCCCCCC(=O)NN/C=C1\C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O 9319789 AWJGYFCKYVAFAN-RVDMUPIBSA-N 390.415 1.879 50 40 GDGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 59246520 DGKVVNVFYYWKEK-BKUYFWCQSA-N 398.419 1.956 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 108936875 FYPBGHVELBDDAI-BOPFTXTBSA-N 382.442 1.639 50 40 GDGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1 3369078 SJJOUJGAPJEQBT-UHFFFAOYSA-N 381.841 1.665 50 40 GDGB COc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OC 17249578 LUFZPRVFZKKHHV-UHFFFAOYSA-N 388.380 1.753 50 40 GDGB CC(C)N1C(=O)[C@]2(C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21 6759431 MBPDRPNODUCULJ-FQEVSTJZSA-N 379.372 1.259 50 40 GDGB COc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccncc3)C(O)=NC2=S)cc1 4837112 GAWPFWUTJJLBFC-GXDHUFHOSA-N 397.416 1.497 50 40 GDGB N#Cc1ccc(C(=O)NNC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1 19365239 GDGYPMISNCAZER-UHFFFAOYSA-N 391.475 1.527 50 40 GDGB O=C(CSc1ccc(F)c(Cl)c1)NNC(=O)C[C@H]1CCS(=O)(=O)C1 7989241 AQFYIDQHMJFUBS-SECBINFHSA-N 394.877 1.543 50 40 GDGB CN(CCNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccccc1 9379371 UFJBXJGDGYBMJS-UHFFFAOYSA-N 394.435 1.658 50 40 GDGB CN(C)c1ccc(/C=N/NC(=O)c2nn(C)cc2I)cc1 825428 IVRLFYNLZAARDM-LZYBPNLTSA-N 397.220 1.855 50 40 GDGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)cc1 58881614 LVGHRQXEELOQTH-CIAFOILYSA-N 399.403 1.726 50 40 GDGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccncc2)S(C)(=O)=O)cc1 408907755 QSPXXPOPFHDTAJ-ZXOFLVKFSA-N 390.465 1.785 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 6868083 IMXBDJBEKKLDKG-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB COC(=O)c1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 107911200 CWLZWEBJHRDZGO-UNOMPAQXSA-N 395.481 1.518 50 40 GDGB COc1ccc(CC(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 12739971 HILNYFGIDIBOTG-HNNXBMFYSA-N 385.420 1.531 50 40 GDGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccnc1)OCc1ccccc1 408990901 OVVXNEBZRMYUSQ-DAFNMPDCSA-N 392.419 1.793 50 40 GDGB O=C(CSCC(=O)N/N=C\c1ccccc1O)N/N=C\c1ccccc1O 73111174 BJXHONRYWGYJOW-QJUDHZBZSA-N 386.433 1.431 50 40 GDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 95346046 RFJCYDCMERWMFV-DAEYGZTOSA-N 376.416 1.703 50 40 GDGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Br)c1 408809327 RKRWTIUCQZNTPL-IZZDOVSWSA-N 383.198 1.582 50 40 GDGB COc1cccc(N(CC(=O)N/N=C/c2sccc2C)S(C)(=O)=O)c1 20210148 IIDYLCQTVIFQMF-LICLKQGHSA-N 381.479 1.981 50 40 GDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc3c(c2)OCO3)cc1 39986613 CIUMBURZGNPATI-GRSHGNNSSA-N 389.433 1.495 50 40 GDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(N(C)C)c3)CC2=O)cc1 12538483 RHUSEOUMGYRJDL-OAHLLOKOSA-N 396.447 1.575 50 40 GDGB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 245380477 ZYQSWUFUVGIGTA-SRTKAIALSA-N 395.364 1.897 50 40 GDGB biogenic CCOc1ccc(/C=N/NC(=O)[C@H](c2ccncc2)N2CCOCC2)cc1O 20029496 GJGPSOTUXVRRIL-KWJZBXMYSA-N 384.436 1.710 50 40 GDGB CC(C)Oc1ccc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102372383 SXZUSKRONKSYFF-IYBDPMFKSA-N 385.420 1.186 50 40 GDGB Cc1ccccc1OCC(=O)NNC(=O)NCCc1ccc2c(c1)OCCO2 12593663 HIWQBSRVQYQALY-UHFFFAOYSA-N 385.420 1.718 50 40 GDGB CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3ccccc3F)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 13496183 LKYBEVBENAHVPX-KMUFLGAISA-N 394.399 1.672 50 40 GDGB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccccc3O)C2=O)cc1 408529181 CJFUFQSTHQQUNZ-DGURAOSJSA-N 396.359 1.016 50 40 GDGB CCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 223161102 HNWMRDZXPFFMBX-MTJSOVHGSA-N 399.403 1.969 50 40 GDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1 223161688 HWVXLGFPUGPZDA-JMIUGGIZSA-N 399.359 1.025 50 40 GDGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(C)(=O)=O)cc1 6157581 GZGOLPXSMIXJSQ-CPNJWEJPSA-N 391.449 1.707 50 40 GDGB COc1ccccc1/C=N/NC(=O)COCC(=O)N/N=C/c1ccccc1OC 2165340 WTGXBSLLROUCTE-XHQRYOPUSA-N 398.419 1.321 50 40 GDGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)CNC(=O)c1ccccc1 55120995 FBGFOPHUOZQBCP-UUYOSTAYSA-N 377.404 1.766 50 40 GDGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccn1)S(C)(=O)=O 20212231 CEYFVGUIMYKNPM-YBFXNURJSA-N 376.438 1.315 50 40 GDGB C[C@@H]1CCC[C@H](OCC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1 95464990 UGZWUSAYBUGEFO-OLZOCXBDSA-N 397.335 1.408 50 40 GDGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)COc3ccccc3C#N)CC2=O)cc1 28787464 WSIPKUXWWQQFOS-INIZCTEOSA-N 392.415 1.446 50 40 GDGB CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 100686787 OMXPNVIVVFTKOW-SECBINFHSA-N 392.213 1.124 50 40 GDGB COc1cc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)ccc1O 109410575 XOXHJVMGKAVTSX-WQRHYEAKSA-N 383.470 1.445 50 40 GDGB N#CCOc1ccc(Br)cc1/C=N/NC(=O)CN1CCOCC1 15019899 JHJOLUYYSZYDRA-VCHYOVAHSA-N 381.230 1.134 50 40 GDGB CN1C(=O)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 15133835 SYVBWRCJNVSUEC-KNTRCKAVSA-N 383.320 1.542 50 40 GDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1 28617764 IDLNBUQCSRBQIX-MOSHPQCFSA-N 388.493 1.832 50 40 GDGB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)C(C#N)=C1Nc3ccccc3N1)CS2 6511749 LNXBQQFJONFMLZ-AUUYWEPGSA-N 398.444 1.825 50 40 GDGB O=C(O)CCN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 2317474 FHBPPJNBSKRQRH-BFIYDEBJSA-N 395.047 1.239 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)[C@@H]1COc2ccccc2O1 2647709 CEZUHFAYTHEOGT-AWEZNQCLSA-N 386.788 1.629 50 40 GDGB Cc1ccccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1 7939968 KVBIEBRFIWORFL-UHFFFAOYSA-N 383.404 1.718 50 40 GDGB O=C(CCC(=O)OCC(=O)NNC(=O)c1ccccc1)NCc1ccccc1 8433597 QXISYSPRVZFYEX-UHFFFAOYSA-N 383.404 1.087 50 40 GDGB O=C(CSCc1ccccc1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 12346246 QITITUBIKGBKFR-UHFFFAOYSA-N 381.435 1.838 50 40 GDGB CC(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)cc1 3640412 ASEUUSUQMWEDEG-AWQFTUOYSA-N 397.443 1.181 50 40 GDGB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2 13008160 OWTFZPKMFBRLPM-GFCCVEGCSA-N 385.376 1.491 50 40 GDGB COc1cc([C@H]2CC(=O)NC(SCC(N)=O)=C2C#N)cc(OC)c1OC 9087650 IIANNCXUYHXTMS-SNVBAGLBSA-N 377.422 1.270 50 40 GDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccccc1F 408721714 XKBKUPZXWPABFA-ZVBGSRNCSA-N 379.355 1.958 50 40 GDGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2nc3nc(C)cc(C)n3n2)c1O 85886248 GUWRDXKOVXWZOP-IDUWFGFVSA-N 385.340 1.127 50 40 GDGB COc1ccc(CCNC(=S)NNC(=O)Cn2cnc3ccccc32)cc1 16271846 JJRIPKCMRADYEZ-UHFFFAOYSA-N 383.477 1.783 50 40 GDGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cn(-c2ccc(F)cc2)nn1 2087141195 JPVWZHOKQFGMPR-AWEZNQCLSA-N 379.779 1.816 50 40 GDGB CC1=NNC(=O)[C@H]1CCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 100686790 OMXPNVIVVFTKOW-VIFPVBQESA-N 392.213 1.124 50 40 GDGB COc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 100126547 IIBARJXCTPPFJD-CQSZACIVSA-N 387.367 1.409 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(F)F 12942848 MAQOZEDLOHPAHE-HNNXBMFYSA-N 394.330 1.898 50 40 GDGB O=C(CNC(=O)c1cccc(Br)c1)NNC(=O)c1ccccc1 13137701 XXABLWTXWJJVOC-UHFFFAOYSA-N 376.210 1.640 50 40 GDGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCC(N)=O 408968648 YFAFSWURAMDIOX-AUEPDCJTSA-N 384.367 1.724 50 40 GDGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)NNC(=O)c1ccccc1 408732364 VFCHVSHQDGECHK-UHFFFAOYSA-N 381.417 1.794 50 40 GDGB CNC(=S)NNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 33026918 GTLXQOAQBFZPSX-VAWYXSNFSA-N 390.490 1.838 50 40 GDGB O=C(O)[C@H]1Sc2[nH]c(=O)sc2[C@H]2c3cc([N+](=O)[O-])ccc3OC(=O)[C@@H]12 9973340 XIPVJQCDBDFGPS-XKSSXDPKSA-N 380.359 1.571 50 40 GDGB CSCCOC(=O)COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 20249083 LYYFAJNVQLTQQK-DEDYPNTBSA-N 393.509 1.908 50 40 GDGB CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 12767992 BDWOIJCRDWIBFH-UHFFFAOYSA-N 379.463 1.220 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 7385000 FUGOOYVMGNDINQ-NSHDSACASA-N 395.412 1.561 50 40 GDGB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)OC(C)(C)C 17398692 BZYZQHZWIDMFSI-ZDUSSCGKSA-N 396.469 1.306 50 40 GDGB Cc1ccc2c(c1)/C(=N/NC(=O)[C@@H](C)n1cnc3ccccc3c1=O)C(=O)N2 100279625 HBSSFOCGMDSULW-GFCCVEGCSA-N 375.388 1.739 50 40 GDGB C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1cc(Br)n(C)n1 1437078 AKCNUZMKFYEYSZ-VGOFMYFVSA-N 384.194 1.402 50 40 GDGB COc1ccc(C)cc1N1C[C@H](C(=O)NNC(=O)c2ccccc2O)CC1=O 13022980 FTEPJUAKRSEPSL-CYBMUJFWSA-N 383.404 1.523 50 40 GDGB Cc1n[nH]c2c1[C@@H](c1cn(CC(N)=O)nc1-c1ccccc1)C(C#N)=C(N)O2 4550815 ZWPYQSPBOIWBQZ-MRXNPFEDSA-N 375.392 1.285 50 40 GDGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(OC)c3)CC2=O)cc1 408616597 ZOKUSNNNEVPIGW-OAHLLOKOSA-N 397.431 1.908 50 40 GDGB COC(=O)/C(C#N)=C/c1c(N2C[C@@H](C)O[C@H](C)C2)nc2c(C)cccn2c1=O 2398887 WPRUUYDQXUUIGS-RNRBBCFGSA-N 382.420 1.697 50 40 GDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(N2CCCC2=O)cc1 15795454 XRYVIDHJUPPQSJ-QGZVFWFLSA-N 381.388 1.414 50 40 GDGB COc1ccccc1C(=O)NCC(=O)N/N=C1/C(=O)N(C(C)C)c2ccccc21 100721004 ROQAMKRFCMOVHE-LYBHJNIJSA-N 394.431 1.701 50 40 GDGB COc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 7939950 ZPZCXYBEAFFAGK-UHFFFAOYSA-N 376.796 1.896 50 40 GDGB Cc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C(C)C)cc1 12531311 SSLKSSXTKANRRO-QGZVFWFLSA-N 397.479 1.813 50 40 GDGB CCN(CC)c1ccc(C(=O)NNC(=O)CNC(=O)Cc2ccccc2)cc1 8026636 YXXPINCQOPMMIP-UHFFFAOYSA-N 382.464 1.653 50 40 GDGB NC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 408966108 MVGITRMOBMLAIF-AWQFTUOYSA-N 382.332 1.969 50 40 GDGB Cc1ccccc1/C=N/NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N 2242791 IDVVYQIYFVOERM-SRZZPIQSSA-N 388.391 1.972 50 40 GDGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)n1 3312521 BMWHWTIQVPAVDZ-UBKPWBPPSA-N 389.393 1.973 50 40 GDGB Cc1ccc(N2CCCC2)c(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 89611933 CDHDMJDXJOJUFU-UHFFFAOYSA-N 381.436 1.181 50 40 GDGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)c3cccs3)C(=O)NC2=S)cc1 408765501 XWWOLKCAXLRBFX-KBSHCFNASA-N 386.458 1.836 50 40 GDGB COc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408537505 VTPRRHRSCSCADA-IMRMQAIZSA-N 398.350 1.449 50 40 GDGB CCCCOc1ccc(-c2nnn(CC(=O)NNC(=O)c3ccccc3)n2)cc1 4130097 ZLOWSNFEOVODIB-UHFFFAOYSA-N 394.435 1.980 50 40 GDGB O=C(NNS(=O)(=O)c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1500877 OSCAUVQGTDAMQI-UHFFFAOYSA-N 382.441 1.932 50 40 GDGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 409113819 IZCCFNQDBPYIDI-XDHOZWIPSA-N 391.449 1.864 50 40 GDGB COCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 34982656 VNWQLJZTUHBNSM-KAMYIIQDSA-N 389.433 1.654 50 40 GDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3c[nH]c4ccccc34)CC2=O)cc1 30600095 OHMWHXYEUPOXTN-CYBMUJFWSA-N 392.415 1.991 50 40 GDGB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)C1CCCCC1 33029074 RGLFMASMOXZCBE-MRXNPFEDSA-N 399.488 1.856 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccn2)c1-c1ccccc1 994207 DEMDNOKALGRGRS-KEBDBYFISA-N 375.352 1.058 50 40 GDGB Cc1cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c(C)o1 6508540 BTLWTIHABPYDJW-JTQLQIEISA-N 383.401 1.164 50 40 GDGB Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)NN=C1CCCCC1 25760764 UGQGTKVPUJZWMJ-UHFFFAOYSA-N 387.448 1.268 50 40 GDGB COc1cc(/C=N\NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)ccc1O 32573521 GBKUBFNHTOXBMD-UNOMPAQXSA-N 391.449 1.528 50 40 GDGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccncc3)C(=O)NC2=S)cc1 408764688 SIODFHIRIJVRFQ-IPZKOZABSA-N 381.417 1.170 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 19954406 AAPXUMJHOQLSIT-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1cccs1 1345907 JZZXFTNYUWZMQA-CYBMUJFWSA-N 393.490 1.610 50 40 GDGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)ccc1O 6580694 MRVWLLFMMCOVOR-YBFXNURJSA-N 391.449 1.313 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)CNC(=O)Cc2ccccc2)cc1OC 8314560 UCVUNFGGFWYNJM-UHFFFAOYSA-N 385.420 1.214 50 40 GDGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)[C@H]3COc4ccccc4O3)CC2=O)cc1 12809208 NCSGBTCSBXNGOX-KBXCAEBGSA-N 395.415 1.335 50 40 GDGB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4303732 ZYQSWUFUVGIGTA-PAURTPPISA-N 395.364 1.897 50 40 GDGB O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 4401890 SRFJXNNMMBPOII-SRZZPIQSSA-N 381.344 1.972 50 40 GDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 58882047 LDIRSWJOZFQEGZ-SRZZPIQSSA-N 384.392 1.038 50 40 GDGB Cc1ccc(SCC(=O)NNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 12757885 RGJIBOROQRBCIP-UHFFFAOYSA-N 383.429 1.774 50 40 GDGB CC(C)N1C(=O)/C(=N/NC(=O)CNC(=O)/C=C/c2ccco2)c2ccccc21 5690188 YLSNEMUUEOVNLS-LDLNHXLASA-N 380.404 1.685 50 40 GDGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 59437006 KHHXWSVFKBDYMK-HYARGMPZSA-N 381.432 1.997 50 40 GDGB O=C(CCC(=O)OCC(=O)Nc1ccc(F)cc1)NNC(=O)c1ccccc1 408645388 LIYQBKNRROUZAR-UHFFFAOYSA-N 387.367 1.549 50 40 GDGB CCN(CC)C(=O)CSCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 7785547 BYWJJNNLSDSFAC-UHFFFAOYSA-N 381.542 1.952 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(C)(=O)=O)cc1 20210353 WXGIZOMOPUIBSP-LICLKQGHSA-N 381.479 1.981 50 40 GDGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 67913419 LOFBWESEBFUNJU-DNFDJYSSSA-N 392.448 1.895 50 40 GDGB biogenic,in-vitro COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2)cc1C 35404634 FYPABFONYWVFQN-UNOMPAQXSA-N 375.450 1.774 50 40 GDGB COc1ccc(OCCCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 4242974 VEMGTNWCRMZLQL-UHFFFAOYSA-N 386.404 1.859 50 40 GDGB CCCc1c(C(=O)N/N=C(\C)c2ccccc2Cl)nnn1-c1nonc1N 5478146 GGKZCMIRGMKROW-DJKKODMXSA-N 388.819 1.992 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)c1ccc(F)cc1 408776412 OGTZZNRCMADEHT-VXLYETTFSA-N 393.396 1.440 50 40 GDGB CCN(CC)c1ccc(C(=O)NNC(=O)Cn2c(=O)cnc3ccccc32)cc1 12521682 PTYXFFUQPXNPQH-UHFFFAOYSA-N 393.447 1.704 50 40 GDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H]2C=CCC2)c1 12862117 MUIAZOTYYNBDFD-AWEZNQCLSA-N 379.482 1.834 50 40 GDGB O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 6509732 MZIGRHYAOXNLLA-UHFFFAOYSA-N 378.314 1.753 50 40 GDGB CC1(CC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)OCCO1 5727791 RGURAMHDUXIRIN-VIZOYTHASA-N 388.174 1.666 50 40 GDGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(C)(=O)=O)c1 408777400 YHEXIHHPEJYCKS-CPNJWEJPSA-N 391.449 1.707 50 40 GDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 3085843 FUYFWWQQCIBVCG-WOJGMQOQSA-N 390.421 1.674 50 40 GDGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1[N+](=O)[O-] 857223 IAECATRMWBBERI-CYBMUJFWSA-N 388.767 1.815 50 40 GDGB CN(C)c1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 108983877 FCNHSQOBTUJVRX-UYRXBGFRSA-N 380.514 1.797 50 40 GDGB CCN1C(=O)/C(=N\NC(=O)Cc2csc(N3CCOCC3)n2)c2ccccc21 103461833 WHTWDRYPDYEXBX-XLNRJJMWSA-N 399.476 1.409 50 40 GDGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 21001388 ZKLANRDQKYIWGD-CQSZACIVSA-N 382.376 1.717 50 40 GDGB O=C(NNC(=O)c1ccco1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 6603071 CAQYVMHNHVZGLX-UHFFFAOYSA-N 389.389 1.426 50 40 GDGB COCC(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(Br)cc21 223762887 CZQRGZVWKHTBQK-LGMDPLHJSA-N 384.255 1.378 50 40 GDGB CCCOc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1OCC 7869473 CYFZWDVVAVZYDF-NGZBARDMSA-N 377.441 1.619 50 40 GDGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(=O)O 34865480 ANOOMJIPNISYNI-GRSHGNNSSA-N 387.348 1.760 50 40 GDGB Cc1ccc(OCC(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1C 32971062 UVKZRKSMVWNAFH-KDOFPFPSSA-N 377.466 1.284 50 40 GDGB Cc1ccccc1C(=O)NNC(=O)CSc1nnnn1[C@H]1C[C@H]2CC[C@H]1C2 103012731 VOCXIHABSFEGLC-YDHLFZDLSA-N 386.481 1.896 50 40 GDGB CN1CCN(c2nc(C#N)c(C#N)nc2C(C#N)=C2Nc3ccccc3N2)CC1 791358 SCMKFZGXSFMPLB-UHFFFAOYSA-N 383.419 1.702 50 40 GDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 8239500 DYHZSBIMYNGOQN-NSHDSACASA-N 385.351 1.037 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1-n1cccc1 5688148 YEBLAAAYGBLJNW-UHFFFAOYSA-N 399.428 1.872 50 40 GDGB O=C(COc1ccccc1F)NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 8733910 MSKBVNWDCBKRHW-LBPRGKRZSA-N 375.331 1.617 50 40 GDGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CN3CCOCC3)cc2)cc1 19799141 OGXPKESARSVHPD-HYARGMPZSA-N 397.431 1.697 50 40 GDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)c1 20211113 RQJBZLWUMYDGMB-YBFXNURJSA-N 392.437 1.015 50 40 GDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1F 409015369 RSYDXVNKARTRLD-LPYMAVHISA-N 385.395 1.827 50 40 GDGB CNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408830943 ULLOGQLJTHASCV-XFFZJAGNSA-N 386.795 1.841 50 40 GDGB Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O 19954696 VXLRHYNHXNYNSJ-WOJGMQOQSA-N 390.421 1.820 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 6326064 ZHQHDMGEGOCWGB-FSJBWODESA-N 396.447 1.907 50 40 GDGB O=C(NNC(=O)c1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 923764 VCLRZOBWNHNQRK-UHFFFAOYSA-N 377.422 1.529 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccs2)cc1 4904594 WWCVONTUNGJFKP-LICLKQGHSA-N 394.478 1.477 50 40 GDGB COc1ccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 869531 CWTRICNLZABRSG-UHFFFAOYSA-N 381.366 1.235 50 40 GDGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 20331891 FGHSZBFRERUVFG-LFYBBSHMSA-N 397.416 1.439 50 40 GDGB Cc1cccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 3337402 MZFDWQXJBFPWAQ-UHFFFAOYSA-N 391.449 1.085 50 40 GDGB COC(=O)c1ccccc1NC(=O)CNNC(=O)CN1CCCc2ccccc21 6320022 DDFURJCBXVMWES-UHFFFAOYSA-N 396.447 1.485 50 40 GDGB Cn1nc(C(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)ccc1=O 9365547 RFAPTKPTMDNWND-UHFFFAOYSA-N 387.248 1.640 50 40 GDGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c1O 32528776 FZVNXKVSEDZKLA-LPZCBPBVSA-N 398.375 1.289 50 40 GDGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 3127830 MEYLYHIDFDISBG-LLVKDONJSA-N 379.203 1.609 50 40 GDGB COCCNC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2ccccn2c1=O 4995996 DNDWBLSNUGAESW-JQIJEIRASA-N 395.463 1.744 50 40 GDGB C/C(NNC(=O)c1ccccc1O)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 9334859 FSYGKVDKCQFIQG-FOWTUZBSSA-N 394.387 1.179 50 40 GDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccccc2)c2ccccc21 5855602 JOEVYBKAXCMNII-GFMRDNFCSA-N 394.431 1.459 50 40 GDGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)CNc2ccc(C)cc2)c2ccccc21 100903165 UYMCCFDVMZDOTD-HIXSDJFHSA-N 394.431 1.837 50 40 GDGB COc1ccc(NCC(=O)N/N=C/c2ccc(OCC(N)=O)c(OC)c2)cc1 33044166 BUFAGCSRTFXVDW-LSHDLFTRSA-N 386.408 1.130 50 40 GDGB CC(C)(C)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 30887689 DGXNQSFYWWCFFB-UHFFFAOYSA-N 389.477 1.972 50 40 GDGB CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)C1 30576467 WVXPWIKHGVNISY-STQMWFEESA-N 381.404 1.609 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 58881114 LJZQKTLLZQTTTK-KEBDBYFISA-N 389.795 1.981 50 40 GDGB COc1cc(OC)cc(C(=O)NC(=S)NNC(=O)Cc2cccs2)c1 2194954 WJVJYCHUCFURMW-UHFFFAOYSA-N 379.463 1.644 50 40 GDGB CC(=O)N[C@@H](CSc1cc(C)nc2ccc(Br)cc12)C(=O)NN 5516516 RZMFZQSMJOPVTQ-ZDUSSCGKSA-N 397.298 1.892 50 40 GDGB CN(c1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1)S(C)(=O)=O 409110754 GMIXNRWDIPNWCI-VCHYOVAHSA-N 375.406 1.575 50 40 GDGB COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1 35132571 XHJVAXPHWOUATG-ZHZULCJRSA-N 389.477 1.650 50 40 GDGB CCOC(=O)C1CCN(C(=O)CCC(=O)NNC(=O)c2cccc(F)c2)CC1 199415493 FYXXLPRWAIGCHM-UHFFFAOYSA-N 393.415 1.169 50 40 GDGB Cc1ccc(N2C(=O)N(CC(=O)NNC(=S)NC(C)C)C(=O)[C@H]2C)cc1 14841401 NEMSXBOHWRPSEV-GFCCVEGCSA-N 377.470 1.056 50 40 GDGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 5515135 AQSUCLVLPWIDPY-RGVLZGJSSA-N 387.392 1.810 50 40 GDGB CCN(CC)c1ccc(C(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 32969036 KODULSLQNOSACR-KXBFYZLASA-N 390.509 1.748 50 40 GDGB CCOc1cc(/C=C(/C#N)C(N)=S)ccc1OCC(=O)N1CCOCC1 107609933 VBXBLUMXXFNMAE-ZROIWOOFSA-N 375.450 1.516 50 40 GDGB Cc1cccc(C)c1OCC(=O)NNC(=O)CCNC(=O)c1ccsc1 22635757 RQSAPHVPUJAMCO-UHFFFAOYSA-N 375.450 1.711 50 40 GDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(OC[C@H]2CCCO2)cc1 12941829 VSODGKGUVWJZGJ-APWZRJJASA-N 398.415 1.845 50 40 GDGB Cc1cc(C)c(SCC(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)c(C)c1 8391035 KWPLXJBTVDXJKE-AWEZNQCLSA-N 384.523 1.676 50 40 GDGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)Cc3ccccc3)C(=O)NC2=S)cc1 408751896 ABOKNBMQOJUDEX-YQODDJSKSA-N 394.456 1.704 50 40 GDGB COc1c(O)ccc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)c1[N+](=O)[O-] 3202303 VOWSWXUABDNNIB-DNTJNYDQSA-N 390.327 1.328 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccncc3)CC2)cc1 1058384 BJJBACNDZKXSME-KGENOOAVSA-N 386.477 1.941 50 40 GDGB COc1cc(S(=O)(=O)NNC(=O)c2ccccc2Cl)ccc1NC(C)=O 7386308 OMOMUMFGXGLTKG-UHFFFAOYSA-N 397.840 1.930 50 40 GDGB C[C@@H](Oc1ccccc1)C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 32910039 KFDKKSAOOAAAKW-GFCCVEGCSA-N 387.348 1.367 50 40 GDGB O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 3193547 BQIVCJMPJLUHPY-REZTVBANSA-N 388.292 1.761 50 40 GDGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 5632873 VNYLTAIKMNSDLD-YDZHTSKRSA-N 396.447 1.926 50 40 GDGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c21 2256778 AJTJPABJKUZBSW-SFHVURJKSA-N 380.448 1.945 50 40 GDGB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccccc2)C1=O 408535312 NOXZSRLKPBRPFL-HSWQHBDASA-N 380.360 1.310 50 40 GDGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(F)c2)c2ccccc21 4822851 MEEHFXUQBFTVGE-MOHJPFBDSA-N 382.395 1.831 50 40 GDGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccnc1)S(C)(=O)=O 20212206 UXWYZCBZOOSMGX-YBFXNURJSA-N 376.438 1.315 50 40 GDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)c1 409185289 VXLKHYSQIAWPNL-YBFXNURJSA-N 392.437 1.015 50 40 GDGB N#C/C(=C\c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)C(N)=O 6209240 YNPFEHGZVIQJSS-JLHYYAGUSA-N 395.400 1.930 50 40 GDGB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1ccccc1 7940082 RMTBUKPMLMTAGS-QGZVFWFLSA-N 395.415 1.040 50 40 GDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 101309594 IRSRUVJHWLQMDQ-CVQDRVJJSA-N 380.825 1.805 50 40 GDGB COc1ccc(C(=O)NNC(=O)C(F)(F)F)cc1I 1889429 GNARTZVYBNQIRC-UHFFFAOYSA-N 388.083 1.623 50 40 GDGB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3C)C2=O)cc1 3375273 HWRSCIZQDXXXBJ-QGZVFWFLSA-N 395.415 1.738 50 40 GDGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)c1 5065815 WLGBXCWTVZUBFI-SFHVURJKSA-N 380.448 1.945 50 40 GDGB C/C(=N\NC(=O)c1ccco1)c1cc2c(cc1NC(=O)/C=C/C(=O)O)OCO2 5517007 MDNCJWSMZZZXFC-VKGNWJIDSA-N 385.332 1.742 50 40 GDGB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccccc1-n1cccc1 98050582 DQQUTYQGIVKCKG-HUUCEWRRSA-N 392.415 1.190 50 40 GDGB C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 958318586 KZJNKSIORXDWKH-XOYXNHQRSA-N 378.421 1.241 50 40 GDGB biogenic,in-vitro COc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 4524851 IJLBKWQRWNZBQL-OEAKJJBVSA-N 399.447 1.912 50 40 GDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(F)cc1 9049790 RBUXFXXUUYAQSN-CIKBWMHTSA-N 389.408 1.517 50 40 GDGB CCOc1ccc(OCCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 12907725 TYNNHYYJZBEJAD-UHFFFAOYSA-N 386.404 1.859 50 40 GDGB Cc1ccc2c(=O)c(C(=O)NNC(=O)c3cc(Br)c[nH]3)c[nH]c2n1 40144401 NKNLOVAHBXDOFZ-UHFFFAOYSA-N 390.197 1.397 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 6497053 LFCCANDNGLAPMQ-WSDLNYQXSA-N 382.420 1.599 50 40 GDGB CN(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 6544518 YXCWHMXORPZVOM-VCHYOVAHSA-N 394.384 1.505 50 40 GDGB COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(O)cc2)cc1[N+](=O)[O-] 3297183 XORUZQUJLPQKBZ-UHFFFAOYSA-N 390.377 1.258 50 40 GDGB C#CCN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c2ccccc21 6199238 KAPZPPPXXROJPP-ZBJSNUHESA-N 392.371 1.782 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1OC 7379831 UFLPFIDHRPYNMP-UHFFFAOYSA-N 382.463 1.877 50 40 GDGB O=C(NNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 15716532 DBUDKSRKHFIQQR-UHFFFAOYSA-N 386.755 1.904 50 40 GDGB COc1cc(C(=O)NN)cc(I)c1OCc1cccnc1 226321269 NWMACFVSGKTIPV-UHFFFAOYSA-N 399.188 1.877 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc(OC)c1OC 1005759 DPMRZNFQMHZCNZ-NWDGAFQWSA-N 378.381 1.140 50 40 GDGB biogenic,in-vitro COc1cc(C(=O)NN[C@H]2CC(=O)N(c3ccccc3)C2=O)cc(OC)c1OC 100097138 WULHSUUPGONYFF-AWEZNQCLSA-N 399.403 1.279 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 6841401 QRYNYCJPWGWTCH-YDZHTSKRSA-N 394.431 1.765 50 40 GDGB CN(CC(=O)NNC(=O)C[C@@H]1C=CCC1)S(=O)(=O)c1ccc(Cl)cc1 12851171 OZYZJQOTTVSMIG-GFCCVEGCSA-N 385.873 1.464 50 40 GDGB COc1cccc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccccc2)c1OC 3466770 OPUVDSTTYLRSLY-VAWYXSNFSA-N 384.388 1.721 50 40 GDGB Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1C 6985104 QCWWKERIDJHDCW-UHFFFAOYSA-N 381.841 1.679 50 40 GDGB O=C(COc1ccccc1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 23109267 PXGFJTNKGJIMJA-UHFFFAOYSA-N 395.390 1.876 50 40 GDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1C 102676054 ZKBHRXMZNGUYPH-KNGSKEOJSA-N 385.445 1.687 50 40 GDGB N#CC1=C(N)n2c(s/c(=C\c3cccs3)c2=O)=C(C#N)[C@@H]1c1cccs1 2350608 YKVPEDPSIBRJCY-XIEDVDOYSA-N 394.506 1.984 50 40 GDGB COC(=O)CN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2ccccc21 5751828 JLUYWWCBQOMZCW-QOCHGBHMSA-N 381.388 1.414 50 40 GDGB COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 869532 XPWPYBZRVYEDFX-UHFFFAOYSA-N 381.366 1.235 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2OC)cc1 6544767 DVUXRRNWJRJWEI-XDHOZWIPSA-N 391.449 1.475 50 40 GDGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccccn2)cc1OC 101533380 CFSAALPZCXUIHL-OEAKJJBVSA-N 384.436 1.954 50 40 GDGB COc1ccccc1C(=O)NN(CCC#N)C1=NS(=O)(=O)c2ccccc21 4181193 FBYUSGMGIJTFBO-UHFFFAOYSA-N 384.417 1.705 50 40 GDGB NNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408550169 ASRMKYSGERXXDH-UHFFFAOYSA-N 389.355 1.875 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1 409164999 QUJNAQZSWRDZTP-YDZHTSKRSA-N 394.431 1.765 50 40 GDGB O=C(CN1CCOCC1)N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 33416283 TXEAMESONVGKRI-BKUYFWCQSA-N 398.419 1.956 50 40 GDGB O=C(CN1CCOCC1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28214344 AZUHGIQXTSRSPA-HYARGMPZSA-N 396.447 1.486 50 40 GDGB COc1ccc(-c2nc(C(=O)NNC(=O)c3cnccn3)cs2)cc1OC 12797958 FCVZXELQHKOPSN-UHFFFAOYSA-N 385.405 1.692 50 40 GDGB CCOc1ccc(S(=O)(=O)NNC(=O)Cn2nc(C)cc2C)cc1OCC 7927900 RNFXCBPNYVCIKK-UHFFFAOYSA-N 396.469 1.307 50 40 GDGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccco3)nnn2-c2nonc2N)cc1 9190431 GZPGHDAIAPAPAO-DJKKODMXSA-N 378.352 1.565 50 40 GDGB COCCCCS(=O)(=O)NNC(=O)c1ccc(COc2ccccc2)o1 95945598 KQEFYDBLYKGQJW-UHFFFAOYSA-N 382.438 1.849 50 40 GDGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(C)cc3)C2=O)c(OC)c1 2446822 HIZVHOLNTGDTKM-HNNXBMFYSA-N 383.404 1.579 50 40 GDGB CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)c1 28438322 UZOZOEUEMWHOKJ-OAHLLOKOSA-N 384.436 1.659 50 40 GDGB COCc1c(C(=O)N/N=C(\C)c2ccc(Cl)s2)nnn1-c1nonc1N 9046884 CCSRIMMFKTUKQW-OMCISZLKSA-N 396.820 1.248 50 40 GDGB COc1ccc(C(=O)NN(CCC#N)C2=NS(=O)(=O)c3ccccc32)cc1 59488033 BGAFEFKQSOELSU-UHFFFAOYSA-N 384.417 1.705 50 40 GDGB Cc1c(NC(=S)NNC(=O)c2ccncc2)c(=O)n(-c2ccccc2)n1C 1065605 FXKTWLQUGJPBAF-UHFFFAOYSA-N 382.449 1.511 50 40 GDGB O=C(CCC(=O)c1cccs1)NNC(=O)c1csc(N2CCOCC2)n1 9910671 CNMGJUQVXUSNFQ-UHFFFAOYSA-N 394.478 1.465 50 40 GDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1 39986609 LVNXMEYLOKQSOU-WQRHYEAKSA-N 390.421 1.674 50 40 GDGB O=C(NNC(=O)c1cc(Cn2cc([N+](=O)[O-])cn2)on1)c1ccc(Cl)cc1 66089348 DXGGMAPQXHAUPE-UHFFFAOYSA-N 390.743 1.556 50 40 GDGB O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1coc(=O)c(Br)c1 2371293 GXZAHPVPEKCBCP-NEPJUHHUSA-N 377.194 1.967 50 40 GDGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)ccc1O 6544405 AQBHOKPSLLWHGA-VXLYETTFSA-N 395.412 1.311 50 40 GDGB COc1ccccc1/C=N/NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 662986 CQSRFVJCLXSJLF-UFFVCSGVSA-N 391.391 1.827 50 40 GDGB CCCc1noc(CCC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)n1 24836375 WPBOEFHODVFVRS-UHFFFAOYSA-N 398.423 1.146 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 12973786 RMCWGQBFTXASIF-UHFFFAOYSA-N 399.768 1.600 50 40 GDGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21 5562447 YNAYIUDCQXRTMZ-MOHJPFBDSA-N 380.379 1.609 50 40 GDGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccn1 408960557 GWLHYXPYAIBXDF-YDZHTSKRSA-N 391.431 1.659 50 40 GDGB N#Cc1ccnc(Nc2nc([C@H]3CCCN3Cc3ccc(B(O)O)o3)cs2)c1 585295378 XEBCGYLTGZLUNO-OAHLLOKOSA-N 395.253 1.763 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2F)cc1C 16282966 OBGWVCOTEHTPBP-JAIQZWGSSA-N 393.440 1.914 50 40 GDGB IC[C@@H]1OO[C@H]1[C@H]1OO[C@H]1CI 104055836 MJPRKZQWHUKEGW-OMMKOOBNSA-N 397.934 1.254 50 40 GDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(OC)ccc2OC)c1C#N 1502011 DWWQMRMVZUIJKS-LSHDLFTRSA-N 398.419 1.954 50 40 GDGB O=C(NCc1ccccc1F)NNC(=O)c1csc(N2CCOCC2)n1 13009561 QXVDUPTYPFRKLW-UHFFFAOYSA-N 379.417 1.263 50 40 GDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1Cl 7955268 BJRUCSKXKVKOPU-ZETCQYMHSA-N 395.662 1.298 50 40 GDGB CCc1cc2c(=O)n(CC(=O)N/N=C\c3ccc(O)c(OC)c3)cnc2s1 31783543 AZZIYTSVSSBMDR-ZBKNUEDVSA-N 386.433 1.885 50 40 GDGB Cc1ccc2c(c1)/C(=N/NC(=O)[C@H](C)n1cnc3ccccc3c1=O)C(=O)N2 100279629 HBSSFOCGMDSULW-LBPRGKRZSA-N 375.388 1.739 50 40 GDGB CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2ccccc2C)c1 45591849 BQWGEXMSXHELDH-UHFFFAOYSA-N 375.450 1.676 50 40 GDGB CCn1nc(C(=O)NNC(=O)[C@@H](C(C)C)N2CCCC2)c2ccccc2c1=O 48367418 PAXDSFULLGCPKY-QGZVFWFLSA-N 385.468 1.298 50 40 GDGB Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 5099867 IBXLOXAVKOEFRO-VXLYETTFSA-N 381.348 1.192 50 40 GDGB CN1C(=O)/C(=N/NC(=O)c2ccccc2N(C)S(C)(=O)=O)c2ccccc21 409337972 ALNAXRVTKCGYPJ-KNTRCKAVSA-N 386.433 1.193 50 40 GDGB COc1ccccc1N(CC(=O)N/N=C/c1sccc1C)S(C)(=O)=O 408908166 ULSHIIHSNFVJFX-LICLKQGHSA-N 381.479 1.981 50 40 GDGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 409379329 WERPIKIYNRZMTJ-UGQVUOCMSA-N 385.420 1.565 50 40 GDGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(Br)cc1 2520698 PQIGHRDVYBCMPF-OMCISZLKSA-N 391.189 1.067 50 40 GDGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 104405825 PCCYXMDXUKAHGC-LGYHHDLISA-N 387.436 1.221 50 40 GDGB O=C(CCS(=O)(=O)c1ccccc1)NNC(=O)CSc1ccccc1F 6560218 DMMLREMTTSJKHU-UHFFFAOYSA-N 396.465 1.929 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 408787850 AFGPGYSJOGCYKG-YBFXNURJSA-N 379.413 1.751 50 40 GDGB O=C(NNC(=O)c1csc2c1CCCC2)C(=O)Nc1ccccc1C(=O)O 226819589 PNVMXMMTCSNOHM-UHFFFAOYSA-N 387.417 1.725 50 40 GDGB O=C([C@H]1C[C@@H](Cl)CN1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 5505677 FXKAXBGZCPULAN-TZMCWYRMSA-N 393.292 1.569 50 40 GDGB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@@H]2C)OCO4)c1O 5956855 JAONDLJNKHLARC-AWBWRCJSSA-N 387.392 1.789 50 40 GDGB CCCCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc1 2328602 OCMVLXJLEPTABK-VXLYETTFSA-N 384.400 1.484 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cccnc1 34759316 GEVYVRKLGDBOOI-ODLFYWEKSA-N 376.438 1.169 50 40 GDGB COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O 35974039 OSUCVFYTUDUBPH-CAOOACKPSA-N 390.308 1.746 50 40 GDGB O=C(CSCc1ccccc1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 18192290 LTONGPNXWGKMNH-UHFFFAOYSA-N 381.435 1.838 50 40 GDGB O=C(CCC(=O)NNC(=O)Cc1ccccc1)NCc1ccc2c(c1)OCO2 4695623 FHLYSHHYLGAKAC-UHFFFAOYSA-N 383.404 1.202 50 40 GDGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(F)cc1 408972489 UKDJYIXFUAQCHD-TYLRVVQJSA-N 386.427 1.979 50 40 GDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCCO3)c1 6453948 JOIFKFGUVGPZJP-RGVLZGJSSA-N 385.376 1.564 50 40 GDGB O=C(NNC(=S)NC[C@H]1CCCO1)c1nn(-c2ccccc2)c2c1CCC2 22617665 BXCGVNDYAJTUDC-CQSZACIVSA-N 385.493 1.649 50 40 GDGB O=S1(=O)C=C[C@@H](NC(=S)OCC(Br)Br)C1 59568553 MOYWVLFRSVXBGN-RXMQYKEDSA-N 379.095 1.304 50 40 GDGB CC(=O)c1cccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 9364077 VSMUVNDSMHKUKP-CQSZACIVSA-N 381.388 1.755 50 40 GDGB COc1ccc(C2=NO[C@@H]3[C@@H]4CO[C@H](O4)/C(=N\NC(=O)c4ccccc4)[C@@H]23)cc1 100224035 KZPSFDVJTJLLMF-VVEBYCCFSA-N 393.399 1.955 50 40 GDGB O=C(CN1CCCCCC1=O)NNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102411558 YOLGEBSJGJOSJX-SNEKZUEESA-N 377.485 1.258 50 40 GDGB Cc1cccc(OCC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 10365847 SWNWEHATGXFTCW-UHFFFAOYSA-N 387.348 1.286 50 40 GDGB CCn1c(C)nc2cc(C(=O)NNC(=O)CNC(=O)c3cccc(C)c3)ccc21 12526756 YEEHAOACVGMEAZ-UHFFFAOYSA-N 393.447 1.864 50 40 GDGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 2056248 UMBBAGXBYRTGCQ-UHFFFAOYSA-N 394.365 1.743 50 40 GDGB O=C(COC(=O)c1ccccc1[N+](=O)[O-])NNC(=O)c1ccccc1Cl 7939757 UCHXXNCMFCFBLI-UHFFFAOYSA-N 377.740 1.866 50 40 GDGB CN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2cc(Br)ccc21 18192106 HUCHTYKKCRPRGX-FHHIAAGZSA-N 388.221 1.979 50 40 GDGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 19954402 JDXKHYJJRAOBAP-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB CCn1c(O)c(C(=O)NNC(=O)COc2ccccc2)c(=O)c2ccccc21 5432342 YEOFKUWFZDLYMK-UHFFFAOYSA-N 381.388 1.567 50 40 GDGB O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 4017424 FHBPPJNBSKRQRH-SYVFOJRSSA-N 395.047 1.239 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccc(C)cc2)cc1 895368 KCGMYOBJIFHIRY-UHFFFAOYSA-N 377.422 1.342 50 40 GDGB CCOC(=O)c1ccc(NC(=O)CNNC(=O)COc2ccccc2C)cc1 3300944 FTNFEDJYERUJGN-UHFFFAOYSA-N 385.420 1.810 50 40 GDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 3360553 ZFCPXKLPFPEBTB-CRAIPNDOSA-N 395.415 1.023 50 40 GDGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccccn3)C(=O)NC2=S)cc1 408754909 SOIWGKRBGAOUAH-CFFVULROSA-N 381.417 1.170 50 40 GDGB Cc1nc(CN2CCN(CC(=O)NNC(=O)c3ccccc3F)CC2)cs1 32761126 IJQBZFQHAYXDTD-UHFFFAOYSA-N 391.472 1.169 50 40 GDGB COc1cccc(C(=O)NCC(=O)NNC(=O)c2ccccc2-n2cccc2)c1 12517340 BOHIXFXKSQXSGS-UHFFFAOYSA-N 392.415 1.677 50 40 GDGB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 12985588 LHBZZXJPNFESHY-UHFFFAOYSA-N 379.350 1.255 50 40 GDGB CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)N/N=C/c1ccccc1)O[C@@H]1OC(C)(C)O[C@H]21 4027672 RSRNJGQXENBJIJ-QZTDEWMQSA-N 376.409 1.533 50 40 GDGB biogenic Cn1c(N)c(/N=C/c2ccc(N(CCCl)CCCl)cc2)c(=O)n(C)c1=O 1712932 QGDFGZJQUPYAMX-SRZZPIQSSA-N 398.294 1.701 50 40 GDGB CCOc1cc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)ccc1O 109776852 FLNMNJKDHAZJFF-UNOMPAQXSA-N 397.497 1.835 50 40 GDGB CC1(C)[C@@]2(CBr)CC[C@]1(C(=O)NCCN)[C@@H](Br)C2=O 109275002 NAUZHLKPFNYNAP-ZEGGKSINSA-N 396.123 1.595 50 40 GDGB O=C(CCc1nc2ccccc2c(=O)[nH]1)NNc1nc(-c2ccncc2)no1 58310548 LHCGUCYFCCQBMS-UHFFFAOYSA-N 377.364 1.444 50 40 GDGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1 408922394 AJVIQOBFJBALDT-GNUZOCDUSA-N 390.465 1.785 50 40 GDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3c(F)cccc3F)CC2=O)cc1 408616207 XGSVMCVNALEWLC-NSHDSACASA-N 389.358 1.788 50 40 GDGB CC(C)CNC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 4852703 LTVPHVJPALCUAE-SECBINFHSA-N 376.240 1.680 50 40 GDGB O=C(CNC(=O)c1cccc(Br)c1)NNC(=O)c1cccs1 13141543 ZKNBDFQAJNHZLM-UHFFFAOYSA-N 382.239 1.702 50 40 GDGB C/C(N)=C(/C#N)C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 6292569 MELCCQNCLYNPTQ-DGDHUYAWSA-N 391.427 1.896 50 40 GDGB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccs3)C2=O)cc1 100142075 OJBYKWJOZRCBLW-CYBMUJFWSA-N 387.417 1.491 50 40 GDGB Cc1nc(C)c(CC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(=O)[nH]1 31273644 MDDJGVDCGOYSJL-UHFFFAOYSA-N 385.302 2.000 50 40 GDGB O=C(NNC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1 1745295 SBWDJHGBQRGWFA-UHFFFAOYSA-N 395.202 1.216 50 40 GDGB O=C1CCC/C(=N/NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 101948772 QWOFAFGNUXSHMT-LGMDPLHJSA-N 383.495 1.764 50 40 GDGB CCOc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OC(C)=O 2420297 UCTBOADCQJDNAU-CAOOACKPSA-N 377.426 1.382 50 40 GDGB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCBr 4196117 UZEMJKLNYFUDBN-UHFFFAOYSA-N 397.225 1.903 50 40 GDGB C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(OCC(N)=O)cc1 5959661 AFQZDNJEAHUJNP-UFFVCSGVSA-N 383.330 1.306 50 40 GDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccncc1 9308301 HOMFRNGMMJLIIJ-DJKKODMXSA-N 395.408 1.510 50 40 GDGB COc1ccc(C(=O)NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC 8396659 CRYJWSTXHRAXTP-UHFFFAOYSA-N 381.366 1.235 50 40 GDGB COc1cc(-c2ncc(C(=O)NN)c(N3CCCCC3)n2)cc(OC)c1OC 223461329 OYOAXVOXFNJHMQ-UHFFFAOYSA-N 387.440 1.763 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 5718020 XKDAGZJTQBJXCL-RGVLZGJSSA-N 383.360 1.650 50 40 GDGB Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2Cl)cc1C 3319382 XWBYVPPTBNWNES-UHFFFAOYSA-N 395.868 1.696 50 40 GDGB COc1ccc(CCNC(=S)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 8390010 JCWODXBWYNSYNF-KRWDZBQOSA-N 387.461 1.573 50 40 GDGB CCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@@H](C)C2)nc2c(C)cccn2c1=O 5024143 FZILGHNTHHALFC-AAHBMTESSA-N 395.463 1.660 50 40 GDGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCC(N)=O 8496952 IZTGEGPXNCRNCP-LSHDLFTRSA-N 385.420 1.705 50 40 GDGB COc1ccc(C=NNC(=O)COc2ccc(=O)n(-c3ccccc3)n2)cc1 26504324 FYKKOGNXAYKARI-UHFFFAOYSA-N 378.388 1.770 50 40 GDGB NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 4133644 HINVZZGZGSSRDE-UHFFFAOYSA-N 384.255 1.634 50 40 GDGB O=NN(CCI)C(=O)NCCI 4896758 WGEGSYFOMVBDPH-UHFFFAOYSA-N 396.954 1.549 50 40 GDGB C=CCN1C(=O)/C(=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c2ccccc21 18192136 UAXQLRHELNZJOK-GNOPNOQESA-N 388.427 1.569 50 40 GDGB CCCc1c(C(=O)N/N=C/c2c(C)cc(C)cc2C)nnn1-c1nonc1N 5477582 YXWUBPBOYJQPRA-AWQFTUOYSA-N 382.428 1.874 50 40 GDGB COc1cccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1O 16309254 UMJIZYBQOLLLPD-ODLFYWEKSA-N 391.449 1.480 50 40 GDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 6603198 HZMODKWLFNPXPJ-RQZCQDPDSA-N 396.812 1.677 50 40 GDGB O=C(NN[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1cccnc1 100115981 JCWCFHHTOLCZGK-ZDUSSCGKSA-N 378.310 1.667 50 40 GDGB CCOc1ccc(C(=O)NCC(=O)NNC(=O)c2ccco2)cc1OCC 7654116 WEBCSMWXPXUUCV-UHFFFAOYSA-N 375.381 1.268 50 40 GDGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccccc1 101052590 WRJMXBUVYUAIHB-DKJTXKKOSA-N 379.206 1.984 50 40 GDGB O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1ccc2c(c1)OCO2 8272042 IKSBJBXRYJUPAQ-UHFFFAOYSA-N 383.360 1.565 50 40 GDGB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/NNC(=O)c1ccncc1 4855971 ZMALNJLUIWIDDU-PKNBQFBNSA-N 385.767 1.136 50 40 GDGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(N)=O)cc1OC 3251124 XORNPGWGGFEQET-SSDVNMTOSA-N 393.403 1.492 50 40 GDGB COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)CN3CCOCC3)c2C)c1 408999117 WKBOCUAEJDNBTJ-XKZIYDEJSA-N 398.463 1.663 50 40 GDGB O=C(CC1CCCC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3554499 QSNWQNARDXGMNT-UHFFFAOYSA-N 379.482 1.812 50 40 GDGB Cc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C)o2)C=3C#N)o1 13739588 RYKJDDQQSLJQJM-UGIZUQJLSA-N 390.424 1.664 50 40 GDGB COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N2CCOCC2)c1C 14019361 MKLULRDIQDBISY-YAJBTMAUSA-N 389.452 1.449 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 408774521 MAKRUXNEVALHNV-XDHOZWIPSA-N 391.449 1.620 50 40 GDGB COc1ccccc1-n1nc(C(=O)N/N=C/c2ccccn2)c(C)c(C#N)c1=O 409057823 IFKVRNBNXIAPTH-FSJBWODESA-N 388.387 1.580 50 40 GDGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 137434764 SDOFBPPYPGLADP-JNGUMFSISA-N 386.415 1.758 50 40 GDGB C[C@@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 32999505 WIBDBOXECJMZJA-CHWSQXEVSA-N 388.399 1.951 50 40 GDGB Cc1cccc(Cn2c(SC[C@@H](O)CCl)nc3c2c(=O)[nH]c(=O)n3C)c1 839493 MJLHBPJOVKNMJV-LBPRGKRZSA-N 394.884 1.472 50 40 GDGB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 26692797 XAMWLRWDCNNPNW-JKSUJKDBSA-N 387.392 1.021 50 40 GDGB NC(=O)[C@H]1CC(C(=O)NNC(=O)c2ccccc2Cl)=NN1c1ccccc1 12986692 PHHKMZKAOABJQO-OAHLLOKOSA-N 385.811 1.221 50 40 GDGB O=C(CCC(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)NCc1ccccc1 6339450 MKUWCWBOMRTTNZ-LSDHHAIUSA-N 375.425 1.121 50 40 GDGB O=C(NCCc1cccc(F)c1)NNC(=O)c1nn(-c2ccccc2)cc1O 9154785 GIWJKPZCVKIDAE-UHFFFAOYSA-N 383.383 1.904 50 40 GDGB CC(C)NC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408827666 LSXWZNUVFFOKBU-UVTDQMKNSA-N 380.404 1.966 50 40 GDGB Cc1ccc(NC(=O)NNC(=O)CNC(=O)Nc2n[nH]c(=S)s2)c(C)c1 17124033 KUWBLUCNOYAHQS-UHFFFAOYSA-N 395.470 1.792 50 40 GDGB COc1cc(CC(=O)NNC(=O)Cn2cnc3ccccc32)cc(OC)c1OC 12553844 SKDSUIHSEXMWSW-UHFFFAOYSA-N 398.419 1.452 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(C)(=O)=O)cc1 20060446 YJDQHUDRROKNOC-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB C[C@@H](Nc1ccc(Br)cc1)c1nnc(SCC(=O)NN)n1C 66324367 CHNVIXIEOCXJDS-MRVPVSSYSA-N 385.291 1.833 50 40 GDGB Cc1cccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 20060266 RUSHHICQMAKFRS-VXLYETTFSA-N 389.433 1.640 50 40 GDGB Cc1nc2ncnn2c(C)c1CCC(=O)NNc1nc(-c2ccncc2)no1 78729592 NKSRFZBYMRJLJH-UHFFFAOYSA-N 379.384 1.262 50 40 GDGB CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1[N+](=O)[O-] 32118887 PULVPNMUWHDCHC-UHFFFAOYSA-N 389.393 1.338 50 40 GDGB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 245380476 ZYQSWUFUVGIGTA-NJURLYQPSA-N 395.364 1.897 50 40 GDGB biogenic CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1C 8993172 ZKBHRXMZNGUYPH-FBKCMUNRSA-N 385.445 1.687 50 40 GDGB C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccccc1O 408782548 IELUUOJXBJXROF-XDHOZWIPSA-N 379.413 1.838 50 40 GDGB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)c1ccc(OC(C)C)cc1 40143930 CRDJUMKPSZEFPK-UHFFFAOYSA-N 395.437 1.406 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 6953879 GJOBWFVUWYYFEL-FSJBWODESA-N 396.447 1.907 50 40 GDGB O=C(CNC(=O)c1ccccc1O)N/N=C/c1cc(Br)ccc1O 18192918 CYQDHSTUHUHNDV-UFWORHAWSA-N 392.209 1.740 50 40 GDGB O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccco1 7653981 LQYIHKYNPXZRSY-UHFFFAOYSA-N 395.412 1.281 50 40 GDGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1cccc(O)c1 408732508 VZIRSKOYEPFWKJ-OMCISZLKSA-N 388.236 1.679 50 40 GDGB COc1ccccc1OCC(=O)NNC(=O)CSC(=S)N1CCCC1 32731592 NIZDSPZCPXWXSS-UHFFFAOYSA-N 383.495 1.335 50 40 GDGB CCOc1ccc(N(CC(=O)NN)S(=O)(=O)c2cc(C)ccc2OC)cc1 223467711 DYQCYVSPWXZPKU-UHFFFAOYSA-N 393.465 1.588 50 40 GDGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc3c(c2)n(C)c(=O)n3C)n1 8336701 HMENWAKWSCSROE-DJKKODMXSA-N 384.465 1.526 50 40 GDGB COc1ccc(/C=C/C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1 1794898 JPXHZXDABHPFHX-FMIVXFBMSA-N 381.432 1.952 50 40 GDGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 255897358 LOFBWESEBFUNJU-ZQKJNDHMSA-N 392.448 1.895 50 40 GDGB biogenic,in-vitro CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 8091887 HKMFSYUOALQRIC-UFFVCSGVSA-N 388.811 1.554 50 40 GDGB COc1ccccc1C(=O)NN[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 18190670 DUFLIGNHAFJSLU-CQSZACIVSA-N 397.387 1.033 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 19953976 VYMCMLXZVABBLL-GZTJUZNOSA-N 376.394 1.511 50 40 GDGB CCOc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 5465026 CGYRVTKOPQCAFW-OEAKJJBVSA-N 399.447 1.912 50 40 GDGB Cc1cc(CO)c(C(=O)NN)c(SCC(=O)Nc2cccc3cccnc23)n1 4751827 LWMXLJKVOLSFIM-UHFFFAOYSA-N 397.460 1.765 50 40 GDGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 104334804 AMAQVPWRQYCINN-KGAUPUERSA-N 391.449 1.098 50 40 GDGB Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)[nH]n2)cc1 12535631 KEELMAUREIKFSG-SFHVURJKSA-N 378.388 1.986 50 40 GDGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)c3cccc(O)c3)C(=O)NC2=S)cc1 408758302 IOERCXBLIIVVKU-VYXQJKENSA-N 396.428 1.480 50 40 GDGB Cc1c(NC(=O)C(=O)N/N=C/c2cccs2)c(=O)n(-c2ccccc2)n1C 2418134 XKBYWUFJSROQLN-YBFXNURJSA-N 383.433 1.635 50 40 GDGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(C)=O)C1=O 5554925 OVCOFTKKHAEPBI-LCYFTJDESA-N 379.463 1.454 50 40 GDGB CCCc1c(C(=O)N/N=C/c2ccc(OCC)cc2)nnn1-c1nonc1N 9308081 WJTFXGFIBQBTNY-VXLYETTFSA-N 384.400 1.348 50 40 GDGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(C(N)=O)cc2)cc1OC 32565554 QYMCSXOCLJKVJF-KSEXSDGBSA-N 393.403 1.957 50 40 GDGB COc1ccc(NCC(=O)NNC(=O)CNC(=O)c2cc(C)cc(C)c2)cc1 12606858 NIZZMIQNPSNEPL-UHFFFAOYSA-N 384.436 1.301 50 40 GDGB O=C(COC(=O)c1cc(Cl)ccc1O)NNC(=O)c1ccc([N+](=O)[O-])cc1 5746463 LRKUSCQXXKRIMB-UHFFFAOYSA-N 393.739 1.572 50 40 GDGB CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 4870959 DCOFXCBWUDPCJR-LJQANCHMSA-N 379.376 1.000 50 40 GDGB CC(C)(C)OC(=O)N1CC(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 84199975 AQFYEJQQQNBTHP-HNNXBMFYSA-N 391.424 1.231 50 40 GDGB CCN(CC)c1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1 1022459 NXOMLFLLSKOUAO-VXLYETTFSA-N 383.416 1.151 50 40 GDGB O=C(NNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccnc1 852567 YZECPCLXMIONLP-UHFFFAOYSA-N 386.367 1.957 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)c(OC)c1 20210803 RNWSRTINNZGRFQ-YBFXNURJSA-N 392.437 1.015 50 40 GDGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 20213483 VMTNLLNAHYGFHM-HYARGMPZSA-N 395.444 1.822 50 40 GDGB N#Cc1cc(C(=O)O)c(=O)[nH]c1SSc1[nH]c(=O)c(C(=O)O)cc1C#N 2234304 ZSOJXPMCNNOPQI-UHFFFAOYSA-N 390.358 1.002 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1cnccn1 12897395 FTLMLUIDQIVNQD-UHFFFAOYSA-N 380.735 1.772 50 40 GDGB CC1(CC(=O)N/N=C/c2ccc(I)o2)OCCCO1 408719426 MKNUKVVJLAYKNE-RIYZIHGNSA-N 378.166 1.878 50 40 GDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NN1C(=O)c2cccc3cc(O)cc(c23)C1=O 16694047 FASGFWYMRXPRSS-NVNXTCNLSA-N 388.339 1.026 50 40 GDGB Nc1nnnn1CC(=O)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 6392610 SVPOSCIFGGMBEU-LSFURLLWSA-N 392.398 1.548 50 40 GDGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3nnc(N)s3)o2)cc1 1779747 VMTUHLKPOPNEPO-DJKKODMXSA-N 385.405 1.860 50 40 GDGB CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 8113789 TWMZDUOXSKPOOI-UHFFFAOYSA-N 378.406 1.480 50 40 GDGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)C(=O)NCc1ccccc1 100523033 QSXPTTHIIXHMGP-BUVRLJJBSA-N 395.463 1.890 50 40 GDGB O=C(NNC(=O)[C@@H]1Cc2cncn2C(=O)N1)Nc1cccc(C(F)(F)F)c1 1404764 AIGNIYHVKVQZTJ-NSHDSACASA-N 382.302 1.237 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)cc1OC 20211303 YOANFRSHPHYDRZ-YBFXNURJSA-N 392.437 1.015 50 40 GDGB CCOc1ccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1OCC 409083184 SCUSAAWYUULUOD-HNNXBMFYSA-N 397.435 1.133 50 40 GDGB O=C(CSc1nnnn1-c1ccccc1)N/N=C\c1cccc([N+](=O)[O-])c1 72370106 WTNAVVPARSNILQ-YVLHZVERSA-N 383.393 1.813 50 40 GDGB CN(C)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 6356893 BAGAQCFMPRQQQE-DEDYPNTBSA-N 388.493 1.665 50 40 GDGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2OC)c2ccccc21 23358619 QHNUPFYZNUYYJL-CLCOLTQESA-N 392.415 1.478 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 58881059 LCTXTEJSHMAXNH-KEBDBYFISA-N 389.795 1.981 50 40 GDGB COc1ccc(CC(=O)NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC 8396662 WJXRAMOJCHTVMF-UHFFFAOYSA-N 395.393 1.164 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccc(F)cc1 408776666 PUNVVPJPORKRAX-DJKKODMXSA-N 393.396 1.471 50 40 GDGB COC(=O)c1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 3265280 CDBAKBCRUOEWKX-UHFFFAOYSA-N 387.304 1.185 50 40 GDGB O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)N[C@H]1CCc2c(Cl)cccc21 56900805 MPFTVRBJLKPKTI-HZMBPMFUSA-N 385.873 1.483 50 40 GDGB CCOC(=O)/C(C#N)=C/c1c(N2CCN(CC)CC2)nc2c(C)cccn2c1=O 2207571 JCOILDSBBDYRAZ-DTQAZKPQSA-N 395.463 1.615 50 40 GDGB C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 958318591 LOFBWESEBFUNJU-RJMHMIJWSA-N 392.448 1.895 50 40 GDGB biogenic,in-vitro C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)C(=O)NCCO 100900370 XGLKTBWVKUEWCN-ZVHZXABRSA-N 397.435 1.359 50 40 GDGB O=C(C[C@H]1C=CCC1)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 8053351 KMSUUTUVJKCXRC-ZDUSSCGKSA-N 385.445 1.852 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1O 20060311 HGSSBGNFCBHJOG-YBFXNURJSA-N 391.449 1.626 50 40 GDGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1ccco1 3232572 DEBMJMKVESJVOV-XMHGGMMESA-N 391.449 1.383 50 40 GDGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1 4728550 HUCRRHIDDXFXIZ-VGOFRKELSA-N 384.443 1.928 50 40 GDGB C[C@H](C(=O)N/N=C/c1ccc(C(=O)O)cc1)N(c1ccccc1)S(C)(=O)=O 408907479 OZYVKOHGZDSNBT-KZKLBEMASA-N 389.433 1.690 50 40 GDGB COC(=O)c1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 32576931 RGLLZTKUTNWJGV-HAHDFKILSA-N 394.475 1.741 50 40 GDGB CC(C)Cn1c(N)c(/C=N/NC(=O)c2ccc(Cl)cc2)c(=O)n(C)c1=O 6079033 BHGZORLZELTIRI-DNTJNYDQSA-N 377.832 1.203 50 40 GDGB COc1cccc(C(=O)NCC(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)c1 100368012 IRFNCZYIPFBGCZ-LYBHJNIJSA-N 394.431 1.701 50 40 GDGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 17080965 KABKKGINJUDKRL-UHFFFAOYSA-N 396.381 1.627 50 40 GDGB CS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccccc2C(F)(F)F)C1 17077162 QDDLFNXXXQFYSS-DKSCHZSNSA-N 377.388 1.827 50 40 GDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccccc2)C1 3360554 ZFCPXKLPFPEBTB-YJBOKZPZSA-N 395.415 1.023 50 40 GDGB CCCCCCC(=O)NN/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 9348251 CKTGYQLCFXGQNG-JQIJEIRASA-N 386.452 1.783 50 40 GDGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1 6211772 VDGSTDYWCLQVQO-WPTYDKDZSA-N 392.415 1.322 50 40 GDGB COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)N1CCOCC1 35771787 HIRNIEOTCMLYNW-HMAPJEAMSA-N 397.431 1.697 50 40 GDGB O=C(Cc1ccccc1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408741912 SKQPLVWLHOIPSL-RVZJCZPVSA-N 380.429 1.395 50 40 GDGB Nc1nnc(CC(=O)N/N=C/c2cccc(OCCBr)c2)s1 2284066 CSHRRUBKUORUNC-LZYBPNLTSA-N 384.259 1.587 50 40 GDGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(OC)c(OC)c3)C2=O)cc1 100128059 LMOAKEOLODUEIE-OAHLLOKOSA-N 399.403 1.279 50 40 GDGB COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H](NNC(=O)c2ccccc2)C1=O 4899248 KPQMXIBPDAWFQG-CYBMUJFWSA-N 384.348 1.170 50 40 GDGB Cc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)o2)cs1 5832656 RTVZGFPEZIAHMA-UHFFFAOYSA-N 389.462 1.979 50 40 GDGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccco1)OCc1ccccc1 408986713 DCKDAIJLIVPAQY-ZTBJCTOSSA-N 381.392 1.991 50 40 GDGB CC[C@@H](Br)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 2570365 GOXWJGGJEIMMAB-ZCFIWIBFSA-N 394.067 1.370 50 40 GDGB O=C(CCl)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 12310267 HXYZZRLTKGPTSC-UHFFFAOYSA-N 375.795 1.237 50 40 GDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 52411126 UDGFVPMEZDIEGC-CYBMUJFWSA-N 398.375 1.418 50 40 GDGB CCOC(=O)/C(=N\Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)CCl 100843871 DEUAXHAHSVULTB-HKWRFOASSA-N 378.816 1.623 50 40 GDGB CCn1c(SCC(=O)OCC(=O)/C(C#N)=C(/C)N)nnc1-c1cccs1 104417499 VJGDYSUBGRIRJO-KHPPLWFESA-N 391.478 1.987 50 40 GDGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccc(O)c(O)c1O 3232428 PZQXQAZDYXIOEM-KGENOOAVSA-N 384.436 1.466 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(C)(=O)=O)cc1 20060347 YNLNWZDINQOGLH-XDHOZWIPSA-N 391.449 1.620 50 40 GDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1c(F)cccc1F 408616078 VLBMRYWDIKBBFN-SNVBAGLBSA-N 377.322 1.918 50 40 GDGB CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)ccc1O 19953931 MASMIBDCVMAHEW-XDHOZWIPSA-N 391.449 1.707 50 40 GDGB COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccco1 3083374 ZIEMJWVHZJMYCF-QGMBQPNBSA-N 380.198 1.931 50 40 GDGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccccc2-n2cnnn2)cc1 68746096 QTNXVGBDOXEITD-CYBMUJFWSA-N 396.407 1.290 50 40 GDGB O=C(NCCc1ccccc1F)NNC(=O)c1csc(N2CCOCC2)n1 12913301 PBZCGJWPLXPRBG-UHFFFAOYSA-N 393.444 1.306 50 40 GDGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccc(C)cc2)cc1 895344 VQZADKGQDHQSCT-UHFFFAOYSA-N 378.406 1.170 50 40 GDGB CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1ccco1 14182851 ABKNKLXSMNXSJP-TYZQSYOASA-N 391.449 1.656 50 40 GDGB Cc1cccc2c1NC(=O)/C2=N\NC(=O)Cn1cnc2sc(C)c(C)c2c1=O 5603015 NAHIKBZJONANMF-UHFFFAOYSA-N 395.444 1.856 50 40 GDGB COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21 5015241 WQLDECMXBAVHFY-RVDMUPIBSA-N 380.448 1.980 50 40 GDGB CCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 12605822 VZGWIEWSNZGIKY-UHFFFAOYSA-N 377.422 1.667 50 40 GDGB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)NNC(=O)c1ccccc1 7940083 RMTBUKPMLMTAGS-KRWDZBQOSA-N 395.415 1.040 50 40 GDGB Nc1nonc1-n1nnc(C(=O)NNC(=O)C2CCCCC2)c1-c1ccccc1 2252414 QRUNAGGDDDCUFG-UHFFFAOYSA-N 396.411 1.241 50 40 GDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1 6507514 VOVIJUHEARYWFY-LLVKDONJSA-N 380.397 1.458 50 40 GDGB O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccccc1 408686325 RPLPZLHOIGQMSK-DZDPUUJWSA-N 379.210 1.019 50 40 GDGB CCCn1c(O)c(C(=O)NNC(=O)COc2ccccc2)c(=O)c2ccccc21 5408331 KBEQYHISTSSTPP-UHFFFAOYSA-N 395.415 1.957 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2c(c1)CCC2)c1cncn1-c1ccccc1 8725342 HCRYVCLATVDVAA-UHFFFAOYSA-N 382.445 1.984 50 40 GDGB COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OC 409127330 PMMHAGGFNVSROR-XDHOZWIPSA-N 391.449 1.864 50 40 GDGB COc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c(OC)c1 34687375 OUWOEUAYEAIMND-UNOMPAQXSA-N 397.497 1.748 50 40 GDGB CCn1c(NNC(=O)c2ccc(CNC(N)=O)cc2)nc2ccccc2c1=O 40033926 IPTJHGGWBQRYQL-UHFFFAOYSA-N 380.408 1.342 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 20211757 FKBAOCNTKBZTCA-YBFXNURJSA-N 379.413 1.751 50 40 GDGB CCCOc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 12912646 KKUAOOXHSXKDBQ-UHFFFAOYSA-N 396.403 1.795 50 40 GDGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc(OC)c1OC 4570668 DMFLLIPNWANCEJ-MRXNPFEDSA-N 383.404 1.938 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 101551313 VITLLAKWXNKKBP-TXEJJXNPSA-N 391.811 1.061 50 40 GDGB CC(C)c1c(C(=O)N/N=C/c2ccc(F)cc2F)nnn1-c1nonc1N 2399089 YMXGKSKRNGESHO-KPSZGOFPSA-N 376.327 1.398 50 40 GDGB O=C(NCCOCCOc1ccccc1)NNC(=O)[C@@H]1Cc2ccccc2O1 65501729 YGFVOPTZKNOUFN-SFHVURJKSA-N 385.420 1.416 50 40 GDGB C[C@H]1CCc2sc(C(=O)NNC(=O)C3CCN(S(C)(=O)=O)CC3)cc2C1 14326124 SIAUHAVRYVVHOZ-NSHDSACASA-N 399.538 1.306 50 40 GDGB O=C(NNC(=S)NCc1ccc2c(c1)OCO2)[C@H]1COc2ccccc2O1 7982713 LUABPGDGKHVZRM-MRXNPFEDSA-N 387.417 1.251 50 40 GDGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1cccnc1 4688491 WCWYWTCUHGXDIV-KEBDBYFISA-N 391.225 1.619 50 40 GDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(Br)ccc1O 16494915 SVLQBSVORYXQBR-AWEZNQCLSA-N 393.193 1.756 50 40 GDGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)c3cccs3)C(=O)NC2=S)cc1 408765500 XWWOLKCAXLRBFX-BEAUZRKQSA-N 386.458 1.836 50 40 GDGB Cn1ccnc1COc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 40119741 DBQOKVFDAOQARL-UHFFFAOYSA-N 395.375 1.982 50 40 GDGB COc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 6247116 WVFNJJYTAYHLMC-UHFFFAOYSA-N 390.392 1.804 50 40 GDGB Cc1cc(CC(=O)NNC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)[nH]n1 8746482 UARQBRWFBGWCSQ-UHFFFAOYSA-N 397.435 1.835 50 40 GDGB CC(=O)NNC(=O)CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 4567592 PLDPJRNRMZTHSK-NTUHNPAUSA-N 393.446 1.174 50 40 GDGB C[C@H](NC(=O)COCC(=O)NNC(=O)CCc1ccccc1)c1ccccc1 4696082 BUAJWZHUTLRCCG-INIZCTEOSA-N 383.448 1.661 50 40 GDGB CCn1nc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2c1=O 7379868 AAMGPPHQWIIQCH-UHFFFAOYSA-N 386.433 1.348 50 40 GDGB CC(=O)NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C 35288997 BMGRDKPXUQUQHV-UHFFFAOYSA-N 382.449 1.897 50 40 GDGB Cn1ncc2c(SCC(=O)NNC(=O)c3ccc(Cl)cc3)ncnc21 11678578 YRFQRGWVYJYPTR-UHFFFAOYSA-N 376.829 1.570 50 40 GDGB COc1c(O)ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c1[N+](=O)[O-] 59421148 VMPDBYYQMIJUPG-GIJQJNRQSA-N 397.351 1.113 50 40 GDGB Cc1n[nH]c2c1[C@@H](c1ccc(OCC(=O)N3CCOCC3)cc1)C(C#N)=C(N)O2 818693 XACLIRAWCCZKGT-SFHVURJKSA-N 395.419 1.174 50 40 GDGB O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@@H](O)CCl)CC1 25427143 CJHAAMVPMTULSJ-LBPRGKRZSA-N 397.722 1.355 50 40 GDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OC)cc2OC)c1C#N 1502003 RWJAYZFDNVULRO-LSHDLFTRSA-N 398.419 1.954 50 40 GDGB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=O)NCCCl 12580306 AYRXELYUNIROBT-UHFFFAOYSA-N 393.853 1.490 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=C2CCCCC2)cc1 16321334 SUVRKSCZIGWPKY-UHFFFAOYSA-N 380.470 1.702 50 40 GDGB Cc1ccccc1C(=O)N/N=C1\C(=O)N(CN2CCN(C)CC2)c2ccccc21 20134877 UMRJXXLPFFSJOL-ATJXCDBQSA-N 391.475 1.681 50 40 GDGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(CC(N)=O)c2ccccc21 4177946 MQZYNFMFBWBUFA-NRFANRHFSA-N 392.415 1.124 50 40 GDGB COc1ccccc1C(=O)NCC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C 18103470 SXCBBLIAXDYWEM-HNNXBMFYSA-N 399.447 1.657 50 40 GDGB Cn1nc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c2ccccc2c1=O 6509307 MVCYFMQFTUSTRA-KEBDBYFISA-N 380.360 1.161 50 40 GDGB COc1cc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc2c1OCO2 6621498 MERFWIICGLAQAY-QAPCUYQASA-N 389.415 1.779 50 40 GDGB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CCC(=O)N/N=C1/C(=O)Nc3ccccc31)C2=O 100854404 AZBHGPGUNOTXGL-LRTDBIEQSA-N 396.447 1.660 50 40 GDGB Cc1nc2ccccc2c(C)c1CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 12536583 RUPWPZHATOKAMQ-HNNXBMFYSA-N 375.494 1.886 50 40 GDGB CC(=O)NCCC(=O)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 9368557 NEFKKYZZFGHRKL-UHFFFAOYSA-N 377.404 1.584 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 5631228 AFQLZJQWKPZXEZ-FSJBWODESA-N 398.394 1.596 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 6430380 NFYYAVJHIUOMOF-YDZHTSKRSA-N 396.447 1.989 50 40 GDGB CC(=O)NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C 892149 PUISTYBFYAVNPQ-UHFFFAOYSA-N 384.259 1.504 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1 12814817 GUEXHZRXDZYBBK-UHFFFAOYSA-N 396.403 1.212 50 40 GDGB COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)N2CCOCC2)c1C 14019358 MKLULRDIQDBISY-IQFISFIMSA-N 389.452 1.449 50 40 GDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(O)c1 8993619 ONWSPBLCQNZONI-WPBJZHHJSA-N 387.417 1.084 50 40 GDGB C#CCOc1c(I)cc(/C=C(\C#N)C(N)=O)cc1OC 408882836 OIXJIZDOEHJCNS-BJMVGYQFSA-N 382.157 1.704 50 40 GDGB CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1ccc(OC)c(OC)c1 30058444 GRRQYLFCBRCJLQ-UHFFFAOYSA-N 392.433 1.572 50 40 GDGB CCc1ccc(OCC(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 32976218 FETUGGFVOWTXPZ-KBXCAEBGSA-N 377.466 1.229 50 40 GDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNc2nc(C)cc(C)n2)c1 22234282 BVJPIGIFFSNBFB-UHFFFAOYSA-N 377.470 1.881 50 40 GDGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CO)c1ccccc12 4736721 VAOJSOMQRGLGPU-OAQYLSRUSA-N 387.351 1.462 50 40 GDGB O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)COc1ccccc1F 15889807 UTQMKEWFVYIBJC-UHFFFAOYSA-N 384.367 1.221 50 40 GDGB COC(=O)N/N=C(\C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccccc1 17176533 NVGPURSIRSECPC-KETZHDHUSA-N 384.348 1.885 50 40 GDGB C[C@H]1CCCN(CC(=O)NNC(=O)COc2ccc(Br)cc2)C1 7060240 LAFRBLVULUXXDF-LBPRGKRZSA-N 384.274 1.707 50 40 GDGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 59433327 HTFMPDGNDZTBBD-KPSZGOFPSA-N 386.320 1.614 50 40 GDGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 19954706 ICVAQBXXVNJNAD-WOJGMQOQSA-N 390.421 1.820 50 40 GDGB CCc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3O)C2=O)cc1 4859836 SRQZERZNAKBNJX-RVDMUPIBSA-N 394.387 1.356 50 40 GDGB COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c(OC)c1 1957892 AHLNLWNFQPPAGW-WOJGMQOQSA-N 377.422 1.132 50 40 GDGB COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CCCC2=O 4517057 NETJXPAAHUQXCQ-HXUWFJFHSA-N 379.372 1.033 50 40 GDGB Cc1ccccc1C(=O)NNC(=O)CSc1nnnn1[C@@H]1C[C@H]2CC[C@H]1C2 103012728 VOCXIHABSFEGLC-KCQAQPDRSA-N 386.481 1.896 50 40 GDGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(O)cc2)cc1OC 58885179 DWMZMAHJSXGGEL-XKZIYDEJSA-N 385.420 1.609 50 40 GDGB O=C(COc1ccc2ccccc2c1)NNC(=O)C[C@H]1CCS(=O)(=O)C1 4392965 TWURHIYXQACHCS-CYBMUJFWSA-N 376.434 1.191 50 40 GDGB CCn1nc(C(=O)NNC(=O)CSc2ccncc2)c2ccccc2c1=O 40161101 MCRKKYXREVDBRX-UHFFFAOYSA-N 383.433 1.365 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1 6879476 BXPXXGUHRBRUFG-YDZHTSKRSA-N 396.447 1.989 50 40 GDGB CC(C)n1[nH]cc/c1=N\C(=O)[C@@H](C)SC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1 103408377 VHCAJIMRMBKHGQ-VRAFWLJHSA-N 386.481 1.977 50 40 GDGB CCCn1c(=O)n(CCC(=O)NNC(=O)c2ccccc2O)c2ccccc21 12983766 VOEVZFHCKGNFRY-UHFFFAOYSA-N 382.420 1.770 50 40 GDGB C/C(=N\NC(=O)c1ccco1)c1cc2c(cc1NC(=O)CCC(=O)O)OCO2 6317158 QJTPMRBWJWDGLN-KEBDBYFISA-N 387.348 1.966 50 40 GDGB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccco1 14250176 ACNOPIWHBHHUMS-CQSZACIVSA-N 399.856 1.697 50 40 GDGB CCn1nc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)c2ccccc2c1=O 6507636 LXEHZTJIJRRFQM-CIAFOILYSA-N 378.388 1.952 50 40 GDGB CCOC(=O)C1CCN(C(=O)CCC(=O)NNC(=O)c2ccccc2)CC1 4704300 YSQZDKPGWXVCFH-UHFFFAOYSA-N 375.425 1.030 50 40 GDGB CN(C)C(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)CC1 40144762 HRHUOWVUYQWFNA-UHFFFAOYSA-N 384.440 1.231 50 40 GDGB O=C(COc1cccc([N+](=O)[O-])c1)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 8386467 GCBXQHSQAPMNAB-UHFFFAOYSA-N 385.292 1.354 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 6497039 WFDJQHRRQKJKFW-SSDVNMTOSA-N 386.383 1.429 50 40 GDGB CN(C)N(C(=O)Cc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 57868526 SPBYJCYLDUVQRE-ZDUSSCGKSA-N 375.288 1.484 50 40 GDGB NNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 408893132 KTKDOOHRPRKNBR-UHFFFAOYSA-N 390.303 1.762 50 40 GDGB O=C(N/N=C/c1ccncc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408969354 MODJNPKHWHLSAR-FYJGNVAPSA-N 390.440 1.772 50 40 GDGB O=C([C@@H]1C[C@@H](Cl)CN1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 12616736 FXKAXBGZCPULAN-OCCSQVGLSA-N 393.292 1.569 50 40 GDGB COc1cccc(OC)c1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 3394991 RVBUUGAFTVBPAP-UHFFFAOYSA-N 392.795 1.975 50 40 GDGB CCn1nc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)c2ccccc2c1=O 12520706 ANMITXVTPRHWLA-UHFFFAOYSA-N 376.376 1.368 50 40 GDGB CCOC(=O)NC(=O)/C(C#N)=C/Nc1ccc(I)cn1 100219577 KLMVAYUQPBBXCT-SOFGYWHQSA-N 386.149 1.778 50 40 GDGB CCn1nc(C(=O)NNC(=O)COc2ccccc2C)c2ccccc2c1=O 3553186 AWZLCYZBVWXNTG-UHFFFAOYSA-N 380.404 1.565 50 40 GDGB COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 7784936 ZYJIILJOWJKPNW-LPYMAVHISA-N 385.420 1.521 50 40 GDGB CC(C)c1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N 1887415 CHQMGDXWTJSASS-REZTVBANSA-N 385.344 1.028 50 40 GDGB CC(C)CCN(C(=O)CCl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3337368 NCQBODLYYOFWAZ-UHFFFAOYSA-N 378.860 1.785 50 40 GDGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3ccc[nH]c3=O)cc2)cc1 12923000 LJWXCCHQCPJPHI-UHFFFAOYSA-N 388.383 1.754 50 40 GDGB COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 33842890 FSOPSYKAVNKZIS-UNOMPAQXSA-N 375.450 1.774 50 40 GDGB CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC)cc1 6963074 HERTUFXBAUJTPI-WSDLNYQXSA-N 398.419 1.299 50 40 GDGB O=C(COC(=O)C1(c2ccccc2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 7489543 ULCCIVQGKQCZPF-UHFFFAOYSA-N 383.360 1.631 50 40 GDGB CCS(=O)(=O)/N=C1/C=C(NNC(=O)c2ccccc2)C(=O)c2ccccc21 101027888 AQLOSKXFPHJCJF-JWGURIENSA-N 383.429 1.840 50 40 GDGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(F)c2)c2ccccc21 5624826 XCOMFPMMRKNUMO-MOHJPFBDSA-N 380.379 1.609 50 40 GDGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(O)c(O)c3)CC2)cc1 19826481 JEKYUBDLBAEOEP-LPYMAVHISA-N 382.464 1.674 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 58881481 POMLAVMXTGSGDK-RGVLZGJSSA-N 385.376 1.336 50 40 GDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 7428726 QQICUCBZMPWLLM-UHFFFAOYSA-N 392.389 1.215 50 40 GDGB O=C(CCC(=O)NNC(=O)c1ccc(-c2ccccc2)o1)NC[C@H]1CCCO1 8381691 LIQXHBODLRXUDX-OAHLLOKOSA-N 385.420 1.783 50 40 GDGB C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 4073948 ONMAQPPVCANFPB-URUZQALBSA-N 382.840 1.499 50 40 GDGB biogenic CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3O)CC2=O)cc1 10627193 CJFPWFPVAJTHNQ-ZDUSSCGKSA-N 383.404 1.605 50 40 GDGB CC(C)(C)OC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13004297 IYSXQRUKKQQVHS-NSHDSACASA-N 377.397 1.367 50 40 GDGB CC(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 14231715 JCNJDRJQWYGUCC-UHFFFAOYSA-N 389.477 1.972 50 40 GDGB COc1ccc(-n2nc(C(=O)N/N=C\c3ccco3)c(C)c(C#N)c2=O)cc1 218851383 MGALJLQUCPJQHR-NHDPSOOVSA-N 377.360 1.778 50 40 GDGB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1cccc(Cl)c1 101275207 MCRCFEWQYVPQEG-KBPBESRZSA-N 377.828 1.666 50 40 GDGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 31636960 ZQUUQVPOSAMAQO-XFQWXJFMSA-N 384.308 1.103 50 40 GDGB COc1ccc(NC(=O)CSc2nc(C)cc(CO)c2C(=O)NN)cc1 4727128 IIHIUPKKDARDCK-UHFFFAOYSA-N 376.438 1.225 50 40 GDGB O=C(CCN1C(=O)S/C(=C/c2ccccc2)C1=O)NNC(=O)c1ccncc1 1209653 JBENANXXNUYHFR-NTCAYCPXSA-N 396.428 1.969 50 40 GDGB Cc1ccnc2nc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)nn12 6537237 GHMYHVLYMKPFIY-UHFFFAOYSA-N 375.348 1.431 50 40 GDGB COc1cccc(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)c1 408768867 KPPBSCFQXXKCST-YBFXNURJSA-N 379.413 1.751 50 40 GDGB CN(C)C(=O)/C(C#N)=C\c1cc(I)c(O)c([N+](=O)[O-])c1 408852327 JPQMNPXUYJNRRE-BAQGIRSFSA-N 387.133 1.900 50 40 GDGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(OC)c(OC)c3)C2=O)cc1 18222677 LMOAKEOLODUEIE-HNNXBMFYSA-N 399.403 1.279 50 40 GDGB O=C(NNS(=O)(=O)c1c(F)cc(F)cc1Br)c1ccco1 9154672 NEDUMIIWLXLGQC-UHFFFAOYSA-N 381.154 1.944 50 40 GDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1O 5636635 PMISACJZGVZVNU-FYJGNVAPSA-N 383.404 1.394 50 40 GDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(F)cc1 408861349 CHPXZISANUCHGR-LPYMAVHISA-N 385.395 1.827 50 40 GDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccc(C)cc2)c2ccccc21 5024673 FGNRJHFOLHGPND-GFMRDNFCSA-N 394.431 1.377 50 40 GDGB COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C1\C(=O)N(C)c2ccccc21 6211777 FZZRNLYXXCRDGT-QJAKFAQWSA-N 392.415 1.322 50 40 GDGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(F)cc1 14022540 ZPQCSWCCUAITGS-UHFFFAOYSA-N 376.207 1.550 50 40 GDGB COc1cccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 4895506 XIRQXJPTUNGKPZ-UHFFFAOYSA-N 382.464 1.669 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 6497059 XZZKWHWXDBJDGK-WSDLNYQXSA-N 382.420 1.599 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2OC)cc1 58881692 XZKXFOIZZGIMIK-SRZZPIQSSA-N 399.403 1.644 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1cccc([N+](=O)[O-])c1 409028094 JYUQWRSVUKPDBY-LICLKQGHSA-N 392.393 1.217 50 40 GDGB O=C1Nc2ccc(I)cc2/C1=N/NC(=O)c1ccncc1 6473331 MDJFLVZXGRYJGS-UHFFFAOYSA-N 392.156 1.772 50 40 GDGB COc1ccccc1/C=N/NC(=O)CN(c1ccccc1C)S(C)(=O)=O 19954631 ASQSJNRKONQMAR-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB N#Cc1ccc2c(C(=O)NN)nn(-c3ccc(Br)cc3)c(=O)c2c1N 5338139 AUXZUKWEPGREJD-UHFFFAOYSA-N 399.208 1.206 50 40 GDGB Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1 17050896 WKGAHRQVFGIOTF-UHFFFAOYSA-N 396.856 1.780 50 40 GDGB Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC(C)C 8571374 ZLXLAEZDCJBTLV-WSDLNYQXSA-N 396.447 1.987 50 40 GDGB Cc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(C)c1 7384532 IXPCDDCMSSHUDX-UHFFFAOYSA-N 396.494 1.220 50 40 GDGB CC(C)n1cnnc1SCC(=O)NNC(=O)COc1ccc(Cl)cc1 5416924 LCZICSYOQCEBCS-UHFFFAOYSA-N 383.861 1.831 50 40 GDGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)c1 7907470 IDDVHUFCDJWQBW-UHFFFAOYSA-N 389.433 1.819 50 40 GDGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 5163417 YFOABSKWVXRTCI-HMMYKYKNSA-N 387.461 1.862 50 40 GDGB Cc1cc(C)nc(SCC(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)n1 33417908 BMWHWTIQVPAVDZ-FMQZQXMHSA-N 389.393 1.973 50 40 GDGB COc1cccc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)c1OC(C)=O 9281762 WQSWCGWNEZLEBS-CAOOACKPSA-N 375.341 1.184 50 40 GDGB COc1ccc(/C=N/NC(N)=O)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408887369 QEMOJURIBYDPTI-RQZCQDPDSA-N 394.365 1.373 50 40 GDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)ccc1O 408727035 WZUPNYPFHMXCCZ-RGVLZGJSSA-N 387.392 1.897 50 40 GDGB Cc1cc(NC(=O)C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)no1 40143573 JQBGNKYSFPPFGT-UHFFFAOYSA-N 381.392 1.790 50 40 GDGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)C(=O)Nc1cnccn1 5287991 HDAZWVVTOJRQNK-DHRITJCHSA-N 394.435 1.815 50 40 GDGB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)NNC(=O)c3ccccc3)ccc21 7837340 YWRZRFYLKKSGDG-LBPRGKRZSA-N 381.392 1.458 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 12815596 WQWUXMITHICBNG-HZPDHXFCSA-N 387.436 1.412 50 40 GDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(OC)c2)c2ccccc21 5739115 CAAPLFPQLWRQMV-CLCOLTQESA-N 394.431 1.702 50 40 GDGB CCCn1nc(C(=O)NNC(=O)c2n[nH]c3ccccc23)c2ccccc2c1=O 6929930 HIPRTXURJFPOOS-UHFFFAOYSA-N 390.403 1.758 50 40 GDGB Cc1c(C(=O)NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)sc(N)c1C#N 408729527 GHQAVHBZZQDKAM-UHFFFAOYSA-N 390.337 1.796 50 40 GDGB CO[C@@H]1[C@H](C2C(C#N)=C(N)SC(N)=C2C#N)O[C@H]2OC3(CCCCC3)O[C@@H]21 35937919 VQNWGPRGHHAATM-CFAJVAMVSA-N 390.465 1.553 50 40 GDGB O=C(C[C@H]1NC(Cc2ccccc2)=NNC1=O)N/N=C/c1ccc([N+](=O)[O-])cc1 17138097 GCBAOYXQHLMONL-DDLUMYACSA-N 394.391 1.079 50 40 GDGB COc1ccc(CC(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)cc1 16839287 GQAWXIZQQRIGIY-UHFFFAOYSA-N 391.427 1.909 50 40 GDGB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1ccccc1O 7988815 LYOYARYKHZLLCP-QGZVFWFLSA-N 380.404 1.382 50 40 GDGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)COc3ccccc3C#N)CC2=O)cc1 28787469 WSIPKUXWWQQFOS-MRXNPFEDSA-N 392.415 1.446 50 40 GDGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1csc(N2CCOCC2)n1 9885464 AXYTUFVPUULEAY-UHFFFAOYSA-N 399.476 1.855 50 40 GDGB C[C@@]1(C(=O)NNC(=O)c2cccc3ncccc23)Oc2ccccc2NC1=O 1144840327 MZPAHLKRKFHPEF-HXUWFJFHSA-N 376.372 1.786 50 40 GDGB C[C@]1(C(=O)NNC(=O)c2cccc3ncccc23)Oc2ccccc2NC1=O 1144840326 MZPAHLKRKFHPEF-FQEVSTJZSA-N 376.372 1.786 50 40 GDGB CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC)c2)cc1 8086139 XWTOSXFFKYJESS-WSDLNYQXSA-N 382.420 1.463 50 40 GDGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 6591469 PJICLZBEYVBXMT-KERMGTKBSA-N 378.388 1.967 50 40 GDGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1cccc(O)c1 9422424 FBTGPIFNAQSXLZ-AQTBWJFISA-N 382.420 1.229 50 40 GDGB CN(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1 6544472 UQSPDBDZUNJUEM-DJKKODMXSA-N 393.396 1.325 50 40 GDGB O=C(NNC(=O)C1CC1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 8156582 JSSKMDBBOWRZRM-UHFFFAOYSA-N 389.433 1.042 50 40 GDGB COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O1 808910 BIGDOHCORBQBOV-OAHLLOKOSA-N 386.360 1.271 50 40 GDGB C[C@H](O)[C@H](O)CC(/C=N\NC(=O)c1ccccc1)=N/NC(=O)c1ccccc1 104132169 BSCXYPMFDMSTPM-AIDDYKPSSA-N 382.420 1.320 50 40 GDGB CCN1C(=O)/C(=N\NC(=O)CCCCC[C@H]2CCNC(=O)N2)c2ccccc21 101657097 JADHWCIFFGGPMB-BJTZIBPKSA-N 385.468 1.895 50 40 GDGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)c2ccc(=O)n(CCOC)n2)cc1 49574647 ACOXSAADTBEKMH-QINSGFPZSA-N 396.403 1.612 50 40 GDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 409257075 NWHDOXNQBMLFQO-UFFVCSGVSA-N 391.811 1.829 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 5631230 HIEFADGQTYVVBZ-LPYMAVHISA-N 380.404 1.456 50 40 GDGB O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1cccs1 1345910 JZZXFTNYUWZMQA-ZDUSSCGKSA-N 393.490 1.610 50 40 GDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1cccs1 6508932 JIRLNUUJEFUVAL-NSHDSACASA-N 387.417 1.333 50 40 GDGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 408616027 UXLHVHPFMSRGBF-CQSZACIVSA-N 382.376 1.717 50 40 GDGB Cc1ccn(CC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)n1 38178019 HFTHGWYIPBGURX-GIDUJCDVSA-N 382.174 1.718 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 6497019 RQLMYDBKFNYQJM-FSJBWODESA-N 396.447 1.907 50 40 GDGB Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 105551301 AGONPSSPKGOPJJ-UHFFFAOYSA-N 389.280 1.794 50 40 GDGB C/C(NNC(=O)c1ccccc1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 9330116 FRRCXZLVHYOEJT-DTQAZKPQSA-N 378.388 1.474 50 40 GDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2/N=C(N)c3ccccc32)c1 12599537 DONRRHVRHIHDNU-UHFFFAOYSA-N 399.476 1.528 50 40 GDGB Cc1ccc(NC(=O)/C(=N\NC(N)=O)c2c(O)[nH]c3ccccc3c2=O)cc1 17216609 UUYXPKKUOPYIBX-HAHDFKILSA-N 379.376 1.553 50 40 GDGB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1C 3433365 UABVRCOTPPLLKB-UHFFFAOYSA-N 393.421 1.488 50 40 GDGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)cc1 6507562 MLAWEYFWMGEJGE-UHFFFAOYSA-N 383.429 1.956 50 40 GDGB CC1CCN(C(=O)C(=O)N/N=C/c2cc3c(cc2Br)OCO3)CC1 3082636 USTGFFICKIWPED-QGMBQPNBSA-N 396.241 1.886 50 40 GDGB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Oc1ccc([N+](=O)[O-])cc1 4303745 ZYQSWUFUVGIGTA-JAAXMTQOSA-N 395.364 1.897 50 40 GDGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc([N+](=O)[O-])c1O 20086782 MEUAOMNEBYELNP-CQSZACIVSA-N 384.348 1.534 50 40 GDGB Cc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O 8039651 BXSDNUAEEAFQTO-MRXNPFEDSA-N 395.415 1.352 50 40 GDGB CCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(C)oc2C)c1 12864467 ROCVNGHANDEPNN-UHFFFAOYSA-N 379.438 1.660 50 40 GDGB C=CCN1C(=O)/C(=N/NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c2ccccc21 18192139 UAXQLRHELNZJOK-DOIQJHKGSA-N 388.427 1.569 50 40 GDGB CCOc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)cc1 7131590 BCWDKKVNEKDYCF-UHFFFAOYSA-N 386.433 1.894 50 40 GDGB CC(C)Oc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1 9463950 XKUCSMUQBQFXAI-AWQFTUOYSA-N 398.427 1.907 50 40 GDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cncn1-c1ccc(F)cc1 15663418 KLPDVTFOJYTNGS-QGZVFWFLSA-N 382.351 1.612 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)cc1 20060345 JAEWHOHLXIENER-WOJGMQOQSA-N 377.422 1.317 50 40 GDGB Cc1ccc(C(=O)NNC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)cc1 14200268 ZMECOXKLHDWXHB-OAHLLOKOSA-N 395.506 1.821 50 40 GDGB O=C(COc1ccccc1)NCC(=O)NNC(=O)c1ccccc1-n1cccc1 5423198 KJJKSJZWIBZTTN-UHFFFAOYSA-N 392.415 1.434 50 40 GDGB CC(=O)c1cccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 9364076 VSMUVNDSMHKUKP-AWEZNQCLSA-N 381.388 1.755 50 40 GDGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408966873 OQLUWBIKQHPGEO-WSDLNYQXSA-N 397.460 1.900 50 40 GDGB Cc1cccc(OCC(=O)NNC(=O)CCCn2nnc(-c3ccccc3)n2)c1 58156483 KQEAPWCBBQPGEZ-UHFFFAOYSA-N 394.435 1.655 50 40 GDGB CC(C)[C@@H](NC(N)=O)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl 27774433 NXOZQWGIWDIRNX-GFCCVEGCSA-N 393.296 1.926 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 408908178 UPJWXXYPMQTCAO-XDHOZWIPSA-N 391.449 1.620 50 40 GDGB O=C1Oc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)O)[C@H]12 9973341 XIPVJQCDBDFGPS-QXFUBDJGSA-N 380.359 1.571 50 40 GDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccco1 8404981 MNKPPPQRDMQANZ-VXLYETTFSA-N 378.352 1.647 50 40 GDGB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3cc(C)oc3C)C2=O)cc1 12853037 FMVGUAYEAQCCFA-FQEVSTJZSA-N 398.419 1.433 50 40 GDGB C[C@@H]1CCc2sc(C(=O)NNC(=O)C3CCN(S(C)(=O)=O)CC3)cc2C1 14326123 SIAUHAVRYVVHOZ-LLVKDONJSA-N 399.538 1.306 50 40 GDGB C/C(=N\NC(=O)C[C@H]1NC(Cc2ccccc2)=NNC1=O)c1ccc(C)cc1 4765361 UVEHUTYZRFYRBL-MMTNMYCKSA-N 377.448 1.870 50 40 GDGB COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1O 409361523 HMEYDYDFUOMEHW-GRSHGNNSSA-N 387.348 1.773 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 226862491 KYLDSHIQTRJBSQ-UHFFFAOYSA-N 384.301 1.265 50 40 GDGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CN3CCOCC3)c2C)cc1 59246460 JKPUPMXNFHVYDP-LPYMAVHISA-N 398.463 1.663 50 40 GDGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 6333566 NIPKTTVLBKMOKJ-UHFFFAOYSA-N 380.404 1.390 50 40 GDGB CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2OC)C1 40059806 OZBLFMJQHPRNRI-NSHDSACASA-N 383.832 1.978 50 40 GDGB COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c(OC)c1 3386499 HHOZZHYBRINBAY-UHFFFAOYSA-N 392.795 1.975 50 40 GDGB CSCC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 22698872 YNZDXBSTTVNZLN-UHFFFAOYSA-N 385.492 1.673 50 40 GDGB COc1cc(C(=O)NNC(=S)NC(=O)c2ccco2)cc(OC)c1OC 2213250 XWEKYYPCCWHAAE-UHFFFAOYSA-N 379.394 1.255 50 40 GDGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(OCC(N)=O)c2)[C@H]2CSCC=C12 2324561 RFPHFWVNZLUATP-WMZOPIPTSA-N 391.456 1.707 50 40 GDGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(N)=O 409203827 ZBTQQENRFDBOGA-JMIUGGIZSA-N 386.364 1.622 50 40 GDGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)CN3CCOCC3)o2)cc1 83262864 IZICYXUJAIYSDF-BKUYFWCQSA-N 385.420 1.906 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 6867513 CAPBWSINNXVYGE-YDZHTSKRSA-N 394.431 1.765 50 40 GDGB CCCCn1c(=O)c(CCC(=O)OCC(=O)/C(C#N)=C(/C)N)nc2ccccc21 104393032 CJPKEIQOKFBCSK-PFONDFGASA-N 396.447 1.998 50 40 GDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(OC)cc2)cc1 3285256 HCOHLJCJRGTUOL-UHFFFAOYSA-N 378.406 1.495 50 40 GDGB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 26774221 JBMCYEQRXAUWBK-PXAZEXFGSA-N 385.468 1.938 50 40 GDGB Cc1occc1C(=O)NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 101076850 ZYWMXINXYPIYMO-ZDUSSCGKSA-N 392.209 1.917 50 40 GDGB COCCCNC(=O)/C(C#N)=C/c1c(N2CCCCC2)nc2ccccn2c1=O 2203013 YUDRPBQKCGXAAY-JQIJEIRASA-N 395.463 1.744 50 40 GDGB CCn1cc(C(=O)NNC(=O)c2ccc(OC)cc2)c(=O)c2ccc(C)nc21 3352351 RMCQGFYAGCQXMZ-UHFFFAOYSA-N 380.404 1.808 50 40 GDGB O=C(Cc1ccccc1)NCCC(=O)NNC(=O)c1cc(Cl)ccc1O 12735261 JXDULHGSHQQOLS-UHFFFAOYSA-N 375.812 1.556 50 40 GDGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccc(Br)cc2)n1 12852099 GCRUGFZGAVINDQ-UHFFFAOYSA-N 387.259 1.272 50 40 GDGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)c(OC)c1 4499488 KVRJIFVJXMPSGP-RGVLZGJSSA-N 387.392 1.810 50 40 GDGB O=C(NN/C=C1\C(=O)N(C2CCCCC2)C(=S)N=C1O)c1ccccc1O 2590790 CMOJFCJULDLNOC-RAXLEYEMSA-N 388.449 1.927 50 40 GDGB O=C1OC(=O)[C@@H]2C=C(c3ccccc3)[C@@H]3[C@@H]([C@H]12)[C@@H]1C=C[C@@H]3[C@H]2C(=O)OC(=O)[C@H]12 104081621 XIASFWIVHIGEDQ-PMDNRTFHSA-N 376.364 1.763 50 40 GDGB CCn1c(NNC(=O)Cc2ccc3c(c2)OCCO3)nc2ccccc2c1=O 10680532 LGSFWMVRUMFTAI-UHFFFAOYSA-N 380.404 1.873 50 40 GDGB COC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 6007848 OWXPWYMVAJJKRT-UHFFFAOYSA-N 385.348 1.766 50 40 GDGB COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408680077 CYYJSQOLGSVWSV-UQPQVDFHSA-N 394.221 1.983 50 40 GDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1cccnc1 8404718 QHKUIWCDPRHNPD-SRZZPIQSSA-N 389.379 1.449 50 40 GDGB O=C(CN1CCN(c2ccccc2O)CC1)NNC(=O)c1ccc(Cl)cc1 35301150 YMASZOQPKVSAHG-UHFFFAOYSA-N 388.855 1.629 50 40 GDGB Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c1 28659744 MCYNEYDEYFTREM-MRXNPFEDSA-N 399.447 1.975 50 40 GDGB CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCl 8183740 HSNBGUCOZMOIJV-UHFFFAOYSA-N 376.862 1.672 50 40 GDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1 6890161 JZVNRJGIHYJVRI-LICLKQGHSA-N 396.266 1.878 50 40 GDGB C[C@@H]1CCCN(CC(=O)NNC(=O)COc2ccc(Br)cc2)C1 7060235 LAFRBLVULUXXDF-GFCCVEGCSA-N 384.274 1.707 50 40 GDGB O=C(CN1CCOCC1)N/N=C/c1cc(Br)c(N2CCCC2)o1 59249320 JATWZRZLMAUIHE-LICLKQGHSA-N 385.262 1.425 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c1 20210140 MNBWNVQJHAOJLU-XDHOZWIPSA-N 391.449 1.620 50 40 GDGB COc1cccc(/C=C2\SC(=S)N(CCC(=O)NNC(C)=O)C2=O)c1 1248112 BYVQKGXETLEOSC-LCYFTJDESA-N 379.463 1.454 50 40 GDGB CC(C)N1C(=O)/C(=N\NC(=O)c2ccccc2S(N)(=O)=O)c2ccccc21 102238845 FPAXJDGYZNDNKU-SILNSSARSA-N 386.433 1.223 50 40 GDGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccco2)S(C)(=O)=O)cc1 4363609 KTCJFNHTGMSHAH-HTMJNSLASA-N 379.438 1.983 50 40 GDGB O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1cccc(N2CCCC2=O)c1 21904195 GPZGEXJMRHEFDB-UHFFFAOYSA-N 381.388 1.659 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2O)cc1C 16282969 JSXXVLDXGMROAN-ODLFYWEKSA-N 391.449 1.480 50 40 GDGB O=C(CSCC(=O)N/N=C/c1ccccc1O)N/N=C\c1ccccc1O 4464072 BJXHONRYWGYJOW-KFSYKRRRSA-N 386.433 1.431 50 40 GDGB Cc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)cc1 100117106 FHHQJVPZGAFUON-OAHLLOKOSA-N 381.388 1.333 50 40 GDGB O=C(S[C@@H]1CS(=O)(=O)C[C@@H]1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3066155 KADSCQQMQWILPO-VHSXEESVSA-N 380.787 1.781 50 40 GDGB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NNC(=O)c1ccccc1O 12978871 ZUIWXHGZJRLPOO-UHFFFAOYSA-N 394.383 1.827 50 40 GDGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1OCC(N)=O 6781478 GVCWPWCGGSSAOF-HNNXBMFYSA-N 397.435 1.798 50 40 GDGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(OC)c(OC)c2OC)c1 211709382 SMQQEDAJMKGWCR-JAIQZWGSSA-N 387.392 1.810 50 40 GDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1C 102676051 ZKBHRXMZNGUYPH-DWKHYPNZSA-N 385.445 1.687 50 40 GDGB CCOC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@H](C)C2)nc2ccccn2c1=O 17921408 PLZXBCNWZIKTSC-VFZVMDJNSA-N 382.420 1.778 50 40 GDGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)o1 1957144 UKNKEGYIDYLOHW-DJKKODMXSA-N 378.352 1.565 50 40 GDGB CCOc1cccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1O 106067145 CMPPFYBEDWDWCG-UNOMPAQXSA-N 397.497 1.835 50 40 GDGB COc1cc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc(OC)c1OC 2387332 BKEGHNGKBQITNQ-UHFFFAOYSA-N 390.421 1.057 50 40 GDGB CCn1nc(C(=O)NNC(=O)[C@H]2COc3ccccc3C2)c2ccccc2c1=O 12733727 DTXYZVHSRGBLSI-CQSZACIVSA-N 392.415 1.429 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)c1ccccc1F 16248260 OLZIPIDLAFRDCJ-UHFFFAOYSA-N 390.396 1.064 50 40 GDGB CCCn1nc(C(=O)NNC(=O)c2c(CC)noc2C)c2ccccc2c1=O 8192008 PYPSNGJVJKABFP-UHFFFAOYSA-N 383.408 1.740 50 40 GDGB COc1cccc(N2C(=O)/C(=C\NNC(=O)c3ccncc3)C(O)=NC2=S)c1 38170357 BLDFDBGJJYVYRP-UVTDQMKNSA-N 397.416 1.497 50 40 GDGB CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1cc(OC)cc(OC)c1 4079654 UDXYOPJLRCNODI-WSDLNYQXSA-N 385.420 1.983 50 40 GDGB CCCCOC(=O)c1ccc(N/N=C2/C(=O)N(CCO)C(=O)C(C#N)=C2C)cc1 18037874 LTGFJSODIFYKPT-HAVVHWLPSA-N 398.419 1.613 50 40 GDGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(CC(=O)O)c2ccccc21 16741421 YZVVBAQSSORACE-NRFANRHFSA-N 393.399 1.723 50 40 GDGB CCCc1c(C(=O)N/N=C/c2ccc(N(C)C)cc2)nnn1-c1nonc1N 9308981 NFGQDGSUANMWER-VXLYETTFSA-N 383.416 1.015 50 40 GDGB Nc1nonc1-n1nnc(C(=O)NN=C2CCCCC2)c1CN1CCCCC1 13425191 MFOIKDJLLKHFBI-UHFFFAOYSA-N 387.448 1.268 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)c(OC)c1 20210800 CCSXWWRCHXPQGP-LICLKQGHSA-N 397.478 1.682 50 40 GDGB Cc1c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cccc1[N+](=O)[O-] 12803631 SFCSLMCAPBEOII-UHFFFAOYSA-N 391.409 1.271 50 40 GDGB CCNC(=O)/C(C#N)=C/c1c(N2C[C@@H](C)O[C@H](C)C2)nc2ccccn2c1=O 5023706 OKNLSSREDKFVFW-OMZQKGCKSA-N 381.436 1.351 50 40 GDGB Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)s1 24060549 GYFFCICTAZGESU-UHFFFAOYSA-N 381.479 1.690 50 40 GDGB CCS(=O)(=O)[C@@H](I)C(=O)c1cccc([N+](=O)[O-])c1 96517956 UVJGVCSOSLXOBX-SNVBAGLBSA-N 383.163 1.973 50 40 GDGB CN(C)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 6319869 ITJFAEYCXZTWNP-UDWIEESQSA-N 392.456 1.663 50 40 GDGB Cc1cccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3O)C2=O)c1 4860448 JSRXAPQTXWRCRW-GXDHUFHOSA-N 380.360 1.102 50 40 GDGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN)cc1Cl 33524558 LIDHKOYJFMSFOB-UHFFFAOYSA-N 397.884 1.572 50 40 GDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 52411129 UDGFVPMEZDIEGC-ZDUSSCGKSA-N 398.375 1.418 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccc2c(c1)OCO2)C1CCCCC1 108189250 QXRDEETZQAOURM-ZDLGFXPLSA-N 381.454 1.460 50 40 GDGB Cc1cc(C(=O)NNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C)o1 9316928 DZMBAXXMQKZYOX-MGNBDDOMSA-N 376.413 1.158 50 40 GDGB N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2)c2ccccc21 6103890 IJWNIHCBQACVCL-MOHJPFBDSA-N 375.388 1.197 50 40 GDGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 17329618 IQVWURIJXZEHGD-OAHLLOKOSA-N 396.403 1.971 50 40 GDGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cn(Cc2ccccc2)nn1 1775973636 WEJDXFBSHJXEHB-OAHLLOKOSA-N 375.816 1.736 50 40 GDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccccc1 6537852 VIPJRKNYCJAOCG-WSDLNYQXSA-N 398.419 1.299 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc2c(c1)OCCO2 12944332 RQLUQSSJWUTTOL-UHFFFAOYSA-N 386.788 1.874 50 40 GDGB COc1ccccc1/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1C(C)C 9190682 QRIIRVDZIUDRLO-VXLYETTFSA-N 384.400 1.519 50 40 GDGB CC(C)C(=O)NNC(=O)CN1CCN(c2nc(-c3ccccc3)cs2)CC1 36235004 MTWSNAUNYRGYIB-UHFFFAOYSA-N 387.509 1.736 50 40 GDGB O=C(NCCO)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 5580283 JEJWTJCIHVCNLS-UHFFFAOYSA-N 395.199 1.509 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 6646035 IQCXRRNXONGLLC-CIAFOILYSA-N 382.376 1.926 50 40 GDGB O=C(S[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3066154 KADSCQQMQWILPO-UWVGGRQHSA-N 380.787 1.781 50 40 GDGB CN(CC(=O)NNC(=O)CSc1cccc2cccnc12)C(=O)c1ccco1 12737464 AIOFYCVOHBJEHQ-UHFFFAOYSA-N 398.444 1.840 50 40 GDGB CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)N2CCOCC2)c(OCC)c1 409013003 LWXCXQZUJNUOQV-WJDWOHSUSA-N 388.420 1.793 50 40 GDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cn(Cc2ccccc2)nn1 40047212 NPLWGIXCLIMTKS-ZDUSSCGKSA-N 383.383 1.694 50 40 GDGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1nn(-c2ccccc2)c2c1CCC2 22617663 BXCGVNDYAJTUDC-AWEZNQCLSA-N 385.493 1.649 50 40 GDGB O=C(NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1)Nc1ccccc1 842935 OMPHSAUIONWUKW-UHFFFAOYSA-N 399.455 1.298 50 40 GDGB Cn1c(N)c(/N=C\c2ccc(N(CCCl)CCCl)cc2)c(=O)n(C)c1=O 104106092 QGDFGZJQUPYAMX-NHDPSOOVSA-N 398.294 1.701 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 12910521 HHPNZZHOYREOFA-UHFFFAOYSA-N 382.376 1.405 50 40 GDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(C)sc2C)cc1 14185861 DBYAFLMGFCYVMT-UHFFFAOYSA-N 395.506 1.755 50 40 GDGB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NNC(=O)c1c[nH]c2ccccc12 17523935 ZASMGMKCMURHQF-UHFFFAOYSA-N 377.404 1.739 50 40 GDGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 408719123 JMMZBRTYHUCENK-YBFXNURJSA-N 394.395 1.465 50 40 GDGB CN(c1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1)S(C)(=O)=O 409111180 BKUJJENKGOLXEQ-WOJGMQOQSA-N 375.406 1.545 50 40 GDGB O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)Cc1c[nH]c2ccccc12 17819159 ULLDDZCFUMGHRC-UHFFFAOYSA-N 389.415 1.727 50 40 GDGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)c1 20060327 PIXOWXCFUZCQJZ-YBFXNURJSA-N 389.433 1.610 50 40 GDGB COc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc1 12742182 MVFNTDNBPVKFCF-CYBMUJFWSA-N 383.404 1.660 50 40 GDGB CC(=O)Nc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 12802836 AIMHTPWBOVBBSV-UHFFFAOYSA-N 389.437 1.013 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)c([N+](=O)[O-])c1 23392474 MWWYOZQBFNGORC-UHFFFAOYSA-N 397.434 1.777 50 40 GDGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)CCc2ccccc2)c2ccccc21 5826284 WRGISBLIYZPAML-DAFNUICNSA-N 388.427 1.236 50 40 GDGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Br)c1O 409262383 IGLWDKYWSJMENO-PCYPHTAMSA-N 386.246 1.918 50 40 GDGB Cc1ccc(C(=O)NNC(=O)CCC(=O)NNC(=O)c2ccc(C)cc2)cc1 2132147 DQQMSTQWUXDMFK-UHFFFAOYSA-N 382.420 1.306 50 40 GDGB O=C(Cc1ccccc1F)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 7757832 XWHZXTDMZHGBHE-UHFFFAOYSA-N 380.379 1.486 50 40 GDGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 408788279 DNOVTHSISGQODJ-UDWIEESQSA-N 392.456 1.808 50 40 GDGB CCn1c(NNC(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc2c1=O 11159568 JWUCNOMOVBHARN-UHFFFAOYSA-N 379.376 1.504 50 40 GDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1 38204835 FUYFWWQQCIBVCG-WQRHYEAKSA-N 390.421 1.674 50 40 GDGB O=C(/C=C/c1ccc(OC(F)F)cc1)NNC(=O)C[C@H]1CCS(=O)(=O)C1 32772456 LNTLOSVZHQVZOE-MJRJWQSSSA-N 388.392 1.273 50 40 GDGB O=C(CN1CCCCC1)NN[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 35682662 UZMJJFRAOSRSQK-MRXNPFEDSA-N 389.500 1.136 50 40 GDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(O)cc2)CC1 5798519 ODDISXQAZSGXND-KGENOOAVSA-N 382.420 1.200 50 40 GDGB CN(C)NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 7386532 JRSRRSXHJMCIGA-UHFFFAOYSA-N 396.494 1.457 50 40 GDGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccc(F)cc3)C(=O)NC2=S)cc1 408763420 OEZSTKUJZUMNID-UNUHRMFVSA-N 398.419 1.914 50 40 GDGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(OC)c(O)c([N+](=O)[O-])c1 409264794 QJFADTMPEZMUFE-CAOOACKPSA-N 390.308 1.990 50 40 GDGB COc1ccc(-c2ccc(/C=N/NC(=O)CN3CCOCC3)o2)c([N+](=O)[O-])c1 408735182 LFJYMKBRFZMYMI-YBFXNURJSA-N 388.380 1.646 50 40 GDGB C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)COc1ccccc1Cl)CS2 32971057 PXRNJCDCDNOKQT-ZBEGNZNMSA-N 383.857 1.320 50 40 GDGB Cc1ccc(C)c(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)c1 4680398 DARABAUOZCZCIM-UHFFFAOYSA-N 383.448 1.926 50 40 GDGB CCCCC(=O)NN/C=C1\C(=O)NC(=S)N(c2ccc(OCC)cc2)C1=O 9348792 AOGOIMJZNUFPTE-SDNWHVSQSA-N 390.465 1.528 50 40 GDGB O=C(NN/C=C1\C(=O)N(c2ccccc2F)C(=S)N=C1O)c1ccncc1 34236349 WMLPEZGBWJZLQU-LUAWRHEFSA-N 385.380 1.627 50 40 GDGB C=CCn1c(=O)n(CC=C)c(=O)n(C[P@](=O)(CCl)c2ccccc2)c1=O 4600380 UAHIZHGIBAKANQ-AREMUKBSSA-N 395.783 1.386 50 40 GDGB COc1c(/C=N/NC(=O)c2ccncc2)c(CCN(C)C(C)=O)cc2c1OCO2 5574894 ROURMTRRAXXYBB-SSDVNMTOSA-N 398.419 1.604 50 40 GDGB COc1ccccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1 8433763 ZRLFWLZEECWSJN-UHFFFAOYSA-N 399.403 1.418 50 40 GDGB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)c1ccccc1 32998178 NFJNBXRRWWUSSN-KRWDZBQOSA-N 387.461 1.224 50 40 GDGB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(CCC(=O)N/N=C1/C(=O)Nc3ccccc31)C2=O 100854410 AZBHGPGUNOTXGL-ZSEKCTLFSA-N 396.447 1.660 50 40 GDGB CCOc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 6539537 NFFAVWBMZRYEAZ-UDWIEESQSA-N 393.440 1.995 50 40 GDGB NNC(=O)c1nnc2sc(-c3cccc(I)c3)nn12 57338964 QNMVBMONDFMKGE-UHFFFAOYSA-N 386.178 1.061 50 40 GDGB COc1cccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 39986598 XYVBLKMPNJDDER-UNOMPAQXSA-N 375.450 1.774 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1)c1cccc([N+](=O)[O-])c1 409027350 AVHVZWNKRKYPHE-GZTJUZNOSA-N 376.394 1.511 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1F 408779362 VLJCATAZPXPNII-VCHYOVAHSA-N 394.384 1.650 50 40 GDGB C/C(=N/NC(N)=O)c1sc(-c2nc(C)c(/C(C)=N\NC(N)=O)s2)nc1C 17211823 FLFKFFCPMYWUAY-DWVBSFERSA-N 394.486 1.668 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(F)c2)cc1 6544490 UGSSDRGUULNFMT-YBFXNURJSA-N 379.413 1.605 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccco2)cc1OC 6545002 NCRXTGNBEHMFED-LICLKQGHSA-N 381.410 1.068 50 40 GDGB CCCn1nc(C(=O)NNC(=O)c2csc3cncn23)c2ccccc2c1=O 72284157 NBPIHCMKGHVXNF-UHFFFAOYSA-N 396.432 1.591 50 40 GDGB CCOc1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccncc3)C2=O)cc1 34236706 DACTWVOJSOCKQL-PTNGSMBKSA-N 395.375 1.722 50 40 GDGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)cc(Br)c1O 3081735 HJPLZHGSNNQJJJ-CNHKJKLMSA-N 396.197 1.636 50 40 GDGB CCC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(OC)cc2)cc1 3517921 JXWVIMYOWUFEHG-UHFFFAOYSA-N 386.404 1.893 50 40 GDGB COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)c1 7379529 XLLWEIRLHWCRNJ-UHFFFAOYSA-N 376.434 1.816 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(F)c2)cc1C 33627942 SPRGORZSEDZDNI-JAIQZWGSSA-N 393.440 1.914 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc(C)c1Cl 17081175 UULQGIJJFWZALO-MXYBEHONSA-N 396.827 1.361 50 40 GDGB O=c1c(S(=O)(=O)c2ccccc2)cnc2n1C[C@H](CBr)S2 28405466 LTRRAYHISQUBAI-VIFPVBQESA-N 387.280 1.945 50 40 GDGB CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O 4474723 NNXRWUXXFDXFQC-GBUWSYLDSA-N 381.454 1.288 50 40 GDGB CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc21)c1cccc(F)c1 409127017 OURKBZLTYWWYDD-UHFFFAOYSA-N 390.396 1.064 50 40 GDGB O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccco1 100572022 VDFHCOQNGZGGDU-NSHDSACASA-N 378.182 1.609 50 40 GDGB O=C(CSc1nnc(-c2ccncc2)o1)NN[C@H](O)C(Cl)(Cl)Cl 6244385 WJXPJACMOSJCEI-SECBINFHSA-N 398.659 1.533 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 7385002 FUGOOYVMGNDINQ-LLVKDONJSA-N 395.412 1.561 50 40 GDGB O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc(O)cc1O 5944988 KJWNUQAPSPCDLV-UHFFFAOYSA-N 381.182 1.700 50 40 GDGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 19954092 JFSKWTPYLGQGOD-XDHOZWIPSA-N 389.433 1.390 50 40 GDGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 20213638 ZRWVZZGDWAXWQF-LPYMAVHISA-N 395.444 1.822 50 40 GDGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 59960173 SHJCLRLXPYSYNY-ZVBGSRNCSA-N 388.811 1.601 50 40 GDGB O=C(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1[N+](=O)[O-] 2329937 AVKDFMQWWRIFMU-XOBNHNQQSA-N 398.335 1.494 50 40 GDGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cc(F)cc(F)c1 8762887 WCJAFKNLURXYDO-UHFFFAOYSA-N 394.197 1.689 50 40 GDGB CCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@@H](C)C2)nc2ccccn2c1=O 5023709 OKNLSSREDKFVFW-CAMKDYJDSA-N 381.436 1.351 50 40 GDGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(N)=O)NC(=O)[C@H]1C(=O)OC 9329858 UHSGIZIMIHBINJ-GJZGRUSLSA-N 389.433 1.042 50 40 GDGB COc1ccccc1N1C(=O)N=C(O)/C(=C/NNC(=O)c2ccccc2)C1=O 34236594 CIBMZPLXLARLHW-QBFSEMIESA-N 380.360 1.937 50 40 GDGB CSCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc(Br)cc1 3324075 WLEWSNIQMILXDV-SNVBAGLBSA-N 389.275 1.000 50 40 GDGB N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21 6140310 FCJGSZRHGQAJOP-BWAHOGKJSA-N 393.378 1.336 50 40 GDGB Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 199423401 ZHGRTKGCPFDFIG-UHFFFAOYSA-N 386.364 1.320 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccncc2)c1-c1ccccc1 705618 NMWSFHOBJVDICZ-KEBDBYFISA-N 375.352 1.058 50 40 GDGB COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)cc(OC)c1OC 3081777 SHUOKQWBJFKXEY-LSHDLFTRSA-N 389.383 1.732 50 40 GDGB Cc1cc(C)n(CC(=O)NNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)n1 12550807 VKHDLLWLIWWRIA-UHFFFAOYSA-N 388.428 1.949 50 40 GDGB CCCOc1ccc(C(=O)NNC(=O)CCN2CCSC2=O)cc1OC 12729026 YVUCJJQSORJTML-UHFFFAOYSA-N 381.454 1.804 50 40 GDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2ccccc21 18254635 NJOMWNMPBHUUHG-ATJXCDBQSA-N 395.415 1.804 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 3086544 FSOPSYKAVNKZIS-XDHOZWIPSA-N 375.450 1.774 50 40 GDGB COc1ccc(C(=O)NNc2nc(N)c(C#N)c(CC#N)c2C#N)cc1OC 25156649 FCVSAVDTICBXDF-UHFFFAOYSA-N 377.364 1.247 50 40 GDGB CC(=O)Nc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 3519238 CADYLSCYLVUOQQ-UHFFFAOYSA-N 389.795 1.916 50 40 GDGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)N1CCOCC1 6859750 IIUMWYZBJZNUJK-WSDLNYQXSA-N 398.419 1.092 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)C3CCC3)C2)cc1 8352081 HBIIYSLIPBQCMV-OAHLLOKOSA-N 379.482 1.343 50 40 GDGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccccc1 40161273 DDQBGGJQERONEX-UHFFFAOYSA-N 388.449 1.938 50 40 GDGB O=C(COC(=O)CSc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 12868278 IJYSYBIJVGZMAU-UHFFFAOYSA-N 389.389 1.691 50 40 GDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1cc([N+](=O)[O-])ccc1Cl 101147801 YMBUVRWPDASSBN-CPNJWEJPSA-N 377.744 1.217 50 40 GDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)c1 2176020 JHZVOYCIIUZRSQ-LICLKQGHSA-N 397.478 1.682 50 40 GDGB O=C(NNC(=O)c1coc(=O)c(Br)c1)c1ccc([N+](=O)[O-])cc1 5065645 KIKPXZKXLYUGTF-UHFFFAOYSA-N 382.126 1.385 50 40 GDGB Cc1cc(C)n2ncc(C(=O)NNC(=O)c3cncn3-c3ccc(F)cc3)c2n1 32795728 KNIDOYBBZZUNGG-UHFFFAOYSA-N 393.382 1.746 50 40 GDGB C/C(=N\NC(=O)COc1ccc(C#N)cc1)c1ccc(OCC(=O)N(C)C)cc1 7814907 IEVVSIZMSXWBGK-HZHRSRAPSA-N 394.431 1.944 50 40 GDGB Cc1cc(/C=N\NC(=O)CN2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1 59246427 WWSMFXGWCCDTTK-HMAPJEAMSA-N 383.496 1.942 50 40 GDGB COc1ccc2oc(=O)c(C(=O)NNC(=O)c3ccc(OC)c(OC)c3)cc2c1 860690 WMJNKHDIJRIPAB-UHFFFAOYSA-N 398.371 1.894 50 40 GDGB COc1cc(C(=O)NNC(=O)CN2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1OC 14246894 FELIRJVZNWRYFG-BETUJISGSA-N 379.457 1.451 50 40 GDGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1)Nc1ccccc1 409252133 BZSNPSJPQMADGY-CIAFOILYSA-N 380.404 1.433 50 40 GDGB Cc1ccc(SCC(=O)NNC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 25600506 CSYLKKZJGVOUDQ-CQSZACIVSA-N 385.511 1.049 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)CC(C)C)C2)cc1 8352065 XOEUGFABOGAJMX-HNNXBMFYSA-N 381.498 1.589 50 40 GDGB Cn1cc(I)c(C(=O)N/N=C/c2ccc3c(c2)OCO3)n1 993812 PVFHGUVTRVUDSC-PJQLUOCWSA-N 398.160 1.517 50 40 GDGB CNC(=S)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 3252310 HLOXKZDUIGTUTF-UHFFFAOYSA-N 394.478 1.235 50 40 GDGB O=C(CCS(=O)(=O)c1ccccc1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 5267643 GXHLDPJAMNWKMH-UHFFFAOYSA-N 398.444 1.702 50 40 GDGB COc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c1OC 5721092 DQJDFTIPPRPETF-WOJGMQOQSA-N 377.422 1.132 50 40 GDGB O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)C[C@H]1CCS(=O)(=O)C1 24127983 CUTDGEWWIFOIFK-LLVKDONJSA-N 378.372 1.220 50 40 GDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(OC[C@H]2CCCO2)cc1 12941842 VSODGKGUVWJZGJ-VQIMIIECSA-N 398.415 1.845 50 40 GDGB CN(C)c1ccc(C(=O)NN[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 18271473 TTWDNUSOZQVPAU-MRXNPFEDSA-N 386.839 1.973 50 40 GDGB O=C(CN1CCCc2ccccc21)NNS(=O)(=O)c1cc(F)ccc1F 8107072 WOVIGNPELXXWHT-UHFFFAOYSA-N 381.404 1.727 50 40 GDGB O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1OCC(=O)O 3081309 FHXSXNKQPBXHQQ-UFWORHAWSA-N 388.332 1.083 50 40 GDGB C/C(CC(=O)N1CCN(C=O)CC1)=N\NC(=O)c1cc2ccccc2cc1O 4697787 FEVGHCUIIGYNQW-KGENOOAVSA-N 382.420 1.342 50 40 GDGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1O 59247077 DRXXTKPKUHOCKP-MFOYZWKCSA-N 386.246 1.336 50 40 GDGB CC(C)n1[nH]cc/c1=N\C(=O)[C@@H](C)SC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1 102882645 VHCAJIMRMBKHGQ-JQVLZGCLSA-N 386.481 1.977 50 40 GDGB O=C(COC(=O)/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(F)cc1 6946772 KSBZLXVCRCDZFH-JXMROGBWSA-N 387.323 1.752 50 40 GDGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 137434608 SDOFBPPYPGLADP-FMBMRVCESA-N 386.415 1.758 50 40 GDGB COc1ccc(C(=O)NCC(=O)NNC(=O)CSc2ccc(C)cc2)cc1 8944136 XHECBEYUGAYXDF-UHFFFAOYSA-N 387.461 1.673 50 40 GDGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 7428759 OLTIXDZGIMUDAJ-UHFFFAOYSA-N 380.378 1.056 50 40 GDGB COc1ccc(N(CC(=O)NN=C2CCCCC2)S(C)(=O)=O)cc1OC 408781066 QYTCCRKXEYOSCX-UHFFFAOYSA-N 383.470 1.906 50 40 GDGB CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC)c1 8088399 GMQFMGLRRWDBBG-WSDLNYQXSA-N 382.420 1.463 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 6606805 VUOMWESPCNHSFV-FOKLQQMPSA-N 396.447 1.825 50 40 GDGB O=C(COc1ccc(Br)cc1)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 726149 DBQXLFXCLOGWLZ-QWHCGFSZSA-N 399.241 1.866 50 40 GDGB CC(C)C(=O)NNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 24568487 KUGKIECBZGYYDK-UHFFFAOYSA-N 395.506 1.686 50 40 GDGB O=C(O)/C=C/C(=O)NNC(=O)COc1ccc2ccccc2c1Br 1794422 YULKJQAKNAFASB-BQYQJAHWSA-N 393.193 1.769 50 40 GDGB O=C(NCCOCCOc1ccccc1)NNC(=O)[C@H]1Cc2ccccc2O1 65501732 YGFVOPTZKNOUFN-GOSISDBHSA-N 385.420 1.416 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2CC)c1 8088402 KVHDBHMQJREHBJ-YDZHTSKRSA-N 396.447 1.853 50 40 GDGB CCOC(=O)Cn1c(Cl)c(/C=N/NC(=O)Cc2ccc(O)cc2)sc1=O 4942514 FDDCSRNATRIGHQ-QGMBQPNBSA-N 397.840 1.525 50 40 GDGB COC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21 989157 XHHKBFRVDFSVAZ-HXUWFJFHSA-N 379.372 1.175 50 40 GDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2)c2ccccc21 18254642 DRJRQEUIVXNIEA-ATJXCDBQSA-N 395.415 1.804 50 40 GDGB O=C(N[C@@H](CO)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)OCc1ccccc1 6646017 GMPWKYQGZHOMBM-JJLFXSABSA-N 386.364 1.332 50 40 GDGB O=C(N/N=C/c1ccco1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408971316 IJMMKZRATKVRDS-XDHOZWIPSA-N 379.413 1.970 50 40 GDGB COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)ccc1O 19953925 UWBCZTPZCKAHQE-WOJGMQOQSA-N 377.422 1.317 50 40 GDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1C#N 1501993 DSEIZFKXNRLWNG-AWQFTUOYSA-N 383.364 1.845 50 40 GDGB O=C(OCCCl)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 2190402 MHEBIHMTZMGBEW-UHFFFAOYSA-N 388.829 1.993 50 40 GDGB C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2 13008162 OWTFZPKMFBRLPM-LBPRGKRZSA-N 385.376 1.491 50 40 GDGB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3203112 FWQMYRLKAWUAFW-HPAYWCODSA-N 385.336 1.772 50 40 GDGB Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 2690799 FIGJPPPBXJXISW-UHFFFAOYSA-N 388.405 1.618 50 40 GDGB O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1cccc([N+](=O)[O-])c1 100572076 FDGHKZNHMYJTGJ-AWEZNQCLSA-N 388.767 1.815 50 40 GDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 101309595 IRSRUVJHWLQMDQ-HMILLTCMSA-N 380.825 1.805 50 40 GDGB O=C(COc1ccc2ccccc2c1)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 4392963 TWURHIYXQACHCS-ZDUSSCGKSA-N 376.434 1.191 50 40 GDGB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NNC(=O)c1ccncc1 4676457 AYQBPVBBDCPPOZ-UHFFFAOYSA-N 399.426 1.111 50 40 GDGB CCOc1cc(C(=O)NNC(=O)c2ccc[n+]([O-])c2)cc(OCC)c1OCC 16494875 VETDUBRJSBEGDG-UHFFFAOYSA-N 389.408 1.591 50 40 GDGB CS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccccc2C(F)(F)F)C1 17077163 QDDLFNXXXQFYSS-BFNDQCEFSA-N 377.388 1.827 50 40 GDGB O=C(NNC(=O)c1ccco1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 29755547 LRQLZMSNGWBDJO-UHFFFAOYSA-N 381.385 1.278 50 40 GDGB CC(C)(C)OC(=O)NCCOCCOCCOCCSSCCN 888086745 BFVUUEPIJZMMKP-UHFFFAOYSA-N 384.564 1.901 50 40 GDGB Cc1nc2ccccn2c1C(=O)NNC(=O)NCc1cccnc1-n1ccnc1 32803410 AUINSCDCSVKRGA-UHFFFAOYSA-N 390.407 1.368 50 40 GDGB Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1C 32971063 UVKZRKSMVWNAFH-KBXCAEBGSA-N 377.466 1.284 50 40 GDGB COc1ccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 12540657 MPELEVCFAIWGRL-UHFFFAOYSA-N 394.387 1.931 50 40 GDGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c21 2256779 AJTJPABJKUZBSW-GOSISDBHSA-N 380.448 1.945 50 40 GDGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 6509202 DKDZPQFEVYDJDK-UHFFFAOYSA-N 384.417 1.555 50 40 GDGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)Cn1nnc(-c2ccccc2)n1 6560290 HXXGHEMMXQAABJ-UHFFFAOYSA-N 389.419 1.602 50 40 GDGB N#CCc1c(C#N)c(N)nc(NNC(=O)c2ccc(Br)cc2)c1C#N 19791844 ZPFDOOPUACXARN-UHFFFAOYSA-N 396.208 1.993 50 40 GDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1c(C)nn(-c2ccccc2)c1O 35183174 FSFBZFDEKBPWKI-XNTDXEJSSA-N 378.388 1.471 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccncc2)cc1Cl 39986707 MCOMGPHFBOBNRD-GRSHGNNSSA-N 396.856 1.514 50 40 GDGB CCOC(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 5444359 YSLGRCJFUBULCS-QGZVFWFLSA-N 384.392 1.887 50 40 GDGB C=CCn1c(=O)n(CC=C)c(=O)n(C[P@@](=O)(CCl)c2ccccc2)c1=O 4600379 UAHIZHGIBAKANQ-SANMLTNESA-N 395.783 1.386 50 40 GDGB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1 32969061 IYNXWIJSZXGCDK-BLLLJJGKSA-N 378.473 1.593 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 58873623 UXSSCBMLDBGECH-OMBDHMDGSA-N 383.404 1.566 50 40 GDGB O=C(NCc1ccco1)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 409252287 CZNBAGCGROHCHG-WSDLNYQXSA-N 398.419 1.047 50 40 GDGB COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)c(O)c([N+](=O)[O-])c1 409366693 XMLZXTCLPBYNPR-GRSHGNNSSA-N 387.348 1.773 50 40 GDGB COc1cc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1O 39986604 UJOYXRLGTLPCMM-ODLFYWEKSA-N 391.449 1.480 50 40 GDGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccncc3)nnn2-c2nonc2N)cc1 2234008 LXMYMZPHGYJOJI-UFFVCSGVSA-N 389.379 1.367 50 40 GDGB COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H](NNC(=O)c2ccccc2)C1=O 100842143 KPQMXIBPDAWFQG-ZDUSSCGKSA-N 384.348 1.170 50 40 GDGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)c(OC)c1 59459666 WJYOFQFQODHGTG-RGVLZGJSSA-N 387.392 1.810 50 40 GDGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C/c2cccc(OC)c2O)cc1 2283644 BYGCLAMZQZXBEU-VNNYSTBCSA-N 383.404 1.689 50 40 GDGB C/C(NNC(=O)c1ccccc1O)=C1/C(=O)N=C(O)N(C2CCCCC2)C1=O 17028823 ACCDDXNRPHXBTM-RVDMUPIBSA-N 386.408 1.516 50 40 GDGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 67913404 KZJNKSIORXDWKH-WDVLEDGRSA-N 378.421 1.241 50 40 GDGB biogenic,in-vitro COc1ccc(C(=O)NNC(=O)COCC(=O)N[C@@H](C)c2ccccc2)cc1 4696084 BYCKHEPCETZRTI-AWEZNQCLSA-N 385.420 1.350 50 40 GDGB O=C(NS(=O)(=O)c1ccc(I)cc1)C(Cl)Cl 3075933 QRHMXYSKYNSHGI-UHFFFAOYSA-N 394.017 1.900 50 40 GDGB COc1cccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)c1 408773057 PMFPETHVGOYTIC-WOJGMQOQSA-N 377.422 1.317 50 40 GDGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1cc([N+](=O)[O-])ccc1O 408865626 DJQNMCWATJNXOT-IUXPMGMMSA-N 390.308 1.990 50 40 GDGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(N)=O)c2)cc1 409218984 MBZAYWBJZRELBM-DHDCSXOGSA-N 379.372 1.883 50 40 GDGB CCc1ccc(C(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 12923400 BFRQQQLHPRUCBM-UHFFFAOYSA-N 376.416 1.980 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)c1ccco1 32915917 NWQPXRSFSVDXKT-UHFFFAOYSA-N 377.300 1.404 50 40 GDGB O=C(CNC(=O)c1ccncc1)N/N=C/c1cc(Br)ccc1O 3148643 KAIXKRWLJPOZSS-UFWORHAWSA-N 377.198 1.430 50 40 GDGB CCNC(=O)/C(C#N)=C/c1c(N2CCN(CC)CC2)nc2c(C)cccn2c1=O 2202995 RUYXCIYMJQZJQU-DTQAZKPQSA-N 394.479 1.188 50 40 GDGB CCOc1ccc(/C=N/NC(=O)[C@@H](c2ccncc2)N2CCOCC2)cc1O 20029498 GJGPSOTUXVRRIL-VZMFNRANSA-N 384.436 1.710 50 40 GDGB O=C(S[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3066153 KADSCQQMQWILPO-NXEZZACHSA-N 380.787 1.781 50 40 GDGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(OCC(=O)O)c2)cc1 5277329 CDNGQGGTCPVNKN-AWQFTUOYSA-N 386.360 1.686 50 40 GDGB O=C(Cn1c(=O)oc2ccccc21)NNC(=O)c1cc(-c2ccccc2)n[nH]1 5272587 UASDSKBDSCUUPG-UHFFFAOYSA-N 377.360 1.446 50 40 GDGB COc1ccc(/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 5575826 VNDFNMZVHFKIJC-CIKBWMHTSA-N 386.429 1.475 50 40 GDGB O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc(O)c1 33891047 BPWSWLMABNOHOM-BKUYFWCQSA-N 383.404 1.394 50 40 GDGB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 3364165 SWUKXXPVIUSPLL-DHZHZOJOSA-N 384.388 1.721 50 40 GDGB CCOC(=O)c1cnc(SSc2ncc(C(=O)OCC)c(N)n2)nc1N 13150740 SLROENSFBCEPLE-UHFFFAOYSA-N 396.454 1.584 50 40 GDGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(N)=O)cc1OC 6441696 HBKMLCKBBAVQDB-NKVSQWTQSA-N 391.811 1.985 50 40 GDGB N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@@H]1c1ccc(F)cc1 6495442 QJVREIOBAFXMNK-CQSZACIVSA-N 375.425 1.756 50 40 GDGB CN(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(F)cc1 6544418 LGVZRGZCQDDCCC-VXLYETTFSA-N 393.396 1.295 50 40 GDGB O=C(Cn1c(=O)oc2ccccc21)NNC(=O)c1ccccc1Br 5423888 KZVNJJDYIFUILK-UHFFFAOYSA-N 390.193 1.818 50 40 GDGB O=C(CSc1nnnn1-c1ccccc1)NNC(=O)c1ccccc1[N+](=O)[O-] 15778124 AOVOGRYAZXNMCI-UHFFFAOYSA-N 399.392 1.124 50 40 GDGB CCCCn1nc(C(=O)NNC(=O)c2ccccc2O)c2ccccc2c1=O 7784073 JOLXAHLONKYLAX-UHFFFAOYSA-N 380.404 1.977 50 40 GDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCOCC2)cc1 38545230 ITWKDIPUOPATOC-MOSHPQCFSA-N 384.392 1.961 50 40 GDGB CN(C)c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc1[N+](=O)[O-] 6136017 UFVINRFIRYFTAW-YBFXNURJSA-N 394.395 1.465 50 40 GDGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1 7784906 BPCHSOJKRMRAFJ-VGTRTNLYSA-N 384.230 1.203 50 40 GDGB CN(C)c1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 101687453 ONKBJJQAAINABF-INIZCTEOSA-N 386.839 1.973 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 59434162 HUBIDJINAXEFHW-RGVLZGJSSA-N 385.376 1.666 50 40 GDGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cc[n+]([O-])cc1 28817800 ZZVBZICUKWRNSG-JTQLQIEISA-N 380.198 1.311 50 40 GDGB COc1cccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(C)(=O)=O)c1 408772191 FCRNJDSPJZDRKW-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)n1 408721785 YKJHQLIQEBTOOH-VXLYETTFSA-N 376.336 1.270 50 40 GDGB O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 32118663 GYCGNOHGRQGWCI-UHFFFAOYSA-N 379.785 1.593 50 40 GDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 363072440 MRHOHLALPFXMNZ-ZDUSSCGKSA-N 398.375 1.418 50 40 GDGB C[C@H]1CCc2sc(C(=O)NNC(=O)Cn3c(=O)n(C)c4ccccc43)cc2C1 14326118 SWLOJZHJPPHGBD-LBPRGKRZSA-N 398.488 1.988 50 40 GDGB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccc(F)cc2)C1=O 17359278 GJQJUOYBERZXPH-HXUWFJFHSA-N 398.394 1.444 50 40 GDGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc(OC)c1OC 5512424 BRJJPDHZZDLKKC-LPYMAVHISA-N 385.420 1.521 50 40 GDGB CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=S)N[C@H](C)c2ccccc2)C1 103084788 FRXRBAZLZGZPLI-UKRRQHHQSA-N 398.554 1.305 50 40 GDGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 67913412 LOFBWESEBFUNJU-GBPFGUSLSA-N 392.448 1.895 50 40 GDGB biogenic,in-vitro O=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1ccc2c(c1)OCCO2 45300751 MMRWSFRDZNLHJY-UHFFFAOYSA-N 397.309 1.869 50 40 GDGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc2ccccc2c1 1055215 BILZYNGCTJMXLN-KEBDBYFISA-N 376.380 1.848 50 40 GDGB CN(CCCCN(C)P(=O)(N1CC1)N1CC1)P(=O)(N1CC1)N1CC1 104084963 FEJWNSGKHNGHOR-UHFFFAOYSA-N 376.382 1.109 50 40 GDGB C/C(N)=C(/C#N)C(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 6292568 MELCCQNCLYNPTQ-LRXXLLMYSA-N 391.427 1.896 50 40 GDGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(C)(=O)=O 408908162 UKODCHZYKXBTIH-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCCN(c3cnccn3)C2)c1 29754683 LIEKZILDDCTKAT-ZDUSSCGKSA-N 385.424 1.171 50 40 GDGB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)NNC(=O)c1ccccc1 8036902 SBRXWDISSAVJOM-CQSZACIVSA-N 399.378 1.183 50 40 GDGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1 58880783 IRQFSXZQAPJZBJ-WSDLNYQXSA-N 396.447 1.987 50 40 GDGB Cc1ccc2c(c1)C(=O)N(CCCC(=O)NNC(=O)c1ccccc1O)C2=O 12793686 CRMNIBSBHLVVFI-UHFFFAOYSA-N 381.388 1.538 50 40 GDGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)[C@H]1COc2ccccc2O1 13895935 GXOAILFIIXVZNA-BYNSURFDSA-N 388.292 1.499 50 40 GDGB COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)ccc1O 408783142 KNSZOLXJYOCQGH-VXLYETTFSA-N 395.412 1.456 50 40 GDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)Cc2csc(C)n2)cc1 2642924 VANZNDBRINOSAU-UHFFFAOYSA-N 383.451 1.180 50 40 GDGB COc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 2357313 IIBARJXCTPPFJD-AWEZNQCLSA-N 387.367 1.409 50 40 GDGB Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc([S@@](C)=O)cc1 48274864 XSFRMKGRTWUIKL-QFIPXVFZSA-N 384.255 1.600 50 40 GDGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 16222762 CCZUKOZEBNFBIB-VIFPVBQESA-N 395.264 1.344 50 40 GDGB O=C(NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccncc1 18110916 NTQLFXOUHFVCOA-UHFFFAOYSA-N 385.401 1.723 50 40 GDGB CC(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Cl)cn2C)cc1 40131958 GNPCXSHVQAPVSN-UHFFFAOYSA-N 383.857 1.935 50 40 GDGB COc1ccc(Br)cc1/C=N/NC(=O)Cn1cnc([N+](=O)[O-])n1 994080 PEIIBBCTYLYFKD-PJQLUOCWSA-N 383.162 1.108 50 40 GDGB Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2F)n1 408980596 FXRDMLWZQYRGLR-DJKKODMXSA-N 383.343 1.846 50 40 GDGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc4c(c3)OCO4)CC2=O)cc1 409169600 RALZFNJNEKLDLC-YYLUKMIBSA-N 381.388 1.927 50 40 GDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc(Cl)c(C(=O)O)c1 101111068 KIZHBDOFXLWIHY-DEDYPNTBSA-N 376.756 1.007 50 40 GDGB CC(=O)NNC(=O)CSc1nnc2c3c4c(sc3nc(C)n12)CCCC4 4241259 QGHIBVAEFLTLOX-UHFFFAOYSA-N 390.494 1.786 50 40 GDGB Cn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)n1 695489 CHLFPMYIXGMJGW-SYZQJQIISA-N 396.157 1.583 50 40 GDGB C[C@@H](NC(N)=O)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 27008539 IOCWVMWONICRLL-CYBMUJFWSA-N 392.419 1.357 50 40 GDGB CS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 58300526 UUDVHASELYFTMO-UHFFFAOYSA-N 397.796 1.727 50 40 GDGB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NN)c(Cl)c1)c1ccccc1 6260565 IOHUGQHSCMYPBL-NSHDSACASA-N 383.857 1.748 50 40 GDGB O=C(N/N=C/c1ccccc1O)C1CCN(S(=O)(=O)c2ccccc2)CC1 6890150 UOJWWNPQBCPTBQ-XSFVSMFZSA-N 387.461 1.943 50 40 GDGB O=C(CCN1CCN(Cc2ccccc2)CC1)NNC(=O)Cc1ccccc1F 25764939 KAUIXXNPIBDABA-UHFFFAOYSA-N 398.482 1.724 50 40 GDGB NC(=O)N1CCC[C@@H]1C(=O)NNC(=O)CSc1nc2ccccc2s1 6508222 UGDICNUMTQMEIQ-SNVBAGLBSA-N 379.467 1.079 50 40 GDGB CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409110776 GRXJALMXPIGUQL-UDWIEESQSA-N 392.456 1.808 50 40 GDGB O=C(Cc1ccccc1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408741913 SKQPLVWLHOIPSL-SLDJAQPHSA-N 380.429 1.395 50 40 GDGB COc1ccc(C(=O)NNC(=O)CCc2c(C)nn(CCC#N)c2C)cc1OC 40058487 IDFHQXDLAGPJEN-UHFFFAOYSA-N 399.451 1.825 50 40 GDGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(N)=O)cc1OC 6441288 YGCYMWLTPKLKEX-UUYOSTAYSA-N 383.404 1.888 50 40 GDGB Cn1cc(Br)cc1C(=O)NNC(=O)Cc1noc2ccccc12 28719966 VNESBZGIHHMQDN-UHFFFAOYSA-N 377.198 1.933 50 40 GDGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(C)o3)nnn2-c2nonc2N)cc1 9424492 UXVALRZSXOFZRO-AWQFTUOYSA-N 392.379 1.873 50 40 GDGB Cn1c(CC(=O)NNC(=O)COc2ccc3c(c2)CCC3)nc2ccccc21 6581420 ZEEQSZNFCIHNRL-UHFFFAOYSA-N 378.432 1.831 50 40 GDGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc(F)cc1 408742222 VIQUQAHRFXTLIF-ANKPHQHTSA-N 384.392 1.605 50 40 GDGB Cc1n[nH]c2c1[C@@H](c1ccc(OCC(=O)N3CCCC3)cc1)C(C#N)=C(N)O2 818695 KDQDZEAZMQYPHV-SFHVURJKSA-N 379.420 1.938 50 40 GDGB CN(C)N(C(=O)Cc1csc(-c2cccs2)n1)[C@@H]1CCS(=O)(=O)C1 25050953 NSQFWUNLJFEZQU-GFCCVEGCSA-N 385.536 1.906 50 40 GDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)CCc2ccccc2)c2ccccc21 5791857 PDFFANNEPGEVKE-GFMRDNFCSA-N 378.432 1.622 50 40 GDGB Cc1cccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c1 20060272 WNMJVWAWACQDLW-WOJGMQOQSA-N 390.421 1.820 50 40 GDGB O=C(C[C@@H]1C=CCC1)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 8053359 KMSUUTUVJKCXRC-CYBMUJFWSA-N 385.445 1.852 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1cccc(Cl)c1 408767249 KRABBGQZQVLFGV-VCHYOVAHSA-N 381.841 1.962 50 40 GDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 29006874 JKRRAAKUFJDUCN-CQSZACIVSA-N 381.388 1.538 50 40 GDGB CCc1sc(C(=O)NNC(=O)CNC(=O)Cc2cccc(F)c2)cc1C 40144581 IRFXPNCKCFUYHZ-UHFFFAOYSA-N 377.441 1.878 50 40 GDGB O=C(O)[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3cc([N+](=O)[O-])ccc3OC(=O)[C@H]12 29748604 XIPVJQCDBDFGPS-OYNCUSHFSA-N 380.359 1.571 50 40 GDGB O=C(CN1CCN(Cc2ccccc2)CC1)NNC(=O)c1ccc(Cl)cc1 21763093 YIYGMEHLQCNWTA-UHFFFAOYSA-N 386.883 1.919 50 40 GDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(N(C)C)cc1 2244747 JYGREINPOAVZJW-FCNRDGCESA-N 399.472 1.532 50 40 GDGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OC)c3O)CC2=O)cc1 409158516 OURRSDUJAZHMOJ-WHJAWBAWSA-N 383.404 1.913 50 40 GDGB Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 5072034 UUTAQZYVYZWXGC-VXLYETTFSA-N 381.348 1.192 50 40 GDGB C/C(CC(=O)NCCN1CCOCC1)=N\NC(=O)COc1ccc(Cl)cc1 4590924 ZCPVVIMVHGJJQE-KGENOOAVSA-N 396.875 1.049 50 40 GDGB O=C(CN1CCOCC1)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1 408995601 BMEHYYPOTIIVCV-UYRXBGFRSA-N 375.429 1.367 50 40 GDGB CCCCc1n[nH]c2c1[C@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9328614 DTUDBLJHHPXWHZ-GOSISDBHSA-N 380.364 1.985 50 40 GDGB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NNC(=O)c1ccncc1 5119842 KOTKRZAUZSHBAE-NTCAYCPXSA-N 399.476 1.334 50 40 GDGB CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1OC(C)(C)O[C@H]21 2665373 ZYQSWUFUVGIGTA-WZYWGQKZSA-N 395.364 1.897 50 40 GDGB biogenic CS(=O)(=O)c1ccc(C(=O)NNC(=O)CSc2ccccc2F)cc1 8293522 ABXRRLGCAWTJTN-UHFFFAOYSA-N 382.438 1.783 50 40 GDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(N(C)C)cc1 13806819 JYGREINPOAVZJW-FNTDYBJHSA-N 399.472 1.532 50 40 GDGB COC(=O)C[C@@H](Br)/C(=N/Nc1ccccc1[N+](=O)[O-])C(=O)OC 16189719 UEVCJDIWWHJFEH-NIRIDEOPSA-N 388.174 1.862 50 40 GDGB COc1c(O)ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 3085563 VRRVQEFCXJUMEQ-CAOOACKPSA-N 390.308 1.746 50 40 GDGB COC(=O)c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 13881521 ILNKFLTVJCXWEO-VCHYOVAHSA-N 386.320 1.982 50 40 GDGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2cccc(Cl)c2Cl)n1 7386829 CGHJVGKNZNEDSX-UHFFFAOYSA-N 377.253 1.816 50 40 GDGB O=C(COc1ccc(Br)cc1)NNC(=O)NCCCn1ccnc1 9516566 WNXXJRWYHHYGEA-UHFFFAOYSA-N 396.245 1.445 50 40 GDGB CCCOCC[C@H](CCl)OC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 242723201 YGHFYZCFORVIPI-MXWKQRLJSA-N 378.343 1.706 50 40 GDGB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NN)c(C)c2)cc1 7361967 XSVWOJSULRGHCQ-UHFFFAOYSA-N 379.438 1.563 50 40 GDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1 58873562 AHTUWWVXZUNFLA-YDZHTSKRSA-N 396.447 1.357 50 40 GDGB O=C(CCC(=O)NNC(=O)c1ccc(Br)o1)NCc1ccccc1 2134243 RALKQQGLXMEFJX-UHFFFAOYSA-N 394.225 1.900 50 40 GDGB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NNC(=O)C(=O)NCc3ccco3)c12 28691883 HZGOCVNSAYYZHD-UHFFFAOYSA-N 398.423 1.071 50 40 GDGB COc1cc(C(=O)NNC(=O)COc2cccc(F)c2)cc(OC)c1OC 2631780 JHTDJKUWCZDEOE-UHFFFAOYSA-N 378.356 1.692 50 40 GDGB Cc1ccc2c(CC(=O)NNC(=O)C[C@@H]3CCS(=O)(=O)C3)coc2c1C 7819541 DMUYHWKQAFUZRS-ZDUSSCGKSA-N 378.450 1.564 50 40 GDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(Br)o1 4702502 CCJKZOGIHVVNGO-LZYBPNLTSA-N 375.186 1.846 50 40 GDGB CCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 12536210 DQEJXRQULPVHIE-UHFFFAOYSA-N 392.393 1.431 50 40 GDGB COc1cc(OC)cc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 3529791 YRUXQWGVFQOVQM-UHFFFAOYSA-N 392.795 1.975 50 40 GDGB CCS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2C)n1 27995551 WPXBNJNPNSXXKD-UHFFFAOYSA-N 382.829 1.307 50 40 GDGB CCc1sc(C(=O)NNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1C 5267741 RDOHZZHKVXWSTC-UHFFFAOYSA-N 386.433 1.083 50 40 GDGB CCc1sc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC)c2)cc1C 6787438 FKDJMNAIJCIWFE-UHFFFAOYSA-N 381.479 1.602 50 40 GDGB CCc1ccc(C(=O)NNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 15756763 XWOFZDUFJVLSNF-UHFFFAOYSA-N 380.364 1.813 50 40 GDGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1ccccc1O 408732144 SSLUTZSWDIDNQT-OMCISZLKSA-N 388.236 1.679 50 40 GDGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccc(C(=O)O)cc1 31830151 ATFLCMQJPPPAIM-HMAPJEAMSA-N 380.448 1.653 50 40 GDGB COc1ccccc1N1C(=O)/C(=C/NNC(=O)c2ccncc2)C(O)=NC1=S 2299793 GTWICFVVFUFKKI-ZRDIBKRKSA-N 397.416 1.497 50 40 GDGB COCCn1c(C)cc2c(c1=O)[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 4570663 OPBJKIJAGQXFNS-QGZVFWFLSA-N 395.415 1.808 50 40 GDGB Cc1ccc(NC(=O)/C(=N/NC(N)=O)c2c(O)nc3ccccc3c2O)cc1 104297713 UUYXPKKUOPYIBX-HZHRSRAPSA-N 379.376 1.966 50 40 GDGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cnc3ccccn3c2=O)cc1 12737379 VPVJCRLAOKWPHA-ZDUSSCGKSA-N 396.403 1.322 50 40 GDGB CCCc1c(C(=O)N/N=C(\C)c2ccc(C#N)cc2)nnn1-c1nonc1N 13788237 JMXUUWCMBSTUNB-KEBDBYFISA-N 379.384 1.211 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCO2 7428751 KXORXCNAJCVICH-UHFFFAOYSA-N 392.389 1.200 50 40 GDGB COC(=O)N1CCC(NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 89401031 JZJGWADBMNMZQN-UHFFFAOYSA-N 378.473 1.764 50 40 GDGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1)Nc1ccccc1 409253659 XUEFVWARYUEJRA-CIAFOILYSA-N 380.404 1.433 50 40 GDGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)CCl)s2)cc1 408732548 WQHPHCYHIJMWTN-RQZCQDPDSA-N 380.861 1.474 50 40 GDGB C=CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1Br 409002398 UJRHSZZUSVQXTO-WQRHYEAKSA-N 382.258 1.796 50 40 GDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CN1CCOCC1 17077950 BLBVMOZAZQLCMR-GOSISDBHSA-N 381.436 1.777 50 40 GDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)OC)c(Br)c1 28196635 OIIDZESACDLQKP-UHFFFAOYSA-N 381.204 1.175 50 40 GDGB Cc1cc(C)n2nc(CC(=O)NNC(=O)COc3cccc(C)c3C)nc2n1 5451246 BLCRWNMXIHZDKR-UHFFFAOYSA-N 382.424 1.127 50 40 GDGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccccc2S(C)(=O)=O)c1 40159778 QCMSQTBLEHEJRN-UHFFFAOYSA-N 376.434 1.547 50 40 GDGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccccc3N)n2C)cc1 1364486 FZJZWTVFPPKSLL-UHFFFAOYSA-N 396.476 1.926 50 40 GDGB Nc1nccnc1C(=O)OCC(=O)NN=C(c1ccccc1)c1ccccc1 10141711 BQFASJPXBQGXGC-UHFFFAOYSA-N 375.388 1.784 50 40 GDGB C/C(NNC(=O)c1ccccc1)=C1\C(=O)N=C(O)N(c2ccc(C)cc2)C1=O 1283129 PRALTPAMUWOBIP-SSZFMOIBSA-N 378.388 1.991 50 40 GDGB Cc1cccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(C)(=O)=O)c1 20060307 DXYWIBVWIQMDAF-UHFFFAOYSA-N 386.433 1.234 50 40 GDGB N#CCCN(CCN(CCC#N)C(=O)NCCCl)C(=O)NCCCl 4948957 BWFAAYYVSFDVNN-UHFFFAOYSA-N 377.276 1.315 50 40 GDGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC(C)C)cc1 6841395 JPQQPPHVGCJOKL-WSDLNYQXSA-N 396.447 1.987 50 40 GDGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCC=C)c2ccccc21 1817179 NPHURIATJWFRNB-OAQYLSRUSA-N 375.384 1.631 50 40 GDGB CCOc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1 892177 YREIWDNNPZTSFA-UHFFFAOYSA-N 388.409 1.207 50 40 GDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1 6507513 VOVIJUHEARYWFY-NSHDSACASA-N 380.397 1.458 50 40 GDGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Br)c1 408805634 BDTYVKSLVUTSGL-KPKJPENVSA-N 397.225 1.972 50 40 GDGB Cc1c(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)n(C)n(-c2ccccc2)c1=O 33044062 AEBGAWNJLSCIHI-OZNZCJATSA-N 392.415 1.775 50 40 GDGB Cc1ccc(OCC(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1C 32971064 UVKZRKSMVWNAFH-RDTXWAMCSA-N 377.466 1.284 50 40 GDGB O=C(NNC(=O)C1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6930986 HHHOOIQIAKILCU-UHFFFAOYSA-N 379.482 1.812 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)Cc2cccs2)cc1NC(C)=O 9389921 BQIVPRMTYQDATO-UHFFFAOYSA-N 383.451 1.267 50 40 GDGB Cc1cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)/C=C/c2ccccc2)c(C)o1 9595815 UJCMRPXGCDOSQS-WTNCMQEWSA-N 391.449 1.636 50 40 GDGB Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C/c1ccc(N(C)C)cc1 2415300 TVKNTVMYVCSTBT-CIAFOILYSA-N 379.420 1.350 50 40 GDGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 408785968 CVEWMTHHMVHMJM-YBFXNURJSA-N 379.413 1.751 50 40 GDGB O=C(COc1ccc(F)cc1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 3174855 PQQPJYLHWFRNIU-REZTVBANSA-N 378.272 1.877 50 40 GDGB O=C(CN1CCN(c2ccccc2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 34858760 NNMOSGNIKIUWOO-UHFFFAOYSA-N 383.408 1.178 50 40 GDGB COC(=O)c1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 8768542 FNNVUPFABLDMFC-UHFFFAOYSA-N 388.292 1.364 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408536121 PUHIVPULQVJCPP-BTZNOAQDSA-N 378.388 1.918 50 40 GDGB COC(=O)COc1ccccc1/C=N/NC(=O)CSc1nc(C)cc(C)n1 8336703 NRRBYDNXWLCWPC-DJKKODMXSA-N 388.449 1.888 50 40 GDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cn(Cc2ccccc2)nn1 40047214 NPLWGIXCLIMTKS-CYBMUJFWSA-N 383.383 1.694 50 40 GDGB COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 669851 NWSOCMZRPWATTM-UHFFFAOYSA-N 381.366 1.235 50 40 GDGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(OCC(N)=O)c2)[C@@H]2CSCC=C12 27297677 RFPHFWVNZLUATP-SJLPKXTDSA-N 391.456 1.707 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1OC(F)F 12942856 MAQOZEDLOHPAHE-OAHLLOKOSA-N 394.330 1.898 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408534955 NAPKHQCJDRSSGL-WVISFHDSSA-N 382.351 1.749 50 40 GDGB CSc1nc2nc(C)c(CCC(=O)NNC(=O)OC(C)(C)C)c(C)n2n1 14251771 ZUQBWOSGCJZDRL-UHFFFAOYSA-N 380.474 1.952 50 40 GDGB Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc2c(c1)OCCO2 6651462 UGRHHSPXKRSTRI-UHFFFAOYSA-N 388.405 1.037 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1OC 7385322 CNHWTYCHAXNJBQ-NSHDSACASA-N 398.412 1.620 50 40 GDGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2ccccn2)C(C)C)cc1 17328911 FAWHIJSRODGRRS-INIZCTEOSA-N 390.465 1.154 50 40 GDGB Cc1ccc(OC(=O)CCl)c(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c1 217379079 JINNMDCMMIYOJX-NSHDSACASA-N 394.276 1.898 50 40 GDGB COC(=O)c1ccc(/C=N/NC(=O)CNC(=O)/C=C/c2ccc(OC)cc2)cc1 3038019 DFVXPIXJFSAEGU-ZUSHJTOUSA-N 395.415 1.762 50 40 GDGB Cc1c(/C=N/NC(=O)Cc2nnc(N)s2)c(Cl)nn1-c1ccccc1 5881573 DUXPKMYNMKMEIJ-QGMBQPNBSA-N 375.845 1.961 50 40 GDGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCC(=O)O 59334336 ZIJKVTKWXPKKDA-WMZJFQQLSA-N 383.198 1.916 50 40 GDGB COc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408538244 ZMVNARXHHGKPIW-MAUXSSGSSA-N 398.419 1.294 50 40 GDGB CN(C)c1ccc(/C=N\NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 31636977 ANEYJNOUFVDYKO-VOKWCDJLSA-N 380.452 1.419 50 40 GDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(N2CCOCC2)s1 6287363 JEBOZSPMKGABNH-XDHOZWIPSA-N 397.464 1.389 50 40 GDGB COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccncc1 3136565 MSYHENNZFFISTE-AWQFTUOYSA-N 391.225 1.733 50 40 GDGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 12696575 SYUZFNNOXJBFBX-LLVKDONJSA-N 396.396 1.389 50 40 GDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 408614784 HXRBSEXVHMAFJA-LBPRGKRZSA-N 386.339 1.548 50 40 GDGB CC(=O)Nc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3059005 LMEMMZSNWSRGRP-UHFFFAOYSA-N 387.308 1.536 50 40 GDGB CCOc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 101309281 YECSZCBMDAHJOD-BREGNPSQSA-N 388.898 1.926 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1ccccc1 20207359 VHDYVLFNJPGEFD-DEDYPNTBSA-N 386.433 1.505 50 40 GDGB CN(C)c1cccc(C(=O)NNC(=O)c2cccc(NS(C)(=O)=O)c2)c1 12560554 ZUZBPLQCAFWHMR-UHFFFAOYSA-N 376.438 1.199 50 40 GDGB COc1ccccc1OCC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1 12685328 XGGFBLDOPPWQBL-UHFFFAOYSA-N 384.367 1.860 50 40 GDGB Cc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c(C)o1 3325005 RZTBQVCZCITRHN-UHFFFAOYSA-N 393.465 1.643 50 40 GDGB COc1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3O)C2=O)cc1 9333851 IIZUUBHZYYUVCI-UVTDQMKNSA-N 396.359 1.642 50 40 GDGB COc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccncc3)C(O)=NC2=S)cc1 38172691 GAWPFWUTJJLBFC-UVTDQMKNSA-N 397.416 1.497 50 40 GDGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 408995189 AQFYHXHMYXCTRT-YBFXNURJSA-N 384.348 1.954 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2O)cc1 6544734 GDKJGZOXTFMOON-WOJGMQOQSA-N 377.422 1.172 50 40 GDGB O=C(CSc1cccc[n+]1[O-])NNC(=O)c1ccc(Br)cc1 3321717 CUMNISGWSRCNIY-UHFFFAOYSA-N 382.239 1.636 50 40 GDGB O=C(O)C[C@]12CSc3[nH]c(=O)sc3[C@@H]1c1cc([N+](=O)[O-])ccc1OC2=O 2689003 NVIAJQVJGSHZSL-BONVTDFDSA-N 394.386 1.962 50 40 GDGB O=C(NNC(=O)c1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 5978349 JGBYPROTDJVFRP-UHFFFAOYSA-N 391.424 1.685 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 7379563 DEHILMNEYMFDRW-UHFFFAOYSA-N 379.463 1.819 50 40 GDGB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NN)Cc1ccccc1 408623378 QJCXWNHBUTXEBJ-UHFFFAOYSA-N 383.857 1.529 50 40 GDGB Cc1cc(C)n(CC(=O)NNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)n1 15461946 OEHLERAOFYYXDI-UHFFFAOYSA-N 396.451 1.064 50 40 GDGB COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3ncsc3c2)cc1 7786101 FBNCMUCHTHYMRH-UHFFFAOYSA-N 385.401 1.923 50 40 GDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H](O)c1ccccc1 408587300 FFXWJSPKNDOLKS-ACRNLXFHSA-N 384.392 1.615 50 40 GDGB CCOC(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1 15590508 AZELMYLKBMEICU-UHFFFAOYSA-N 385.442 1.307 50 40 GDGB COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c(OC)c1 20172038 GFCWNKQJDYEGLA-HZHRSRAPSA-N 396.491 1.972 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 6497018 RRAXNJMWMGYNCC-FSJBWODESA-N 396.447 1.907 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(O)c2)c1-c1cccs1 1790668 GNAXFIQNKVAJOW-QGMBQPNBSA-N 396.392 1.431 50 40 GDGB O=C(NNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1cc([N+](=O)[O-])c[nH]1 22276837 DAUDKQJVFQXXPY-UHFFFAOYSA-N 398.354 1.811 50 40 GDGB CN(C)c1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101300239 CBOMUZXNAABMDC-BLCHQYFCSA-N 387.914 1.593 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1c[nH]c2ccccc12 13073702 IRUUKUBHADUEFY-UHFFFAOYSA-N 387.417 1.953 50 40 GDGB CC(C)(C)c1cc(C(=O)NNS(=O)(=O)c2ccc(-n3cccn3)cc2)n[nH]1 71282069 OPEGFMSCEOQLBY-UHFFFAOYSA-N 388.453 1.516 50 40 GDGB O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccccc1 408686527 RPLPZLHOIGQMSK-HKLHZYFVSA-N 379.210 1.019 50 40 GDGB O=C(CCl)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 12310314 QKRUWUHDNPDJSJ-UHFFFAOYSA-N 375.795 1.237 50 40 GDGB Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccccc2O)C1=O 106379406 JYXGVWVPWMNWCX-RNDVCUHJSA-N 380.360 1.315 50 40 GDGB CCOc1c(Br)cc(C(=O)NNC(=O)c2cnccn2)cc1OC 11221695 MMPNRBOSKQPIJG-UHFFFAOYSA-N 395.213 1.721 50 40 GDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1 409151272 ACTARNUAFSECNY-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccco1)OCc1ccccc1 408986712 DCKDAIJLIVPAQY-CBVHTYNASA-N 381.392 1.991 50 40 GDGB CC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 6347809 SKJBHVUURWEIGN-UHFFFAOYSA-N 389.795 1.916 50 40 GDGB Cc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)cc1 7939965 HEKZZAMLTAKVTP-UHFFFAOYSA-N 383.404 1.718 50 40 GDGB CCOc1ccc(N([C@@H](C)C(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)cc1 57294214 XKNAKWVPXPNOKK-AWEZNQCLSA-N 396.513 1.438 50 40 GDGB CCOC(=O)CS[C@@H]1NC(Cl)=C(C#N)[C@](C#N)(C(N)=O)C1(CC)CC 22172487 SRVUTYKQMBPSJG-GOEBONIOSA-N 384.889 1.988 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc(OC)c1OC 1005766 FZDDGHCWRUGOFN-VXGBXAGGSA-N 380.397 1.364 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(N)=O)cc2)cc1 2777190 HCMVSNFLMRKHLU-VCHYOVAHSA-N 376.394 1.415 50 40 GDGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 58913993 TVCJCVJWEXHCOS-XKZIYDEJSA-N 386.452 1.706 50 40 GDGB COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)C(=O)N1CCOCC1 104813356 APOWJFRIZYPFNX-RGVLZGJSSA-N 396.831 1.028 50 40 GDGB Cc1ccc(S(=O)(=O)NNC(=O)CN2C(=O)COc3ccccc32)c(C)c1 12947970 YRGCDYWRLROEDS-UHFFFAOYSA-N 389.433 1.039 50 40 GDGB Cc1cccc(OCC(=O)NNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 13055717 ORNVVMBDMFFGFM-UHFFFAOYSA-N 392.433 1.545 50 40 GDGB CCS(=O)(=O)[C@@H](I)C(=O)c1ccc([N+](=O)[O-])cc1 96517950 QJCAZGYACDLWAW-SNVBAGLBSA-N 383.163 1.973 50 40 GDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)N/N=C/c1cc([N+](=O)[O-])ccc1O 3027133 AGXAWFUOKZXSAF-GDWCLCACSA-N 388.296 1.581 50 40 GDGB N#C/C(=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)NCc1ccco1 20403634 DYIBFZYYPHNIQJ-SAPNQHFASA-N 394.431 1.850 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1O 6544540 DIANDZJRJYQCEA-VXLYETTFSA-N 395.412 1.311 50 40 GDGB Cc1cc2c(c(=O)n1CCN(C)C)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2249947 MNMONNGAFOVOJJ-SFHVURJKSA-N 394.431 1.665 50 40 GDGB COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(F)c(C(=O)O)c2)c1 12765633 DWDRGHDBPMNCET-UHFFFAOYSA-N 398.368 1.164 50 40 GDGB COc1ccc(CN2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3)C2=O)cc1 38168998 SOEBPBOJTDXZLN-WJDWOHSUSA-N 394.387 1.932 50 40 GDGB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@H]2C)OCO4)c1O 5956859 JAONDLJNKHLARC-ORCHDJNQSA-N 387.392 1.789 50 40 GDGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 104465921 WCGPVUNESFNLML-UXEDPAHQSA-N 379.413 1.754 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 12563402 ZJKNMGWSVZVCEB-UHFFFAOYSA-N 386.433 1.760 50 40 GDGB CCCc1nnc(S)n1CC(=O)NNC(=O)c1ccc(OCC)c(OC)c1 12693883 RFULLYLNWVVEKD-UHFFFAOYSA-N 393.469 1.388 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1O 409137213 URJZKUCAFSWCJL-VXLYETTFSA-N 395.412 1.456 50 40 GDGB CN(C)c1ccc(C(=O)NN[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 101687212 TTWDNUSOZQVPAU-INIZCTEOSA-N 386.839 1.973 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1NC(C)=O 7428898 UCJIFFAQTSFIQK-UHFFFAOYSA-N 381.385 1.416 50 40 GDGB CO[C@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccccc1 95464985 HFODIWNUWGGRCF-ZDUSSCGKSA-N 391.287 1.201 50 40 GDGB Cc1nc2ccc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2nc1C 13001459 PPLYLMNNGRKZDP-GOSISDBHSA-N 378.388 1.848 50 40 GDGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(Br)cc1 107826155 HCWFYCLQARCMQW-UKJIMTQDSA-N 379.210 1.733 50 40 GDGB C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 59503049 RRHACTYLWBQGIS-QGOAFFKASA-N 390.421 1.901 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 20060349 AZHZYGVCGBTVGX-XDHOZWIPSA-N 391.449 1.620 50 40 GDGB C#CCOc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1OCC 59247029 PWUJWNGAWAHKMO-NDENLUEZSA-N 379.844 1.533 50 40 GDGB COc1ccc(CC(=O)NN[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1441520 ALPOSKBHYCZBLK-MRXNPFEDSA-N 387.823 1.844 50 40 GDGB N#CCCCN1C(=O)/C(=N\NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 6062575 PXLSNDUZDVHQBW-GREXYARLSA-N 390.399 1.997 50 40 GDGB CCOC(=O)Cc1n[nH]c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 6499315 LILOENSWCWHNFU-MRXNPFEDSA-N 384.392 1.751 50 40 GDGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)CN2C(=O)COc3ccccc32)c1 7404339 JXUBOFCEWJUPQF-UHFFFAOYSA-N 389.433 1.039 50 40 GDGB Cc1ccc(C(=O)NCC(=O)NNC(=O)CNc2nc3ccccc3s2)cc1 32855923 AWQFDXPFHPURGM-UHFFFAOYSA-N 397.460 1.594 50 40 GDGB Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1800482 DOTYHYYPERTVQC-UHFFFAOYSA-N 388.336 1.960 50 40 GDGB Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 3204997 XCXZOPCGORSETB-LDADJPATSA-N 377.422 1.373 50 40 GDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccco1 52410975 CGOBANZTNNGHLI-JTQLQIEISA-N 392.209 1.856 50 40 GDGB O=C(NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1cc(Br)c[nH]1 45077379 WRGUWSNACVDETP-ZDUSSCGKSA-N 395.188 1.871 50 40 GDGB COc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(C)=O)C2=O)cc1 2276332 DSGHDFRLFTYEIZ-LCYFTJDESA-N 379.463 1.454 50 40 GDGB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NNc1c(F)c(F)cc(F)c1F 5902143 YURNSSNBSACSSZ-UHFFFAOYSA-N 382.273 1.390 50 40 GDGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 7386804 JRUBTESTFHJQJT-UHFFFAOYSA-N 376.360 1.528 50 40 GDGB O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cc(Br)c[nH]1 28481317 IRRNBHYASXVQBW-VIFPVBQESA-N 395.213 1.180 50 40 GDGB CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)C(=O)NC(C)(C)C 100922274 FYNHIFGLBLJMLW-SSDVNMTOSA-N 375.429 1.380 50 40 GDGB CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)CC)s2)cc1O 408732343 UUPBSUYLRYTDDZ-RQZCQDPDSA-N 377.426 1.684 50 40 GDGB CN1C(=O)C(=C2C[C@@H](c3ccccc3)N(C(=O)CCl)N2)C(=O)N(C)C1=O 5400016 KUKDZUSFBRUIRU-LBPRGKRZSA-N 376.800 1.008 50 40 GDGB O=C(O)[C@H]1C[C@H](S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](Cl)C[C@H]1C(=O)O 6668752 LPWQPFFRSHPQJB-RHYQMDGZSA-N 391.785 1.540 50 40 GDGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Cl)c1OCC(=O)O 409040133 FQDNFUAZCXQVSS-QGMBQPNBSA-N 386.788 1.415 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccccc1O 16291253 BQIVVIORBMPLPE-ODLFYWEKSA-N 391.449 1.480 50 40 GDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)cc1 895356 BZYVXDNHEGLLKS-UHFFFAOYSA-N 392.433 1.560 50 40 GDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 32999507 WIBDBOXECJMZJA-OLZOCXBDSA-N 388.399 1.951 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccs2)cc1OC 6545064 OPPAMOFDCPQFIK-LICLKQGHSA-N 397.478 1.536 50 40 GDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1C 8993171 ZKBHRXMZNGUYPH-KWZJRMENSA-N 385.445 1.687 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 8982781 SDABWYGIZPIMEQ-UHFFFAOYSA-N 388.424 1.101 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 6430284 LSKFIUKMJOFYHK-YDZHTSKRSA-N 396.447 1.989 50 40 GDGB CCCNC(=O)C1CCN(C(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1 32907252 ZSFXQONZQHSTDE-UHFFFAOYSA-N 396.875 1.941 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCNC(=O)c1ccccc1 6786240 FFPPOBWHRYYEOJ-UHFFFAOYSA-N 375.812 1.930 50 40 GDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1F 9482886 LEDPKIJRYPRREY-CJAAZZPWSA-N 389.408 1.517 50 40 GDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 104312193 UQCPNGCQHMOTCM-LGMDPLHJSA-N 388.383 1.868 50 40 GDGB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccccc3)C2=O)c1 6200202 LQWSVXGEDMCMMR-BBJIBYMTSA-N 380.360 1.310 50 40 GDGB CCOc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c1O 6539420 RZRXLHJDTWZFCW-WOJGMQOQSA-N 377.422 1.220 50 40 GDGB O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)NNC(=O)c1ccccc1 8036358 WGCNIZQCIPIKPM-OAHLLOKOSA-N 387.436 1.172 50 40 GDGB CC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 10871806 TUIMVAYLXMITGC-UHFFFAOYSA-N 389.795 1.916 50 40 GDGB CCNC(=O)/C(C#N)=C/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 9419772 WCGCOIXNUNCODR-KKWLMUFRSA-N 390.490 1.305 50 40 GDGB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 26692801 XAMWLRWDCNNPNW-HOTGVXAUSA-N 387.392 1.021 50 40 GDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2F)c2ccccc21 5739117 JQZGWQAXWMPTRA-MOHJPFBDSA-N 382.395 1.833 50 40 GDGB O=C(CN1C(=O)COc2ccccc21)NNS(=O)(=O)c1cccc(Cl)c1 7404336 VMUGJRZTMQCUCE-UHFFFAOYSA-N 395.824 1.075 50 40 GDGB COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 409368721 JSLKNOFTPDBYOO-LICLKQGHSA-N 392.393 1.032 50 40 GDGB CC(C)C(=O)N(NC(=O)c1cccnc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100128070 IDZSPXZWVVEMLH-MRXNPFEDSA-N 398.394 1.682 50 40 GDGB Cc1ccn(CC(=O)NNC(=S)Nc2cnn(Cc3ccccc3C)c2)n1 2797813 XAWYIBGPUQKMNL-UHFFFAOYSA-N 383.481 1.763 50 40 GDGB Cc1ccc2c(c1)nnn2C1CCN(CC(=O)NNC(=O)c2ccco2)CC1 4968186 UBEUPRAXQBVXBK-UHFFFAOYSA-N 382.424 1.431 50 40 GDGB Cc1cc(C(=O)NNc2nnc(C(C)(C)C)c(=O)n2N)c(C)n1-c1ccccc1 6584488 WMDDBZYLUUESKY-UHFFFAOYSA-N 395.467 1.814 50 40 GDGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN)c(C)c1 8333510 RRRPJVCVQRUBFE-UHFFFAOYSA-N 375.494 1.835 50 40 GDGB COc1ccc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)c(OC)c1OC 13759436 KCZLOVYAIFIVAQ-CAOOACKPSA-N 377.357 1.276 50 40 GDGB O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)CN1CCCc2ccccc21 5689627 OYRHIXCMOFBZAY-UHFFFAOYSA-N 381.432 1.601 50 40 GDGB N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n1 408720978 HPEWWYXJMHZWFC-VXLYETTFSA-N 376.336 1.270 50 40 GDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1cc(F)c(F)cc1C 4473629 PIUJCHSTNXJIOH-FBCYGCLPSA-N 376.327 1.282 50 40 GDGB C[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)COc1ccc(Br)cc1 6640248 YBRRKUOEFSLAHC-SKDRFNHKSA-N 385.214 1.175 50 40 GDGB CCCOCC[C@H](CCl)OC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 59568393 YGHFYZCFORVIPI-VWYCJHECSA-N 378.343 1.706 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408537366 VNLYQISRZILDHJ-LVCCCOBOSA-N 382.420 1.594 50 40 GDGB COc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccccc2)cc1 3500776 OEUSTYSFMOMGGG-UHFFFAOYSA-N 384.421 1.224 50 40 GDGB Cn1c(CBr)c(C(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 2377790 XFGQREYQRZZCRB-UHFFFAOYSA-N 382.170 1.118 50 40 GDGB NC(=O)COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1 408765182 ZWGHSXJEOMAZEJ-FOKLQQMPSA-N 378.388 1.628 50 40 GDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 5774744 INMDGAMBZDSFEL-UDWIEESQSA-N 383.429 1.974 50 40 GDGB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 3088660 IFPZZZCYDGLPNN-FHXOWUIVSA-N 390.421 1.720 50 40 GDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 101315571 NXFTZIPINQAKHS-INGRWJPNSA-N 390.889 1.704 50 40 GDGB CCn1nc(C(=O)NNC(=O)CCC(=O)c2cccs2)c2ccccc2c1=O 6454627 XTJMYQRCVDTECD-UHFFFAOYSA-N 398.444 1.902 50 40 GDGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)cc1 4553353 QGCFACOSMYGUAU-WSDLNYQXSA-N 394.431 1.741 50 40 GDGB COCCOC(=O)/C(C#N)=C/c1cc(Br)c(N2CCOCC2)o1 408933340 ASMINYRVHRHWHV-DHZHZOJOSA-N 385.214 1.975 50 40 GDGB COc1ccc(CC(=O)N/N=C2\C(=O)N(CN(C)C)c3ccccc32)cc1OC 20826977 AKKZRHLHGJPSGL-ATJXCDBQSA-N 396.447 1.633 50 40 GDGB O=C(O)CCN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O 169619901 FHBPPJNBSKRQRH-UNVKCDIFSA-N 395.047 1.239 50 40 GDGB Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)[C@H](NC(N)=O)C(C)C 27202362 SGGAMEAXNVPZIP-WCQYABFASA-N 384.864 1.564 50 40 GDGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3OC)CC2=O)cc1 408614472 CPFFTICFLHRDOV-AWEZNQCLSA-N 397.431 1.908 50 40 GDGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@H](OC(=O)[C@H](C)CC)[C@H]12 255897356 KZJNKSIORXDWKH-TZNATJBVSA-N 378.421 1.241 50 40 GDGB biogenic,in-vitro C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 958318584 KZJNKSIORXDWKH-FKHNRKFTSA-N 378.421 1.241 50 40 GDGB biogenic,in-vitro CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1 8571354 RMRDQVBVHUQAOY-SSDVNMTOSA-N 398.419 1.217 50 40 GDGB Cc1nnc(NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc1O 22476526 LLXZCIIEZFVJPQ-UHFFFAOYSA-N 376.376 1.497 50 40 GDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)c1 408778283 CUFBGEYJSOIELR-LICLKQGHSA-N 381.410 1.213 50 40 GDGB COc1ccc(/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 100958985 VNDFNMZVHFKIJC-BRYYZUPOSA-N 386.429 1.475 50 40 GDGB COCCOc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 23143927 MFISJPQWVCEOGX-UHFFFAOYSA-N 394.405 1.064 50 40 GDGB COc1ccc(CC(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 12739969 HILNYFGIDIBOTG-OAHLLOKOSA-N 385.420 1.531 50 40 GDGB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CI)cc21 408534259 PZOBKTLORUXKET-UHFFFAOYSA-N 390.137 1.159 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 6953909 FWJJENKXZUAJES-FSJBWODESA-N 396.447 1.907 50 40 GDGB Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccccn2)cc1Cl 4680940 DYURYIYKAWGGEK-UHFFFAOYSA-N 376.800 1.460 50 40 GDGB Cc1cc(C)n(CC(=O)NNC(=O)COc2ccc(F)cc2Br)n1 5704525 DKXGPXXZCGKTNI-UHFFFAOYSA-N 399.220 1.628 50 40 GDGB Cc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c1 409008743 DPWAPSQMMRJVHQ-HMAPJEAMSA-N 381.432 1.997 50 40 GDGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)c1 20060333 VEBXVRFLQWTOSR-DEDYPNTBSA-N 388.493 1.977 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(F)cc2)c1-c1cccs1 2451155 KTUITTURXZZPKE-UFWORHAWSA-N 398.383 1.864 50 40 GDGB Cc1cc2c(c(=O)n1C)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C(C#N)=C(N)O2 20086781 PWOXFSUMYHXCNH-HNNXBMFYSA-N 382.332 1.549 50 40 GDGB CCCCNC(=O)NNc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1 2631224 ZEALRPRUOGAMFF-UHFFFAOYSA-N 397.457 1.275 50 40 GDGB O=C(C[C@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1ccc(F)c(F)c1 14134915 FRBPUCKKUPVQID-ZLAIJAOWSA-N 396.357 1.641 50 40 GDGB O=C(NN/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O)c1ccncc1 9122182 OJFFOPQHFWMUAN-LCYFTJDESA-N 385.767 1.977 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1cc2c(s1)CCC2 23015434 CQSINQUJVJRDAV-UHFFFAOYSA-N 390.442 1.967 50 40 GDGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 408719850 NIAXCXOGWVRLCC-HYARGMPZSA-N 397.431 1.697 50 40 GDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc(Cl)c([N+](=O)[O-])c1 101119259 ZGQHNQSDKHXUNA-CPNJWEJPSA-N 377.744 1.217 50 40 GDGB CC(=O)N1CCc2cc(S(=O)(=O)NNC(=O)c3ccc(Cl)cc3)ccc21 8475357 DXVFGFMAGDTUHH-UHFFFAOYSA-N 393.852 1.872 50 40 GDGB O=C(NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccncc1 15273327 NCABDSIPOYITAZ-UHFFFAOYSA-N 385.383 1.856 50 40 GDGB CCCOCC[C@@H](CCl)OC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 59568392 YGHFYZCFORVIPI-DCAQKATOSA-N 378.343 1.706 50 40 GDGB C=CCn1c(SCC(=O)NNC(=O)OC(C)C)nc2sccc2c1=O 58147927 FDALDIOIGQGKKW-UHFFFAOYSA-N 382.467 1.902 50 40 GDGB CN(NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21 1461757 LNPLOYIULHRVBA-CYBMUJFWSA-N 398.444 1.152 50 40 GDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c(OC)c1OC 2209936 NYYCYOWKEDCBOY-HNNXBMFYSA-N 383.404 1.938 50 40 GDGB Cc1ccc(CNC(=O)NNC(=O)Cc2csc(N3CCOCC3)n2)cc1 12846799 XVTAWKBGDCPZIB-UHFFFAOYSA-N 389.481 1.361 50 40 GDGB COc1cccc(N(CC(=O)N/N=C/c2ccccc2OC)S(C)(=O)=O)c1 408771339 FUWLEVXMDHMUKR-XDHOZWIPSA-N 391.449 1.620 50 40 GDGB C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cnnn2)c1 25762511 QAIMEOMLABOKLJ-XDHOZWIPSA-N 381.352 1.490 50 40 GDGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c(=O)c1C#N 98087297 YMOLTNXEVOGMCK-ODCIPOBUSA-N 382.376 1.054 50 40 GDGB Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(O)cc1 2520705 ZMQDWLYFYJLZEU-KEBDBYFISA-N 390.363 1.369 50 40 GDGB Cc1cc(C)n2c(SCC(=O)NNC(=O)c3ccc(Cl)cc3)nnc2n1 2619348 RBFLIHQQSKSDAW-UHFFFAOYSA-N 390.856 1.948 50 40 GDGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 102799421 PJICLZBEYVBXMT-CIKSETCGSA-N 378.388 1.967 50 40 GDGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccco2)cc1OC 4950476 AOTRXDOOVLNLAD-SOFGYWHQSA-N 375.406 1.646 50 40 GDGB COc1cc2c3c(c1OC)C1(C=CC(=NNC(N)=O)C=C1)C[C@@H]3N(C(C)=O)CC2 792619 COKUUANUJGEIPE-ZDGMYTEDSA-N 396.447 1.941 50 40 GDGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 7958683 PANNFLINQIASCY-HNNXBMFYSA-N 388.445 1.315 50 40 GDGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3cccc(F)c3)C(=O)NC2=S)cc1 408753479 JAJOVBXVPRRQEZ-IZBZYRJBSA-N 398.419 1.914 50 40 GDGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccncc2)S(C)(=O)=O)cc1 20214728 QVURGRQTAKCMBW-HCZVKUGISA-N 376.438 1.395 50 40 GDGB CCOc1ncccc1CNC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1 40068850 ZLPWNRJVPTWLGV-UHFFFAOYSA-N 398.398 1.949 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1OC 19953919 NBQOMNRAZGOMNU-XDHOZWIPSA-N 391.449 1.620 50 40 GDGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)c1OC 9742700 BFIJRXBCENZRSO-MRXNPFEDSA-N 383.404 1.384 50 40 GDGB COc1ccnc(NNC(=O)/C=C/c2ccc(S(=O)(=O)NC3CC3)cc2)n1 32168391 HRRLOZQTUNXTEL-RUDMXATFSA-N 389.437 1.082 50 40 GDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc(O)c1 23382720 BPWSWLMABNOHOM-FYJGNVAPSA-N 383.404 1.394 50 40 GDGB O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2 4504269 RLFYOXZAHAKTME-UHMVQQAOSA-N 396.359 1.303 50 40 GDGB Cc1ccc(SCC(=O)NNC(=O)CNC(=O)c2ccccc2F)cc1 7652973 UYLCCGCOICPTCP-UHFFFAOYSA-N 375.425 1.804 50 40 GDGB COc1c(/C=N/NC(=O)c2nonc2N)cc(Br)cc1[N+](=O)[O-] 408720005 IQKDSSDVZDTEHV-LNKIKWGQSA-N 385.134 1.095 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)cc1Cl 408776931 SSLPGWWYQGKPIE-RQZCQDPDSA-N 385.829 1.858 50 40 GDGB O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2 4504261 RLFYOXZAHAKTME-XATXHBIVSA-N 396.359 1.303 50 40 GDGB Cc1ccccc1C(=O)NNC(=O)CSc1nnnn1[C@H]1C[C@@H]2CC[C@@H]1C2 100163218 VOCXIHABSFEGLC-NFAWXSAZSA-N 386.481 1.896 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 409025873 ZCXYZOXTJYFUER-VCHYOVAHSA-N 394.384 1.650 50 40 GDGB Cn1c(CC(=O)NNC(=O)C[C@H]2OC(=O)c3ccccc32)nc2ccccc21 15910317 LJZMJGAILRTOQB-MRXNPFEDSA-N 378.388 1.565 50 40 GDGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccccn1)S(C)(=O)=O 20210439 DWEJSWMWJFXSEH-XDHOZWIPSA-N 376.438 1.397 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3ccoc3)C2)cc1 17399395 ORRGYINDEAVZHG-CQSZACIVSA-N 391.449 1.450 50 40 GDGB Cn1ncc2c(=O)n(CC(=O)NN(Cc3ccccc3)c3ccccc3)cnc21 32256176 MPPZASHNSGSICT-UHFFFAOYSA-N 388.431 1.868 50 40 GDGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccoc3)nnn2-c2nonc2N)cc1 2234315 QUUOMJXMRBGFLQ-UFWORHAWSA-N 378.352 1.565 50 40 GDGB CCn1nc(C(=O)NNC(=O)CCOc2ccccc2F)c2ccccc2c1=O 17189633 BLNHTOPKHXEOMC-UHFFFAOYSA-N 398.394 1.786 50 40 GDGB O=C(NNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1 89873125 HURROYRGYPDWPJ-UHFFFAOYSA-N 386.389 1.907 50 40 GDGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc(O)cc1 13524286 ABVOFARNOYTFSU-FVOVHSBVSA-N 382.401 1.172 50 40 GDGB CCn1c(SCC(=O)NNC(=O)c2ccc(OC)cc2)nnc1C(C)C 1364202 XXJZBBWHQKWPKP-UHFFFAOYSA-N 377.470 1.983 50 40 GDGB Cc1cc(C)n2nc(C(=O)N/N=C/c3cc(Br)ccc3O)nc2n1 1081767 YCLANDMWCSRGCS-REZTVBANSA-N 389.213 1.973 50 40 GDGB C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccccc1O 409134907 OOQTXKJVWKGAGV-XDHOZWIPSA-N 379.413 1.838 50 40 GDGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(C)(=O)=O 408921026 BKEUTBRHMGZXIL-YBFXNURJSA-N 379.413 1.751 50 40 GDGB COc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1[N+](=O)[O-] 32118892 QGWCHILZGXZYHS-UHFFFAOYSA-N 380.407 1.614 50 40 GDGB O=C1OC(=O)[C@@H]2[C@@H]3[C@@H](C(c4ccccc4)=C[C@@H]12)[C@@H]1C=C[C@@H]3[C@H]2C(=O)OC(=O)[C@H]12 104081612 XIASFWIVHIGEDQ-HUJONRGZSA-N 376.364 1.763 50 40 GDGB O=C1N=C(O)N(c2ccccc2Cl)C(=O)/C1=C\NNC(=O)c1ccccc1 17123983 VGZBVYLJLLGUAK-BENRWUELSA-N 384.779 1.946 50 40 GDGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)sc2c1CCC2 2405205 PODQGKSPCOJXEX-DJKKODMXSA-N 387.417 1.818 50 40 GDGB CNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@H](C)C2)nc2c(C)cccn2c1=O 18062378 JYKUMLRFGBKRAV-OTNVUEBDSA-N 381.436 1.270 50 40 GDGB C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)C(C#N)=C1Nc3ccccc3N1)CS2 6511745 LNXBQQFJONFMLZ-IFXJQAMLSA-N 398.444 1.825 50 40 GDGB O=C(COCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1cccnc1 4696025 RFCYNMPICXPXAI-UHFFFAOYSA-N 396.325 1.517 50 40 GDGB C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 97212947 NZGSVIUALPKHDV-LEWSCRJBSA-N 375.812 1.441 50 40 GDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccn1 17329045 JLKYWBRKFCXVCO-NSHDSACASA-N 392.337 1.915 50 40 GDGB CC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 4195955 BIWLLQGIGFILFH-UHFFFAOYSA-N 378.366 1.177 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OC)cc1 6953951 ATMGEKFMHHZEDS-WSDLNYQXSA-N 398.419 1.299 50 40 GDGB CCS(=O)(=O)/N=C1/C=C(NNC(=O)c2ccccc2)C(=O)C2=C1CC=CC2 101181561 BVCHCEJTMYMXMG-JWGURIENSA-N 385.445 1.825 50 40 GDGB CCCOc1ccccc1OCC(=O)NNC(=O)COc1ccccc1C#N 15978073 QZBQADZMXQYHOK-UHFFFAOYSA-N 383.404 1.952 50 40 GDGB O=C(CN1CCOCC1)N/N=C/c1cc2cc([N+](=O)[O-])ccc2nc1Cl 408728662 QYBMEVHEQVPDJR-GIJQJNRQSA-N 377.788 1.579 50 40 GDGB CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC 8088409 NVFQVKVTJFYRJR-WSDLNYQXSA-N 382.420 1.463 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)[C@H]1COc2ccccc2O1 2647710 CEZUHFAYTHEOGT-CQSZACIVSA-N 386.788 1.629 50 40 GDGB O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1coc(=O)c(Br)c1 2371296 GXZAHPVPEKCBCP-RYUDHWBXSA-N 377.194 1.967 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2F)c1-c1cccs1 2449458 MWZHRSWMGHYMNE-UFWORHAWSA-N 398.383 1.864 50 40 GDGB N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(F)c2)c2ccccc21 6140312 QZEFRJYKFGGCAM-BWAHOGKJSA-N 393.378 1.336 50 40 GDGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)N1CCOCC1 409372950 TUBNAMFECJJAQT-SFQUDFHCSA-N 399.447 1.462 50 40 GDGB COc1cc(Br)c(/C=N/NC(=O)CN2CCOCC2)cc1OC 33694421 PMHDJAAOLMMDNF-RQZCQDPDSA-N 386.246 1.249 50 40 GDGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C\c1cccnc1 5050302 ONEFTZLJBAVKKL-XKZIYDEJSA-N 395.444 1.822 50 40 GDGB O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 15018678 LNDABMYDNHQYRL-FYJGNVAPSA-N 398.419 1.956 50 40 GDGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccncc1 59459504 LCAHQEWTCJZHBK-KEBDBYFISA-N 391.225 1.619 50 40 GDGB CCCn1nc(C(=O)NNC(=O)Cn2nc(C)cc2C)c2ccccc2c1=O 6999978 NBCYVXBHWAGLDK-UHFFFAOYSA-N 382.424 1.081 50 40 GDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1 223158581 IBLRBXHDBFOJLO-JAIQZWGSSA-N 385.376 1.579 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1 6953926 AMQMDQKZCGFELJ-FSJBWODESA-N 396.447 1.907 50 40 GDGB CN(C)N(C(=O)COc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 12684772 SJNYNKVXRCTAAX-LBPRGKRZSA-N 391.287 1.320 50 40 GDGB COc1ccc(OCC(=O)NNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 6588822 RBKIGYPZZPCPRK-UHFFFAOYSA-N 383.404 1.662 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC 5670088 DJMNJUJFFVGDLL-INIZCTEOSA-N 388.376 1.313 50 40 GDGB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccccc3)C2=O)cc1 408530267 DQHIHYURWKHYFC-PZUDMAOCSA-N 380.360 1.310 50 40 GDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c(C)c1 24556738 RNXWARVZQOYYRL-CQSZACIVSA-N 395.415 1.846 50 40 GDGB CN(c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1)S(C)(=O)=O 409121444 VEIKJHVJEUCXKG-GZTJUZNOSA-N 376.394 1.755 50 40 GDGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)ccc1O 408733087 VVWGHQBWRBBJNX-DJKKODMXSA-N 386.799 1.858 50 40 GDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(O)c(OC)c2)c1C#N 408735550 SEQSHRIHGPLCRW-ZVBGSRNCSA-N 384.392 1.651 50 40 GDGB CCn1nc(C(=O)NNC(=O)Cc2ccc3c(c2)CCC3)c2ccccc2c1=O 13009531 BOUIWINLRGTCHY-UHFFFAOYSA-N 390.443 1.909 50 40 GDGB CC(=O)N1CCC(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)CC1 14244855 KVLPIEDJVXIGBE-UHFFFAOYSA-N 388.251 1.778 50 40 GDGB Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408967445 ROMGVVXQJQLBQS-WSDLNYQXSA-N 397.460 1.900 50 40 GDGB COc1ccc2c(c1)[n+]([O-])c(/C(C)=N/NC(=O)c1ccccc1O)c(C)[n+]2[O-] 5722124 RCPHSWPYBOFZEQ-RGVLZGJSSA-N 382.376 1.283 50 40 GDGB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 26692808 XAMWLRWDCNNPNW-CVEARBPZSA-N 387.392 1.021 50 40 GDGB O=C(NNc1nc2ccccc2nc1NNC(=O)C(F)(F)F)C(F)(F)F 3012974 JUDJZGPDVQLXOL-UHFFFAOYSA-N 382.224 1.641 50 40 GDGB COc1ccc(CCNC(=S)NNC(=O)[C@H]2COc3ccccc3O2)cc1 8390016 JCWODXBWYNSYNF-QGZVFWFLSA-N 387.461 1.573 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCn2cccc2[C@H]1C 24968753 LVBVVIATRGTSAH-GFCCVEGCSA-N 376.844 1.988 50 40 GDGB CCOC(=O)[C@@H]1CCCN(c2nc3ccccn3c(=O)c2C=C(C#N)C#N)C1 2413669 CEIVMFYMBFEBBI-OAHLLOKOSA-N 377.404 1.905 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCO2 14021220 ADASRULXHJSIRX-UHFFFAOYSA-N 399.222 1.801 50 40 GDGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2cccc(Br)c2)n1 7386842 CAOVTHRGAYZGIT-UHFFFAOYSA-N 387.259 1.272 50 40 GDGB CCCc1c(C(=O)N/N=C/c2ccc(OC(C)C)cc2)nnn1-c1nonc1N 2446240 QWRQIIMPZJFPON-KEBDBYFISA-N 398.427 1.736 50 40 GDGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=S)NCCCN1CCOCC1 35679008 XFWIPMWXYJKMCK-UHFFFAOYSA-N 394.585 1.811 50 40 GDGB O=C(NN[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)c1ccncc1 2427836 PKNWFTRXFUVBAI-CYBMUJFWSA-N 379.203 1.955 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 13135739 VITLLAKWXNKKBP-RYUDHWBXSA-N 391.811 1.061 50 40 GDGB O=C(NNC(=O)[C@H]1CC=CCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 14244362 RTVXDUFKWHGMAI-AWEZNQCLSA-N 377.466 1.588 50 40 GDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc(Cl)cc1Cl 409376874 DQTUMPBUIXXHJO-YRORDHRNSA-N 385.203 1.799 50 40 GDGB COCCn1c(C)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 4186378 LDNNCZYWRAINKS-UHFFFAOYSA-N 383.861 1.440 50 40 GDGB Cc1cc(C)nc(SCC(=O)NNC(=O)CN2CCCc3ccccc32)n1 6652465 DADAKMOKECXPFL-UHFFFAOYSA-N 385.493 1.786 50 40 GDGB CN1Cc2c(N3CCOCC3)nc3sc(C(=O)NN)c(N)c3c2CC1(C)C 20264237 AHFLIZRVMUZZTG-UHFFFAOYSA-N 390.513 1.085 50 40 GDGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)CCc2ccccc2)c2ccccc21 5668287 XHXUWWJSURFBGQ-DAFNUICNSA-N 390.443 1.789 50 40 GDGB O=C(CSc1nnc(-c2ccco2)o1)NNC(=O)c1ccc([N+](=O)[O-])cc1 9493165 PCGWUGZDVCXHRD-UHFFFAOYSA-N 389.349 1.791 50 40 GDGB CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1nc[nH]n1 6843608 FMXAAPHYWNHGGO-UBKPWBPPSA-N 396.201 1.273 50 40 GDGB CC(=O)Nc1ccc(C(=O)NNC(=O)CCC(=O)OCCc2ccccc2)cc1 8555286 GRDGTXXVAYMHPC-UHFFFAOYSA-N 397.431 1.972 50 40 GDGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 4427813 YVMQPWTYVIUFIU-MRXNPFEDSA-N 384.392 1.751 50 40 GDGB COc1cc(C(=O)NCC(=O)N/N=C(\C)c2ccco2)cc(OC)c1OC 4808469 GSSOPGPVAJWHGI-RGVLZGJSSA-N 375.381 1.576 50 40 GDGB COc1ccc(/C=N\NC(=O)COCC(=O)N/N=C\c2ccc(OC)cc2)cc1 31769621 MYRLLPKHDCFZNW-IINORCHSSA-N 398.419 1.321 50 40 GDGB C[C@@H](Br)CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 4314057 NZAGOZLDUKZZMA-RXMQYKEDSA-N 380.040 1.359 50 40 GDGB COc1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 1037201 ULZNEPMGYKXAFE-UHFFFAOYSA-N 375.337 1.695 50 40 GDGB Cc1ccccc1NC(=O)[C@@H]1C(=O)N(c2ccccc2C)C(=O)/C1=N/NC(N)=O 104282626 WUXOSWOZTOAZIG-BXDHAIISSA-N 393.403 1.456 50 40 GDGB CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)c2ccccc2Cl)CC1 58264036 QWTQIKPSGXCTFQ-UHFFFAOYSA-N 387.889 1.599 50 40 GDGB CCCCC(=O)NN/C=C1/C(=O)NC(=S)N(c2ccccc2OC)C1=O 2216906 RKDLUJXVGBDMLS-KHPPLWFESA-N 376.438 1.138 50 40 GDGB CCOC(=O)[C@H]1CCCN(c2nc3ccccn3c(=O)c2C=C(C#N)C#N)C1 2413668 CEIVMFYMBFEBBI-HNNXBMFYSA-N 377.404 1.905 50 40 GDGB CN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2cc(Br)ccc21 18192109 HUCHTYKKCRPRGX-WBFOAEISSA-N 388.221 1.979 50 40 GDGB N#CC1=C(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 89788187 NOSOHTVMBLAUHB-UHFFFAOYSA-N 384.392 1.791 50 40 GDGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)c3cccc(O)c3)C(=O)NC2=S)cc1 408758301 IOERCXBLIIVVKU-IXJMWADBSA-N 396.428 1.480 50 40 GDGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 31637486 HRRIYVDFEDAVAJ-BUOZRGFLSA-N 384.308 1.103 50 40 GDGB CC(=O)N[C@H](C(=O)O)C(C)(C)SSC(C)(C)[C@H](NC(C)=O)C(=O)O 95908987 TYARMXWNXXYBMN-NXEZZACHSA-N 380.488 1.104 50 40 GDGB COCc1[nH]nc2c1[C@@H](c1cc(OC)c3c(c1OC)OCO3)C(C#N)=C(N)O2 15106058 ZEXGZTUJJBIDIC-LBPRGKRZSA-N 386.364 1.520 50 40 GDGB CCc1cccc2c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cn(CC(N)=O)c12 6568121 XHZAHROHHUKEAI-FVLHSZHDSA-N 380.448 1.891 50 40 GDGB Cc1c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)sc2ncn(C)c(=O)c12 24455424 SGGPVFXLRXQNPT-UHFFFAOYSA-N 395.444 1.788 50 40 GDGB O=C(COc1ccccc1F)NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 8733909 MSKBVNWDCBKRHW-GFCCVEGCSA-N 375.331 1.617 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2c1OCCO2)c1ccccc1 20207439 RQICAPQXZYCNLF-XDHOZWIPSA-N 389.433 1.374 50 40 GDGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc([N+](=O)[O-])c1O 18039882 USGCQPUIRWKYRG-FRKPEAEDSA-N 376.281 1.687 50 40 GDGB CCOC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N[C@@]1(C)NC2=C(C#N)C#N 100253701 ZSXYJYXZWGNNMC-BZLDKRAPSA-N 393.447 1.382 50 40 GDGB C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)COc1ccccc1Cl)CS2 32971056 PXRNJCDCDNOKQT-MEDUHNTESA-N 383.857 1.320 50 40 GDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2sccc2C)CC1 408975145 IHVIBPLVFDSCPD-DEDYPNTBSA-N 386.477 1.864 50 40 GDGB COc1cccc(OC)c1C(=O)NC(=S)NNC(=O)Cc1cccs1 18194265 DNNFILDAHNLSBI-UHFFFAOYSA-N 379.463 1.644 50 40 GDGB O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 96013247 PNGBKJIXWIYJJY-UHFFFAOYSA-N 383.795 1.925 50 40 GDGB COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCC(=O)OC(C)C 408600945 HNEUAFPSGRGTNP-YBEGLDIGSA-N 388.420 1.791 50 40 GDGB COc1ccccc1-n1nc(C(=O)N/N=C\c2cccnc2)c(C)c(C#N)c1=O 409052395 DOAYTUNSOXQRQZ-FMCGGJTJSA-N 388.387 1.580 50 40 GDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3219092 OFKCIHHRXFNQOL-CQSZACIVSA-N 388.292 1.104 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccs2)c1-c1cccs1 2449167 DZCWNAMURCVSNJ-FRKPEAEDSA-N 386.422 1.786 50 40 GDGB CCOc1cc(C(=O)NNC(=S)NC[C@H]2CCCO2)ccc1OC(F)F 6554052 HCCOCJZJWLYVMS-LLVKDONJSA-N 389.424 1.975 50 40 GDGB O=C(N/N=C\[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc(O)cc1 4738962 ABVOFARNOYTFSU-SAGYFLTASA-N 382.401 1.172 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccncc2)c1-c1cccs1 9479217 ZBLGDRIZDBETGD-QGMBQPNBSA-N 381.381 1.120 50 40 GDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(C(=O)O)cc2)cc1 39986610 XLGJYBJKNDZQDH-ODLFYWEKSA-N 389.433 1.464 50 40 GDGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C 58911639 SVXVZVRXUQXJEP-SRZZPIQSSA-N 376.844 1.960 50 40 GDGB O=C(Cc1nnc(=O)[nH]c1O)N/N=C/c1ccc(OCc2ccccc2)cc1 945004 IZAQSBMXKDUKEZ-RGVLZGJSSA-N 379.376 1.142 50 40 GDGB O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 15018721 GDRPGKUVLJBQII-LPYMAVHISA-N 397.431 1.746 50 40 GDGB CN1CCN(S(=O)(=O)C[C@@]2(C)[C@H]3CC[C@@]2(C)C(=O)[C@H]3Br)CC1 244983749 IPLUOSAUUKDXNT-JURCDPSOSA-N 393.347 1.332 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2F)cc1 6544689 JJRIQRCTEHEYRH-YBFXNURJSA-N 379.413 1.605 50 40 GDGB CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21 989393 BTEXGNXTHPXFOQ-OAQYLSRUSA-N 393.399 1.565 50 40 GDGB O=C(Cc1cn2ccsc2n1)NNS(=O)(=O)c1ccc2c(c1)CCC2 7409642 QSOHPELCCUQGCM-UHFFFAOYSA-N 376.463 1.437 50 40 GDGB O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccccn1 7652996 CHGHRHALXSOUHR-UHFFFAOYSA-N 391.225 1.425 50 40 GDGB C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)C(=O)NCC(C)C 5481741 ANXDEJBCKIAHTI-FSJBWODESA-N 376.501 1.582 50 40 GDGB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC(=O)N/N=C1\C(=O)Nc3ccccc31)C2=O 6257809 AZBHGPGUNOTXGL-YEJXKQKISA-N 396.447 1.660 50 40 GDGB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)/C(C#N)=C(/C)N)nnc12 104401534 RXMUNJVYTXMNRJ-QBFSEMIESA-N 380.433 1.648 50 40 GDGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1[N+](=O)[O-] 1902324 GEMIAAUYAPTROC-KGENOOAVSA-N 381.436 1.863 50 40 GDGB CCn1c(NNC(=O)c2ccc(-n3cncn3)cc2)nc2ccccc2c1=O 8993938 FKITUTKLPKXKEX-UHFFFAOYSA-N 375.392 1.754 50 40 GDGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4471301 ZJLFXGLVMRESMV-LPKQHDGYSA-N 386.364 1.600 50 40 GDGB Cn1c(SCC(=O)NNC(=O)c2ccccc2O)nnc1-c1ccccc1 39703884 KJNLGZZADDACOL-UHFFFAOYSA-N 383.433 1.741 50 40 GDGB O=S1(=O)CC=C(NC(=S)OCC(Br)Br)C1 100850608 NVILYKDJSJINOI-UHFFFAOYSA-N 379.095 1.306 50 40 GDGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccccn1 59515611 OJCKVYOUOGZVSO-AWQFTUOYSA-N 391.225 1.619 50 40 GDGB Cn1nc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1=O 7379958 YRCQKLKPNVVJIM-UHFFFAOYSA-N 392.824 1.210 50 40 GDGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 408536537 RVPATSAOXISYNJ-ANKPHQHTSA-N 384.779 1.955 50 40 GDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2C(=O)O)cc1 16309263 RAKWPAXJCSETOH-ODLFYWEKSA-N 389.433 1.464 50 40 GDGB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3)C2=O)cc1 100118429 MREQDZLANPBCTK-MRXNPFEDSA-N 381.388 1.430 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1 14245583 JBNDIYWMDROXQL-SFHVURJKSA-N 383.404 1.660 50 40 GDGB Cc1ccc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(C)c1 14802560 UPBZPQYXKGWMTQ-JLTOFOAXSA-N 386.452 1.565 50 40 GDGB COc1cc(/C=N\NC(=O)c2cc(=O)[nH]c3ccccc23)c(O)c([N+](=O)[O-])c1 4468925 MACLGDAFPGOGFF-OCKHKDLRSA-N 382.332 1.914 50 40 GDGB O=C(Cc1ccc(Br)cc1)NNC(=O)[C@H]1COc2ccccc2O1 12932195 FFXHEWREBQDSII-OAHLLOKOSA-N 391.221 1.979 50 40 GDGB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4303736 ZYQSWUFUVGIGTA-SGPHBRAGSA-N 395.364 1.897 50 40 GDGB Cn1nc(C(=O)NNC(=O)CCc2ccccc2Cl)c2ccccc2c1=O 32992652 HEKMMQDNWIDYSO-UHFFFAOYSA-N 384.823 1.981 50 40 GDGB Cc1cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)c(C)o1 6508538 BTLWTIHABPYDJW-SNVBAGLBSA-N 383.401 1.164 50 40 GDGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)c3ccccc3O)C(=O)NC2=S)cc1 408763399 NWJKHLLHRLWYSW-DGURAOSJSA-N 396.428 1.480 50 40 GDGB COc1cc(C(=O)NNC(=O)COc2ccccc2C#N)cc(OC)c1OC 15978477 JMEKESRQLANPJV-UHFFFAOYSA-N 385.376 1.424 50 40 GDGB CCN(CC)c1ccc(C(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 32969041 KODULSLQNOSACR-DNVCBOLYSA-N 390.509 1.748 50 40 GDGB CCc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)cc1 7939978 RWEILMGRHHBXSC-UHFFFAOYSA-N 397.431 1.972 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 59434170 ZFLLUVFLDGFHCC-YBFXNURJSA-N 384.348 1.860 50 40 GDGB COC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@@H](C)C2)nc2c(C)cccn2c1=O 5529404 WPRUUYDQXUUIGS-WNMQVZLMSA-N 382.420 1.697 50 40 GDGB CC/C(NNC(=O)c1ccncc1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 9359923 RBXRAJMQQJZWFC-JQIJEIRASA-N 393.403 1.572 50 40 GDGB CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409379515 WZDVZTRADURLBJ-RQZCQDPDSA-N 384.230 1.157 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cccc(O)c1 33480951 RUBVDLCUCFLQLM-ODLFYWEKSA-N 391.449 1.480 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1 6879489 JHLPAEFTNXKPLV-ZVHZXABRSA-N 396.447 1.358 50 40 GDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 12947198 LOCXCXOZSYKPLO-UHFFFAOYSA-N 379.350 1.255 50 40 GDGB Cc1cc(C)c(N2C(=O)/C(=C\NNC(=O)c3ccncc3)C(=O)N=C2O)c(C)c1 17163321 VRMVSHOHANAVAR-GDNBJRDFSA-N 393.403 1.613 50 40 GDGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCO3)ccc1Cl 3068780 WAUCKYSGTSXENV-ODCIPOBUSA-N 389.795 1.957 50 40 GDGB COc1cc([C@@H]2C(=O)[C@H](Cl)N2Nc2nc(C)cc(=O)[nH]2)cc(OC)c1OC 16958251 MJJGZYDLKPNHOD-CZUORRHYSA-N 394.815 1.622 50 40 GDGB COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)COc1ccc(Cl)cc1 4833065 MJAYKSVSWMXNOV-UHFFFAOYSA-N 391.811 1.822 50 40 GDGB COCCn1c(C)cc2c(c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 2214441 ZIRRDNADADTUAX-MRXNPFEDSA-N 382.376 1.930 50 40 GDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(OC[C@@H]2CCCO2)cc1 12941823 VSODGKGUVWJZGJ-LPHOPBHVSA-N 398.415 1.845 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1)C1CCCCC1 35339473 BIMZJFUSJQGENK-BOPFTXTBSA-N 382.442 1.639 50 40 GDGB O=C(C[C@@H]1NC(Cc2ccccc2)=NNC1=O)N/N=C/c1ccc([N+](=O)[O-])cc1 9008231 GCBAOYXQHLMONL-DORSJAEJSA-N 394.391 1.079 50 40 GDGB Cc1cccc(Cn2c(SC[C@H](O)CCl)nc3c2c(=O)[nH]c(=O)n3C)c1 839490 MJLHBPJOVKNMJV-GFCCVEGCSA-N 394.884 1.472 50 40 GDGB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)NNC(=O)c1ccccc1 8036906 SBRXWDISSAVJOM-AWEZNQCLSA-N 399.378 1.183 50 40 GDGB CC(=O)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)CN3CCOCC3)c2C)cc1 59246429 FHUUTGURLPANRC-XKZIYDEJSA-N 398.463 1.802 50 40 GDGB O=C(O)CCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 1895019 UJRZEIOSYLWMKO-UHFFFAOYSA-N 395.209 1.993 50 40 GDGB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccccc1 4564499 MZESVBQKCJVTRA-ATVHPVEESA-N 381.388 1.168 50 40 GDGB CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O 4474724 NNXRWUXXFDXFQC-ZWPWWNDZSA-N 381.454 1.288 50 40 GDGB CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c1 28664032 XDPVSKBGFASTPJ-OAHLLOKOSA-N 384.436 1.659 50 40 GDGB CO[C@H]1C[C@@H](NC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@@H](CBr)O1 4568295 JZLAUALBZXMLIS-KBUPBQIOSA-N 386.242 1.873 50 40 GDGB in-vitro CCc1nc2ccccc2n1CC(=O)NNC(=O)CNC(=O)c1ccc(C)s1 9721714 XSUUKBCIJZIJCU-UHFFFAOYSA-N 399.476 1.546 50 40 GDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 8369224 ROZQRBDXSUHAMM-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB N#Cc1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 2636737 FSUKCAUKNCHSQQ-UHFFFAOYSA-N 377.448 1.532 50 40 GDGB CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=S)N[C@H](C)c2ccccc2)C1 103084784 FRXRBAZLZGZPLI-HIFRSBDPSA-N 398.554 1.305 50 40 GDGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccc(O)cc2)c(C)c1 6607290 MBWOKTKHHPYYHD-VXLYETTFSA-N 375.450 1.746 50 40 GDGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)c1 5065812 WLGBXCWTVZUBFI-GOSISDBHSA-N 380.448 1.945 50 40 GDGB CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)Cc1ccc(F)cc1)C2=O 15765338 UDLJSHZJEYWLME-UHFFFAOYSA-N 390.415 1.016 50 40 GDGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)c(O)c([N+](=O)[O-])c1 409040069 FLOOZJDYGPDRGQ-FRKPEAEDSA-N 376.281 1.687 50 40 GDGB Cc1ccc(S(=O)(=O)NNC(=O)c2c(O)n(C)c3ccccc3c2=O)cc1 5442958 ZZPZCKHBJMRSQJ-UHFFFAOYSA-N 387.417 1.176 50 40 GDGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c1O 32528778 FZVNXKVSEDZKLA-OSKGYPLHSA-N 398.375 1.289 50 40 GDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 101314345 WZDZKFOXTBKTQD-LWPKIGSASA-N 376.862 1.662 50 40 GDGB O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)C1CC1 1347119 ROYMKEJHKIHBON-LBPRGKRZSA-N 385.873 1.298 50 40 GDGB CCCn1nc(C(=O)NNC(=O)c2cccc(OC)c2)c2ccccc2c1=O 6258539 OSWASIDAXNHBHD-UHFFFAOYSA-N 380.404 1.890 50 40 GDGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(CC(=O)OC)c1ccccc12 1255465 HGFQSNOHMYIEKF-HXUWFJFHSA-N 397.387 1.005 50 40 GDGB CSc1ccccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 12801204 FDESWZJUDZWMHG-UHFFFAOYSA-N 378.479 1.776 50 40 GDGB CC(C)n1nc(C(=O)NNC(=O)c2n[nH]c3ccccc23)c2ccccc2c1=O 15945859 OCAIZADNTUFIBC-UHFFFAOYSA-N 390.403 1.929 50 40 GDGB COc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408534882 MUHGGPWXSPXKAV-FPQGOQEYSA-N 394.387 1.618 50 40 GDGB NC(=O)COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 409264315 DKZLSSLWJBUACR-UWVJOHFNSA-N 376.756 1.876 50 40 GDGB C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](O)[C@H](OC(=O)[C@H](C)CC)[C@H]12 958318585 KZJNKSIORXDWKH-VGLCKJCNSA-N 378.421 1.241 50 40 GDGB biogenic,in-vitro CCn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1ccncc1 886916 MCPKTUPBSNNYGC-UHFFFAOYSA-N 382.449 1.913 50 40 GDGB CCOC(=O)N[P@@](=O)(NC(=O)NOC)NC(=O)OC(CCl)CCl 100342517 DYCMMAKTNUUHMP-QHCPKHFHSA-N 395.136 1.274 50 40 GDGB CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 6691043 DCOFXCBWUDPCJR-IBGZPJMESA-N 379.376 1.000 50 40 GDGB COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(CS(C)(=O)=O)c2)c1 7976509 OADVCZXWKVKTIK-UHFFFAOYSA-N 392.433 1.323 50 40 GDGB COc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)cc1 408648566 ZGRBDJATSQZWFY-UHFFFAOYSA-N 399.403 1.418 50 40 GDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccccc2F)CC1 2174042 GEYFNRACGAEUHG-HYARGMPZSA-N 384.411 1.633 50 40 GDGB Cc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C(C)C)cc1 12531314 SSLKSSXTKANRRO-KRWDZBQOSA-N 397.479 1.813 50 40 GDGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccn1)S(C)(=O)=O 20212445 OLSZRZBQIARCDV-VXLYETTFSA-N 380.857 1.960 50 40 GDGB O=C(N/N=C/c1ccccn1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408968936 DCDRGVMAPFLTHJ-FYJGNVAPSA-N 390.440 1.772 50 40 GDGB O=C(NNS(=O)(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 585138448 RAZNTWTZSAWHLO-UHFFFAOYSA-N 380.382 1.750 50 40 GDGB CN(C)c1ncnc2cc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc12 78939004 ZFCWOBNMKXSKKZ-KRWDZBQOSA-N 393.403 1.297 50 40 GDGB CN(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 6544463 IHXWYKSAFBROCT-GZTJUZNOSA-N 376.394 1.366 50 40 GDGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)c3ccc(C#N)cc3)ccc12 5273087 VYVPOUPAMCKASX-UHFFFAOYSA-N 377.356 1.813 50 40 GDGB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NNC(=O)c1ccccc1 4676455 VUSWLYPAVKEKSJ-UHFFFAOYSA-N 398.438 1.716 50 40 GDGB Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccc(N(C)C)cc2)cc1 4676746 BYADSIDPAKVEGS-UHFFFAOYSA-N 384.436 1.477 50 40 GDGB CC(C)Oc1ccc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 15480613 SXZUSKRONKSYFF-HOTGVXAUSA-N 385.420 1.186 50 40 GDGB O=C(N/N=C\C=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 9846717 VUGAENDHFBFHSQ-ZZDPWUPLSA-N 384.308 1.634 50 40 GDGB CC1=C(C#N)C(=O)NC(=O)/C1=N/Nc1ccc(Br)cc1C(=O)O 101125513 RLELZKAYMYXQMK-YBFXNURJSA-N 377.154 1.412 50 40 GDGB O=C(COc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915733 PUXRYJFBFFYZON-DEDYPNTBSA-N 384.392 1.961 50 40 GDGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 20213503 UJHAOCUFCRELOC-HYARGMPZSA-N 395.444 1.822 50 40 GDGB N#C/C(C(=O)N1CCOCC1)=C1/N=C(NC(=O)c2ccccc2)c2ccccc21 5246553 CTCSLGQNFDPOHZ-HNENSFHCSA-N 386.411 1.970 50 40 GDGB COc1cc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc2c1OCO2 4396662 MERFWIICGLAQAY-YJBOKZPZSA-N 389.415 1.779 50 40 GDGB COc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 6053985 USKVNYOYWVMQKG-JXMROGBWSA-N 399.359 1.621 50 40 GDGB CCCc1c(C(=O)N/N=C(\C)c2ccc3c(c2)OCO3)nnn1-c1nonc1N 9210729 REPQCZMRMIKNLE-DJKKODMXSA-N 398.383 1.068 50 40 GDGB COc1ccc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c(OC)c1 60369028 LZCFOQOBRALMNL-UHFFFAOYSA-N 391.449 1.901 50 40 GDGB CCOc1ccc(N([C@H](C)C(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)cc1 57294216 XKNAKWVPXPNOKK-CQSZACIVSA-N 396.513 1.438 50 40 GDGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 12619402 JGXQDWQZTWZWOQ-CAOOACKPSA-N 382.292 1.503 50 40 GDGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCOCC3)=C2C#N)cc1 409321312 FNTGALNWLHQSHD-HNNXBMFYSA-N 387.461 1.626 50 40 GDGB CCOC(=O)Cc1n[nH]c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 6499314 LILOENSWCWHNFU-INIZCTEOSA-N 384.392 1.751 50 40 GDGB Cc1cccc(N2C(=O)/C(=C/NNC(=O)c3ccncc3)C(O)=NC2=S)c1 4859816 LVQRAJXNCQIABC-GXDHUFHOSA-N 381.417 1.797 50 40 GDGB CCCc1c(C(=O)N/N=C(\CC)c2ccc(O)cc2)nnn1-c1nonc1N 9242347 SEDYMKOEZHDSQC-XDHOZWIPSA-N 384.400 1.435 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)C3CCC3)C2)cc1 8352079 HBIIYSLIPBQCMV-HNNXBMFYSA-N 379.482 1.343 50 40 GDGB CO[C@@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2O[C@@H]1C1C(C#N)=C(N)SC(N)=C1C#N 20840668 VQNWGPRGHHAATM-FHIRATQRSA-N 390.465 1.553 50 40 GDGB COc1cccc(/C=C/C(=O)NNC(=O)Cc2nc3ccccc3[nH]2)c1OC 12625583 LXZGQKASFGWBHS-ZHACJKMWSA-N 380.404 1.983 50 40 GDGB CC(C)CNC(=O)[C@H]1[C@H](C(=O)O)[C@H]2O[C@H]1[C@@H](Br)[C@H]2Br 104381377 ZDZWEWTVAKKSLP-IWSVPVBZSA-N 399.079 1.384 50 40 GDGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 408972486 UKDJYIXFUAQCHD-RIDKEVFESA-N 386.427 1.979 50 40 GDGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1O 408735021 JNJHEIORNRDEDR-RQZCQDPDSA-N 386.246 1.336 50 40 GDGB CC(C)CNC(=O)[C@@H]1[C@H]2O[C@@H]([C@H](Br)[C@@H]2Br)[C@@H]1C(=O)O 104381383 ZDZWEWTVAKKSLP-HDBWYCHPSA-N 399.079 1.384 50 40 GDGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 8778202 WMRCAJQDZLCSIH-UHFFFAOYSA-N 387.417 1.588 50 40 GDGB COc1cc(C(=O)NNC(=O)CN2CCc3ccccc3C2)cc(OC)c1OC 14197236 QDSIVZONEKPBAZ-UHFFFAOYSA-N 399.447 1.532 50 40 GDGB CC(C)C(=O)N(NC(=O)c1cccnc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 2433147 IDZSPXZWVVEMLH-INIZCTEOSA-N 398.394 1.682 50 40 GDGB O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)c1ccc(F)cc1 4677692 DYFCQUWCOVXXMW-UHFFFAOYSA-N 398.438 1.716 50 40 GDGB COc1ccc(CC(=O)N/N=C2/C(=O)N(CN(C)C)c3ccccc32)cc1OC 100306613 AKKZRHLHGJPSGL-BSYVCWPDSA-N 396.447 1.633 50 40 GDGB CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1O 6539409 DNOFACXXRLSVHL-XDHOZWIPSA-N 391.449 1.562 50 40 GDGB CCOC(=O)N[P@](=O)(NC(=O)NOC)NC(=O)OC(CCl)CCl 100342523 DYCMMAKTNUUHMP-HSZRJFAPSA-N 395.136 1.274 50 40 GDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3OC)CC2=O)cc1 68933367 AOZVGOHBLWTYIE-CYBMUJFWSA-N 383.404 1.518 50 40 GDGB COc1cc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 1603925 ACDYWAIEHULRGT-UHFFFAOYSA-N 380.422 1.644 50 40 GDGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)CNc1ccc2c(c1)OCO2 6951989 OKKFIEFWERPTJF-SSDVNMTOSA-N 381.388 1.998 50 40 GDGB Cc1csc(=O)n1CC(=O)NNS(=O)(=O)c1ccc(Cl)c(Cl)c1 12973627 WDXOBPHLUHQDFO-UHFFFAOYSA-N 396.277 1.535 50 40 GDGB CNC(=O)NNC(=O)c1cc(Cl)c(I)cc1OC 48950159 XPVRAYWMSSJAGH-UHFFFAOYSA-N 383.573 1.527 50 40 GDGB Cc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 14199294 DRDCMTOAHLXJOK-ZDUSSCGKSA-N 387.461 1.780 50 40 GDGB COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 6905888 CLWGVHOUMHNPPI-UHFFFAOYSA-N 381.366 1.235 50 40 GDGB CCOC(=O)CCC(=O)NNC(=O)c1ccccc1I 1794709 FUOZBRMSVMGPTB-UHFFFAOYSA-N 390.177 1.396 50 40 GDGB Cc1cc2c(c(=O)n1CCN(C)C)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2249948 MNMONNGAFOVOJJ-GOSISDBHSA-N 394.431 1.665 50 40 GDGB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c1C 12857202 RDFXPHYRZXZEMU-UHFFFAOYSA-N 393.377 1.564 50 40 GDGB NC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)COc1ccccc1Cl 6557956 XWYLQIWYLLMONI-AWEZNQCLSA-N 390.827 1.146 50 40 GDGB CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1O)S(C)(=O)=O 408790998 VAXGDPYGSJGSKB-XDHOZWIPSA-N 375.450 1.871 50 40 GDGB CC[C@@H](NNC(=O)CN1C(=O)COc2ccccc21)C(=O)Nc1ccccc1 9689673 ZJHLSBVQGAFXCW-OAHLLOKOSA-N 382.420 1.450 50 40 GDGB CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)C1 30576463 WVXPWIKHGVNISY-QWHCGFSZSA-N 381.404 1.609 50 40 GDGB COCCn1c(C)cc2c(c1=O)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2236575 KSIIKTHEVXESNU-QGZVFWFLSA-N 381.388 1.750 50 40 GDGB COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O1 808909 BIGDOHCORBQBOV-HNNXBMFYSA-N 386.360 1.271 50 40 GDGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cccc(F)c1 408742646 XKZWYQOFETWHML-ANKPHQHTSA-N 384.392 1.605 50 40 GDGB CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21 989394 BTEXGNXTHPXFOQ-NRFANRHFSA-N 393.399 1.565 50 40 GDGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 58885102 BXLYKYNZEZEKFM-RQZCQDPDSA-N 387.308 1.600 50 40 GDGB COC(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2)c2ccccc21 18254644 WDEGTFRNCOYINA-QOCHGBHMSA-N 381.388 1.414 50 40 GDGB Cc1ccc(C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)cc1 14200269 ZMECOXKLHDWXHB-HNNXBMFYSA-N 395.506 1.821 50 40 GDGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 7384528 WWFAGYQOHBBYSR-UHFFFAOYSA-N 396.494 1.220 50 40 GDGB Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1C 32971061 UVKZRKSMVWNAFH-KSSFIOAISA-N 377.466 1.284 50 40 GDGB Cc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 8413610 PHPZQNLOBVWHBG-UHFFFAOYSA-N 383.404 1.718 50 40 GDGB CC(C)(C)NS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccccc2)c1 12784757 JOAFDIWEAAIHPR-UHFFFAOYSA-N 389.477 1.767 50 40 GDGB COc1cccc(/C=C/C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1OC 12781563 FWJSFNNSCVHONK-DVQDXYAYSA-N 384.388 1.704 50 40 GDGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)CC2=O)cc1 12809203 NCSGBTCSBXNGOX-KDOFPFPSSA-N 395.415 1.335 50 40 GDGB CSc1nnc(SCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1 36219805 ZYIRTNKMZQOIPC-UHFFFAOYSA-N 385.452 1.722 50 40 GDGB Cn1nc(C(=O)NNC(=O)[C@]2(C)OCCc3ccccc32)c2ccccc2c1=O 1618235373 ZBIUOIIFKKZGQD-OAQYLSRUSA-N 392.415 1.183 50 40 GDGB Nc1nnnn1CC(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 6861965 ZAGDQAPWHQEWSB-IFRROFPPSA-N 379.302 1.684 50 40 GDGB CCCc1c(C(=O)N/N=C/c2c(F)cccc2Cl)nnn1-c1nonc1N 2442391 UEYMVQAUFFBUET-FBCYGCLPSA-N 392.782 1.741 50 40 GDGB COc1cccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1O 408908211 VQCBOAFPTSFBQB-HCZVKUGISA-N 391.449 1.706 50 40 GDGB COC(=O)c1ccccc1S(=O)(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 6579673 GMFPPLQDHIYIKQ-UHFFFAOYSA-N 392.477 1.999 50 40 GDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccccn1 9307535 PDZOPUAMVCGWGE-DJKKODMXSA-N 395.408 1.510 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C 8369237 NYURVCDACCRODY-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB COc1ccc(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1O 102304803 HNHXCAUCSZPOCZ-WSVATBPTSA-N 385.336 1.911 50 40 GDGB Cc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)n2N)cc1 3542286 CKLBRPAOVMCTIW-UHFFFAOYSA-N 382.449 1.521 50 40 GDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc1 2257209 JYZDDKZSQSMGTA-SFHVURJKSA-N 380.448 1.945 50 40 GDGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)CNc2ccccc2C)c2ccccc21 18285751 HQALVYKCUPARMR-HIXSDJFHSA-N 394.431 1.837 50 40 GDGB COc1ccc(/C(C)=N/NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)cc1[N+](=O)[O-] 4471666 HLSGNUQOGBMMPL-PSMLCYRYSA-N 396.403 1.973 50 40 GDGB Cc1occc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 6944636 WDSSUYZRUSNUOE-GFCCVEGCSA-N 385.376 1.173 50 40 GDGB C=CCN1C(=O)c2ccc(C(=O)NNC(=S)NCc3ccccc3)cc2C1=O 14840770 STMCSRCHUPYRRM-UHFFFAOYSA-N 394.456 1.778 50 40 GDGB O=C(NNC(=O)[C@@H]1CCCO1)c1nn(-c2ccccc2)c(=O)c2ccccc12 10417915 VQFXCQIMUGVTIE-INIZCTEOSA-N 378.388 1.326 50 40 GDGB CC(=O)N(NC(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 852952 HAXLLCGCQUGUEI-UHFFFAOYSA-N 377.378 1.785 50 40 GDGB CCn1c(O)c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)c2ccccc21 5477488 VDTQJCVWGREOHD-UHFFFAOYSA-N 396.359 1.710 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 6578709 UWCFUWLSVGUXIA-UFFVCSGVSA-N 388.811 1.554 50 40 GDGB COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCCO3)c1O 5501258 QIJJFZZIEKYEMB-UFFVCSGVSA-N 385.376 1.052 50 40 GDGB CCCc1c(/C=N/NC(=O)[C@@H]2CCCNC2=O)c(OC)c2c(c1OC)OCO2 15085387 ALNYYEYWAWLXKD-PITUFAOZSA-N 391.424 1.361 50 40 GDGB CCCCNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C 8681016 AJROVUWRGYOUKB-UHFFFAOYSA-N 376.324 1.948 50 40 GDGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)NC1CCCC1 5567070 XHYJEOYMZMRRAU-REZTVBANSA-N 382.214 1.687 50 40 GDGB Cc1cc(C)nc(NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)n1 12949040 UOIBTCKGPSRTPJ-HNNXBMFYSA-N 375.454 1.390 50 40 GDGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)cc1 20059193 PGBYFRFSOUEYEM-WOJGMQOQSA-N 390.421 1.820 50 40 GDGB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 3088662 IFPZZZCYDGLPNN-VBEHJTROSA-N 390.421 1.720 50 40 GDGB O=C(CNc1ccccc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4357463 ZVCLSVDZSIKWLH-FYJGNVAPSA-N 383.408 1.994 50 40 GDGB Cc1ccc2c(CC(=O)NNC(=O)C[C@H]3CCS(=O)(=O)C3)coc2c1C 7819547 DMUYHWKQAFUZRS-CYBMUJFWSA-N 378.450 1.564 50 40 GDGB Cc1noc(-c2ccc(C(=O)OCC(=O)NNC(=O)c3ccccc3)cc2)n1 22829635 TXSOBAQNKJSUNA-UHFFFAOYSA-N 380.360 1.663 50 40 GDGB CN(C)N(C(=O)/C=C/c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 8939256 OTZLUARXRDGKDM-UZYOAWRESA-N 387.299 1.955 50 40 GDGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccn1)S(C)(=O)=O 20212042 CUGUUSKJISWWKG-VXLYETTFSA-N 396.856 1.660 50 40 GDGB C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN 1558305 DZWKWCBOUNMSHQ-ABAIWWIYSA-N 389.456 1.098 50 40 GDGB CCOc1cc(C(=O)NNC(=O)c2ccc(=O)[nH]n2)cc(OCC)c1OCC 12809194 FLZKOEJVQZGUTA-UHFFFAOYSA-N 390.396 1.041 50 40 GDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCNCC1)c1cccc([N+](=O)[O-])c1 15134157 YQRYOWPNCJYJJJ-UDWIEESQSA-N 398.379 1.677 50 40 GDGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O 263594391 CJOSHSDHCPNMOJ-BTABJRDXSA-N 381.509 1.050 50 40 GDGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(Br)cc12 705588 CMGYXHVXLGDKEF-MRXNPFEDSA-N 390.193 1.810 50 40 GDGB O=C(O)[C@H]1Sc2[nH]c(=O)sc2[C@@H]2c3cc([N+](=O)[O-])ccc3OC(=O)[C@@H]12 9361095 XIPVJQCDBDFGPS-MRTMQBJTSA-N 380.359 1.571 50 40 GDGB N#CC(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)=C1Nc2ccccc2N1 6537893 FYAPOAOMWDRXIX-UHFFFAOYSA-N 380.385 1.673 50 40 GDGB Cn1cc(C(=O)NNC(=O)CCn2c(=O)oc3ccccc32)c2ccccc21 15093147 DUGFKEPLUAUUHH-UHFFFAOYSA-N 378.388 1.938 50 40 GDGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)CCl)s2)ccc1O 408732287 TWIITNWKDFVBRG-FRKPEAEDSA-N 383.817 1.122 50 40 GDGB N#Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2cc3ccccc3[nH]2)cc1 199422564 VXUWJMVSGBVRTF-UHFFFAOYSA-N 391.387 1.456 50 40 GDGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccccc1F 15231441 NRCQLANSVVYNGX-IMQYADFFSA-N 386.427 1.979 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 6430300 UVPHKPMRKLGGTN-LPYMAVHISA-N 382.420 1.680 50 40 GDGB CCn1nc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)c2ccccc2c1=O 6454577 QKSUIHSVOJHXMJ-UHFFFAOYSA-N 394.431 1.873 50 40 GDGB COc1cc(C(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)cc(OC)c1OC 22633106 KFFCPAAJYJHOEY-LZYBPNLTSA-N 384.366 1.316 50 40 GDGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc(N2CCOCC2)cc1 3242285 HIYKXPSWUCKZAM-SRZZPIQSSA-N 381.358 1.889 50 40 GDGB O=C(CSc1nc2ccccc2s1)NNC(=O)C[C@H]1SC(=O)NC1=O 2200184 DVCGQNQJDBSZKO-SECBINFHSA-N 396.475 1.278 50 40 GDGB CC(C)(C)c1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)OCCO3)[nH]n1 71280040 MVTXHFDPJQINGZ-UHFFFAOYSA-N 380.426 1.102 50 40 GDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1F 9482884 LEDPKIJRYPRREY-OJLMPMFISA-N 389.408 1.517 50 40 GDGB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccccc3)C2=O)cc1 17170599 MTRBLYNEOALWDB-HXUWFJFHSA-N 380.404 1.223 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cccs1 16291267 LFMWHTBPONRTRW-YVLHZVERSA-N 381.479 1.836 50 40 GDGB CN(C)N(C(=O)Cc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 57868523 SPBYJCYLDUVQRE-CYBMUJFWSA-N 375.288 1.484 50 40 GDGB COc1ccc(CCNC(=O)NNC(=O)Cc2ccc(F)cc2)cc1OC 10036452 IPSKCSAFPDRPET-UHFFFAOYSA-N 375.400 1.959 50 40 GDGB O=C(CCC(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)NCc1ccccc1 6864181 MKUWCWBOMRTTNZ-HUUCEWRRSA-N 375.425 1.121 50 40 GDGB CN1C(=O)c2cccc3c(S(=O)(=O)NNC(=O)c4ccc(O)cc4)ccc1c23 41091307 FDOWWLNFVONTTR-UHFFFAOYSA-N 397.412 1.759 50 40 GDGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2)cc1C 3452775 MQDZQYWXSAFXGA-UHFFFAOYSA-N 375.450 1.433 50 40 GDGB C=CCN1C(=O)NC(=O)/C(=C(/CC)NNC(=O)c2ccccc2Cl)C1=O 9332072 GFBBNCDNRKRXEY-OUKQBFOZSA-N 376.800 1.503 50 40 GDGB O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 26530348 LGLRCNUVPUJQGK-ZDUSSCGKSA-N 389.383 1.497 50 40 GDGB COc1cc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)cc(OC)c1OC 59515318 NAARVRAMDLSFCM-OEAKJJBVSA-N 399.447 1.912 50 40 GDGB Cc1ccc(/C(=N/NC(=O)c2ccccc2O)C23CN4CN(CN(C4)C2)C3)cc1 96236194 LRQYPIUQJKRZOT-ATJXCDBQSA-N 391.475 1.640 50 40 GDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 101314343 WZDZKFOXTBKTQD-AAGTZJIKSA-N 376.862 1.662 50 40 GDGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408727061 POULRMDCWOXBQM-CNHKJKLMSA-N 387.308 1.794 50 40 GDGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccccc1F 8274520 ILPYRZAPOCSKDG-UHFFFAOYSA-N 384.161 1.372 50 40 GDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccs3)CC2=O)c(OC)c1 12910293 XECVCIAKVHOKRZ-LLVKDONJSA-N 389.433 1.579 50 40 GDGB Cc1ccc(S(=O)(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1 4575649 SWRSTZNSIODHDI-UHFFFAOYSA-N 375.450 1.401 50 40 GDGB CN1C(=O)C(=C2C[C@H](c3ccccc3)N(C(=O)CCl)N2)C(=O)N(C)C1=O 5400014 KUKDZUSFBRUIRU-GFCCVEGCSA-N 376.800 1.008 50 40 GDGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(N)=O)NC(=O)[C@H]1C(=O)OC 9374190 UHSGIZIMIHBINJ-CABCVRRESA-N 389.433 1.042 50 40 GDGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccnc3)o2)cc1 877843 MLPPHQIFLIWFNF-UHFFFAOYSA-N 385.405 1.694 50 40 GDGB IC[C@H]1OO[C@@H]1[C@H]1OO[C@H]1CI 104055839 MJPRKZQWHUKEGW-FSIIMWSLSA-N 397.934 1.254 50 40 GDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccco3)nnn2-c2nonc2N)c1 9307851 SLYDARSTWJLYBP-DJKKODMXSA-N 394.351 1.265 50 40 GDGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 263594392 CJOSHSDHCPNMOJ-NFOTXUCKSA-N 381.509 1.050 50 40 GDGB CCCc1c(C(=O)N/N=C/c2cc(Cl)ccc2O)nnn1-c1nonc1N 1739065 FRTIPHDNNBAVIW-CNHKJKLMSA-N 390.791 1.308 50 40 GDGB COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccs2)c2ccccc21 5205757 BJUDBQYAKPNOTD-PEZBUJJGSA-N 380.429 1.936 50 40 GDGB COc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 108341359 NKVJBALLJPCOJU-XYHOIZSOSA-N 394.387 1.618 50 40 GDGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(CC(=O)OC)c32)c2ccccc21 5185153 DPWWRQGBRUYWCN-FQEVSTJZSA-N 391.387 1.030 50 40 GDGB C[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccc2c(c1)OCO2 6778410 IYOGMEJPORAEMW-JTQLQIEISA-N 389.795 1.648 50 40 GDGB CC(=O)c1ccc(NC(=O)/C(Cc2ccccn2)=N/NC(=O)C[N+](C)(C)C)cc1 17211632 BQHOCYHBVRHGRF-UHFFFAOYSA-O 396.471 1.644 50 40 GDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(F)cc1 974535 FWAYNSIGARNSFP-ZVBGSRNCSA-N 379.355 1.958 50 40 GDGB Cc1cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1CCCl 10104415 LYIMDWYRLVCSOG-UHFFFAOYSA-N 385.855 1.939 50 40 GDGB CCOC(OCC)c1nnc(SCC(=O)NNC(=O)c2ccccc2)n1C 95460173 XNJNJQDGWRYLEZ-UHFFFAOYSA-N 393.469 1.440 50 40 GDGB COc1ccc(CN2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101318576 JQMXTRCHNWNODS-YXEAAEFPSA-N 388.898 1.531 50 40 GDGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)cc1 409261680 CSBZLEHXSUFJJL-WSDLNYQXSA-N 394.431 1.741 50 40 GDGB COc1cccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(N(C)C)c3)CC2=O)c1 12539329 PAYNPACWZOLQSK-HNNXBMFYSA-N 396.447 1.575 50 40 GDGB Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)c(C)c1 100571992 BLVSBPHTZBWBDT-CQSZACIVSA-N 382.376 1.778 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccccc1F 16291251 PTTRNTCKWLZTKA-JAIQZWGSSA-N 393.440 1.914 50 40 GDGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)C[C@H]1CCS(=O)(=O)C1 16222763 CCZUKOZEBNFBIB-SECBINFHSA-N 395.264 1.344 50 40 GDGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC(C)C)c2)cc1 6841383 RETYFHHRXDWIBW-WSDLNYQXSA-N 396.447 1.987 50 40 GDGB O=C(COc1cc(Cl)ccc1Cl)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 7128072 WDQUGDQTFMDLBR-VIFPVBQESA-N 395.264 1.344 50 40 GDGB O=C(COC(=O)c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(Cl)cc1 6059961 IKNVZOZPXCSOJL-UHFFFAOYSA-N 377.740 1.866 50 40 GDGB C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)COc1ccccc1Cl)CS2 32971054 PXRNJCDCDNOKQT-BDJLRTHQSA-N 383.857 1.320 50 40 GDGB CNC(=O)/C(C#N)=C/c1c(N2C[C@@H](C)O[C@H](C)C2)nc2c(C)cccn2c1=O 2203091 JYKUMLRFGBKRAV-RNRBBCFGSA-N 381.436 1.270 50 40 GDGB O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc2c(=O)n3c(nc2c1)CCC3 6981956 ABGOVMWPIRDKTF-UHFFFAOYSA-N 399.410 1.966 50 40 GDGB COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C1\C(=O)Nc2ccccc21 15884950 HWFYHMAOTHUDOZ-ZHACJKMWSA-N 378.388 1.297 50 40 GDGB O=C(NNC(=O)c1nc(N2CCOCC2)ncc1Cl)c1cccc(Cl)c1 40123101 LFKISGBCGSVNFV-UHFFFAOYSA-N 396.234 1.695 50 40 GDGB CC(C)(C)OC(=O)NN1C[C@@H](C(=O)NNC(=O)c2cccc(Cl)c2)CC1=O 78932168 DRICZKNVEKCREV-NSHDSACASA-N 396.831 1.389 50 40 GDGB O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O 100469045 PVJGDYDNVNCGBT-AVEWUGLUSA-N 379.848 1.285 50 40 GDGB in-vitro Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)C 27202368 SGGAMEAXNVPZIP-AAEUAGOBSA-N 384.864 1.564 50 40 GDGB COc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 15987638 MSZJRTDXXLPNIR-AWQFTUOYSA-N 397.395 1.952 50 40 GDGB CN(NC(=O)NCC(F)(F)F)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 97164993 KQKTXQTYCVBFJQ-UHFFFAOYSA-N 383.371 1.367 50 40 GDGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccc(O)cc1O 1953645 URLCTILXXAUTDO-VXLYETTFSA-N 397.416 1.894 50 40 GDGB Cc1ccc(CN2CCN(CC(=O)N/N=C3/C(=O)Nc4ccccc43)CC2)cc1 22862702 FYWGVXZCUSRMDF-UHFFFAOYSA-N 391.475 1.585 50 40 GDGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(OCC(N)=O)cc2)C(C#N)=C(N)O1 808937 CUGQBFBEOLWKKP-QGZVFWFLSA-N 385.420 1.974 50 40 GDGB O=C(CNC(=O)c1ccco1)NNC(=O)COc1cccc(C(F)(F)F)c1 12601558 WLOMTSYZWMUILL-UHFFFAOYSA-N 385.298 1.255 50 40 GDGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 5668276 RZQVGABEZVIJLJ-IKQLPNFSSA-N 388.427 1.869 50 40 GDGB COc1ccc(CNC(=O)NNC(=O)c2c(C)nc3ccccn23)cc1OC 9467392 STPDVOZVEKKEOI-UHFFFAOYSA-N 383.408 1.804 50 40 GDGB COc1ccc(C(=O)N/N=C2/C(=O)N(CN(C)C)c3ccccc32)cc1OC 100301806 VJPCFMRASRZCCF-DYTRJAOYSA-N 382.420 1.704 50 40 GDGB CCOc1cc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)cc(OCC)c1OCC 12785237 QURVKNUKJWRFCV-UHFFFAOYSA-N 389.408 1.646 50 40 GDGB COc1cccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)c1 9423616 ZTPYFNSCUNTPGH-RGEXLXHISA-N 396.447 1.532 50 40 GDGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccccc2O)cc1OC 59515323 FXUKCNAQKSGBRM-LPYMAVHISA-N 385.420 1.609 50 40 GDGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1 2393992 RRWXRMAUWCJPLJ-DJKKODMXSA-N 384.400 1.519 50 40 GDGB Cc1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccncc3)C2=O)cc1C 9361123 HMUAUSISSNDRLR-GDNBJRDFSA-N 379.376 1.940 50 40 GDGB O=C(CN1CCOCC1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 19855221 TXEAMESONVGKRI-FYJGNVAPSA-N 398.419 1.956 50 40 GDGB Cn1c(CC(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc21 6025450 UCTQJDQUJOEGEA-DHZHZOJOSA-N 379.376 1.885 50 40 GDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(O)cc1 9421993 GABNGJLLESRLIT-WPBJZHHJSA-N 387.417 1.084 50 40 GDGB COC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NC2CCCCC2)cc1 58873094 GNHHMOFNPFUOFW-NDENLUEZSA-N 375.425 1.528 50 40 GDGB N#CCCCN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 100433967 PXLSNDUZDVHQBW-BUIMCUSZSA-N 390.399 1.997 50 40 GDGB O=C(NNC(=O)c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 940865 ZXKYUHRNGRQDKI-UHFFFAOYSA-N 379.463 1.607 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 107763189 KYZYAKVKFMALBC-FPQGOQEYSA-N 378.388 1.918 50 40 GDGB COc1ccc(C(=O)NNC(=O)COCC(=O)N[C@H](C)c2ccccc2)cc1 4696085 BYCKHEPCETZRTI-CQSZACIVSA-N 385.420 1.350 50 40 GDGB O=C(NN/C=C1\C(=O)N(CCc2ccc(F)cc2)C(=O)N=C1O)c1ccncc1 9235889 KGCNNBPDTQBHKJ-PTNGSMBKSA-N 397.366 1.500 50 40 GDGB COC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408680076 CYYJSQOLGSVWSV-TVQXOTEMSA-N 394.221 1.983 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cccc(F)c1 39986648 BIQVRCYPMCHHLQ-JAIQZWGSSA-N 393.440 1.914 50 40 GDGB CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=S)NC(C)C)ccc1C 15876118 PDQBIYZUADKWCS-UHFFFAOYSA-N 386.543 1.543 50 40 GDGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCCOC)c2ccccc21 1781455 VTSLKKVLWKNHQZ-NRFANRHFSA-N 395.415 1.645 50 40 GDGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2O)s1 1953691 QYXCZZGYORMBAS-RQZCQDPDSA-N 377.426 1.771 50 40 GDGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3O)C2=O)cc1C 5025965 OWNNCKFUQWCMOM-XNTDXEJSSA-N 394.387 1.410 50 40 GDGB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O 408642552 OVKCUKXCBWYBMB-ZDUSSCGKSA-N 398.375 1.418 50 40 GDGB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)c1ccccc1 7940114 DWSATTYPLJZYHT-OAHLLOKOSA-N 381.388 1.044 50 40 GDGB CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1 13001659 INMIVQYCCAGABQ-UHFFFAOYSA-N 391.424 1.823 50 40 GDGB N=c1nn[nH]n1CC(=O)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408975572 NEFZEEMXHDHUNP-NGYBGAFCSA-N 380.195 1.803 50 40 GDGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 31636964 ZQUUQVPOSAMAQO-BUOZRGFLSA-N 384.308 1.103 50 40 GDGB CCOC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N[C@@]1(C)NC2=C(C#N)C#N 100253697 ZSXYJYXZWGNNMC-PZTGFMGMSA-N 393.447 1.382 50 40 GDGB Cc1c(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnn1-c1nonc1N 2331897 FTFWAXJETDFXOA-YAXRCOADSA-N 381.183 1.612 50 40 GDGB CCn1c(NNC(=O)CCCn2c(C)csc2=O)nc2ccccc2c1=O 32882297 CPHWBHMDMFSIPG-UHFFFAOYSA-N 387.465 1.872 50 40 GDGB CCNC(=S)NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 2632920 CFPWJIDWSPQTOV-UHFFFAOYSA-N 390.918 1.253 50 40 GDGB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)/C(=N/NC(C)=O)c2ccccc21 13120370 GNUNQIQUUMPTOZ-NDWLXSOOSA-N 395.371 1.760 50 40 GDGB O=C(NNC(=O)c1ccccn1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 7777029 WZPRIUKSPULXQT-UHFFFAOYSA-N 386.367 1.957 50 40 GDGB O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1 3112318 CTZNYXFOFGEQKA-SFQUDFHCSA-N 376.394 1.414 50 40 GDGB O=C(COc1nsnc1N1CCOCC1)N/N=C/c1ccc(Cl)cc1 5944520 DTKAHPSYPYPPCX-RQZCQDPDSA-N 381.845 1.557 50 40 GDGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OC 15019895 PTHARPDWZHCMIZ-RQZCQDPDSA-N 386.246 1.249 50 40 GDGB Cn1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1C1CC1 24466282 SKEQUUZQPDIHRA-UHFFFAOYSA-N 376.398 1.154 50 40 GDGB O=C(COC(=O)c1ccc(Cl)nc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 3529616 YNVQURJHHJGNGM-UHFFFAOYSA-N 378.728 1.261 50 40 GDGB COc1cc(OC)cc(C(=O)NNC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 6908279 DNBVZZMCJQPMBQ-UHFFFAOYSA-N 396.403 1.334 50 40 GDGB Cc1ccccc1OCC(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 7757835 ZSUFUOYXUKLDOP-UHFFFAOYSA-N 392.415 1.491 50 40 GDGB O=C(CCN1CCN(Cc2ccc3c(c2)OCO3)CC1)N/N=C\c1cccnc1 33340744 ANHQZIPQJWJQBE-UCQKPKSFSA-N 395.463 1.468 50 40 GDGB NC(=O)Cn1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 83318128 JCYNAWKLHMEHCY-NKVSQWTQSA-N 395.375 1.564 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(CC)cc1 8086162 LOXXCWVRCOMJHA-YDZHTSKRSA-N 396.447 1.853 50 40 GDGB CCOC(=O)[C@@H]1[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N[C@@]1(C)NC2=C(C#N)C#N 100253706 ZSXYJYXZWGNNMC-GRXQJBFDSA-N 393.447 1.382 50 40 GDGB O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 1955769 KGULYHQMAJECCU-LICLKQGHSA-N 383.393 1.813 50 40 GDGB Cc1noc(C)c1S(=O)(=O)NNC(=O)Cc1ccc2c(c1)CCC(C)(C)O2 71283693 KRNLGBFYGXOXPZ-UHFFFAOYSA-N 393.465 1.947 50 40 GDGB CCC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CCC)c1ccc(O)cc1 9242376 LIQLOCJQLUMHLI-DEDYPNTBSA-N 398.427 1.825 50 40 GDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCCO3)c(OC)c1 408722192 RBRKQLJYBPHSEK-RGVLZGJSSA-N 385.376 1.564 50 40 GDGB CCOCCOCC(=O)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 48308704 PYFGFNIYAFJLOX-UHFFFAOYSA-N 398.456 1.697 50 40 GDGB COc1cc([C@H]2C(=O)[C@H](Cl)N2Nc2nc(C)cc(=O)[nH]2)cc(OC)c1OC 17219012 MJJGZYDLKPNHOD-XJKSGUPXSA-N 394.815 1.622 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)ccc2OC)cc1 59434155 KWSLPITWJYDZJY-CIAFOILYSA-N 399.403 1.969 50 40 GDGB COc1cccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)c1 59434037 SCYWZOVYVRTQTH-PXLXIMEGSA-N 396.447 1.503 50 40 GDGB CCn1nc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c2ccccc2c1=O 6685835 PBQHDWSZYRKYEL-SRZZPIQSSA-N 394.387 1.644 50 40 GDGB O=C(COc1ccc(Cl)cc1)NNC(=O)Cn1c(=O)cnc2ccccc21 32976227 DWEJVIZZOFHOKR-UHFFFAOYSA-N 386.795 1.276 50 40 GDGB O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccco1 8354535 XKIRMCQWRCAWAT-UHFFFAOYSA-N 380.198 1.623 50 40 GDGB O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)N[C@@H]1CCc2c(Cl)cccc21 56900808 MPFTVRBJLKPKTI-QMTHXVAHSA-N 385.873 1.483 50 40 GDGB Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2cccnc2)cc1Cl 4715898 BOUNPZLWSFAMCS-UHFFFAOYSA-N 376.800 1.460 50 40 GDGB C[C@@H](C(=O)NN=C1C(=O)Nc2ccccc21)N(c1ccccc1)S(C)(=O)=O 408923213 GHLXNJJZDGOIDF-LBPRGKRZSA-N 386.433 1.314 50 40 GDGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O 195514557 CJOSHSDHCPNMOJ-LIBKGXAOSA-N 381.509 1.050 50 40 GDGB COc1ccc(/C=N/NC(=O)CSc2nnnn2-c2ccccc2)cc1OC 2684548 OLNNNHMTRCLTGL-YBFXNURJSA-N 398.448 1.922 50 40 GDGB Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3ccc(Cl)cc3)ccc21 41091400 CPYOTEYEVGHUFX-UHFFFAOYSA-N 394.840 1.154 50 40 GDGB CCN1C(=O)/C(=N/NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 15974033 MMHOZUSRRXKPKV-NWLFMRALSA-N 376.416 1.403 50 40 GDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2[nH]c3c(c2c1)CCCC3 9930606 SUZDSWDPBOGLJA-GFCCVEGCSA-N 375.450 1.242 50 40 GDGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OC)c2)cc1OC 409314720 HCAOKGPSZJYGAL-JMIUGGIZSA-N 388.376 1.940 50 40 GDGB COc1ccccc1C(=O)NN[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 100097151 PYAYBHWHXSLLHV-CQSZACIVSA-N 384.348 1.170 50 40 GDGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3cc(OC)cc(OC)c3)C2=O)cc1 1443732 JBLMSMDLKCPBDG-KRWDZBQOSA-N 399.403 1.279 50 40 GDGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 3337080 HYBXAXGOEGKQLW-UHFFFAOYSA-N 381.841 1.665 50 40 GDGB CCCc1cc2c(=O)n(CC(=O)N/N=C(\C)c3cn(C)nc3C)cnc2s1 6462336 FMHNYKOXCCNZEU-RGVLZGJSSA-N 386.481 1.993 50 40 GDGB Cc1cc(C)n2nc(CC(=O)NNC(=O)COc3c(C)cccc3C)nc2n1 6670164 OGLVVEVHNSJSSC-UHFFFAOYSA-N 382.424 1.127 50 40 GDGB CC(=O)c1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1 8666910 FVOISDOGFADLRM-UHFFFAOYSA-N 386.393 1.011 50 40 GDGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)c1OC 9742705 BFIJRXBCENZRSO-INIZCTEOSA-N 383.404 1.384 50 40 GDGB COc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3)C(=O)NC2=S)cc1 13552780 UEINJSUQZHBNAW-RVDMUPIBSA-N 396.428 1.261 50 40 GDGB C[C@H](NC(N)=O)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 27008542 IOCWVMWONICRLL-ZDUSSCGKSA-N 392.419 1.357 50 40 GDGB O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)N[C@H]1CCc2c(Cl)cccc21 56900807 MPFTVRBJLKPKTI-YGRLFVJLSA-N 385.873 1.483 50 40 GDGB CN(C)CCNC(=O)CCC(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1 199413893 HRYYNIZPFFPFGF-UHFFFAOYSA-N 379.848 1.040 50 40 GDGB CN1CCN(S(=O)(=O)C[C@]2(C)[C@@H]3CC[C@]2(C)C(=O)[C@H]3Br)CC1 100844547 IPLUOSAUUKDXNT-AYRXBEOTSA-N 393.347 1.332 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1)C1CCCCC1 108282071 KXFFUJMQPHQDGX-BOPFTXTBSA-N 382.442 1.639 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c1O 19954553 GABSNNMWMKVYSR-YBFXNURJSA-N 391.449 1.626 50 40 GDGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)NCCOC)=C2C#N)cc1 6355281 PHUSVJJGLCIMER-OAHLLOKOSA-N 389.477 1.920 50 40 GDGB C=CCOc1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1OC 59461586 SKSPZWHMLBVAEZ-OEAKJJBVSA-N 382.420 1.812 50 40 GDGB Cc1cccc(C(=O)NN/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 408526544 CKOKEJPJFWTBMF-RVDMUPIBSA-N 378.388 1.705 50 40 GDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc2c(cc1Cl)OCO2 4702503 VHQOULKMYDPGKY-UFWORHAWSA-N 384.783 1.873 50 40 GDGB O=C(NNC(=O)c1cccc(O)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 13081424 PEINJLLURJSWOQ-UHFFFAOYSA-N 389.433 1.252 50 40 GDGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@@H]1c1ccccc1 409135762 QZYWNIZDDXNXOA-DLBZAZTESA-N 399.472 1.780 50 40 GDGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)NC(N)=O 409246282 AHKPFFWGYPTFDA-LCYFTJDESA-N 382.351 1.945 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C3CC3)CC2)cc1Cl 1345780 XCFQZPPGJITIGG-UHFFFAOYSA-N 399.900 1.607 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 100134684 RSWGQBKTFXSZPN-BBJIBYMTSA-N 380.429 1.775 50 40 GDGB COc1ccc(C(=O)NNC(=O)CCC(=O)N2CCc3ccccc3C2)cc1 4682610 UZWLEFCGZDWTBE-UHFFFAOYSA-N 381.432 1.821 50 40 GDGB COc1cc(/C=N/NC(=O)Cn2c(C)nc3ccccc32)ccc1OCC(N)=O 5571446 NTIJYCDBJFTNLW-LSHDLFTRSA-N 395.419 1.368 50 40 GDGB COc1cc(/C=N/N(CCC#N)C(C)=O)cc(Br)c1OCC(N)=O 2773747 SFSHTWHCIMGWEM-UFWORHAWSA-N 397.229 1.418 50 40 GDGB C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1ccc(Br)cc1 40142863 ATDHWDVKPRTJJI-JTQLQIEISA-N 382.258 1.905 50 40 GDGB Cc1cccc(C)c1OCC(=O)NNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 32999569 HWZAXEYICDAGET-FZKQIMNGSA-N 377.466 1.284 50 40 GDGB Cc1ccccc1C(=O)NN[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 2728654 PDJFUBLWQWVVOX-HNNXBMFYSA-N 381.388 1.333 50 40 GDGB C[C@]1(NC(=S)OCC(Br)Br)CCS(=O)(=O)C1 59568557 WEALIYCQKVZTSY-QMMMGPOBSA-N 395.138 1.571 50 40 GDGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1 408998048 QBLGACGQPICNGP-UUYOSTAYSA-N 397.431 1.777 50 40 GDGB CCCCC(=O)NN/C=C1\C(=O)N(c2cccc(OC)c2)C(=S)N=C1O 2303852 XUAFAYTXROTSRI-RAXLEYEMSA-N 376.438 1.978 50 40 GDGB CCC1(CC)NC(=O)N(CC(=O)C(C#N)=C2N(C)c3ccccc3N2C)C1=O 2642128 UOWXELQFFXFTMJ-UHFFFAOYSA-N 381.436 1.987 50 40 GDGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21 5561211 PTOMTTWRMUIRJP-MOHJPFBDSA-N 378.363 1.056 50 40 GDGB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc2c(c1)OCO2 6085192 QBIPOCUYAOKPEB-UHFFFAOYSA-N 399.447 1.509 50 40 GDGB COc1cc(OC)cc(C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)c1 7939957 HGHWARGBLRRVPE-UHFFFAOYSA-N 392.795 1.975 50 40 GDGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2)c1ccc(Br)o1 101518646 PZDDYPBBRMUQNV-MMSPYSMKSA-N 383.198 1.716 50 40 GDGB COc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408534883 MUHGGPWXSPXKAV-UGVMZYNRSA-N 394.387 1.618 50 40 GDGB Cn1cc(I)c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n1 825430 FAOUDUGVPJCKQU-MKMNVTDBSA-N 399.148 1.697 50 40 GDGB COCCn1c(C)cc2c(c1=O)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 6669382 JLBIYNVHVJQZQF-HXUWFJFHSA-N 378.388 1.128 50 40 GDGB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1cccc(Cl)c1 13865452 MCRCFEWQYVPQEG-ZIAGYGMSSA-N 377.828 1.666 50 40 GDGB CCCN1C(=O)/C(=N/NC(=O)CNC(=O)c2cccc(OC)c2)c2ccccc21 100180813 CAAPLFPQLWRQMV-LYBHJNIJSA-N 394.431 1.702 50 40 GDGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(N(C)C)cc2)s1 408731236 LKVPQLZWWVSVJA-LICLKQGHSA-N 376.442 1.865 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1cc(C)cc(C)c1 409390038 TXHMTEBJVGOOAU-UHFFFAOYSA-N 377.466 1.806 50 40 GDGB CC(=O)N[C@@H](C(=O)O)C(C)(C)SSC(C)(C)[C@@H](NC(C)=O)C(=O)O 2572799 TYARMXWNXXYBMN-UWVGGRQHSA-N 380.488 1.104 50 40 GDGB Cc1cc(C)n(CC(=O)NNC(=O)COc2ccc(Br)cc2F)n1 6507640 NYAOJIYUCKXTCA-UHFFFAOYSA-N 399.220 1.628 50 40 GDGB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(N2CCCCC2)c1/C=N/NC(=O)C1CC1 7783693 AVNNIYCKIMFOGP-SKCQWOFPSA-N 393.513 1.402 50 40 GDGB N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1n[nH]c(N)c1C#N 8995389 RQMDOIGDLXIURQ-XFFZJAGNSA-N 380.389 1.835 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccnc2)c1-c1cccs1 9307832 HKORVWXQNDUDLD-QGMBQPNBSA-N 381.381 1.120 50 40 GDGB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2O)c1 17526585 OTQBAJUZJKFHAS-UHFFFAOYSA-N 391.449 1.496 50 40 GDGB CC(=O)NCc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 40007655 GWFZZDFFUSQXQX-UHFFFAOYSA-N 393.403 1.289 50 40 GDGB O=C1OC(=O)[C@@H]2[C@@H]1C=C(c1ccccc1)[C@@H]1[C@@H]2[C@@H]2C=C[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21 104081624 XIASFWIVHIGEDQ-IIXXEUBMSA-N 376.364 1.763 50 40 GDGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1n[nH]c(N)c1C#N 4112917 RQMDOIGDLXIURQ-YRNVUSSQSA-N 380.389 1.835 50 40 GDGB COc1ccc(N(CC(=O)NN)S(=O)(=O)c2cc(C)ccc2OC)cc1 6844641 HVDVNSLKHFHNTB-UHFFFAOYSA-N 379.438 1.197 50 40 GDGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)o1 9498700 LHTSRPKVRCIXJJ-REZTVBANSA-N 384.381 1.626 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)cc1Cl 20213202 QAMXIKVANAYKPK-VXLYETTFSA-N 396.856 1.660 50 40 GDGB O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1cccc(S(=O)(=O)N2CCOCC2)c1 38374175 RWKCHDSTBUJWCI-FKESFVGWSA-N 375.450 1.389 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 6497036 IXECYEOTSWAIKY-WSDLNYQXSA-N 382.420 1.599 50 40 GDGB CC1(C)[C@@]2(CBr)CC[C@]1(C(=O)NCCN)[C@H](Br)C2=O 103707965 NAUZHLKPFNYNAP-BZHVJNSISA-N 396.123 1.595 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1OC 12763017 ROTMLDBEJBKBQB-UHFFFAOYSA-N 394.405 1.098 50 40 GDGB COCc1cc(C)n(CC(=O)N/N=C/c2cc(OC)ccc2OC)c(=O)c1C#N 98087298 DEHIBCMLQLLBFE-LSHDLFTRSA-N 398.419 1.342 50 40 GDGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccccc1O 105708622 LWELIDUJYUCIJZ-GXBAXFRPSA-N 384.323 1.146 50 40 GDGB C/C(NNC(=O)c1ccncc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 9329556 DOGOHXIQDMRKJE-NTCAYCPXSA-N 379.376 1.181 50 40 GDGB CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NNC(=O)c1ccco1 8238402 OUXWBCFAQJCSIN-AWEZNQCLSA-N 399.856 1.697 50 40 GDGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(C)cc1 2242800 CIKDBDNKIOTUBR-KEBDBYFISA-N 397.443 1.147 50 40 GDGB Cc1ccccc1OCC(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O 1801234 VZHRLLMHMRKQGJ-UHFFFAOYSA-N 381.388 1.208 50 40 GDGB CCN(CC)Cc1c(C(=O)N/N=C(\C)c2ccccc2)nnn1-c1nonc1N 713474 HGLLTDBRKDBDIF-UDWIEESQSA-N 397.443 1.228 50 40 GDGB CCOc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 7812023 JBHNTIOMNNLYSF-OEAKJJBVSA-N 399.447 1.912 50 40 GDGB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1O 17576252 JCDRPRBQHDGICU-UHFFFAOYSA-N 397.840 1.175 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 6440679 QAMKDOBUJRROIR-UFFVCSGVSA-N 388.811 1.554 50 40 GDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 2190262 BTTAVFHKGBYRKZ-WOJGMQOQSA-N 390.421 1.674 50 40 GDGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)cc1OC 4851062 PQFAXVLWQNIRJR-GOSISDBHSA-N 397.431 1.775 50 40 GDGB N#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1cccc(Cl)c1 6560941 FIVNLQSCGTUHLS-UHFFFAOYSA-N 386.795 1.168 50 40 GDGB CN(C)N(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 25050820 FYTTWEAQGOGIIZ-AWEZNQCLSA-N 396.469 1.301 50 40 GDGB COc1ccc(C(=O)NN[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1OC 101695019 WXNMYNXFKPIHQL-HNNXBMFYSA-N 383.404 1.266 50 40 GDGB COc1ccc(CCN2C(=O)C[C@H](NNC(=O)c3cccc(O)c3)C2=O)cc1 101748387 RUZFSXPJZCRBRH-KRWDZBQOSA-N 383.404 1.005 50 40 GDGB COc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccccc3C)C2=O)cc1OC 102304161 VXBDEGOBFBPGQA-AWEZNQCLSA-N 383.404 1.579 50 40 GDGB CN(Cc1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 9789881 UESJIBPKAOKZLY-UHFFFAOYSA-N 375.454 1.466 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1F 408786913 XJLRMMPTXLFDQH-VCHYOVAHSA-N 394.384 1.650 50 40 GDGB O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1cnccn1 2373182 WGXJGRIELNUWDK-UHFFFAOYSA-N 385.605 1.733 50 40 GDGB COc1ccc(N2C(=O)NC(=O)/C(=C(\C)NNC(=O)c3ccccc3)C2=O)cc1 5322681 XBJWMPPRAFWGGZ-VBKFSLOCSA-N 394.387 1.487 50 40 GDGB Cc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C 7384529 QQRRPYRUOYNUFI-UHFFFAOYSA-N 396.494 1.220 50 40 GDGB O=C(NNC(=O)c1cccnc1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 12822552 QNKKMSSSWPDFMX-UHFFFAOYSA-N 399.414 1.858 50 40 GDGB C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 19954050 OBCXXSKAPAJBNX-QGOAFFKASA-N 390.421 1.901 50 40 GDGB O=C(OC(=O)[C@@H](F)I)[C@@H](F)I 885164222 VVKQTLHTLLYGTG-LWMBPPNESA-N 389.861 1.517 50 40 GDGB Cn1ncnc1C(=O)N1CCC2(CC1)CO[C@H](CI)C2 2056225913 FLNFUYBAUJHDIM-JTQLQIEISA-N 390.225 1.261 50 40 GDGB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1ccncc1 4698849 ZJNJWNYKTPYZKR-UHFFFAOYSA-N 397.218 1.805 50 40 GDGB CCCCC(=O)NN/C=C1/C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O 4855896 ZJKUZFLUUICGNN-KAMYIIQDSA-N 376.388 1.142 50 40 GDGB O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)c1ccc2c(c1)OCO2 6790426 PDQYYBPRSCTFDE-HNNXBMFYSA-N 385.401 1.679 50 40 GDGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OCC 38536887 HPJHEPNQZMXLOJ-XNTDXEJSSA-N 376.409 1.697 50 40 GDGB Cn1c(=O)c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(O)c2ccccc21 100551323 BAPVLEGRIBKKRX-UHFFFAOYSA-N 382.332 1.227 50 40 GDGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 409377886 LYWDJTXLPDRHGA-SDADXPQNSA-N 399.447 1.955 50 40 GDGB Cc1cc(Cl)c(C)c(S(=O)(=O)NNC(=O)C(=O)NC2CC2)c1Cl 8937915 PWPNOGPJLJMGMG-UHFFFAOYSA-N 380.253 1.198 50 40 GDGB C[C@H](Oc1ccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc1)C(=O)O 408855942 OVKBSGMAYOCSSX-ZTPSMGMTSA-N 387.348 1.976 50 40 GDGB COc1ccc(OCC(=O)NNC(=O)CSc2nnc3ccccn23)cc1 8269864 PRDBIXBYBKDGCU-UHFFFAOYSA-N 387.421 1.056 50 40 GDGB COc1ccccc1C(=O)NCCC(=O)NNC(=O)COc1ccccc1F 9994357 ZJSOZQCPQNLWQE-UHFFFAOYSA-N 389.383 1.181 50 40 GDGB Cc1ccccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 5512873 LAVZLMBFCIEUIA-UHFFFAOYSA-N 391.449 1.085 50 40 GDGB Cn1c(=O)c2c(nc(NCCBr)n2Cc2ccccc2)n(C)c1=O 2570370 KDESARBSDAZGJX-UHFFFAOYSA-N 392.257 1.289 50 40 GDGB O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccc([N+](=O)[O-])c1 1923418 FCRKIWZLLLKPMQ-KEBDBYFISA-N 384.348 1.246 50 40 GDGB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NNC(=O)c1cc2c(s1)CCCC2 6648944 WRIBKECRXJUZFN-UHFFFAOYSA-N 398.444 1.091 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)c1ccc2c(c1)OCO2 12792971 ALUHYDKZNBNGIB-UHFFFAOYSA-N 398.780 1.390 50 40 GDGB O=C(CCc1ccco1)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 32820571 VTOILYUWMZANQX-UHFFFAOYSA-N 399.428 1.722 50 40 GDGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 104405827 PCCYXMDXUKAHGC-KDVVFZKISA-N 387.436 1.221 50 40 GDGB O=C(O)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 408685293 LFXWJZFKSJXBCY-GRRRKWKPSA-N 380.194 1.894 50 40 GDGB COc1cccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1OC 409121781 WKQYBXDUDJDKGM-XDHOZWIPSA-N 391.449 1.864 50 40 GDGB CC(C)/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1 12401186 PSUOEWLQZBFXDZ-REZTVBANSA-N 385.344 1.179 50 40 GDGB O=C(CSCc1ccc(Cl)cc1)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 12757318 SRWYQJSCGWALPN-LBPRGKRZSA-N 390.914 1.545 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 408777616 DHCNBMXAELMJNP-VCHYOVAHSA-N 394.384 1.650 50 40 GDGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1ccc([N+](=O)[O-])cc1 5125593 XAVXRYDAZDBIOX-UGNSCYDZSA-N 384.348 1.001 50 40 GDGB C/C(N)=C(/C#N)C(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 21743270 PCCYXMDXUKAHGC-SBTUULAHSA-N 387.436 1.221 50 40 GDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 28215003 URCBYOUBUBXEIG-AZHVYHFMSA-N 397.431 1.880 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(N)=O)cc1 408926848 YURKLXQBALHEIG-VCHYOVAHSA-N 376.394 1.415 50 40 GDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cccc(O)c2O)c1 3242267 CWKYUMNBGJJWCO-XDHOZWIPSA-N 391.449 1.892 50 40 GDGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccnc1)S(C)(=O)=O 7066109 SXNUTLFDKJRVRS-XDHOZWIPSA-N 376.438 1.397 50 40 GDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(O)cc1 6383164 PROCCCCSDNCZFK-AWQFTUOYSA-N 377.364 1.524 50 40 GDGB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 245188060 ZYQSWUFUVGIGTA-SSZWKKLZSA-N 395.364 1.897 50 40 GDGB biogenic O=C(CO/N=C/c1ccccc1O)NNC(=O)c1ccccc1Br 2801436 PQFCJJSSCCXZHB-GIJQJNRQSA-N 392.209 1.966 50 40 GDGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 4292358 IVISOZACQAUYLO-FYWRMAATSA-N 387.461 1.883 50 40 GDGB CN(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 6544525 OXQDUJUJYIWZSE-GZTJUZNOSA-N 376.394 1.366 50 40 GDGB CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)NN 2568963 JEPOKBUWDFZANA-UHFFFAOYSA-N 381.359 1.500 50 40 GDGB CCn1nc(C(=O)NNC(=O)[C@@H]2COc3ccccc3C2)c2ccccc2c1=O 12733725 DTXYZVHSRGBLSI-AWEZNQCLSA-N 392.415 1.429 50 40 GDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccco1 12985618 IKGZKONNOQJHFL-SNVBAGLBSA-N 392.209 1.856 50 40 GDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 5637622 FIJLQIGZJKJAOX-NSHDSACASA-N 384.367 1.301 50 40 GDGB CCOC(=O)Cc1n[nH]c2c1[C@@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2 6772920 RQYLZKJWGFFESC-FQEVSTJZSA-N 393.403 1.254 50 40 GDGB O=C(Cc1cn2ccsc2n1)NN[C@H](C(=O)N1CCCC1)c1ccccc1 8710004 JZNSGKSANYFWMV-KRWDZBQOSA-N 383.477 1.923 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1 20207822 PHKUFRINUFZLQZ-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c1 20208012 GJLPKSYQQBXPQO-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB O=C(CNC(=O)c1cccc(Cl)c1)NNC(=O)Cc1cn2ccsc2n1 7738715 QGEZIOFIEMJTCE-UHFFFAOYSA-N 391.840 1.169 50 40 GDGB CSCC[C@@H](NC(N)=O)C(=O)NNC(=O)CSc1ccc(Cl)cc1 7779026 OMNRWYVNAWXOQA-LLVKDONJSA-N 390.918 1.370 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408537367 VNLYQISRZILDHJ-PEIUVDJGSA-N 382.420 1.594 50 40 GDGB O=C(COc1ccc(/C=N/NC(=O)c2cccnc2)cc1)NC[C@@H]1CCCO1 633367 CKBJCNJIQJUANB-RIDKEVFESA-N 382.420 1.520 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)Cc1ccccc1 6453854 KUEWDNAYPWISPS-VXLYETTFSA-N 389.433 1.327 50 40 GDGB COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 6735247 VNWQLJZTUHBNSM-SDNWHVSQSA-N 389.433 1.654 50 40 GDGB CCOc1cc(C#N)ccc1OCC(=O)NNC(=O)CNc1ccccc1OC 12542475 PFDCXIYJYUTGIR-UHFFFAOYSA-N 398.419 1.604 50 40 GDGB COc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(OC)c1 12770639 QREFJJRYPGXVCH-LNENJAERSA-N 384.388 1.704 50 40 GDGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 19898435 XVXKJMMQCHSHEC-YDZHTSKRSA-N 396.447 1.147 50 40 GDGB CC(C)n1nc(C(=O)NNC(=O)COc2ccc(F)cc2)c2ccccc2c1=O 12856364 HQIUHJXBXLODDJ-UHFFFAOYSA-N 398.394 1.957 50 40 GDGB CCOC(=O)[C@H](CSC[C@@H](O)CBr)NC(=O)OC(C)(C)C 4060743 GNQDJWAKAYIOFN-UWVGGRQHSA-N 386.308 1.932 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cc2c(s1)CCC2 7379599 SGYDZHBYTLDTDJ-UHFFFAOYSA-N 380.447 1.631 50 40 GDGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccncc1)OCc1ccccc1 408991842 REUYJIZUTMSMBU-SFQCIDFKSA-N 392.419 1.793 50 40 GDGB CCc1nc2ccccc2n1CC(=O)NNC(=O)CCNC(=O)c1ccccc1 26792700 ANCBKKPOYJJBKH-UHFFFAOYSA-N 393.447 1.566 50 40 GDGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 409377887 LYWDJTXLPDRHGA-UGQVUOCMSA-N 399.447 1.955 50 40 GDGB COCc1c(C(=O)N/N=C(\C)c2cc(C)c(C)cc2C)nnn1-c1nonc1N 13425199 BBPNTMMEAFVFIO-UDWIEESQSA-N 398.427 1.458 50 40 GDGB CCOc1ccc(N2C(=O)C[C@H](NNC(=O)Cc3ccc(OC)cc3)C2=O)cc1 102407354 QUJCINONFGIIOS-SFHVURJKSA-N 397.431 1.589 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C)c1 6953930 SLFFAAQHVAXQQP-WSDLNYQXSA-N 382.420 1.599 50 40 GDGB C[C@H](O)[C@H](O)CC(/C=N\NC(=O)c1ccccc1)=N\NC(=O)c1ccccc1 104132168 BSCXYPMFDMSTPM-SRVAJMFDSA-N 382.420 1.320 50 40 GDGB CCn1c(NNC(=O)c2n[nH]c(=O)c3ccccc23)nc2ccccc2c1=O 11156052 BHZDTNPDYIMNCM-UHFFFAOYSA-N 376.376 1.410 50 40 GDGB Cc1cccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 409025444 RGIKUFLDRDMHOP-WOJGMQOQSA-N 390.421 1.820 50 40 GDGB CS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1 27666179 BBLUATAJMLCHRA-UHFFFAOYSA-N 389.220 1.262 50 40 GDGB Cc1cc(C)n2nc(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nc2n1 2182098 AARYRGINPXUIGD-CAOOACKPSA-N 385.409 1.892 50 40 GDGB COc1ccc(C2=NO[C@@H]3[C@H]4CO[C@H](O4)/C(=N\NC(=O)c4ccccc4)[C@H]23)cc1 6668864 KZPSFDVJTJLLMF-LGGRSLQKSA-N 393.399 1.955 50 40 GDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2Cl)o1 7956285 ZJUOWOROODMQTI-JTQLQIEISA-N 382.825 1.796 50 40 GDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 3290220 DHTAYTRYVYIWON-UHFFFAOYSA-N 391.449 1.553 50 40 GDGB N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 26695079 ARMSZAZOZKJSCX-OAHLLOKOSA-N 396.403 1.230 50 40 GDGB CSc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1 2388825 XLKBAOIHLCGOSQ-QGMBQPNBSA-N 386.441 1.842 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)ccc1Cl 5960280 ZJHXZAWJJOOHEP-OVTCNUJSSA-N 380.828 1.922 50 40 GDGB O=C(CNC(=O)NCc1ccccc1)NNC(=O)CN1CCCc2ccccc21 17402663 XVNSYKZNEPCVAM-UHFFFAOYSA-N 395.463 1.086 50 40 GDGB Cn1c(-c2ccc(N(CCCl)CCCl)cc2)nc2c1c(=O)[nH]c(=O)n2C 1631280 YUEBHAMVPWYYCT-UHFFFAOYSA-N 396.278 1.911 50 40 GDGB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4303742 ZYQSWUFUVGIGTA-YTBGYOSVSA-N 395.364 1.897 50 40 GDGB COc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 6356952 ZVKTZYGZESREPV-YBFXNURJSA-N 379.413 1.605 50 40 GDGB COc1cccc(N2C(=O)C[C@@H](NNC(=O)c3cn(C)c4ccccc34)C2=O)c1 101999249 JQNVLMZMYJNMMD-QGZVFWFLSA-N 392.415 1.753 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccc(C(=O)O)cc1)C1CCCCC1 105444685 ZACGDOVCYXEWKU-WQRHYEAKSA-N 381.454 1.429 50 40 GDGB CC(=O)Nc1ccc(-n2c(C)cc(/C=N\NC(=O)CN3CCOCC3)c2C)cc1 408995863 BRXIGKMKBLDMAG-XKZIYDEJSA-N 397.479 1.835 50 40 GDGB COc1cc(OC)cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1 105293585 IOMLHCCRDSLMRO-CAOOACKPSA-N 390.308 1.990 50 40 GDGB O=C(N/N=C\[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc(O)cc1 4738963 ABVOFARNOYTFSU-VAODSVERSA-N 382.401 1.172 50 40 GDGB Cc1csc(=O)n1CCC(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 7985858 CXROWSUXQNKSJZ-UHFFFAOYSA-N 384.417 1.993 50 40 GDGB COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Cl)c1OCC(=O)O 14134703 ADBPXHXOHAHHRC-FCASDWRQSA-N 392.795 1.996 50 40 GDGB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccc(F)cc2)C1=O 17359277 GJQJUOYBERZXPH-FQEVSTJZSA-N 398.394 1.444 50 40 GDGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1 6376300 YTCAERAGOZBFGV-CIAFOILYSA-N 382.420 1.679 50 40 GDGB O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/NNC(=O)c1ccccc1 5069563 ZQHWZXUMZQVFQZ-XNTDXEJSSA-N 398.419 1.388 50 40 GDGB O=C(O)C[C@@]12CSc3[nH]c(=O)sc3[C@@H]1c1cc([N+](=O)[O-])ccc1OC2=O 2689001 NVIAJQVJGSHZSL-ZUZCIYMTSA-N 394.386 1.962 50 40 GDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 104345786 IVISOZACQAUYLO-SQFISAMPSA-N 387.461 1.883 50 40 GDGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)C(O)(c1ccccc1)c1ccccc1 25580858 RSDBEPUEEGQXEZ-CPNJWEJPSA-N 395.379 1.010 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1OC 7385325 CNHWTYCHAXNJBQ-LLVKDONJSA-N 398.412 1.620 50 40 GDGB COc1cc(/C=N/NC(=O)c2nn(C)cc2Br)cc(OC)c1OC 1089292 QWORTONCPDRSLT-REZTVBANSA-N 397.229 1.972 50 40 GDGB Cc1ccc(C(=O)OCC(=O)NNC(=O)COc2ccc(Cl)cc2)c(O)c1 5225636 LNZYCQWFSFKDTG-UHFFFAOYSA-N 392.795 1.737 50 40 GDGB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NNC(=O)c1cccs1 14840399 YPWJZJKIZNEHNK-UHFFFAOYSA-N 390.377 1.806 50 40 GDGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 6327618 QNRSGYUGKDPZDL-CIAFOILYSA-N 382.420 1.679 50 40 GDGB O=C(NCCc1ccc(F)cc1)NNC(=O)c1csc(N2CCOCC2)n1 13008264 AHPCVSGGRJINII-UHFFFAOYSA-N 393.444 1.306 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccco2)cc1 16321324 BABZQOHEOIGGCP-LICLKQGHSA-N 378.410 1.009 50 40 GDGB C[C@@H](NC(=S)NNC(=O)Cn1ncc2ccccc2c1=O)c1ccc(F)cc1 4593391 NSYQUPYIRFWYMH-GFCCVEGCSA-N 399.451 1.792 50 40 GDGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1cccc(C(F)(F)F)c1 101133739 GZCNHTZOSPGGBG-LSHDLFTRSA-N 388.346 1.289 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 6578719 IVUUHUZMCDTDDZ-UFFVCSGVSA-N 388.811 1.554 50 40 GDGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccnc1)S(C)(=O)=O 408879248 CKCQEQHUWKCBEQ-VXLYETTFSA-N 396.856 1.660 50 40 GDGB CCCc1nn(C)c2c1[C@H](c1ccc(OCC(N)=O)c(OC)c1)C(C#N)=C(N)O2 4957563 MKOBUPGOBQUPRR-QGZVFWFLSA-N 397.435 1.463 50 40 GDGB CCCN1C(=O)/C(=N/NC(=O)CNC(=O)/C=C/c2ccco2)c2ccccc21 5966286 DPZLDQVHXBGJNX-LDLNHXLASA-N 380.404 1.686 50 40 GDGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)CSc3ccncc3)ccc12 40161063 MLJFMRPOKLJHRJ-UHFFFAOYSA-N 399.428 1.815 50 40 GDGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)ccc1O 19954428 RYNKEDXHZXYMKY-YBFXNURJSA-N 391.449 1.626 50 40 GDGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3)c2=O)=C(C#N)[C@@H]1c1ccccc1 704312 VZVPFQJNXVRHOJ-ZYNFKGNASA-N 382.448 1.861 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OC)cc2)c1 6953901 MWJXABRIFWYQGX-WSDLNYQXSA-N 398.419 1.299 50 40 GDGB Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)Cn2c(C)csc2=O)c1C 12973626 YOJOMQDVTLRHKV-UHFFFAOYSA-N 383.495 1.462 50 40 GDGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc4c(c3)OCO4)CC2=O)cc1 409169595 RALZFNJNEKLDLC-LKEIMFIWSA-N 381.388 1.927 50 40 GDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1)Nc1ccccc1 409264734 RPYQDRJOSDKBIB-CIAFOILYSA-N 380.404 1.433 50 40 GDGB Cc1ccccc1C(=O)NNC(=O)CSc1nnnn1[C@@H]1C[C@H]2CC[C@@H]1C2 1442178 VOCXIHABSFEGLC-GZBFAFLISA-N 386.481 1.896 50 40 GDGB O=C(COC(=O)Cc1ccccc1F)NNC(=O)c1ccc([N+](=O)[O-])cc1 7977211 VOEWSPACVHQWMK-UHFFFAOYSA-N 375.312 1.281 50 40 GDGB COc1ccc(C(=O)NNC(=O)CNC(=O)c2ccc(C)s2)cc1OC 14245982 HFQFDOXSXMNBKP-UHFFFAOYSA-N 377.422 1.265 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1C(=O)O)C1CCCCC1 33759205 WCSIOZBEUOHMBF-WQRHYEAKSA-N 381.454 1.429 50 40 GDGB N#Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3ccc(B(O)O)o3)n2)s1 585295056 YMSWTQVBMOUNGM-OAHLLOKOSA-N 395.253 1.763 50 40 GDGB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccccc2)c1 6169240 LLBRXKVFOGWGIC-UHFFFAOYSA-N 381.841 1.665 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2)cc1OC 6544592 GHHHYQCMOXBSPY-XDHOZWIPSA-N 391.449 1.475 50 40 GDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccc(CC(C)C)cc1 4957606 UXDGATQVLFAETM-RGVLZGJSSA-N 382.428 1.893 50 40 GDGB O=C(NNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc2c(c1)OCO2 95451588 CDCZWLAWWHVCPY-UHFFFAOYSA-N 380.316 1.947 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408536130 PUYHRLASJDTXSV-BTZNOAQDSA-N 378.388 1.918 50 40 GDGB Cc1n[nH]c(=O)c(C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c1C 40143565 HCGNXRLHMPPCAA-UHFFFAOYSA-N 379.420 1.869 50 40 GDGB COc1ccc(CC(=O)NNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 24149370 DNZWIBHMEUFSKD-UHFFFAOYSA-N 393.447 1.568 50 40 GDGB Cc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)cc1Cl 20213098 PBKOPKRQYHBEGC-UHFFFAOYSA-N 386.905 1.612 50 40 GDGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCOCC3)o2)n1 4545327 MYFGZXICAMWTJM-VCHYOVAHSA-N 375.454 1.765 50 40 GDGB COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(Cl)cc2N)cc1 7653855 SLCSMCUTGJEMFU-UHFFFAOYSA-N 377.784 1.549 50 40 GDGB Cc1occc1C(=O)NNC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 40068963 CEPLVDJTCFYFOS-UHFFFAOYSA-N 384.436 1.971 50 40 GDGB O=C(OC(=O)[C@H](F)I)[C@@H](F)I 885164223 VVKQTLHTLLYGTG-XIXRPRMCSA-N 389.861 1.517 50 40 GDGB O=C(NN/C=C1/C(=O)N(CCc2ccccc2)C(=O)N=C1O)c1ccccc1O 5034801 JQHGGNXOYQQDBA-NTCAYCPXSA-N 394.387 1.672 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1 6849971 SVVJSVBTSUNKSS-GZTJUZNOSA-N 376.394 1.511 50 40 GDGB CC1(C)[C@]2(CBr)CC[C@@]1(C(=O)NCCN)[C@@H](Br)C2=O 109274999 NAUZHLKPFNYNAP-HJIKLVIJSA-N 396.123 1.595 50 40 GDGB CCCn1nc(C(=O)NNS(=O)(=O)c2ccccc2)c2ccccc2c1=O 13006349 GOYBZJJNCURBRJ-UHFFFAOYSA-N 386.433 1.430 50 40 GDGB COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc(OC)c1OC 4721408 UUEXATSYEVCZBU-YRDSWSOFSA-N 397.431 1.692 50 40 GDGB CCOC(=O)COc1ccc(/C=N/NC(C)=O)cc1I 409015634 STWXYLLRTWRBTN-VIZOYTHASA-N 390.177 1.703 50 40 GDGB O=C(O)c1ccccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408676712 BGSAZHWIQYHQIO-DZRDUMEESA-N 380.194 1.894 50 40 GDGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)NC2CCCCC2)cc1 95116924 FWOBWWCDDAPUAT-UHFFFAOYSA-N 382.486 1.327 50 40 GDGB O=C(CCc1ccc2c(c1)OCO2)NNC(=O)c1nn(-c2ccccc2)cc1O 10234081 ZHCJOWVSIZTLJE-UHFFFAOYSA-N 394.387 1.700 50 40 GDGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cc[n+]([O-])cc1 28817798 ZZVBZICUKWRNSG-SNVBAGLBSA-N 380.198 1.311 50 40 GDGB C/C(=N\NC(=O)CN1CCOCC1)c1cccc(I)c1 20248557 KCSFJKPTKYGKRF-LFIBNONCSA-N 387.221 1.464 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)c(OC)c1 8115222 BRENAALXBGQMEA-YBFXNURJSA-N 392.437 1.015 50 40 GDGB N#C/C(C(=O)NN1C(=O)c2ccccc2C1=O)=C(/O)c1ccc([N+](=O)[O-])cc1 102042160 YZUNLEMWTSZJIG-PFONDFGASA-N 378.300 1.715 50 40 GDGB Cc1cc(/C=N\NC(=O)CN2CCOCC2)c(C)n1-c1cccc(C(=O)O)c1 59246462 QTLFOHOPLCHXSD-MTJSOVHGSA-N 384.436 1.575 50 40 GDGB COCCNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 6180179 FDRPMJMAVHLATJ-KAMYIIQDSA-N 396.403 1.204 50 40 GDGB CCc1ccc(N2C(=O)N=C(O)/C(=C\NNC(=O)c3ccncc3)C2=O)cc1 17028055 APLHOGLBGLIFLM-RVDMUPIBSA-N 379.376 1.886 50 40 GDGB COc1ccccc1/C=N/NC(=O)CN(c1ccccc1F)S(C)(=O)=O 408768566 YJYOPRNCMLHOQO-YBFXNURJSA-N 379.413 1.751 50 40 GDGB O=C(CNc1ccccc1)NN[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 35682774 DLBBSOZAAXUCKL-KRWDZBQOSA-N 397.479 1.762 50 40 GDGB COc1ccc(C(=O)NNC(=O)c2cc3cccc(OC)c3oc2=O)cc1OC 841073 DUSNSCLSBJAQSZ-UHFFFAOYSA-N 398.371 1.894 50 40 GDGB O=C(COC(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Br)c1ccccc1 8475306 WRJMXBUVYUAIHB-XYVIHTCUSA-N 379.206 1.984 50 40 GDGB NNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408562158 NNIMSHPKDWTVHQ-UHFFFAOYSA-N 395.868 1.850 50 40 GDGB O=C(CCl)OCCN1Cc2nc3sc4c(c3c(=O)n2CC1=O)CCCC4 1567912 KOSRAWXQWDMKCO-UHFFFAOYSA-N 395.868 1.461 50 40 GDGB CC(C)CNC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 4852705 LTVPHVJPALCUAE-VIFPVBQESA-N 376.240 1.680 50 40 GDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1)Nc1ccccc1 58874021 NJPKDBNQBKYMEX-HYARGMPZSA-N 394.431 1.777 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 12984676 OKTHPKDTLFGUGO-HNNXBMFYSA-N 385.420 1.992 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)NN 408617285 AKPQELHPIAOWBJ-UHFFFAOYSA-N 377.466 1.227 50 40 GDGB Cc1n[nH]c2c1[C@H](c1ccccc1OC(=O)N1CCOCC1)C(C#N)=C(N)O2 1438032 BSVWHAHFBLAGLE-MRXNPFEDSA-N 381.392 1.767 50 40 GDGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCCOC)c2ccccc21 2236320 PWVASIYQVGHARU-NRFANRHFSA-N 393.399 1.092 50 40 GDGB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NNc1ccccc1[N+](=O)[O-] 14138859 XMFUKTJHVLICGT-UHFFFAOYSA-N 393.425 1.475 50 40 GDGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1cccc(O)c1 34888714 DUMHNFXZPAGMHL-UYRXBGFRSA-N 375.450 1.347 50 40 GDGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cn(-c2ccc(F)cc2)nn1 2087141196 JPVWZHOKQFGMPR-CQSZACIVSA-N 379.779 1.816 50 40 GDGB COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C/c1ccc2c(c1)OCO2 3140627 BPVZHVGNNDFMGB-GOBVOVFGSA-N 381.388 1.704 50 40 GDGB biogenic CCc1cc2c(=O)n(CC(=O)N/N=C3\C(=O)Nc4c(C)cccc43)cnc2s1 5961519 NPYIRNHGGKSQKT-UHFFFAOYSA-N 395.444 1.801 50 40 GDGB C[C@H](NC(N)=O)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 6779051 SWQDJAIHUZNJAQ-QMMMGPOBSA-N 377.228 1.357 50 40 GDGB CC(=O)NCCC(=O)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12 9157713 FRKCOHUYFORVTA-UHFFFAOYSA-N 377.404 1.584 50 40 GDGB CC(C)(C)CC(=O)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 14230972 RKFQUQHWPFCRRC-UHFFFAOYSA-N 375.450 1.932 50 40 GDGB COc1ccc(/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 100958988 VNDFNMZVHFKIJC-FSEGOYHTSA-N 386.429 1.475 50 40 GDGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c(OC)c1 4822871 NFTINXUDZHDOLI-WSDLNYQXSA-N 399.403 1.703 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 6497016 RSPNWBGPUMSDDP-WSDLNYQXSA-N 398.419 1.299 50 40 GDGB CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 6538264 FMRXVSHCTQTZHV-DEDYPNTBSA-N 389.477 1.997 50 40 GDGB CN(CC(=O)NNC(=O)c1c[nH]c2ccccc12)S(=O)(=O)c1cccs1 12782495 UKUKXSNZMMDBKT-UHFFFAOYSA-N 392.462 1.311 50 40 GDGB Cc1ccc(S(=O)(=O)NCCC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1 28615349 WOXHFOAMDMFUMS-ZHZULCJRSA-N 388.493 1.880 50 40 GDGB Cc1cccc(C)c1OCC(=O)NNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 32999568 HWZAXEYICDAGET-SCLBCKFNSA-N 377.466 1.284 50 40 GDGB Cc1nn(C)cc1S(=O)(=O)NNC(=O)Cc1ccc2c(c1)CCC(C)(C)O2 71287997 KQAYBGBVFBXCOP-UHFFFAOYSA-N 392.481 1.384 50 40 GDGB CCCn1nc(C(=O)NNC(=O)Cc2ccccc2F)c2ccccc2c1=O 6258555 KZAGGXATMULUIH-UHFFFAOYSA-N 382.395 1.949 50 40 GDGB O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1ccccc1-n1cccc1 5423209 VEYAGFPVCMMMRC-UHFFFAOYSA-N 376.416 1.597 50 40 GDGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1cncc(Br)c1 4907137 DZMMKWFBEVPXNR-UHFFFAOYSA-N 390.153 1.839 50 40 GDGB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NN)cc2)cc1Cl 408552659 MSFJFXADOZZVOD-UHFFFAOYSA-N 385.829 1.518 50 40 GDGB Cc1ccc(N2C(=O)N(CC(=O)NNC(=S)NC(C)C)C(=O)[C@@H]2C)cc1 14841402 NEMSXBOHWRPSEV-LBPRGKRZSA-N 377.470 1.056 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc(C)c1Cl 102201416 UULQGIJJFWZALO-JURCDPSOSA-N 396.827 1.361 50 40 GDGB O=C(NNC(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1 3240778 NSVRANNSXHRWJR-UHFFFAOYSA-N 393.490 1.998 50 40 GDGB CN(C)N(C(=O)CCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCS(=O)(=O)C1 12748304 RXQVEYFAEJBJEJ-CQSZACIVSA-N 396.444 1.301 50 40 GDGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3O)CC2=O)cc1 10627185 CJFPWFPVAJTHNQ-CYBMUJFWSA-N 383.404 1.605 50 40 GDGB O=C(NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)C1=COCCO1 12899501 VCSSEVJITORUGG-UHFFFAOYSA-N 398.297 1.246 50 40 GDGB COc1cccc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@H]2C)OCO4)c1O 5956861 JAONDLJNKHLARC-QIGVCLAPSA-N 387.392 1.789 50 40 GDGB CCCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21 1426772 XRCDAMKGUSIPDR-HXUWFJFHSA-N 379.372 1.261 50 40 GDGB C[C@@H]1CCc2sc(C(=O)NNC(=O)Cn3c(=O)n(C)c4ccccc43)cc2C1 14326117 SWLOJZHJPPHGBD-GFCCVEGCSA-N 398.488 1.988 50 40 GDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 6477966 QUZBNGPACKQEJZ-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB COc1ccc(C2=NO[C@@H]3[C@@H]4CO[C@H](O4)/C(=N\NC(=O)c4ccccc4)[C@H]23)cc1 100224031 KZPSFDVJTJLLMF-HWHXYZQNSA-N 393.399 1.955 50 40 GDGB CC/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1CSC1=NCCS1 8771733 HQIPQUTZQOWSBS-FRKPEAEDSA-N 395.474 1.084 50 40 GDGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 28213609 JRLROCDKZJXBGH-UFFVCSGVSA-N 387.461 1.943 50 40 GDGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccncc1)S(C)(=O)=O 20212658 MNYCPESMNPXGSX-VXLYETTFSA-N 380.857 1.960 50 40 GDGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccc(OC)cc1 59490251 ARNDWCVZGXBNIZ-XDHOZWIPSA-N 391.449 1.707 50 40 GDGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@H](OC(=O)[C@H](C)CC)[C@H]12 255897357 LOFBWESEBFUNJU-QQJRSHRVSA-N 392.448 1.895 50 40 GDGB biogenic,in-vitro CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(N)=O)c2)cc1 408922859 GXSNTIOXFZBTLF-VCHYOVAHSA-N 376.394 1.415 50 40 GDGB Nc1ccccc1C(=O)N/N=C1/C2CN3CCN(C2)CC1(c1ccccc1)C3 22920691 BSDPLZFQYYDTBA-GFMRDNFCSA-N 375.476 1.554 50 40 GDGB COc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccccc3C)C2=O)cc1OC 2656228 VXBDEGOBFBPGQA-CQSZACIVSA-N 383.404 1.579 50 40 GDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC=CCC2)c1 14186666 BAPVDCXWBDUEHO-AWEZNQCLSA-N 379.482 1.834 50 40 GDGB CC(C)C[C@@H](C(=O)NNC(=O)c1cccnc1)N1C(=O)c2ccccc2C1=O 97073398 ZUCBKKKFDMKTBT-INIZCTEOSA-N 380.404 1.554 50 40 GDGB CCOc1ncccc1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 6207135 FZCQDTZDKMUJMJ-UHFFFAOYSA-N 397.479 1.454 50 40 GDGB CCCCOc1ccc(C(=O)NNC(=O)c2nc3nccc(C)n3n2)cc1OC 32845600 YHOOUDCTCHSENT-UHFFFAOYSA-N 398.423 1.695 50 40 GDGB CCc1ccc(OCC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)cc1 3381538 ZFDNIXGYOKHGGK-UHFFFAOYSA-N 394.431 1.819 50 40 GDGB CCOC(=O)C(=N/O)/C(C)=N/NC(=O)C(=O)Nc1cc(Cl)ccc1Cl 5298064 DDAHMRCKZVWVGP-NALKXVEFSA-N 389.195 1.817 50 40 GDGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 7386868 FOFZBZVSAOMIFM-UHFFFAOYSA-N 376.360 1.528 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1 8091895 KYGOOXYHWPGBHU-UFFVCSGVSA-N 388.811 1.554 50 40 GDGB CNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 13470813 QREDPXWJCSSHOE-UHFFFAOYSA-N 385.276 1.942 50 40 GDGB C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)COc1ccccc1Cl)CS2 32971055 PXRNJCDCDNOKQT-BZNIZROVSA-N 383.857 1.320 50 40 GDGB NNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 408933842 BPFIMAJKTRNPPR-UHFFFAOYSA-N 398.282 1.630 50 40 GDGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 409134510 RWEFAPVQTSOEHL-XDHOZWIPSA-N 389.433 1.633 50 40 GDGB COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(O)c([N+](=O)[O-])c1 409177013 APVXKNROGUUSMI-FBCYGCLPSA-N 388.336 1.600 50 40 GDGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 409366866 ZRDLGUHALXHXBZ-DJKKODMXSA-N 385.332 1.788 50 40 GDGB Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccc(Br)o2)c1 4662660 NBZVHBUTXUSCKR-UFWORHAWSA-N 394.225 1.996 50 40 GDGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1nc2ccccc2[nH]c1=O 711632 MQMFJBBOKHNACJ-VXLYETTFSA-N 381.348 1.533 50 40 GDGB COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCC(=O)N1CCOCC1 7164037 SFMFATVIDNKLGK-XNTDXEJSSA-N 385.420 1.118 50 40 GDGB CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 15271949 AQOYDSLHVGEJGZ-HNNXBMFYSA-N 396.403 1.971 50 40 GDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccccc1Br 101145093 NJUFNBUOFHKKJI-CPNJWEJPSA-N 377.198 1.418 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc(OC)c1OC 102192529 SZVTZMSBOHFBGJ-CHPZLBCBSA-N 392.408 1.220 50 40 GDGB O=C(NNC(=O)[C@H]1Cc2cncn2C(=O)N1)Nc1cccc(C(F)(F)F)c1 1404762 AIGNIYHVKVQZTJ-LLVKDONJSA-N 382.302 1.237 50 40 GDGB CCCc1c(C(=O)N/N=C(\C)CCc2ccccc2)nnn1-c1nonc1N 5477542 FNNJPWOIBOEGRM-UDWIEESQSA-N 382.428 1.924 50 40 GDGB CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1cnn(Cc2ccccc2)c1 95468766 FLIWEDUIDVRQAO-UHFFFAOYSA-N 387.440 1.607 50 40 GDGB C/C(=N/NC(N)=O)c1sc(-c2nc(C)c(/C(C)=N/NC(N)=O)s2)nc1C 5810432 FLFKFFCPMYWUAY-NORIJPHCSA-N 394.486 1.668 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 6476787 UFLQXRODASHKDL-SSDVNMTOSA-N 398.419 1.217 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 2629110 BVEQWMNNHQSNLV-UHFFFAOYSA-N 386.795 1.670 50 40 GDGB CCCCC(=O)NN/C=C1/C(=O)N=C(O)N(c2cc(OC)ccc2OC)C1=O 1738047 LBONKUGROCVNOA-BENRWUELSA-N 390.396 1.186 50 40 GDGB O=C(NP(=O)(N1CCOCC1)N1CCOCC1)C(Cl)(Cl)Cl 97993321 CUXLRWPSXITZRE-UHFFFAOYSA-N 380.596 1.245 50 40 GDGB Cc1ccc(OCC(=O)NNC(=O)NNC(=O)Cc2ccc(F)cc2)cc1C 102697284 UUGAXWLREDGVLT-UHFFFAOYSA-N 388.399 1.426 50 40 GDGB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/NNC(=O)c1cccnc1 10128097 UKSXPOHGAYQILY-PKNBQFBNSA-N 385.767 1.136 50 40 GDGB Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)C 27202355 SGGAMEAXNVPZIP-YPMHNXCESA-N 384.864 1.564 50 40 GDGB COc1ccc(/C=N/NC(=O)c2cc(C(F)(F)F)n[nH]2)c(C(=O)O)c1OC 36621750 HKRBPELGDOJWMH-KPSZGOFPSA-N 386.286 1.908 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 409111426 CPJTUGIRCKEBLF-VCHYOVAHSA-N 394.384 1.650 50 40 GDGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCC(N)=O 8181839 QAWYYVIGBCPQFB-ZVBGSRNCSA-N 391.811 1.742 50 40 GDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1F 103519677 LEDPKIJRYPRREY-IGVUGNCQSA-N 389.408 1.517 50 40 GDGB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)c1ccccc1 32998176 NFJNBXRRWWUSSN-QGZVFWFLSA-N 387.461 1.224 50 40 GDGB O=C(NNC(=S)NC(=O)c1ccc(Br)cc1)c1ccncc1 32118733 DOJBKTYJCFFFQH-UHFFFAOYSA-N 379.239 1.793 50 40 GDGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 104338282 ICDBABYBPUQORX-UGEDRFTOSA-N 391.449 1.017 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccco2)cc1Cl 16187531 OWYNOYDVKLYJMX-MFOYZWKCSA-N 385.829 1.712 50 40 GDGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)C(=O)Nc1ccccc1 100522828 BSZATJXMLOHYIT-YDZHTSKRSA-N 396.403 1.917 50 40 GDGB COc1ccc(C(=O)NCCC(=O)NNC(=O)c2ccc(C)cc2)cc1OC 41097258 KARGBOYMONUTRV-UHFFFAOYSA-N 385.420 1.593 50 40 GDGB O=C(CCSCc1cn2ccccc2n1)NNS(=O)(=O)c1ccccc1 12544516 OWADCWSTMPDGIH-UHFFFAOYSA-N 390.490 1.967 50 40 GDGB O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1cccc(S(=O)(=O)N2CCOCC2)c1 38374172 RWKCHDSTBUJWCI-KMMUBBLQSA-N 375.450 1.389 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cnc(C)cn1 5636948 JUNUUIWSYGFFJI-UHFFFAOYSA-N 378.772 1.065 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 409175906 DLSCMYHKHGWSJN-VXLYETTFSA-N 387.348 1.919 50 40 GDGB C[C@@H](Oc1ccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc1)C(=O)O 408855936 OVKBSGMAYOCSSX-FGHSJCFPSA-N 387.348 1.976 50 40 GDGB O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(B(O)O)cc2)CC1 584934459 OFDINCQQJDIZDE-UHFFFAOYSA-N 386.644 1.008 50 40 GDGB Cn1c(N/N=C/c2ccc(N(CCCl)CCCl)cc2)cc(=O)n(C)c1=O 4707873 JQZDSZGPCLENPS-UDWIEESQSA-N 398.294 1.814 50 40 GDGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(OC)c2)cc1OC 35785799 JWWLJGVHMQHLMN-FBHDLOMBSA-N 387.392 1.340 50 40 GDGB O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O)c1ccc(Br)o1 226566006 PZDDYPBBRMUQNV-RJVLYZLMSA-N 383.198 1.716 50 40 GDGB CC1(C)Cc2ccccc2/C(=C/C(=O)C(=O)N/N=C2\C(=O)Nc3ccccc32)N1 16605278 BQQZLZHGXSBBLE-BOPFTXTBSA-N 388.427 1.994 50 40 GDGB Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 3614107 CSRIMOWMHHVLGS-UHFFFAOYSA-N 387.461 1.854 50 40 GDGB CC(C)N1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21 6759432 MBPDRPNODUCULJ-HXUWFJFHSA-N 379.372 1.259 50 40 GDGB CCOC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 12604665 ABNRISJXNXZJRV-UHFFFAOYSA-N 393.421 1.887 50 40 GDGB CN(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccc(Cl)cc1 16187181 ODMKPOFFBFXZEK-VCHYOVAHSA-N 381.841 1.816 50 40 GDGB COC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1 58873204 WZFJMRFVEMVWHQ-XKZIYDEJSA-N 383.404 1.395 50 40 GDGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Br)s1 8294842 FLUWSQWWIOZIBB-UHFFFAOYSA-N 393.222 1.822 50 40 GDGB CCc1ccc(N(CC(=O)NN)S(=O)(=O)c2cc(C)ccc2OC)cc1 223467881 GWARWQUTSKDAPE-UHFFFAOYSA-N 377.466 1.751 50 40 GDGB COc1cccc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1OC 408735393 PKPYZDALGLVPDU-KEBDBYFISA-N 384.371 1.647 50 40 GDGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OCC(N)=O)cc1 4454729 DDYMYSJYOBISLC-KRWDZBQOSA-N 389.367 1.875 50 40 GDGB COc1ccc(-n2cnnc2SCC(=O)NNC(=O)c2cccnc2)cc1 32899967 FYSSJRFSTYKFLB-UHFFFAOYSA-N 384.421 1.224 50 40 GDGB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1cccc(Cl)c1 101275204 MCRCFEWQYVPQEG-OKILXGFUSA-N 377.828 1.666 50 40 GDGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)[C@H]1COc2ccccc2O1 102799423 PJICLZBEYVBXMT-LFFOTJSSSA-N 378.388 1.967 50 40 GDGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCCOC)c2ccccc21 1781458 VTSLKKVLWKNHQZ-OAQYLSRUSA-N 395.415 1.645 50 40 GDGB Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 2064457 SSCLHTJNVIHNMG-UHFFFAOYSA-N 388.405 1.618 50 40 GDGB N#Cc1ccc(OCC(=O)NNC(=O)c2cncc(Br)c2)cc1 3287130 VUDGCWGFBVIUPO-UHFFFAOYSA-N 375.182 1.556 50 40 GDGB CN(C)N(C(=O)Cc1csc(-c2cccs2)n1)[C@H]1CCS(=O)(=O)C1 25050958 NSQFWUNLJFEZQU-LBPRGKRZSA-N 385.536 1.906 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 6497021 RGIPIHZCKZPVHI-FSJBWODESA-N 396.447 1.907 50 40 GDGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2F)c2ccccc21 5668290 BOJFEPFEPDSMTA-MOHJPFBDSA-N 380.379 1.609 50 40 GDGB C=CCN1C(=O)/C(=N/NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 18192130 UAXQLRHELNZJOK-VOAXNCLQSA-N 388.427 1.569 50 40 GDGB CC(C)(C)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)C3CC3)CC2)cc1 95469839 BRXAUQYVNKBWQG-UHFFFAOYSA-N 386.496 1.299 50 40 GDGB O=C(N/N=C1/C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccc1O 5685293 XJYICRPKVXHMLZ-DYTRJAOYSA-N 380.404 1.163 50 40 GDGB Cc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12949677 PTXOUOLECCFFNF-AWEZNQCLSA-N 395.415 1.580 50 40 GDGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2)cc1 5928949 NYEIWBILUCCSMG-WSDLNYQXSA-N 396.447 1.987 50 40 GDGB O=C(Cc1cn2ccsc2n1)NN[C@H](C(=O)N1CCOCC1)c1ccccc1 8710112 PDVIWYYVHQPQBN-KRWDZBQOSA-N 399.476 1.159 50 40 GDGB Cc1cc(N2C[C@@H](C(=O)NNC(=O)C3CC3)CC2=O)ccc1Br 40068918 HOYSYCMOALCBJQ-NSHDSACASA-N 380.242 1.668 50 40 GDGB Cn1cc(Br)cc1C(=O)NNC(=O)c1cccc(C[S@@](C)=O)c1 54231062 YOTQGXLKMLJCJC-QHCPKHFHSA-N 398.282 1.741 50 40 GDGB C[C@H](C(=O)N/N=C/c1ccccc1C(=O)O)N(c1ccccc1)S(C)(=O)=O 408907263 NTEJBFHUGQXMQE-KZKLBEMASA-N 389.433 1.690 50 40 GDGB C#CCN1C(=O)/C(=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 4893865 REUGYPVJTJPKPD-RELWKKBWSA-N 393.399 1.826 50 40 GDGB O=C(CNC(=O)c1sc2ccccc2c1Cl)NNC(=O)[C@H]1CCCO1 43108700 FPJQRCNYXXBMIE-SNVBAGLBSA-N 381.841 1.611 50 40 GDGB O=C(CCC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)NCc1ccccc1 4657087 MKUWCWBOMRTTNZ-CABCVRRESA-N 375.425 1.121 50 40 GDGB COc1ccc(C(=O)NNC(=O)CCCCCN2C(=O)CSC2=S)cc1 7777038 YONGDPONZBXXRG-UHFFFAOYSA-N 395.506 1.877 50 40 GDGB O=C(N/N=C1/C(O)=Nc2cc3c(cc21)OCCO3)c1n[nH]c(=O)c2ccccc12 8045328 RSBSSKJQAKXTEN-UHFFFAOYSA-N 391.343 1.430 50 40 GDGB N#Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccc(B(O)O)o3)n2)cn1 585293018 BVRZVPCXNZDMDZ-KRWDZBQOSA-N 390.212 1.097 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 6476791 YAGOTDZFMFFOFS-YDZHTSKRSA-N 394.431 1.765 50 40 GDGB Cc1ccc([C@H](CC(=O)NNC(=O)COc2ccc(C)c(C)c2)NC(N)=O)cc1 12793161 GWHLCNVEOYJBCN-SFHVURJKSA-N 398.463 1.938 50 40 GDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)c1 4699499 LHLPZZIEGRUVMC-RGVLZGJSSA-N 387.392 1.810 50 40 GDGB CC/C(C)=N\NC(=O)c1nnn(-c2nonc2N)c1COc1ccc(F)cc1 9348474 FKZOLLAXPAWLLR-OCKHKDLRSA-N 388.363 1.466 50 40 GDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(O)cc1O 408720815 DOZHENOYIGXVSQ-DNTJNYDQSA-N 393.363 1.230 50 40 GDGB CN(CC(=O)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12)C(N)=O 15659884 VBARZLBACNQJOT-UHFFFAOYSA-N 378.392 1.068 50 40 GDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccco1 32794903 CQYISODHNNRCHG-SNVBAGLBSA-N 392.209 1.856 50 40 GDGB O=C(COc1ccc(Br)cc1)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 726152 DBQXLFXCLOGWLZ-OLZOCXBDSA-N 399.241 1.866 50 40 GDGB NC(=O)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 3228612 YLEGNTIMUMYWCP-SSDVNMTOSA-N 391.387 1.246 50 40 GDGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccccc2Br)n1 12942238 WIGLBABIOAVOPZ-UHFFFAOYSA-N 387.259 1.272 50 40 GDGB O=C(CSCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O 1656011 BJXHONRYWGYJOW-LQGKIZFRSA-N 386.433 1.431 50 40 GDGB C[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN 1558303 DZWKWCBOUNMSHQ-IAQYHMDHSA-N 389.456 1.098 50 40 GDGB CCOC(=O)c1cnc(SCC(=O)NNC(=O)c2ccc(C)cc2)nc1N 2074584 PGOKGCYCJAFQPZ-UHFFFAOYSA-N 389.437 1.097 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccco2)cc1OC 7785864 CNPHZNQTNHCICJ-UHFFFAOYSA-N 375.381 1.268 50 40 GDGB CCS(=O)(=O)C(/C=C(\C#N)S(=O)(=O)c1ccccc1)S(=O)(=O)CC 28294471 ZPFTURHNZFVCKF-JLHYYAGUSA-N 391.492 1.063 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)cc1 8086042 WVXQSCMRSPMBAZ-YDZHTSKRSA-N 396.447 1.853 50 40 GDGB O=C(NNC(=S)NC(=O)C1CC1)c1ccccc1I 2551606 UYFOLLAGRSJXNI-UHFFFAOYSA-N 389.218 1.337 50 40 GDGB O=C(NNC1=NS(=O)(=O)c2ccccc21)c1ccccc1Br 713387 JFCYIFOWPLPBDY-UHFFFAOYSA-N 380.223 1.833 50 40 GDGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1OC 4981072 ICERWVOCXSMKRE-WYMPLXKRSA-N 396.403 1.917 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 6295757 QTSIXINYQQBBDZ-LPYMAVHISA-N 380.404 1.456 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 6544448 DLUGNIUQZTVKST-XDHOZWIPSA-N 391.449 1.475 50 40 GDGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccccc1O 108946530 RBUYQEHQDLVLDI-UYRXBGFRSA-N 375.450 1.347 50 40 GDGB Cc1c(C(=O)N/N=C\c2ccncc2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409058159 ISIBZDKWRJMOQI-KSEXSDGBSA-N 376.351 1.711 50 40 GDGB COc1ccccc1OCCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 12897267 OAQSKLURKZRSEV-UHFFFAOYSA-N 382.376 1.162 50 40 GDGB Cc1nn(C)c(C)c1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 12976110 OODFSCVLWZYRNG-UHFFFAOYSA-N 382.424 1.403 50 40 GDGB COc1ccc(NCC(=O)N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)cc1 38200756 BZXURKFFRMYOAV-PGMHBOJBSA-N 391.424 1.944 50 40 GDGB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1cccnc1 4700508 LBDGWXHRKFSVDC-UHFFFAOYSA-N 397.218 1.805 50 40 GDGB CC(=O)NC1=NC(=O)/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2OC(C)=O)S1 408917183 OJRWRSQARUXYAD-WCIBSUBMSA-N 394.321 1.535 50 40 GDGB CCCn1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1cccnc1 35313882 LSUGTPSXCBFBGW-UHFFFAOYSA-N 386.437 1.896 50 40 GDGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(Br)cc1 107826151 HCWFYCLQARCMQW-DJIHRAIXSA-N 379.210 1.733 50 40 GDGB Cc1cc(C)c(NCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(C)c1 12534340 BRLVESJCUCWUPD-UHFFFAOYSA-N 379.424 1.461 50 40 GDGB Cc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)cc1Cl 20213023 CUFWHHZLBCBNHC-VXLYETTFSA-N 380.857 1.960 50 40 GDGB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)Cn1cnc2ccccc21 12516735 WKTKAUILRVVIKL-CQSZACIVSA-N 395.419 1.499 50 40 GDGB CCOc1ccc(N2C(=O)C[C@@H](NNC(=O)Cc3ccc(OC)cc3)C2=O)cc1 1441522 QUJCINONFGIIOS-GOSISDBHSA-N 397.431 1.589 50 40 GDGB Cc1c(C(=O)NNC(=O)c2ccncc2)sc2nc3n(c(=O)c12)CCCCC3 12923436 ITXBNPDJTZJKKZ-UHFFFAOYSA-N 397.460 1.963 50 40 GDGB Cc1n[nH]c2c1[C@H](c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2 4005043 HCWMCUVDXIYQLT-MRXNPFEDSA-N 381.392 1.767 50 40 GDGB Cc1cccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 20060270 OLDXSZPODNHZRB-WOJGMQOQSA-N 390.421 1.820 50 40 GDGB Cc1cc(/C=N\NC(=O)CN2CCOCC2)c(C)n1-c1ccc(C(=O)O)cc1 16268354 CIBLKQCVSQQMDB-MTJSOVHGSA-N 384.436 1.575 50 40 GDGB COc1ccc(-n2nc(C(=O)NN)c(/C=C/c3ccccc3)c(C#N)c2=O)cc1 5720625 PEALOKJVOSICDS-KPKJPENVSA-N 387.399 1.887 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(F)cc2)c1-c1ccccc1 705549 WBZYNPBNRPEAFP-UFFVCSGVSA-N 392.354 1.803 50 40 GDGB NC(=O)[C@@H]1CC(C(=O)NNC(=O)c2ccccc2Cl)=NN1c1ccccc1 12986690 PHHKMZKAOABJQO-HNNXBMFYSA-N 385.811 1.221 50 40 GDGB C/C(=N\NC(=O)c1cc(O)cc(O)c1)c1cccc(NC(=O)/C=C/C(=O)O)c1 13322025 AHKVKFWZXMDKDO-FXIKFWFJSA-N 383.360 1.831 50 40 GDGB CC/C(C)=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1 13712941 HECRDJMSNUCLLC-IUXPMGMMSA-N 385.344 1.323 50 40 GDGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)C(=O)NCC(C)C 4697820 DVEXVSDCFYQFBH-CIAFOILYSA-N 376.413 1.051 50 40 GDGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 20213487 HUVUSHRUMJDFOV-HYARGMPZSA-N 395.444 1.822 50 40 GDGB CC/C(NNC(=O)c1ccncc1)=C1/C(=O)N=C(O)N(c2ccc(C)cc2)C1=O 9011865 SQTDAYATBPWQKY-FOCLMDBBSA-N 393.403 1.776 50 40 GDGB Cc1ccccc1N1C(=O)/C(=C/NNC(=O)c2ccncc2)C(O)=NC1=S 17124842 UAVTVHKIXUPWIT-JLHYYAGUSA-N 381.417 1.797 50 40 GDGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21 18137107 HQLRIHZGGTXWMX-DTBMRADHSA-N 381.388 1.150 50 40 GDGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 409025697 YWHMMVTUBBZJTA-QGOAFFKASA-N 390.421 1.901 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc(C)c1Cl 5959924 UULQGIJJFWZALO-DHMWGJHJSA-N 396.827 1.361 50 40 GDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccc(C)cc2)cc1 895346 YTLVJARJQQRKCI-UHFFFAOYSA-N 392.433 1.560 50 40 GDGB CC(C)C(=O)NNC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 4861510 KUFJKIVCUGOLEF-UHFFFAOYSA-N 380.495 1.759 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1 58881565 RNVMXOYOAMQHHE-RGVLZGJSSA-N 385.376 1.336 50 40 GDGB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)NNC(=O)c1cccc(N(C)C)c1)(C3)C2 12634134 QKQOHNIZWZDNJD-MBWAJUJLSA-N 398.507 1.989 50 40 GDGB CCN(NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 8051460 UCVUKHXVNPZLPN-UHFFFAOYSA-N 386.477 1.981 50 40 GDGB COc1ccc(OC)c(NC(=O)NNC(=O)COc2ccccc2OC)c1 17076757 LVGNSWBFPRWWRK-UHFFFAOYSA-N 375.381 1.944 50 40 GDGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCC(N)=O 409199717 JGUNSAMDADPSQU-PLVXZXGYSA-N 380.404 1.707 50 40 GDGB O=S1(=O)C[C@@H](Cl)[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 157774280 NIGFSRWDSNYJAO-ZJUUUORDSA-N 378.686 1.676 50 40 GDGB CC(=O)N1CCc2cc(S(=O)(=O)NNC(=O)c3ccccc3Cl)ccc21 8475371 XPIZTPBWXABTIY-UHFFFAOYSA-N 393.852 1.872 50 40 GDGB COC(=O)c1cccc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)n1 58392333 HSDLCFSZVLDXSQ-UHFFFAOYSA-N 390.421 1.066 50 40 GDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(O)c1 8993620 ONWSPBLCQNZONI-LWLPBDFMSA-N 387.417 1.084 50 40 GDGB COc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408536363 RDOMLEWPQMGYDJ-BTZNOAQDSA-N 394.387 1.618 50 40 GDGB Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1 409256004 NFESNBFMSDVJTB-WSDLNYQXSA-N 394.431 1.741 50 40 GDGB CC(C)n1ncc2cc(C(=O)NN(C)c3cnn(C)c(=O)c3Cl)cnc21 40155332 QPUIJMVFNGGIAY-UHFFFAOYSA-N 375.820 1.541 50 40 GDGB Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@H](O)CCl)n2CCc1ccccc1 827961 HSUGFIRYTRKMCH-GFCCVEGCSA-N 394.884 1.358 50 40 GDGB COc1ccc(/C=N/NC(=O)COCC(=O)N/N=C/c2ccc(OC)cc2)cc1 1578496 MYRLLPKHDCFZNW-XHQRYOPUSA-N 398.419 1.321 50 40 GDGB CC(=O)N[C@H](C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 7718213 NIMPWBQWRDMFHI-SECBINFHSA-N 376.240 1.824 50 40 GDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccco1 52410974 CGOBANZTNNGHLI-SNVBAGLBSA-N 392.209 1.856 50 40 GDGB COc1cc(C(=O)NNC2=NS(=O)(=O)c3ccccc32)cc(OC)c1OC 59488064 GJZCUBMCAKBDQN-UHFFFAOYSA-N 391.405 1.096 50 40 GDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc(Br)cc1 409377843 LKXHRZSHWOLMNC-YRORDHRNSA-N 395.209 1.254 50 40 GDGB CCn1c(SCC(=O)NNC(=O)c2ccc(OC)cc2)nnc1C1CC1 1368446 PWUNCKJBAKAGKO-UHFFFAOYSA-N 375.454 1.737 50 40 GDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=C2CCN(C(C)=O)CC2)c1 5591632 DQSVEEQXRAQZKD-UHFFFAOYSA-N 394.497 1.445 50 40 GDGB O=C(CSc1nnc(Cc2ccccc2)[nH]1)NNC(=O)Cc1ccccc1 7604750 FOMULJIWGBGJNO-UHFFFAOYSA-N 381.461 1.878 50 40 GDGB C/C(=N\NC(=O)CCN1C(=O)NC(C)(C)C1=O)c1ccc(-n2ccnc2)cc1 7675039 HVILZKUVEQOQGM-LPYMAVHISA-N 382.424 1.433 50 40 GDGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC(C)C)c2)c1 409151849 IGMHKTHDGAYMSL-WSDLNYQXSA-N 396.447 1.987 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 59959669 GGUJTURYVYYXCC-LPYMAVHISA-N 386.452 1.267 50 40 GDGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(N)=O)c2)cc1OC 409318626 XMXSGOJRSAKHJO-UUYOSTAYSA-N 383.404 1.888 50 40 GDGB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c1 408659446 SJVAZFQPQYGGHY-INIZCTEOSA-N 395.415 1.352 50 40 GDGB CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)N/N=C/c1ccccc1F)O[C@@H]1OC(C)(C)O[C@H]21 4027634 LKYBEVBENAHVPX-CCTZKRBPSA-N 394.399 1.672 50 40 GDGB biogenic CC(=O)N(C(C)=O)N(C)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 4754046 UMNPQLYSLPBUDJ-UHFFFAOYSA-N 375.477 1.598 50 40 GDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1csc(N2CCOCC2)n1 12802806 MAEXUMUSTCRWGM-UHFFFAOYSA-N 390.509 1.957 50 40 GDGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)C[C@H]1SC(=O)NC1=O 15056982 NHNDWXGJSWJPSK-SECBINFHSA-N 392.220 1.261 50 40 GDGB COc1ccc(OC)c(NC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 15934080 LKYGJBXVAHKXGB-UHFFFAOYSA-N 390.352 1.844 50 40 GDGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)c1 20211117 UNVCCUJOKBNURX-YBFXNURJSA-N 392.437 1.015 50 40 GDGB O=C(O)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 408685294 LFXWJZFKSJXBCY-PTEOKISQSA-N 380.194 1.894 50 40 GDGB CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CCCC2=O 4517064 ZOBVIVZGNKIWBR-NRFANRHFSA-N 393.399 1.423 50 40 GDGB Cc1cc(C)c(SCC(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)c(C)c1 8391038 KWPLXJBTVDXJKE-CQSZACIVSA-N 384.523 1.676 50 40 GDGB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1cccs1 12572424 OQHGASJACPNRBC-UHFFFAOYSA-N 380.407 1.371 50 40 GDGB O=C(COc1ccc(Cl)cc1)NNC(=O)COc1ccccc1[N+](=O)[O-] 4960572 BWXQQVQSORADHL-UHFFFAOYSA-N 379.756 1.853 50 40 GDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1OC 5514320 GUHUHIHGGONPQO-SSDVNMTOSA-N 399.403 1.242 50 40 GDGB COc1ccc(/C=N\NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1O 31729689 XZBCVIXLYUQAGL-OCKHKDLRSA-N 387.352 1.581 50 40 GDGB C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NCc2ccco2)cc1 58873023 HXKWGEQQAMOHGB-FMCGGJTJSA-N 398.419 1.117 50 40 GDGB Cc1nc(S(=O)(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cn1C 69949057 QLSDUVGGMYIROC-UHFFFAOYSA-N 380.470 1.777 50 40 GDGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3cccnc3)C(=O)NC2=S)cc1 408755013 SZUZFUCFQLTQRQ-FHOUHHFSSA-N 381.417 1.170 50 40 GDGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccc(CN2CCOCC2)cc1 408995639 MRCGKUVBAZRGOJ-PXLXIMEGSA-N 398.463 1.712 50 40 GDGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 409111026 ARWWHPWLDGDTIM-XDHOZWIPSA-N 389.433 1.772 50 40 GDGB Cc1nn(CCC(=O)NNC(=S)NCc2ccccc2)c(C)c1[N+](=O)[O-] 2735356 RGYONRJEVWTVBK-UHFFFAOYSA-N 376.442 1.494 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)cc1 58880811 QPGHAGIRCDRBRL-SRZZPIQSSA-N 383.404 1.944 50 40 GDGB COc1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1 5453428 CQCAROLVRZJBMS-UFFVCSGVSA-N 391.391 1.827 50 40 GDGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)c3ccccc3O)C(=O)NC2=S)cc1 408763398 NWJKHLLHRLWYSW-ANKPHQHTSA-N 396.428 1.480 50 40 GDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(O)cc1 409016888 UBULUOYMTSKHRU-FYJGNVAPSA-N 383.404 1.394 50 40 GDGB CCS(=O)(=O)[C@H](I)[C@@H](O)c1cccc([N+](=O)[O-])c1 96519258 FNTUOWMMVSGIEA-UWVGGRQHSA-N 385.179 1.824 50 40 GDGB COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1OC 11530284 FGYOOQVGYOIJJI-UHFFFAOYSA-N 392.795 1.975 50 40 GDGB O=C(COc1ccc(/C=N/NC(=O)c2cccnc2)cc1)NC[C@H]1CCCO1 633363 CKBJCNJIQJUANB-TYLRVVQJSA-N 382.420 1.520 50 40 GDGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCCOC)c2ccccc21 2497125 PWVASIYQVGHARU-OAQYLSRUSA-N 393.399 1.092 50 40 GDGB O=C(CNC(=O)Nc1n[nH]c(=S)s1)N/N=C/c1ccc2c(c1)OCO2 17123681 PLKNECCVPATNSS-SYZQJQIISA-N 380.411 1.201 50 40 GDGB CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)CCl)s2)cc1O 33735336 HVUQABDJLJMSLR-CAOOACKPSA-N 397.844 1.513 50 40 GDGB CCCN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccccc2O)c2ccccc21 100180788 KPPHUJYAXMQNON-PTGBLXJZSA-N 380.404 1.399 50 40 GDGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccccc1OCc1ccccc1 942530 MHFFLVXSQXZISI-CIAFOILYSA-N 393.403 1.120 50 40 GDGB Cc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N/NC(=O)C(N)=O)cc1C 5891703 YOGIWKZIZBVCAT-HAHDFKILSA-N 388.468 1.985 50 40 GDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21 18254639 IXCJXLUYZJKVSW-ATJXCDBQSA-N 395.415 1.804 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1OC 19953906 ZDIWBWORXSZBDL-XDHOZWIPSA-N 391.449 1.620 50 40 GDGB CC1(C)[C@]2(CBr)CC[C@@]1(C(=O)NCCN)[C@H](Br)C2=O 103707968 NAUZHLKPFNYNAP-JCOFBHIZSA-N 396.123 1.595 50 40 GDGB CC(C)CC(=O)NNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 24705915 APSBSKUURPKHKN-UHFFFAOYSA-N 381.498 1.427 50 40 GDGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccncc1)S(C)(=O)=O 20212214 TVNVFKCHJYABFT-YBFXNURJSA-N 376.438 1.315 50 40 GDGB NNC(=O)c1cc(I)ccc1I 6224599 CUXZXUZSAXIDNV-UHFFFAOYSA-N 387.946 1.499 50 40 GDGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(F)c2)c2ccccc21 5561215 KQHWZRCZDPGIHU-MOHJPFBDSA-N 378.363 1.056 50 40 GDGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(N)=O)cc2OC)cc1 408923553 JMSVCCFLSOUFFO-VCHYOVAHSA-N 379.394 1.474 50 40 GDGB C[C@H]1CCC[C@@H](OCC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1 95464993 UGZWUSAYBUGEFO-QWHCGFSZSA-N 397.335 1.408 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 6430334 ZBZXVSUNRIPDLX-YDZHTSKRSA-N 396.447 1.989 50 40 GDGB CS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)CC1 14301877 URLVGNFQJAMNPP-UHFFFAOYSA-N 394.280 1.426 50 40 GDGB CN1CCN(S(=O)(=O)C[C@]2(C)[C@@H]3CC[C@@]2(C)C(=O)[C@H]3Br)CC1 34848606 IPLUOSAUUKDXNT-PAPYEOQZSA-N 393.347 1.332 50 40 GDGB CCS(=O)(=O)[C@H](I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96519246 ALWLLQIBCUYGTF-UWVGGRQHSA-N 385.179 1.824 50 40 GDGB Cc1c(C(=O)N/N=C/c2ccccn2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409062168 OWBXQASKYTZIKV-FOKLQQMPSA-N 376.351 1.711 50 40 GDGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)ccc1O 6544406 MIFZHMQVOOLMLA-WOJGMQOQSA-N 377.422 1.172 50 40 GDGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2cccc(O)c2)c(C)c1 6607358 OWXCGCNTBLDKMO-VXLYETTFSA-N 375.450 1.746 50 40 GDGB C=CCNc1nnc(SCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1 8718150 FLDDJBSNCHOELN-UHFFFAOYSA-N 394.438 1.598 50 40 GDGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccc(F)cc1 34896015 FPPHBZJBCIIKJQ-MOSHPQCFSA-N 377.441 1.780 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl 4392864 IYTNAKVQKNFRAU-GFCCVEGCSA-N 388.873 1.308 50 40 GDGB CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1 15756762 GZOANEZELITUJM-UHFFFAOYSA-N 387.417 1.724 50 40 GDGB CO[C@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2O[C@@H]1C1C(C#N)=C(N)SC(N)=C1C#N 20840671 VQNWGPRGHHAATM-WVZRYYJFSA-N 390.465 1.553 50 40 GDGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1c[nH]nc1-c1ccc(F)cc1 100179143 PJNMFJIMXDZFIA-OAHLLOKOSA-N 380.335 1.879 50 40 GDGB CCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(OC)cc3)C2=O)cc1 101781639 ZYTHQDLHBFMYIP-QGZVFWFLSA-N 383.404 1.660 50 40 GDGB COc1cc(OC)cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 3401772 UMBZFVVVNVWMLL-UHFFFAOYSA-N 382.376 1.026 50 40 GDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2OC)c2ccccc21 4616475 WZTAMOUCXVHDDM-NKFKGCMQSA-N 380.404 1.312 50 40 GDGB NNC(=O)[C@@H]1CN(C(=O)c2ccc(Br)cc2)c2ccccc2O1 225330505 QFHUVEBCYIBYDK-AWEZNQCLSA-N 376.210 1.847 50 40 GDGB Cc1c(C(=O)N/N=C\c2cccnc2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409059558 QPMZXGYFWCEEPD-KSEXSDGBSA-N 376.351 1.711 50 40 GDGB COc1ccc(C(=O)NNC(=O)c2ccco2)cc1I 670858 DRNNSUMEEBJGEO-UHFFFAOYSA-N 386.145 1.968 50 40 GDGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3O)C2=O)cc1 2209005 NAZUHRBDHPUDMT-GXDHUFHOSA-N 380.360 1.102 50 40 GDGB Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2cnc3ccccc3c2=O)c1 3375523 CGKUGTJCOBRTLQ-UHFFFAOYSA-N 380.404 1.240 50 40 GDGB O=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1n[nH]c(=O)c2ccccc12 5268453 SWNMPDNNPOVUCA-UHFFFAOYSA-N 392.350 1.323 50 40 GDGB O=C(COc1ccccc1)NN[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 35682709 WZKYGXPKQGLSKH-QGZVFWFLSA-N 398.463 1.729 50 40 GDGB C[C@H](C(=O)NN=C1C(=O)Nc2ccccc21)N(c1ccccc1)S(C)(=O)=O 408923206 GHLXNJJZDGOIDF-GFCCVEGCSA-N 386.433 1.314 50 40 GDGB NC(=O)COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 409251138 OODXHETVUKOKMH-UWVJOHFNSA-N 376.756 1.876 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)cc1OC 20211283 XAHJAVBMFIEIGD-YBFXNURJSA-N 392.437 1.015 50 40 GDGB COc1ccccc1OCC(=O)N/N=C\c1cn(CC(N)=O)c2ccccc12 35073963 UKPGRGZCOLLYQM-YVNNLAQVSA-N 380.404 1.664 50 40 GDGB O=C(NNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 13007920 PNUXCCCHZIBTBL-UHFFFAOYSA-N 386.755 1.904 50 40 GDGB CC(=O)N[C@@H](C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1)C(C)C 23692645 VDDZNIYEDIGQPG-CQSZACIVSA-N 375.347 1.392 50 40 GDGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(OC)c1OC 2190270 KQKRUHBQQXXKGA-KEBDBYFISA-N 375.356 1.940 50 40 GDGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccoc2C)c(C)c1 12783588 JRTGNUKDGMZBLZ-UHFFFAOYSA-N 379.438 1.334 50 40 GDGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCC(N)=O 409199714 JGUNSAMDADPSQU-PDYUXYPTSA-N 380.404 1.707 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccs2)c1-c1ccccc1 3095458 JCTPJYZESAMIGH-GIJQJNRQSA-N 380.393 1.725 50 40 GDGB CN(C)N(C(=O)COc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 8920344 QDTXDMCQHCJNHK-NSHDSACASA-N 381.281 1.865 50 40 GDGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCCOC)=C1C 4517074 NUZXDYPCECKPPL-NRFANRHFSA-N 395.415 1.502 50 40 GDGB Cc1ccccc1C(=O)NNC(=O)CSc1nnnn1[C@@H]1C[C@@H]2CC[C@@H]1C2 100163215 VOCXIHABSFEGLC-UMVBOHGHSA-N 386.481 1.896 50 40 GDGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2C(=O)O)cc1 4673496 JCIJMCGDKUZTGP-UHFFFAOYSA-N 399.403 1.963 50 40 GDGB COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)N2CCCC2)c2ccccc21 5014770 SOTWMBZXJHAXSD-FOWTUZBSSA-N 380.448 1.933 50 40 GDGB O=C(Cc1cn2ccsc2n1)NNS(=O)(=O)c1ccc(F)c(Cl)c1 7409594 NYGGIWLXRWIKDW-UHFFFAOYSA-N 388.833 1.741 50 40 GDGB COc1cc([C@@H]2CC(=O)NC(SCC(N)=O)=C2C#N)cc(OC)c1OC 9087649 IIANNCXUYHXTMS-JTQLQIEISA-N 377.422 1.270 50 40 GDGB CN1C(=O)/C(=C\NNC(=O)c2ccccc2O)C(=O)N(c2ccccc2)C1=S 20025111 JOTHQYFNPUSSHU-SDNWHVSQSA-N 396.428 1.301 50 40 GDGB COc1ccc(C(=O)c2c(CBr)n(C)c(=O)n(C)c2=O)cc1OC 20745492 GOSZZHJYCMIRKD-UHFFFAOYSA-N 397.225 1.227 50 40 GDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1 58880690 CMJDTGZVPREUAS-FYJGNVAPSA-N 388.468 1.443 50 40 GDGB COc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC 408734678 BSIDERRAEOKOBL-KEBDBYFISA-N 384.371 1.647 50 40 GDGB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccccc3)C2=O)cc1 17170600 MTRBLYNEOALWDB-FQEVSTJZSA-N 380.404 1.223 50 40 GDGB CCNC(=O)/C(C#N)=C\N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 36589865 WCGCOIXNUNCODR-ABRZIQGFSA-N 390.490 1.305 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 6610140 DFQZTHLJQUNXMG-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB CCn1nc(C(=O)NNC(=O)CNc2cccc(OC)c2)c2ccccc2c1=O 12534521 XXMYYWGUNQXGOW-UHFFFAOYSA-N 395.419 1.298 50 40 GDGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 6829263 JNCGOGZEMOWOLA-UHFFFAOYSA-N 382.258 1.283 50 40 GDGB Cc1cc2c(c(=O)n1CCN(C)C)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 9355672 LWGGNASDGQRDTC-NRFANRHFSA-N 391.431 1.043 50 40 GDGB O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)c1cc2c(s1)CCCC2 6944054 RFNSJDGOQAFVPT-UHFFFAOYSA-N 383.429 1.684 50 40 GDGB COC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@H](C)C2)nc2c(C)cccn2c1=O 18213481 WPRUUYDQXUUIGS-OTNVUEBDSA-N 382.420 1.697 50 40 GDGB Cc1ccc(Cn2nc(C)c(C(=O)NNC(=O)C(=O)NC3CC3)c2Cl)cc1 9889327 MIVCHEKHDNNVHB-UHFFFAOYSA-N 389.843 1.241 50 40 GDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 28215072 SZMQCSXSSBIWCL-UFFVCSGVSA-N 387.465 1.622 50 40 GDGB O=S1(=O)C[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](Cl)C1 157773993 NIGFSRWDSNYJAO-UWVGGRQHSA-N 378.686 1.676 50 40 GDGB CCCN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccc(OC)cc2)c2ccccc21 100180835 LZMWMLOMHKITRD-LYBHJNIJSA-N 394.431 1.702 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc(C)c1Cl 102201414 UULQGIJJFWZALO-VIRABCJISA-N 396.827 1.361 50 40 GDGB O=C(CNC(=O)c1ccco1)NNC(=O)COc1ccccc1-c1ccccc1 7654252 RJMUHBGIQUSWOV-UHFFFAOYSA-N 393.399 1.903 50 40 GDGB O=C(CCCl)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 12310268 FYQSIRVMHKCTAD-UHFFFAOYSA-N 389.822 1.627 50 40 GDGB O=C(CCCCC(=O)NNC(=O)c1ccccc1)NNC(=O)c1ccccc1 100034502 JTTPDFQOYQTLCS-UHFFFAOYSA-N 382.420 1.469 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)Oc2c(C)cc(C(=O)NN)cc2C)cc1 256049728 BDTCGOBQFDGPRE-UHFFFAOYSA-N 377.422 1.633 50 40 GDGB CCN1C(=O)/C(=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c2ccccc21 5456045 FRMMCADSDOIERJ-HEHNFIMWSA-N 375.392 1.227 50 40 GDGB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\NNC(=O)c1ccccc1 9329662 BSOYHBVXLXBSIA-SSZFMOIBSA-N 382.420 1.774 50 40 GDGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1)NCc1ccccc1 409251199 OWGCKFIAVVYEJA-YDZHTSKRSA-N 394.431 1.111 50 40 GDGB O=C(CSc1nc(-c2ccccc2)n[nH]1)NNC(=O)c1cccc([N+](=O)[O-])c1 9805523 QAJXUCTYZSOLQR-UHFFFAOYSA-N 398.404 1.933 50 40 GDGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 38165757 DGGOMCFCSWJZCA-CAOOACKPSA-N 387.308 1.931 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)ccc1Cl 102203607 ZJHXZAWJJOOHEP-QMMBQJITSA-N 380.828 1.922 50 40 GDGB COc1cccc(NC(=S)NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 2735362 YRJSLQLTQIWPMA-UHFFFAOYSA-N 392.441 1.825 50 40 GDGB CN1CCN(CCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 25315591 GTWJHGJKMFFTHS-YBFXNURJSA-N 385.371 1.284 50 40 GDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 101314348 WZDZKFOXTBKTQD-DRYFDLRVSA-N 376.862 1.662 50 40 GDGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)s1 65553651 ORYJDOPHNMOHNS-UHFFFAOYSA-N 378.273 1.781 50 40 GDGB O=C(/C=C/c1c(Cl)cccc1Cl)NNC(=O)[C@@H]1CCS(=O)(=O)C1 7956219 ZITIDXGCOSDSLB-XNPJLODASA-N 377.249 1.589 50 40 GDGB O=C(NNc1ncccc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1 96511497 HZWONSILODQECQ-UHFFFAOYSA-N 396.856 1.513 50 40 GDGB Cc1csc(=O)n1CC(=O)NNS(=O)(=O)c1c(Cl)cccc1Cl 32855693 MKXPXBHUQXJWOA-UHFFFAOYSA-N 396.277 1.535 50 40 GDGB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNc1cc(C(=O)O)ccc1Cl 103294026 SMRMMSSSFKVWKY-RYUDHWBXSA-N 391.811 1.823 50 40 GDGB CCOc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc([N+](=O)[O-])c1O 31875865 XWRQZMXBEYNTBT-OSSOMXAKSA-N 387.348 1.989 50 40 GDGB COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)cc1 100338815 GGDRBTBBPISRGN-LYBHJNIJSA-N 394.431 1.701 50 40 GDGB CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Br)cc2)s1 1958358 UKMLHOKYYHVTRG-VIZOYTHASA-N 382.243 1.952 50 40 GDGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)COc1ccc(Cl)cc1Cl 8873239 QYMCQJMLAFTHQN-VIZOYTHASA-N 388.171 1.459 50 40 GDGB COc1ccc(CN2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101318572 JQMXTRCHNWNODS-BLCHQYFCSA-N 388.898 1.531 50 40 GDGB COc1ccccc1/C=N/NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 409129680 RYFBGIHAVZPASG-YBFXNURJSA-N 379.413 1.751 50 40 GDGB COc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 32116341 PQNAYISCQBCJAC-UHFFFAOYSA-N 394.409 1.097 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(C)c2)cc1 16348946 HZAQNZGWWKCYHJ-XDHOZWIPSA-N 375.450 1.774 50 40 GDGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 2542055 BYJZPGIJIROHHN-KPSZGOFPSA-N 380.290 1.324 50 40 GDGB COc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 6584143 QHOMBYDBFXFPBO-XDHOZWIPSA-N 375.450 1.607 50 40 GDGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)c2ccco2)C(C)C)cc1 14161955 UFZGFMMQZJXXHA-OAHLLOKOSA-N 379.438 1.352 50 40 GDGB O=C(CCN1CCOCC1)N/N=C/c1ccc(I)o1 19229037 MDLADGHEYWDLGZ-NTEUORMPSA-N 377.182 1.057 50 40 GDGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1O 408768274 DQRQHGAUASZTFL-XDHOZWIPSA-N 379.413 1.838 50 40 GDGB O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1 1345751 VNVMMOSINWSHHU-UHFFFAOYSA-N 393.490 1.610 50 40 GDGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cccnc2)cc1OC 2316722 IQUDNPRJLCESBK-SOFGYWHQSA-N 386.433 1.448 50 40 GDGB Cc1ccc(C(=O)NNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)c1 8718313 JAKIWBHUTCLBNW-UHFFFAOYSA-N 386.452 1.565 50 40 GDGB COc1cc(CCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1 12974279 DZWQOKKPHHOUCO-GOSISDBHSA-N 386.404 1.624 50 40 GDGB COc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1OC 29754818 VVBAADHGBKRZBW-CQSZACIVSA-N 385.424 1.171 50 40 GDGB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1cccnc1 103916806 FPRWITTYXORCIQ-WJDWOHSUSA-N 380.364 1.921 50 40 GDGB COc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3)C2=O)cc1 4857133 OQMMUJZFPNENJN-RVDMUPIBSA-N 380.360 1.097 50 40 GDGB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/NNC(=O)c2ccncc2)C1=O 6784214 BAUBKDXDHPGWKY-QBFSEMIESA-N 395.375 1.722 50 40 GDGB Cc1ccc(C(=O)NCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)s1 9915608 GDZGZNRSCKKHHZ-UHFFFAOYSA-N 383.433 1.638 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(Br)s1)c1cc(C2CC2)[nH]n1 71283995 QBYNHDWVMKAOPB-UHFFFAOYSA-N 391.272 1.734 50 40 GDGB CCOC(=O)c1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3C)C2=O)cc1 102314284 HWRSCIZQDXXXBJ-KRWDZBQOSA-N 395.415 1.738 50 40 GDGB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccccc3O)C2=O)cc1 408529178 CJFUFQSTHQQUNZ-ANKPHQHTSA-N 396.359 1.016 50 40 GDGB COCc1c(C(=O)N/N=C/c2cccc3ccccc23)nnn1-c1nonc1N 1058797 VVKWYFAYAFLLCA-AWQFTUOYSA-N 392.379 1.296 50 40 GDGB COC(=O)c1cccnc1NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 2959855 KDDIINDOQLVNKN-UHFFFAOYSA-N 375.366 1.408 50 40 GDGB Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 12289541 KRIKVWMSVLHMBF-UHFFFAOYSA-N 388.405 1.618 50 40 GDGB COc1cc(/C=N/NC(=O)Cn2nnc3ccccc32)cc(OC)c1OC(C)=O 13943388 CSKPDZPAOJGHKR-KEBDBYFISA-N 397.391 1.524 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(C)(=O)=O)cc1 20060343 NHGZVIUHQBFHFK-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 68933393 LEKZZCQYWHLJNW-LBPRGKRZSA-N 386.339 1.548 50 40 GDGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(CC(N)=O)c2ccccc21 4177945 MQZYNFMFBWBUFA-OAQYLSRUSA-N 392.415 1.124 50 40 GDGB CC(C)CN1C(=O)[C@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2ccccc21 72405652 QPFLDTYSMQOWID-NRFANRHFSA-N 378.432 1.814 50 40 GDGB O=C(COC(=O)c1cc(Br)ccc1O)NNC(=O)c1cccs1 12927616 CLVMYXSYIBLOBY-UHFFFAOYSA-N 399.222 1.834 50 40 GDGB NC(=S)NNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 4854922 XFZLTUMMUXGLGT-UVTDQMKNSA-N 385.405 1.230 50 40 GDGB O=C(COc1ccccc1)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408530170 LLLHTMMVRVTTNG-DEDYPNTBSA-N 384.392 1.961 50 40 GDGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2ccc(Br)o2)cc1 4544282 ZRKQTOYZZJGOQS-DJKKODMXSA-N 394.225 1.860 50 40 GDGB Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccc(CS(C)(=O)=O)cc1 6558300 DZLSFHNXUBOADI-UHFFFAOYSA-N 390.461 1.688 50 40 GDGB COc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408538245 ZMVNARXHHGKPIW-SCEQWVIRSA-N 398.419 1.294 50 40 GDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1F 103519675 LEDPKIJRYPRREY-ZMTLZGASSA-N 389.408 1.517 50 40 GDGB O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)c1cccc(Cl)c1 6559996 YWKPKXXETMBEGY-UHFFFAOYSA-N 381.841 1.470 50 40 GDGB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNc1cc(C(=O)O)ccc1Cl 9741590 SMRMMSSSFKVWKY-VXGBXAGGSA-N 391.811 1.823 50 40 GDGB CCOc1ccccc1OCC(=O)NNC(=O)c1cnc2c(C)cccn2c1=O 95459398 WJLJZWMZMKUMJG-UHFFFAOYSA-N 396.403 1.242 50 40 GDGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCC)c(O)c2)s1 408731663 OOUZQGLAOAZDAD-RQZCQDPDSA-N 393.425 1.904 50 40 GDGB CCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2O)c1 12867043 HNTXTRRSOCXNPE-UHFFFAOYSA-N 377.422 1.155 50 40 GDGB COC(=O)COc1ccc(/C=N\NC(=O)CNC(=O)c2cccc(C)c2)cc1 33562684 ZZIPMKVUWHBXDC-JJFYIABZSA-N 383.404 1.427 50 40 GDGB N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccc3c(c2)OCO3)n1 910143 YUPCSKKSDPXCKS-AWQFTUOYSA-N 375.348 1.091 50 40 GDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c(OC)c1OC 2209937 NYYCYOWKEDCBOY-OAHLLOKOSA-N 383.404 1.938 50 40 GDGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2F)cc1C 2627101 ADWINZKKZLDBRF-UHFFFAOYSA-N 393.440 1.572 50 40 GDGB CC(=O)N[C@@H](C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 7718204 NIMPWBQWRDMFHI-VIFPVBQESA-N 376.240 1.824 50 40 GDGB CN1CCN(S(=O)(=O)C[C@@]2(C)[C@H]3CC[C@@]2(C)C(=O)[C@@H]3Br)CC1 102138335 IPLUOSAUUKDXNT-NEBZKDRISA-N 393.347 1.332 50 40 GDGB NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 409250179 LNUDZPQNHDRTTC-UWVJOHFNSA-N 376.756 1.876 50 40 GDGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 409379330 WERPIKIYNRZMTJ-WMHQRMGPSA-N 385.420 1.565 50 40 GDGB CCOc1ccc(N2C(=O)N=C(O)/C(=C\NNC(=O)c3ccncc3)C2=O)cc1 6784042 DACTWVOJSOCKQL-RVDMUPIBSA-N 395.375 1.722 50 40 GDGB CCOC(=O)CS[C@@H]1NC(Cl)=C(C#N)[C@@](C#N)(C(N)=O)C1(CC)CC 22172480 SRVUTYKQMBPSJG-HOCLYGCPSA-N 384.889 1.988 50 40 GDGB COc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCC(=O)N1CCOCC1 33578735 IIUMWYZBJZNUJK-UUYOSTAYSA-N 398.419 1.092 50 40 GDGB O=C(COc1ccccc1)NNC(=O)CSc1nnc(Cc2ccccc2)o1 7604888 NHEGYRXLPZDQSH-UHFFFAOYSA-N 398.444 1.979 50 40 GDGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cc([N+](=O)[O-])ccc1Cl 3377241 XUBZLEOMZHLKPU-UHFFFAOYSA-N 387.739 1.560 50 40 GDGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(C(=O)O)cc3)CC2)cc1 19367408 QKIRYKVAQVKZRJ-OEAKJJBVSA-N 394.475 1.961 50 40 GDGB CCc1ccc(OCC(=O)NNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 7982258 HOZJQWXAHYCQBH-UHFFFAOYSA-N 394.431 1.645 50 40 GDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2[nH]c3c(c2c1)CCCC3 9930607 SUZDSWDPBOGLJA-LBPRGKRZSA-N 375.450 1.242 50 40 GDGB O=C(CBr)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 78547031 UOUCVMWFZDWWCO-UHFFFAOYSA-N 382.663 1.939 50 40 GDGB Cc1cccc(C(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)c1 817570 NLFNYYWJIANMFT-QOCHGBHMSA-N 378.432 1.765 50 40 GDGB Cc1sc2nc(SCC(=O)NNC(=O)c3ccco3)[nH]c(=O)c2c1C 4861524 FZEFXSJRTGKWTB-UHFFFAOYSA-N 378.435 1.748 50 40 GDGB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c2ccco2)c1C 14201220 ISXREOUPSYRDBI-CQSZACIVSA-N 393.465 1.641 50 40 GDGB O=C(Cc1ccc([N+](=O)[O-])cc1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 3069528 GDCFWUMMNXGCTK-UHFFFAOYSA-N 380.338 1.055 50 40 GDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(C)cc2)cc1OC 6840347 KLFLWSCSEFHTTL-YBFXNURJSA-N 391.449 1.441 50 40 GDGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(OC)c2O)s1 59498747 CXQBAUPRQLKIOH-RQZCQDPDSA-N 377.426 1.684 50 40 GDGB Cn1nc(C(=O)NNC(=O)Cc2ccc3c(c2)CCCC3)c2ccccc2c1=O 13004331 ZKIKOZHVRLHMPO-UHFFFAOYSA-N 390.443 1.816 50 40 GDGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)c1 9114112 PARKOGMNAOYRHW-UHFFFAOYSA-N 390.421 1.283 50 40 GDGB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 7735253 JTPDGOVBPGIHLP-UHFFFAOYSA-N 386.389 1.218 50 40 GDGB O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)N/N=C/c1ccn(CC(F)(F)F)n1 252508956 XZBWWSZPRIJEHL-YAXRCOADSA-N 393.713 1.744 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)COc1ccc(C)nc1[N+](=O)[O-] 5225891 DSIZRHZVUAQBRB-UHFFFAOYSA-N 394.771 1.800 50 40 GDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 5704243 ZWWKZFYWYVUBQB-LLVKDONJSA-N 384.367 1.301 50 40 GDGB Cc1ccc(-n2nnc3c(N4CCN(C(=O)CCCl)CC4)ncnc32)cc1 12310203 RGBXUEQJKKGLTI-UHFFFAOYSA-N 385.859 1.796 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C 6953959 OLTTZXMHGKJUQF-FSJBWODESA-N 396.447 1.907 50 40 GDGB CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2OC)C1 40059807 OZBLFMJQHPRNRI-LLVKDONJSA-N 383.832 1.978 50 40 GDGB O=P1(NCCCl)OCC2(CO1)COP(=O)(NCCCl)OC2 1760873 BQNMCPBUDBYXGJ-UHFFFAOYSA-N 383.105 1.939 50 40 GDGB O=C(NCc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1O 3097935 KMFYTOAPFIBNHM-VXLYETTFSA-N 376.210 1.921 50 40 GDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H]2C=CCC2)c1 12862124 MUIAZOTYYNBDFD-CQSZACIVSA-N 379.482 1.834 50 40 GDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2)c1 39986679 OBGQWRFKRRHADV-UNOMPAQXSA-N 391.449 1.475 50 40 GDGB CCCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3O)C2=O)cc1 100129699 VTJIVJXXHJPGSJ-INIZCTEOSA-N 383.404 1.748 50 40 GDGB COc1ccccc1OCC(=O)NNC(=O)CCc1nc2ccccc2c(=O)[nH]1 36396526 GJFQLQDNTZCCQH-UHFFFAOYSA-N 396.403 1.091 50 40 GDGB Cc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccncc3)C(O)=NC2=S)cc1 9046169 NZEFQHGBWWZJPL-GXDHUFHOSA-N 381.417 1.797 50 40 GDGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3ccccc3)C(=O)NC2=S)cc1 408758577 MYCAWCZZTLZAEC-PFHZTYADSA-N 380.429 1.775 50 40 GDGB Nc1nccnc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 11241736 HRSMJMPBLGJBSS-UHFFFAOYSA-N 384.223 1.986 50 40 GDGB Cc1cccc(OCC(=O)NCC(=O)N/N=C(/CCC(=O)O)c2ccccc2)c1 4822405 AFQZRQXNPWDLIP-NKFKGCMQSA-N 397.431 1.875 50 40 GDGB COc1ccccc1C(=O)NCC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C 18103469 SXCBBLIAXDYWEM-OAHLLOKOSA-N 399.447 1.657 50 40 GDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1c(F)cccc1F 408616077 VLBMRYWDIKBBFN-JTQLQIEISA-N 377.322 1.918 50 40 GDGB O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1cc(=O)[nH]c(=O)[nH]1 73114020 SXLLQTNEITYMMY-GRSHGNNSSA-N 398.250 1.111 50 40 GDGB COc1ccc(/C=N\NC(=O)CNC(=O)c2ccncc2)cc1Br 30731323 OITRVTSLZHLJAR-UKWGHVSLSA-N 391.225 1.733 50 40 GDGB COc1ccc(C2=NO[C@H]3[C@H]2/C(=N/NC(=O)c2ccccc2)[C@@H]2OC[C@H]3O2)cc1 12420504 KZPSFDVJTJLLMF-AEEVVIKHSA-N 393.399 1.955 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)CCNC(=O)c2ccco2)ccc1Cl 14232446 KGQUBVGUQGEXND-UHFFFAOYSA-N 379.800 1.588 50 40 GDGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)CNc2cccc(C)c2)c2ccccc21 5695072 USHJTSWQPBKVQR-HIXSDJFHSA-N 394.431 1.837 50 40 GDGB CCN1C(=O)/C(=N/NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 15974034 MMHOZUSRRXKPKV-AGZRULIGSA-N 376.416 1.403 50 40 GDGB Cn1c(O)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(=O)c2ccccc21 17160184 KLYFVAZPQWFCCW-UHFFFAOYSA-N 382.332 1.227 50 40 GDGB COc1ccc(CC(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 30579380 ILJUMLYFFPKNRG-OAHLLOKOSA-N 385.420 1.531 50 40 GDGB CCOc1ccc(N2C(=O)C[C@H](NNC(=O)Cc3ccc(F)cc3)C2=O)cc1 95351765 MJBUXLTUPYSFGT-KRWDZBQOSA-N 385.395 1.720 50 40 GDGB Cc1ccc(C)c(OCC(=O)NNC(=O)CSC(=S)N2CCCC2)c1 12870559 RACAPTNMOQNFSG-UHFFFAOYSA-N 381.523 1.944 50 40 GDGB CC(C)n1nc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c2ccccc2c1=O 13017400 WQIMAMPUHJGGQN-UHFFFAOYSA-N 394.387 1.781 50 40 GDGB Cc1cc(C)nc(NNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 13729169 NBTQRRUBOHWBPN-UHFFFAOYSA-N 389.481 1.637 50 40 GDGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2-n2cnnn2)cc1 68746093 QTNXVGBDOXEITD-ZDUSSCGKSA-N 396.407 1.290 50 40 GDGB CCOc1ccc(/C=N/NC(=O)COc2nsnc2N2CCOCC2)cc1 5906772 FLEPPPARAZAPKX-WOJGMQOQSA-N 391.453 1.303 50 40 GDGB COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 2622241 RKFUOVVOMXOMBE-UHFFFAOYSA-N 388.336 1.012 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cc(C)cc1C 6606840 FSZFNLKDOVBPJH-FOKLQQMPSA-N 396.447 1.825 50 40 GDGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1)S(C)(=O)=O 409120210 YQNGSEJXNQWOMY-DEDYPNTBSA-N 386.433 1.749 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cncn1-c1ccc(F)cc1 7050402 AXSLWIURWDTLLO-UHFFFAOYSA-N 378.360 1.774 50 40 GDGB COc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)c(OC)c1OC 223163185 JRWZPFQHCJVRGI-XKZIYDEJSA-N 385.420 1.521 50 40 GDGB O=C(COc1ccc(Cl)cc1Cl)NN=c1c(=O)c2ccccc2c1=O 2582107 ZLFFYSOXGPRDNE-UHFFFAOYSA-N 377.183 1.754 50 40 GDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC=CCC2)c1 14186668 BAPVDCXWBDUEHO-CQSZACIVSA-N 379.482 1.834 50 40 GDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccnc2)c1 27766392 ZXJCVEYTSBUCEF-UHFFFAOYSA-N 376.438 1.187 50 40 GDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 101315562 NXFTZIPINQAKHS-WBWGMUNBSA-N 390.889 1.704 50 40 GDGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccco1 7784915 BOTDTKMYWJDMNI-QGMBQPNBSA-N 380.198 1.817 50 40 GDGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3ccc(=O)[nH]c3)cc2)cc1 12781575 KGLAHRXCOMTDOG-UHFFFAOYSA-N 388.383 1.754 50 40 GDGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1OC 4476304 KEWRULUCKSCPRP-INIZCTEOSA-N 386.360 1.376 50 40 GDGB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 29747769 ZYQSWUFUVGIGTA-BLDNINTCSA-N 395.364 1.897 50 40 GDGB biogenic O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 891452 IDGDUPXDTCWIHO-UHFFFAOYSA-N 387.461 1.936 50 40 GDGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(OCC(N)=O)cc2)C(C#N)=C(N)O1 808936 CUGQBFBEOLWKKP-KRWDZBQOSA-N 385.420 1.974 50 40 GDGB O=C(NC[C@@H]1CCS(=O)(=O)C1)OCC(Br)Br 59568566 JUMGBGGLVLQCIA-LURJTMIESA-N 379.070 1.263 50 40 GDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 101318046 YLJUXZOQFCHOPH-CQVMYXHLSA-N 388.854 1.256 50 40 GDGB COCc1[nH]nc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)C(C#N)=C(N)O2 5130492 DGYYTNLOIYWRSM-UHFFFAOYSA-N 375.429 1.911 50 40 GDGB O=C(NNC(=O)c1cc(Cl)ccc1O)c1csc(N2CCOCC2)n1 39976153 WOPWURBUUGJYML-UHFFFAOYSA-N 382.829 1.414 50 40 GDGB N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2)c2ccccc21 6229017 LAFUSEVNCXVGNI-PLRJNAJWSA-N 389.415 1.587 50 40 GDGB COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1c(C)nc2ccccn12 8746288 CUPYRDKDMDMRRL-UHFFFAOYSA-N 394.434 1.114 50 40 GDGB Cc1ccc(N2C(=O)NC(=O)/C(=C/NNC(=O)c3ccccc3)C2=O)c(C)c1 16284842 LBWIGHGZHXCEAX-PTNGSMBKSA-N 378.388 1.705 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1Cl 8091898 YYWYOJRDGXACHG-UFFVCSGVSA-N 388.811 1.554 50 40 GDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccnc1 57499767 NCURSBBBHVCSOQ-GFCCVEGCSA-N 392.337 1.915 50 40 GDGB CC(C)c1c(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])nnn1-c1nonc1N 1897218 UNCNBPIFQMFIRA-REZTVBANSA-N 385.344 1.028 50 40 GDGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cc(OC)ccc2OC)c1 59515470 ZYHRBJZJJICNCW-RGVLZGJSSA-N 387.392 1.810 50 40 GDGB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CN1CCCc2ccccc21 58419298 IOEAFLGDBKRCHF-CYBMUJFWSA-N 376.457 1.500 50 40 GDGB O=C(CSc1nc2ccccc2o1)NNC(=O)[C@H]1COc2ccccc2O1 10962816 RTTVAKPGOSYTNF-OAHLLOKOSA-N 385.401 1.907 50 40 GDGB CC1(C)CC(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)CC(C)(C)N1 5482190 FQWOWHJQUSKFCV-VXLYETTFSA-N 391.428 1.176 50 40 GDGB O=C(CCC(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)NCc1ccccc1 6864182 MKUWCWBOMRTTNZ-GJZGRUSLSA-N 375.425 1.121 50 40 GDGB CN(CC(=O)NNC(=O)C[C@H]1C=CCC1)S(=O)(=O)c1ccc(Cl)cc1 12851162 OZYZJQOTTVSMIG-LBPRGKRZSA-N 385.873 1.464 50 40 GDGB CCCOc1ccc(C(=O)NNC(=O)c2cnc3ccccn3c2=O)cc1OC 12884303 GRCZDEAXKVOHJP-UHFFFAOYSA-N 396.403 1.567 50 40 GDGB CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1 14921948 XPOROOXAPXMJRF-WYMPLXKRSA-N 395.419 1.878 50 40 GDGB Cc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)cc1 2728316 FHHQJVPZGAFUON-HNNXBMFYSA-N 381.388 1.333 50 40 GDGB CCOC(=O)NNS(=O)(=O)c1cc(OC)c(OC)cc1Br 12978788 SSJVXCODUPLZIU-UHFFFAOYSA-N 383.220 1.406 50 40 GDGB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1C 5326291 RREARXGRGZSIHH-UHFFFAOYSA-N 387.392 1.426 50 40 GDGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNc2ccc(C)cc2)c2ccccc21 5696106 DBQRNUNBNWURMR-NMWGTECJSA-N 380.404 1.447 50 40 GDGB Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 13026649 PXTKTCQMNCRSIM-UHFFFAOYSA-N 379.350 1.225 50 40 GDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cncc(Br)c1 40159690 XGHRGJIKDYYQEW-CYBMUJFWSA-N 378.182 1.445 50 40 GDGB Cc1cc(/C=N\NC(=O)CN2CCOCC2)c(C)n1-c1cccc([N+](=O)[O-])c1 59246430 VUJRUAYYVZFDKM-NDENLUEZSA-N 385.424 1.785 50 40 GDGB Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccc(Br)o2)c(C)o1 5062749 YAQRUHDHHNSRST-UHFFFAOYSA-N 384.186 1.443 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)c2cccs2)cc1 6508936 XPPOJWRCPNVMJD-AWEZNQCLSA-N 393.490 1.671 50 40 GDGB NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 409267444 UVBFDSRWVAGYKO-UWVJOHFNSA-N 376.756 1.876 50 40 GDGB CCOC(=O)[C@H]1[C@@H](c2ccccc2Cl)[C@H]2C(=O)N[C@@]1(C)NC2=C(C#N)C#N 100253692 FDDGIIBOFNSDDD-NRTGNBEESA-N 384.823 1.970 50 40 GDGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccn2)S(C)(=O)=O)cc1 8223231 LIPGSLUKRFXCKS-KZKLBEMASA-N 376.438 1.395 50 40 GDGB Cc1ccccc1C(=O)NN/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 408536774 XYYFGBJLTYETAL-RVDMUPIBSA-N 378.388 1.705 50 40 GDGB COCc1cc(C)nc(NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1C#N 408722239 RWELDDVZHBNEMA-UHFFFAOYSA-N 386.324 1.981 50 40 GDGB CCOC(=O)CN1C(=O)/C(=C(\C#N)C(=O)Nc2cccnc2)c2ccccc21 409391377 YKSGVMDYQDLUSS-OBGWFSINSA-N 376.372 1.907 50 40 GDGB O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc2c(c1)OCO2 6602910 MCTBYNSJZBRPCF-UHFFFAOYSA-N 389.795 1.650 50 40 GDGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 8138177 JBMCYEQRXAUWBK-SJCJKPOMSA-N 385.468 1.938 50 40 GDGB O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)NC[C@H]1CCCO1 28214953 APOCGKBMACDXDE-BYWZACNXSA-N 382.420 1.520 50 40 GDGB N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@H]1c1ccc(F)cc1 6495403 QJVREIOBAFXMNK-AWEZNQCLSA-N 375.425 1.756 50 40 GDGB COCCNC(=S)NNC(=O)c1cccc(I)c1 42083670 QIPVTWBQIHVTHJ-UHFFFAOYSA-N 379.223 1.047 50 40 GDGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/C1CCCCC1 25760486 ROJNOZKHIGIZIL-VXLYETTFSA-N 389.464 1.370 50 40 GDGB COC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1 58873136 JZHHKVPANGHQIM-UCQKPKSFSA-N 397.431 1.438 50 40 GDGB O=C(Cc1cccc2ccccc12)NNC(=O)Cn1ncc(=O)c2ccccc21 12931673 LCTRTYNSLWORQI-UHFFFAOYSA-N 386.411 1.940 50 40 GDGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1ccc2c(c1)OCO2 408732334 UQIBUAYCEQPWST-OMCISZLKSA-N 381.801 1.137 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 6326066 NILIELWEAKVXOK-FSJBWODESA-N 396.447 1.907 50 40 GDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)O 13348640 VWIRDPFDAAYOFD-UHFFFAOYSA-N 379.350 1.225 50 40 GDGB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 26692805 XAMWLRWDCNNPNW-HZPDHXFCSA-N 387.392 1.021 50 40 GDGB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2cccs2)c1 2618691 OMINAVZZRZZFQN-UHFFFAOYSA-N 389.433 1.099 50 40 GDGB Cc1ccccc1S(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccccn2)C1 18192678 BPDLRHDIUDVHKO-WMRWHDLOSA-N 386.477 1.941 50 40 GDGB COc1cccc(N(CC(=O)NN)S(=O)(=O)c2cc(C)ccc2OC)c1 223467633 ZOGPXMCUNVSYGZ-UHFFFAOYSA-N 379.438 1.197 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 6581649 UZYLDLATKHKULV-XDHOZWIPSA-N 375.450 1.607 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 8571336 GJNQUXHGKFOORI-YDZHTSKRSA-N 394.431 1.765 50 40 GDGB COc1cccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1O 106156838 ZZADMLNEVNFHGI-WQRHYEAKSA-N 383.470 1.445 50 40 GDGB O=C(NNC(=O)c1cn(-c2cccc(Br)c2)nn1)c1ccccn1 45934446 ZOEPFTURLWILHA-UHFFFAOYSA-N 387.197 1.500 50 40 GDGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21 5625179 AGPNXJKIVRUUNF-MOHJPFBDSA-N 382.395 1.831 50 40 GDGB COc1ccc2ccccc2c1/C=N/NC(=O)c1c(C)nnn1-c1nonc1N 2542045 NYSXWLUJDZJZEO-AWQFTUOYSA-N 392.379 1.467 50 40 GDGB CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c1O 13597125 NKSSCNLKNULGMF-SCPBCGJWSA-N 387.348 1.989 50 40 GDGB COC(=O)c1cccc(C(=O)NNC(=O)c2ccc(Br)cc2)n1 40142862 KIAZDDUKOCRHFA-UHFFFAOYSA-N 378.182 1.706 50 40 GDGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 6507138 AYPRCJKACZDAGJ-HNNXBMFYSA-N 384.392 1.751 50 40 GDGB C/C(=N/OCC(=O)N/N=C1\C(=O)N(CN(C)C)c2ccccc21)c1cccs1 4590875 GVXCRJGCWGNSHX-DHTKVPSOSA-N 399.476 1.875 50 40 GDGB CC(C)CNC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2O[C@H]1[C@@H](Br)[C@H]2Br 104381372 ZDZWEWTVAKKSLP-SWKORFGHSA-N 399.079 1.384 50 40 GDGB COc1cc(OC)cc(C(=O)NNC(=O)c2cn(Cc3ccccc3)nn2)c1 12867582 GVWZTOJPWYGJDP-UHFFFAOYSA-N 381.392 1.418 50 40 GDGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cnc3ccccn3c2=O)c1 12808630 DRFUFSWSAJVVRL-UHFFFAOYSA-N 394.431 1.966 50 40 GDGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 409003001 XXSPURRDZSGXBO-ODCIPOBUSA-N 385.811 1.924 50 40 GDGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)NC(N)=O 409246463 BPTRULBZDWMULB-LCYFTJDESA-N 382.351 1.945 50 40 GDGB COCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)CC(=O)N1 6441109 NGEHDEPWVGNMDL-AWEZNQCLSA-N 375.450 1.530 50 40 GDGB COc1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c(CO)c(OC)c1OC 59461556 ZYIBMYWTPCGMJU-DNTJNYDQSA-N 388.376 1.697 50 40 GDGB O=C(COc1ccccc1[N+](=O)[O-])NC(=S)NNC(=O)c1cccs1 32118941 BRHJZZGSSKJJCH-UHFFFAOYSA-N 380.407 1.371 50 40 GDGB COc1cc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c(O)c([N+](=O)[O-])c1 12446118 QVNKAUVCEYZJPR-REZTVBANSA-N 385.340 1.127 50 40 GDGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1[N+](=O)[O-] 7928524 CRIZAMOBFOAQIR-AWEZNQCLSA-N 382.376 1.717 50 40 GDGB CCOc1ccccc1N(CC(=O)NN=C1CCN(C)CC1)S(C)(=O)=O 20210524 XIBDKNLUBSUOQU-UHFFFAOYSA-N 382.486 1.049 50 40 GDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(OC[C@@H]2CCCO2)cc1 12941835 VSODGKGUVWJZGJ-QFBILLFUSA-N 398.415 1.845 50 40 GDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccs3)CC2=O)c(OC)c1 12910289 XECVCIAKVHOKRZ-NSHDSACASA-N 389.433 1.579 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 4499505 NVNGJYCIPJXECS-YBFXNURJSA-N 384.348 1.860 50 40 GDGB NNC(=O)CSc1nnc(-c2ccncc2)n1/N=C/c1ccccc1Cl 36646012 KAADZQQDIOIRNO-AWQFTUOYSA-N 387.856 1.958 50 40 GDGB O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100159367 FHBPPJNBSKRQRH-LYSQTPEUSA-N 395.047 1.239 50 40 GDGB CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)OC)c1CC(=O)OC 4206546 GDIASGMXPGOZGB-UHFFFAOYSA-N 377.802 1.604 50 40 GDGB Cc1ccccc1SCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 6784392 YPACQKBBFDJXKF-UHFFFAOYSA-N 392.506 1.841 50 40 GDGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 7386797 NIEUFZHVJRCBEQ-UHFFFAOYSA-N 377.253 1.816 50 40 GDGB O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccnc1 7782830 DSUNLISVTSIVIG-IBGZPJMESA-N 388.427 1.884 50 40 GDGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1 7784896 BPCHSOJKRMRAFJ-MEBUONCMSA-N 384.230 1.203 50 40 GDGB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccccc2)C1=O 408535311 NOXZSRLKPBRPFL-AYPRBGQRSA-N 380.360 1.310 50 40 GDGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)NC[C@H]1CCCO1 28214804 XGIMULZVOWDMPR-UXHMZNKVSA-N 397.431 1.830 50 40 GDGB COc1cccc(-c2c(C(=O)N/N=C/c3ccoc3)nnn2-c2nonc2N)c1 2448222 BHPHDAQLXDRLMS-UFWORHAWSA-N 394.351 1.265 50 40 GDGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccs1)S(C)(=O)=O 20212197 MWUXQAJPHVHRDY-LICLKQGHSA-N 381.479 1.981 50 40 GDGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc[nH]c1=O 12984756 NWLVNLMURLJKKR-SECBINFHSA-N 380.198 1.366 50 40 GDGB Cc1ccccc1C(=O)NCC(=O)N/N=C1\C(=O)N(CCC#N)c2ccccc21 6174231 IPIPUMKUNMVKPC-PLRJNAJWSA-N 389.415 1.506 50 40 GDGB CCCc1c(C(=O)N/N=C/c2c[nH]c3ccccc23)nnn1-c1nonc1N 9496889 MBZFXUHEZXGMLR-AWQFTUOYSA-N 379.384 1.430 50 40 GDGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN)cc1C 408526838 CPCYNNQWQABZGB-UHFFFAOYSA-N 377.466 1.227 50 40 GDGB CCn1c(C)nc2cc(C(=O)NNC(=O)CNC(=O)c3ccc(C)cc3)ccc21 12536475 XXMRCEIVPKAKAI-UHFFFAOYSA-N 393.447 1.864 50 40 GDGB Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1cccs1 2380384 HMPTYESQTILGKK-GIJQJNRQSA-N 380.393 1.725 50 40 GDGB C[C@@H](Sc1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 12801671 XKIXUDLTBXXNKK-GFCCVEGCSA-N 392.506 1.922 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 408784404 QVKGGIDWLGWEAE-YBFXNURJSA-N 379.413 1.751 50 40 GDGB COc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(OC)c1 5513244 UKCXVWSGNYHVQR-KEBDBYFISA-N 384.371 1.647 50 40 GDGB CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)ccc1O 409110986 ABMUCLFCXGIPFI-XDHOZWIPSA-N 391.449 1.951 50 40 GDGB Cc1cc(C(=O)NN[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)no1 17078236 UPJHRYIPLSHRDR-NSHDSACASA-N 383.191 1.856 50 40 GDGB CCOc1ccc(C(=O)NN)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224819634 SHZWJZCVLJWFQR-UHFFFAOYSA-N 377.466 1.818 50 40 GDGB COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NCCOC)c2ccccc21 5015243 ABLGXBYXRWAEAN-FOWTUZBSSA-N 398.463 1.464 50 40 GDGB O=C(NNC(=S)NC(=O)c1ccccc1Br)c1ccncc1 12500880 CZQRJHUALRAFMQ-UHFFFAOYSA-N 379.239 1.793 50 40 GDGB O=C(CN1CCOCC1)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 59246903 SIXHWNCPYYHONE-FYJGNVAPSA-N 398.419 1.956 50 40 GDGB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)c1ccccc1O 14201558 CHTYFBMTKIVVDP-CQSZACIVSA-N 397.478 1.218 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nc(C)cc(N)n1 7048547 BSMLIHSYHNMUEK-UHFFFAOYSA-N 381.845 1.583 50 40 GDGB COC(=O)N/N=C(/C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccccc1 5808868 NVGPURSIRSECPC-CTBJKRMSSA-N 384.348 1.885 50 40 GDGB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NN)c(Cl)c1)c1ccccc1 6267642 IOHUGQHSCMYPBL-LLVKDONJSA-N 383.857 1.748 50 40 GDGB O=C(NCc1ccco1)C(=O)NNC(=O)c1ccccc1Cc1ccccc1 12894753 LSPIYYMZDQSKKM-UHFFFAOYSA-N 377.400 1.948 50 40 GDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(O)cc1 9421994 GABNGJLLESRLIT-LWLPBDFMSA-N 387.417 1.084 50 40 GDGB N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(C(F)(F)F)nc2O)cc1 8733907 GNNSDLYIAAHNDM-UHFFFAOYSA-N 380.282 1.518 50 40 GDGB CC[C@H](Br)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 96306399 MMLZIBHDTOYDHN-YFKPBYRVSA-N 380.040 1.359 50 40 GDGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(OC)c(O)c2)c(=O)c1C#N 98087304 JKOLZIYNDTZTPE-ZVBGSRNCSA-N 384.392 1.039 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 6312904 YRIPOVCAIVVBMO-FSJBWODESA-N 398.394 1.596 50 40 GDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)c1 5513176 WMGHQLTXQMDXMI-RGVLZGJSSA-N 387.392 1.810 50 40 GDGB CCOC(=O)[C@@H]1[C@H](c2ccccc2Cl)[C@H]2C(=O)N[C@@]1(C)NC2=C(C#N)C#N 100253680 FDDGIIBOFNSDDD-BKEDOTJMSA-N 384.823 1.970 50 40 GDGB CCn1c(C)nc2cc(C(=O)NNC(=O)CNC(=O)c3ccc(C)s3)ccc21 9882417 FDJFFTMOOGHJOL-UHFFFAOYSA-N 399.476 1.926 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2c(OC)cccc2OC)cc1 6535403 ISXVITFVWIQBKD-CIAFOILYSA-N 399.403 1.969 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 6879460 QHRKUKMKCGVAHI-YDZHTSKRSA-N 396.447 1.989 50 40 GDGB Cc1occc1C(=O)NNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 7780327 QXVSOEBFVIMFQZ-UHFFFAOYSA-N 377.422 1.375 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1Cl 20213199 MPLACXLZZIQSJQ-VXLYETTFSA-N 396.856 1.660 50 40 GDGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(OC)cc3)CC2=O)cc1 10094152 HFIWDVVWOOXSNO-OAHLLOKOSA-N 397.431 1.908 50 40 GDGB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCBr 4551407 KOUGRUHKYJNMNL-UHFFFAOYSA-N 383.198 1.608 50 40 GDGB COC(=O)CN1C(=O)/C(=N\NC(=O)c2cc(Cl)ccc2O)c2ccccc21 5742225 HHINNEDHHLKEMX-SILNSSARSA-N 387.779 1.699 50 40 GDGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 67913408 KZJNKSIORXDWKH-YOYNSPSVSA-N 378.421 1.241 50 40 GDGB biogenic,in-vitro COc1ccc(CC(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 669863 SGDLBSLTMNDFAY-UHFFFAOYSA-N 395.393 1.164 50 40 GDGB COc1ccccc1NC(=O)C(=O)NNS(=O)(=O)c1ccc2ccccc2c1 4957266 AVQUNLVLWJVBCJ-UHFFFAOYSA-N 399.428 1.797 50 40 GDGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 5006575 WSEWORHNEMEBRP-QIPHDZALSA-N 387.436 1.030 50 40 GDGB CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C\Nc1ccc(O)cc1 9423212 SXRVAIFVJSLISO-AQTBWJFISA-N 394.431 1.909 50 40 GDGB COc1cccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)c1 9424124 UBCBASTZHWWVDO-VXLYETTFSA-N 384.400 1.519 50 40 GDGB CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NNC(=O)c1ccco1 14234232 OUXWBCFAQJCSIN-CQSZACIVSA-N 399.856 1.697 50 40 GDGB COc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1O 408922531 BXKMWZSZTIIYPC-KZKLBEMASA-N 391.449 1.706 50 40 GDGB Cn1c(=O)[nH]c(=O)c2c1nc(SCCOCCCl)n2Cc1ccccc1 5252216 ZFBYSKRJHZVAQK-UHFFFAOYSA-N 394.884 1.819 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc(OC)c1OC 2775583 SZVTZMSBOHFBGJ-QPNXVFALSA-N 392.408 1.220 50 40 GDGB CC1(C)Cc2cccc(OCC(=O)NNC(=O)COc3ccccc3C#N)c2O1 6981840 PZTDAWZIZAGBGR-UHFFFAOYSA-N 395.415 1.877 50 40 GDGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(OC)cc3)CC2=O)cc1 10094156 HFIWDVVWOOXSNO-HNNXBMFYSA-N 397.431 1.908 50 40 GDGB O=C(NNS(=O)(=O)c1cc(F)cc(F)c1)c1cncn1-c1ccc(F)cc1 9115439 KZCHVQBLOJVXKN-UHFFFAOYSA-N 396.350 1.913 50 40 GDGB CCOc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2)cc1Cl 223468145 TYNCDBVPLUQTSV-UHFFFAOYSA-N 397.884 1.920 50 40 GDGB Cc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 19954461 DOPWOBJCMJEGOW-VXLYETTFSA-N 389.433 1.640 50 40 GDGB O=C(Cc1cn2ccsc2n1)NN[C@@H](C(=O)N1CCCC1)c1ccccc1 8710005 JZNSGKSANYFWMV-QGZVFWFLSA-N 383.477 1.923 50 40 GDGB COC(=O)Cc1[nH]nc2c1[C@@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2 15108072 CKEMDZVHOKNDRL-AWEZNQCLSA-N 384.348 1.081 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1 19953971 CCXGQAMHIMFCBS-VCHYOVAHSA-N 375.406 1.332 50 40 GDGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 102095252 REYZLNIDNQPXKS-VIZOYTHASA-N 375.253 1.881 50 40 GDGB CCCn1c(=O)c2ccccc2n2c(SCC(=O)/C(C#N)=C(/C)N)nnc12 104428714 IEOUILRAVIXHIK-QBFSEMIESA-N 382.449 1.872 50 40 GDGB O=C(CSc1nnc(-c2ccncc2)o1)NN[C@@H](O)C(Cl)(Cl)Cl 6244386 WJXPJACMOSJCEI-VIFPVBQESA-N 398.659 1.533 50 40 GDGB O=S1(=O)CC[C@@H](CNC(=S)OCC(Br)Br)C1 59568564 BCUDLXUTLGIIOQ-LURJTMIESA-N 395.138 1.428 50 40 GDGB CN(C)c1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 101300246 CBOMUZXNAABMDC-BREGNPSQSA-N 387.914 1.593 50 40 GDGB Nc1nnnn1CC(=O)N/N=C\c1ccccc1OCc1ccc(Cl)cc1 4897751 NFZRUVPZIUGPKG-UKWGHVSLSA-N 385.815 1.638 50 40 GDGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1 408730192 FYIFOBXUKPIALJ-OVCLIPMQSA-N 378.370 1.708 50 40 GDGB CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 7725959 LMCBIQLUCXZBEX-UHFFFAOYSA-N 387.767 1.193 50 40 GDGB Cn1cc(I)c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)n1 825422 DSHADUSDVMRLAA-MKMNVTDBSA-N 399.148 1.697 50 40 GDGB CCOC(=O)c1ccc(N2C(=O)C[C@H](NNC(=O)c3cccs3)C2=O)cc1 1440064 OJBYKWJOZRCBLW-ZDUSSCGKSA-N 387.417 1.491 50 40 GDGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 59960286 JXFVGXYMKJOYMJ-SRZZPIQSSA-N 384.392 1.038 50 40 GDGB Cc1ccc(OCc2nc(C)c(C(=O)NNC(=O)C(=O)NC3CC3)s2)cc1 10215250 XZXSICDAKIAEIH-UHFFFAOYSA-N 388.449 1.379 50 40 GDGB CCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1 29460929 HHORXZGUKVVBOL-UHFFFAOYSA-N 390.465 1.589 50 40 GDGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1 2639491 UQDPUSZFXZRDNT-UHFFFAOYSA-N 375.450 1.792 50 40 GDGB COc1ccc(/C=N/NC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)c(OC)c1 13681918 NKZMDYGHPRYLNX-CIAFOILYSA-N 396.403 1.247 50 40 GDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(F)c2)c2ccccc21 5739113 PMTPFPMCSNYSKB-MOHJPFBDSA-N 382.395 1.833 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1O 408787125 RULSUPAZOUKOQM-VXLYETTFSA-N 395.412 1.456 50 40 GDGB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccccc3)C2=O)cc1 408530265 DQHIHYURWKHYFC-BBJIBYMTSA-N 380.360 1.310 50 40 GDGB CCO/C(O)=N/c1nnc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)s1 34879684 RMSSNLPWTUUVTJ-OVCLIPMQSA-N 378.370 1.721 50 40 GDGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccn2)S(C)(=O)=O)cc1 408921908 LGVZHPKFTWJSTO-GNUZOCDUSA-N 390.465 1.785 50 40 GDGB CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21 989180 TUVSKBSJYBQWJZ-FQEVSTJZSA-N 397.387 1.005 50 40 GDGB CCc1cccc2c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cn(CC(N)=O)c12 6568122 XHZAHROHHUKEAI-NQUDRAQSSA-N 380.448 1.891 50 40 GDGB CC1(C)Cc2c(sc(NC(=O)C(=O)NNc3ccccc3)c2C(N)=O)CO1 6759183 WLUHPLKRBQAHFA-UHFFFAOYSA-N 388.449 1.780 50 40 GDGB CC(C)c1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)nn1C(C)(C)C 84622463 GKEJGYIEOUDXSG-UHFFFAOYSA-N 386.456 1.348 50 40 GDGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccnc1)OCc1ccccc1 408990903 OVVXNEBZRMYUSQ-SFQCIDFKSA-N 392.419 1.793 50 40 GDGB Cn1c(SCC(=O)NNC(=O)c2ccncc2)nnc1-c1ccc(O)cc1 35313297 KWXAWWHVCDXCKS-UHFFFAOYSA-N 384.421 1.136 50 40 GDGB COc1ccc(/C=N/NC(=O)COn2c(C)nc3ccccc3c2=O)cc1OC 2387770 LZORCTLXUVUYPU-SRZZPIQSSA-N 396.403 1.301 50 40 GDGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)cc1 19954599 HVJBTASEZPUJRX-YBFXNURJSA-N 389.433 1.610 50 40 GDGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(F)cc1 6124874 UMZPDGKWNFPSEH-UHFFFAOYSA-N 388.355 1.645 50 40 GDGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1O 7812970 ONGXQYKQUWZJQZ-GIJQJNRQSA-N 386.246 1.536 50 40 GDGB C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 3309794 QUHDLTHMJVKYQV-JTQLQIEISA-N 399.325 1.643 50 40 GDGB N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 14118355 MODSICCVFGVXRM-HNNXBMFYSA-N 382.351 1.350 50 40 GDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1cccs1 6508931 JIRLNUUJEFUVAL-LLVKDONJSA-N 387.417 1.333 50 40 GDGB Cc1cc(NC(=O)C2CC2)sc1C(=O)NCCCNS(=O)(=O)CCl 89608855 BLPJDAXRDOWMOH-UHFFFAOYSA-N 393.918 1.641 50 40 GDGB Cc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2O)C1=O 4837445 JVROVZXJRGDUFB-JLHYYAGUSA-N 380.360 1.102 50 40 GDGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2cccc(O)c2)cc1OC 5514340 SXYFNMBPGKPMKU-LPYMAVHISA-N 385.420 1.609 50 40 GDGB CN(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1 6544422 IKAWWZMZIAGCEH-WOJGMQOQSA-N 375.406 1.156 50 40 GDGB CCNC(=O)COc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 12894780 ULTQZVXGXFBRGD-UHFFFAOYSA-N 387.461 1.827 50 40 GDGB Nc1nonc1-n1nnc(CN2CCCC2)c1C(=O)N/N=C/C1CCCCC1 25760597 LFDANDYWKWXUGP-VXLYETTFSA-N 387.448 1.124 50 40 GDGB O=C(NCc1ccco1)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 409268337 SHEYDQHKKDISNM-WSDLNYQXSA-N 398.419 1.047 50 40 GDGB Cc1ccccc1S(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2cccnc2)C1 12346424 APLRFVQGSIUZMD-RSZPVBOMSA-N 386.477 1.941 50 40 GDGB Cn1c(=O)c2c(nc(SC[C@@H](O)CCl)n2Cc2ccccc2)n(C)c1=O 13774112 RLRHTCKQFLKWCO-LBPRGKRZSA-N 394.884 1.174 50 40 GDGB Cc1ccccc1S(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccccn2)C1 18192680 BPDLRHDIUDVHKO-REIAIGDLSA-N 386.477 1.941 50 40 GDGB Cc1cccc(C(=O)NNC(=O)CCCC(=O)NNC(=O)c2cccc(C)c2)c1 97940375 WJBVLZNLYXSQJD-UHFFFAOYSA-N 396.447 1.696 50 40 GDGB O=C(NN/C=C1/C(=O)N(CCc2ccc(F)cc2)C(=O)N=C1O)c1ccncc1 4859888 KGCNNBPDTQBHKJ-RVDMUPIBSA-N 397.366 1.500 50 40 GDGB O=C(NN/C=C1\C(=O)N(CCc2ccccc2)C(=O)N=C1O)c1ccccc1O 9044811 JQHGGNXOYQQDBA-QINSGFPZSA-N 394.387 1.672 50 40 GDGB C/C(=N\NC(=O)C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1 13372537 GSDWXZNVBRXLCB-BGPOSVGRSA-N 392.284 1.070 50 40 GDGB Cc1cccc(OCC(=O)NNC(=O)Cn2c(C)nc3ccccc3c2=O)c1 32794833 HUFCXMDIFMLNQN-UHFFFAOYSA-N 380.404 1.240 50 40 GDGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2cccs2)cc1OC 59516077 RYRFJUXXGWRYPB-UDWIEESQSA-N 375.450 1.964 50 40 GDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 101315567 NXFTZIPINQAKHS-BHQQRDBZSA-N 390.889 1.704 50 40 GDGB COc1ccc(CC(=O)NNC(=O)CSc2nc(O)c3ccccc3n2)cc1 4607048 CYSPIRPQCVYBCL-UHFFFAOYSA-N 398.444 1.826 50 40 GDGB O=C(NN/C=C1/C(=O)N(Cc2ccc(F)cc2)C(=S)N=C1O)c1ccncc1 6926327 VDGKWSRDZOGZOF-NTEUORMPSA-N 399.407 1.623 50 40 GDGB COc1ccccc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccccc1 8416759 DJQDNTYOBMHBDD-UHFFFAOYSA-N 399.403 1.418 50 40 GDGB COc1cccc(C(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)c1 16839263 KZFQMOXWLCFEHV-UHFFFAOYSA-N 377.400 1.980 50 40 GDGB COc1ccc(OCC(=O)N/N=C\c2cn(CC(N)=O)c3ccccc23)cc1 33706685 RWJBRIFTCJZQQD-YVNNLAQVSA-N 380.404 1.664 50 40 GDGB O=C(COc1ccc2c(c1)CCC(=O)N2)NNC(=O)COc1ccccc1F 40051387 MNMWXGNCRXGMQI-UHFFFAOYSA-N 387.367 1.316 50 40 GDGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCC#N 408999868 SOHONSHWHBLQTH-JAIQZWGSSA-N 380.832 1.423 50 40 GDGB Cc1cccc(C(=O)NNC(=O)CSc2nnc(-c3ccccc3N)n2C)c1 4856623 TZNJBRPWBPEYPR-UHFFFAOYSA-N 396.476 1.926 50 40 GDGB Cc1nn(CC(=O)NNC(=O)c2ccccc2Br)c(C)c1[N+](=O)[O-] 17358595 BVSSAECAPJLPDZ-UHFFFAOYSA-N 396.201 1.632 50 40 GDGB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)N2 409080791 OFOZAMZHRVRPCI-NSHDSACASA-N 388.225 1.098 50 40 GDGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)Cc3ccccc3)C(=O)NC2=S)cc1 408751893 ABOKNBMQOJUDEX-IXGURIBZSA-N 394.456 1.704 50 40 GDGB COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)NC(C)=C2C#N)c(OC)c1OC 5255008 ZQTWVOXJPHYFEG-MRXNPFEDSA-N 399.325 1.671 50 40 GDGB Cc1ccc(C(=O)N/N=C\[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 5698611 RSWGQBKTFXSZPN-UWOKGBPVSA-N 380.429 1.775 50 40 GDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(N(C)C)c3)CC2=O)cc1 12538481 RHUSEOUMGYRJDL-HNNXBMFYSA-N 396.447 1.575 50 40 GDGB O=C(CNC(=O)c1ccco1)NNC(=O)CSc1nc2ccccc2s1 7654145 KWGKWLKQUZJRKG-UHFFFAOYSA-N 390.446 1.559 50 40 GDGB Cc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1 8936288 MTYZOVMWEDBDBB-UHFFFAOYSA-N 396.494 1.220 50 40 GDGB COc1ccccc1C(=O)NN[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 18180721 PYAYBHWHXSLLHV-AWEZNQCLSA-N 384.348 1.170 50 40 GDGB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(C)cc3)C2=O)cc1 408536922 UBJJDFDSYNKGNO-BTZNOAQDSA-N 394.387 1.618 50 40 GDGB COc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)ccc1O 409118713 NTNNXYAUXCUVBV-VXLYETTFSA-N 395.412 1.456 50 40 GDGB CCOC(=O)Cc1n[nH]c2c1[C@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2 6772921 RQYLZKJWGFFESC-HXUWFJFHSA-N 393.403 1.254 50 40 GDGB Cc1ccccc1N1C(=O)/C(=C\NNC(=O)c2ccccc2O)C(=O)N=C1O 17123018 JVROVZXJRGDUFB-RAXLEYEMSA-N 380.360 1.306 50 40 GDGB COc1ccccc1-n1nc(C(=O)N/N=C\c2ccncc2)c(C)c(C#N)c1=O 409056023 FZTJDZIBFKWGNS-FMCGGJTJSA-N 388.387 1.580 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2)c1ccc(O)cc1 41091014 QQLNJASWPLBQKR-UHFFFAOYSA-N 383.385 1.734 50 40 GDGB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NNC(=O)c3ccc[nH]c3=O)ccc12 12979526 YHDYUMVICOCVPX-LLVKDONJSA-N 383.360 1.018 50 40 GDGB CCNC(=S)NNC(=O)[C@H](CCSC)NC(=O)c1ccc(OC)cc1 4739066 YSBYPHKLKRMXNE-ZDUSSCGKSA-N 384.527 1.062 50 40 GDGB COc1ccc(/C=N/NC(=O)COc2ccc(-n3cnnn3)cc2)c(OC)c1 2319640 AIQCJGFMYIXVJG-VXLYETTFSA-N 382.380 1.209 50 40 GDGB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/NNC(=O)c1ccccc1 4837529 VGZBVYLJLLGUAK-ZRDIBKRKSA-N 384.779 1.741 50 40 GDGB O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2 4504255 RLFYOXZAHAKTME-HGSMQCMYSA-N 396.359 1.303 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1cncn1-c1ccc(F)cc1 7050405 DMDPITKDQLJVEP-UHFFFAOYSA-N 396.350 1.913 50 40 GDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](Cc1ccccc1)n1cnnn1 25120256 MFPRTGQVGOYXJN-IGDKPHCXSA-N 394.479 1.821 50 40 GDGB COc1cccc(C(=O)NNC2=C/C(=N/S(C)(=O)=O)c3ccccc3C2=O)c1 101027889 DHQMJPDWFANAPH-JWGURIENSA-N 399.428 1.459 50 40 GDGB COCCOC(=O)/C(C#N)=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 408960439 FTDAVRROPQVDPW-FOWTUZBSSA-N 397.431 1.597 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 12984674 OKTHPKDTLFGUGO-OAHLLOKOSA-N 385.420 1.992 50 40 GDGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccco2)S(C)(=O)=O)cc1 4363611 KTCJFNHTGMSHAH-RNEAKCBISA-N 379.438 1.983 50 40 GDGB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NN)c(Cl)c2)cc1 408619659 IEZCRTMUDMIWHG-UHFFFAOYSA-N 399.856 1.908 50 40 GDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc(C)cc1Br 18187650 IFJHRRYXFFAARJ-XSFVSMFZSA-N 391.225 1.727 50 40 GDGB CCOc1cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc([N+](=O)[O-])c1O 31875863 XWRQZMXBEYNTBT-SCPBCGJWSA-N 387.348 1.989 50 40 GDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccs2)cc1OC 6583094 JOUDTFINBOELBA-CXUHLZMHSA-N 383.451 1.194 50 40 GDGB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1ccccc1O 7988814 LYOYARYKHZLLCP-KRWDZBQOSA-N 380.404 1.382 50 40 GDGB N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 14118358 MODSICCVFGVXRM-OAHLLOKOSA-N 382.351 1.350 50 40 GDGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1c[nH]c2ccccc12 408732774 YTFYVELQQSBWSP-QGMBQPNBSA-N 376.829 1.890 50 40 GDGB COc1cccc(C(=O)NCC(=O)NNC(=O)c2cn(C)c3ccccc23)c1 10736835 INXHUQPXCUYXHQ-UHFFFAOYSA-N 380.404 1.378 50 40 GDGB COc1ccc(/C=C/C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(OC)c1 12770643 QREFJJRYPGXVCH-XSFOEPMVSA-N 384.388 1.704 50 40 GDGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OC 408735377 QYUMERDNOFYIKJ-LRQZKABGSA-N 388.420 1.839 50 40 GDGB O=C(NNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1cccc([N+](=O)[O-])c1 69442719 HVYKPCAILNFVRH-INIZCTEOSA-N 383.408 1.663 50 40 GDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 6440684 MISSRHOLZVLHHP-UFFVCSGVSA-N 388.811 1.554 50 40 GDGB Cc1c(C(=O)N/N=C/c2cccc(Cl)c2Cl)nnn1-c1nonc1N 1056691 YAMSXMDXFXDTBA-YAXRCOADSA-N 381.183 1.612 50 40 GDGB Cc1ccc([C@@H](CC(=O)NNC(=O)COc2ccc(C)c(C)c2)NC(N)=O)cc1 12793159 GWHLCNVEOYJBCN-GOSISDBHSA-N 398.463 1.938 50 40 GDGB CCCCC(=O)NN/C=C1/C(=O)NC(=S)N(c2ccccc2Cl)C1=O 2299759 YUTNOMISVJTUPL-KTKRTIGZSA-N 380.857 1.783 50 40 GDGB CCOC(=O)NNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 17081008 SHFPCQHDPXNPMJ-UHFFFAOYSA-N 396.454 1.225 50 40 GDGB C/C(=N\NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 5006184 AZZPZYDXVVTROT-WSDLNYQXSA-N 397.387 1.457 50 40 GDGB CCOC(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 5444358 YSLGRCJFUBULCS-KRWDZBQOSA-N 384.392 1.887 50 40 GDGB CC(C)n1nc(C(=O)NNC(=O)c2ccc3c(c2)CCO3)c2ccccc2c1=O 40068725 DVGIRLDDKWQWDO-UHFFFAOYSA-N 392.415 1.987 50 40 GDGB CCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)ccc21 40142775 SLLQXABUIDVHQP-UHFFFAOYSA-N 382.376 1.969 50 40 GDGB CCN(CC)c1ccc(C(=O)NNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 24788927 GBXWIIMUFWHLFH-INIZCTEOSA-N 396.513 1.108 50 40 GDGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408875962 IFGHNQQGAUBEMG-HYARGMPZSA-N 381.432 1.997 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1O 33043958 UMJIZYBQOLLLPD-YBFXNURJSA-N 391.449 1.480 50 40 GDGB C/C(N)=C(\C#N)C(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O 105802625 ZCCOKQZUEFECFB-CKDIWJPDSA-N 391.225 1.541 50 40 GDGB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1C 12547944 AFYLOJCQBFTFRH-UHFFFAOYSA-N 393.425 1.437 50 40 GDGB CCOC(=O)/C(C#N)=C/c1c(N2CCN(C)CC2)nc2c(C)cccn2c1=O 2209393 DPQSBTGQHDHCLT-NTCAYCPXSA-N 381.436 1.225 50 40 GDGB CC(C)c1ccc(N2C(=O)/C(=C/NNC(=O)c3ccncc3)C(=O)N=C2O)cc1 17112202 OSDPNILRUDVVOR-LFIBNONCSA-N 393.403 1.811 50 40 GDGB N#CCCCN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 100433972 PXLSNDUZDVHQBW-KYLWWAFNSA-N 390.399 1.997 50 40 GDGB Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc([S@](C)=O)cc1 48274861 XSFRMKGRTWUIKL-JOCHJYFZSA-N 384.255 1.600 50 40 GDGB Cn1nc(C(=O)NNC(=O)Cc2c(F)cccc2Cl)c2ccccc2c1=O 12846735 COEXLZKJXFULTM-UHFFFAOYSA-N 388.786 1.730 50 40 GDGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 408590856 QTOSWIVQDFQQKC-ACRNLXFHSA-N 384.392 1.615 50 40 GDGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc([N+](=O)[O-])c1O 20086784 MEUAOMNEBYELNP-AWEZNQCLSA-N 384.348 1.534 50 40 GDGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 3414128 QQLHHSSLDIWHSS-UHFFFAOYSA-N 386.799 1.464 50 40 GDGB COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccnc2)c2ccccc21 5241909 AZTMDUVUYIRJBO-ZCXUNETKSA-N 389.415 1.659 50 40 GDGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc(Cl)cc1Cl 409376872 DQTUMPBUIXXHJO-QHSOUUPTSA-N 385.203 1.799 50 40 GDGB CC(=O)N[C@@H](CC(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 58244335 PHOOFYOJHCSZPD-MAUKXSAKSA-N 383.404 1.241 50 40 GDGB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)c1ccccc1 7940115 DWSATTYPLJZYHT-HNNXBMFYSA-N 381.388 1.044 50 40 GDGB COc1ccc(N2C[C@@H](C(=O)NNc3nc(C)cc(C)n3)CC2=O)cc1OC 30625378 IHAPHVGADUCNEK-ZDUSSCGKSA-N 385.424 1.607 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(=O)O)cc1 59444443 DMBPQGVOVUOSAY-RGVLZGJSSA-N 383.360 1.650 50 40 GDGB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccccc2O)C1=O 106379411 JYXGVWVPWMNWCX-NPNVKNKFSA-N 380.360 1.315 50 40 GDGB CCNC(=O)NNC(=O)c1cc(Br)c(O)c(Br)c1 408566548 HPUQUDKUYYJAKP-UHFFFAOYSA-N 381.024 1.881 50 40 GDGB Cc1nn(C)cc1/C=N/NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 2747736 XKNPHGXDHPJWDW-IFRROFPPSA-N 384.465 1.529 50 40 GDGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 7386840 VFLZNLWMCCBXFE-UHFFFAOYSA-N 377.253 1.816 50 40 GDGB CCn1c(SCC(=O)NNC(=O)c2ccccn2)nnc1-c1cccs1 7653084 JSABAGSVMDQGFP-UHFFFAOYSA-N 388.478 1.975 50 40 GDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3c(F)cccc3F)CC2=O)cc1 408616206 XGSVMCVNALEWLC-LLVKDONJSA-N 389.358 1.788 50 40 GDGB COC[C@H](C)O[Si](O[C@@H](C)COC)(O[C@@H](C)COC)O[C@H](C)COC 195766861 DVYWNXMKZUKBRA-YHUYYLMFSA-N 384.542 1.628 50 40 GDGB Cc1cc(C(=O)NNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c(C)o1 40134543 MNPJZLJMYGSDEK-UHFFFAOYSA-N 386.383 1.975 50 40 GDGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=c2/sc3ccccc3n2C)cc1 10386506 QLSMOXJYHGGNKO-LVZFUZTISA-N 390.490 1.459 50 40 GDGB CC(C)(NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NN 3593058 YNBJUYDCRZPVAC-QGZVFWFLSA-N 398.463 1.409 50 40 GDGB O=C(O)Cc1ccc(NC(=O)C[C@H](CCl)S(=O)(=O)CCCl)cc1 5569645 HVIUBVWXYKVYRZ-GFCCVEGCSA-N 382.265 1.903 50 40 GDGB CN(CC(=O)NNC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1cccs1 12856467 ZAGDOYGDANSWIS-UHFFFAOYSA-N 387.870 1.483 50 40 GDGB COc1cccc(CCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 12919007 NWKOYQRRHNKHRH-UHFFFAOYSA-N 380.404 1.336 50 40 GDGB CC(C)(C)OC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13004298 IYSXQRUKKQQVHS-LLVKDONJSA-N 377.397 1.367 50 40 GDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 58880741 NLBMEQJMEJBYGZ-CIAFOILYSA-N 382.420 1.679 50 40 GDGB C[C@]1(NC(=O)OCC(Br)Br)CCS(=O)(=O)C1 59568549 CVYKNEHMNKOOCX-QMMMGPOBSA-N 379.070 1.406 50 40 GDGB NC(=O)N/N=C/c1cc(Br)c(O)c(I)c1 408738194 RVIPUTDGRXPYJE-KGVSQERTSA-N 383.971 1.762 50 40 GDGB C/C(=N\NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)c1ccc(Br)cc1 825628 LLKYMMQHMLVWDW-UFWORHAWSA-N 379.214 1.217 50 40 GDGB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1ccncc1 103916797 DLXSQIJIQVDUKY-WJDWOHSUSA-N 380.364 1.921 50 40 GDGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cc1nnc(N)s1 666157 OIJFFCYGZPEDOT-QGMBQPNBSA-N 375.845 1.961 50 40 GDGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)C(=O)N1CCOCC1 101543457 QJOTUQABDHPBIR-HYARGMPZSA-N 386.452 1.245 50 40 GDGB Cc1n[nH]c2c1[C@H](c1ccc(OCC(=O)N3CCCC3)cc1)C(C#N)=C(N)O2 818694 KDQDZEAZMQYPHV-GOSISDBHSA-N 379.420 1.938 50 40 GDGB Cn1c(NNC(=O)c2cc(Br)ccc2Cl)cc(=O)n(C)c1=O 2706514 YWZOIMNZBZIQAR-UHFFFAOYSA-N 387.621 1.257 50 40 GDGB Cc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 4319850 CSRHBGSBSSTPED-MDZDMXLPSA-N 383.360 1.921 50 40 GDGB O=C(CCCC(=O)NNC(=O)C1CCCCC1)NNC(=O)C1CCCCC1 8399791 ZLJVQRHUBSJXCL-UHFFFAOYSA-N 380.489 1.612 50 40 GDGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cc(C)n[nH]2)cc1OC 12289579 XPDXSYBDIOSTIX-FNORWQNLSA-N 389.437 1.084 50 40 GDGB Cc1cccc(OCCCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 12760610 MHFSTKXDCPBFCP-UHFFFAOYSA-N 394.431 1.862 50 40 GDGB O=C1C[C@H](C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c2ccccc2N1 14250164 RFWCFHMWKIZSPP-AWEZNQCLSA-N 391.387 1.465 50 40 GDGB CN(C)c1ccc(/C=N\NC(=O)C(=O)N/N=C\c2ccc(N(C)C)cc2)cc1 31636974 ANEYJNOUFVDYKO-JZTLMNBPSA-N 380.452 1.419 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C 409151538 HQINALYGBOCXNX-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB Cn1nc(C(=O)NNC(=O)CCc2ccc3c(c2)OCO3)c2ccccc2c1=O 10708477 ZTWUGGZVCGIMBW-UHFFFAOYSA-N 394.387 1.056 50 40 GDGB Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12527012 XXVIFFIHRNWLAH-OAHLLOKOSA-N 375.450 1.290 50 40 GDGB Cc1cc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)o1 12846637 FUQKVWMRAMPXLX-LJQANCHMSA-N 384.392 1.125 50 40 GDGB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 26774220 JBMCYEQRXAUWBK-YVEFUNNKSA-N 385.468 1.938 50 40 GDGB CNS(=O)(=O)c1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)n(C)c1 32850690 ZAGQOTBJTHJMDK-UHFFFAOYSA-N 393.856 1.892 50 40 GDGB CC(C)N1C(=O)/C(=N/NC(=O)CNC(=O)c2ccccc2O)c2ccccc21 100085966 DDGJVNYIIKCBBI-PTGBLXJZSA-N 380.404 1.398 50 40 GDGB C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 958318589 LOFBWESEBFUNJU-DQDQBAQVSA-N 392.448 1.895 50 40 GDGB biogenic,in-vitro COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 8245090 IFBNOZWWIXRUBC-SNVBAGLBSA-N 377.328 1.971 50 40 GDGB CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1 408707384 JTBAXBNTXKNNPJ-UFWORHAWSA-N 379.214 1.850 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1 6326061 BVZIYSKUKPSPJY-FSJBWODESA-N 396.447 1.907 50 40 GDGB O=C(O)CCN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 2317477 FHBPPJNBSKRQRH-OQIUTORDSA-N 395.047 1.239 50 40 GDGB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNC(=O)c1ccccc1-n1cccc1 12598635 DQQUTYQGIVKCKG-GJZGRUSLSA-N 392.415 1.190 50 40 GDGB Cc1c(Cl)cccc1N(CC(=O)NN=C1CCN(C)CC1)S(C)(=O)=O 8278226 BRENMTLHMDSMTE-UHFFFAOYSA-N 386.905 1.612 50 40 GDGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Br)cc1 13683115 ARTNICYASWOKNL-UHFFFAOYSA-N 387.193 1.760 50 40 GDGB CN(C)c1ccc(N2/C(=N/C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 6660015 CBOMUZXNAABMDC-OVJMFRMASA-N 387.914 1.593 50 40 GDGB NCCSSCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 35636583 MFDWNMKIWHKJOW-GVXVVHGQSA-N 378.589 1.169 50 40 GDGB in-vitro COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCc2ccco2)cc1 15229691 VDBMELXPIBMARC-LFIBNONCSA-N 383.404 1.644 50 40 GDGB COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccccc3)C2=O)c1 6200200 LQWSVXGEDMCMMR-PZUDMAOCSA-N 380.360 1.310 50 40 GDGB COC(=O)CN1C(=O)/C(=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 100282780 FYNZZCXFHPLGCS-LVZFUZTISA-N 381.344 1.069 50 40 GDGB COc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408536365 RDOMLEWPQMGYDJ-XYHOIZSOSA-N 394.387 1.618 50 40 GDGB Nc1ccccc1C(=O)N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1 409021250 ZNAYKWPWLCCGRA-XKZIYDEJSA-N 382.420 1.270 50 40 GDGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)O)cc2c1OCCO2 226819629 ZWCKZFSCXMBNDQ-KEBDBYFISA-N 399.359 1.253 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccn3)CC2)cc1 713383 MZCPPHXFHJAULT-KGENOOAVSA-N 386.477 1.941 50 40 GDGB CC(C)c1c(C(=O)N/N=C/c2c[nH]c3ccccc23)nnn1-c1nonc1N 2348892 VETCFLQKOPQYFC-DNTJNYDQSA-N 379.384 1.601 50 40 GDGB CC[C@H](Br)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 3118444 GOXWJGGJEIMMAB-LURJTMIESA-N 394.067 1.370 50 40 GDGB CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC)c2)cc1 6963072 JTILBWUJDMMDQY-WSDLNYQXSA-N 398.419 1.299 50 40 GDGB CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccc(O)cc1 9357710 YMPGQSBQABTMMS-XDHOZWIPSA-N 384.400 1.606 50 40 GDGB C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12538236 NZGSVIUALPKHDV-BPNCWPANSA-N 375.812 1.441 50 40 GDGB O=C(N/N=C/c1cccnc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 408970553 BHHOGWRJPCSADE-FYJGNVAPSA-N 390.440 1.772 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)c(OC)c1 6544470 FXXLBKURHPVAKL-XDHOZWIPSA-N 391.449 1.475 50 40 GDGB COc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)ccc1O 409118883 RGZMFUVSSIRUJI-WOJGMQOQSA-N 377.422 1.561 50 40 GDGB CC(C)c1ncc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)[nH]1 72301191 LFZFWWCVHPYEBE-UHFFFAOYSA-N 390.263 1.257 50 40 GDGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 252479357 BDNDXDVRUXJLOT-UBKPWBPPSA-N 375.320 1.378 50 40 GDGB O=C(COc1ccc(Br)cc1)NNC(=O)C(=O)Nc1ccccc1 5947348 FXDGCFRWROLFHU-UHFFFAOYSA-N 392.209 1.614 50 40 GDGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)cc1 895355 XQWSYBRTSSLURT-UHFFFAOYSA-N 378.406 1.170 50 40 GDGB O=C(COC(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1ccc(Cl)cc1 2651347 QUEZFZYRDUFYSM-UHFFFAOYSA-N 390.779 1.729 50 40 GDGB CCCc1c(C(=O)N/N=C2\CCCc3ccccc32)nnn1-c1nonc1N 5499751 CBMWYGUQFCECSY-DEDYPNTBSA-N 380.412 1.655 50 40 GDGB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1 36093456 BWJIADMYNBZHQN-UVTDQMKNSA-N 384.779 1.741 50 40 GDGB COc1cccc2cc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c(=O)oc12 1498478 RZJSNVAQJUPOAY-UHFFFAOYSA-N 383.316 1.785 50 40 GDGB CCCc1c(C(=O)N/N=C/c2ccc(SC)cc2)nnn1-c1nonc1N 9480176 ZAWGQKUMMAPXSI-GIJQJNRQSA-N 386.441 1.671 50 40 GDGB C[C@@H](C(=O)N/N=C/c1ccccc1[N+](=O)[O-])N(c1ccccc1)S(C)(=O)=O 408906059 AIOXJSDJBVXRFZ-HTMJNSLASA-N 390.421 1.900 50 40 GDGB CCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)COc2cccc(C)c2)c1 24842066 DFFMEKMETGEPOX-UHFFFAOYSA-N 391.449 1.597 50 40 GDGB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1Cl 8433621 SRZZEFHYPLYMTE-UHFFFAOYSA-N 377.740 1.866 50 40 GDGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)NC[C@@H]1CCCO1 28214801 XGIMULZVOWDMPR-FZJZADEZSA-N 397.431 1.830 50 40 GDGB CCOC(=O)N[C@@H](C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1)C(C)C 46899820 UNOIZIYACOYZPZ-CQSZACIVSA-N 397.428 1.244 50 40 GDGB O=C(NN/C=C1/C(=O)N(C2CCCCC2)C(=S)N=C1O)c1ccccc1O 4837366 CMOJFCJULDLNOC-JLHYYAGUSA-N 388.449 1.927 50 40 GDGB CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21 989179 TUVSKBSJYBQWJZ-HXUWFJFHSA-N 397.387 1.005 50 40 GDGB CO[C@@H]1C[C@H](NC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@@H](CBr)O1 4568298 JZLAUALBZXMLIS-LJISPDSOSA-N 386.242 1.873 50 40 GDGB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)NNC(=O)c1ccco1 5326634 HNPLSYFRZWQMOH-UHFFFAOYSA-N 379.394 1.534 50 40 GDGB O=C(NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccnc1 7782832 DSUNLISVTSIVIG-LJQANCHMSA-N 388.427 1.884 50 40 GDGB COc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 8412312 UKOVHVMNPFGUNJ-UHFFFAOYSA-N 399.403 1.418 50 40 GDGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1nn(C)cc1[N+](=O)[O-] 89518682 OJLGVDYNDJMKLL-NSHDSACASA-N 383.364 1.710 50 40 GDGB COc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)ccc1OC(F)F 9112054 UWLZZMSNSRSPOU-LLVKDONJSA-N 378.397 1.403 50 40 GDGB COc1ccc(/C=C/C(=O)NNC(=O)Cc2nc3ccccc3n2C)c(OC)c1 6161118 NEWFZNAUUREQBJ-PKNBQFBNSA-N 394.431 1.994 50 40 GDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(N(C)C)cc1 5487731 JYGREINPOAVZJW-IUPCOXQMSA-N 399.472 1.532 50 40 GDGB COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408680075 CYYJSQOLGSVWSV-KJKVDNPUSA-N 394.221 1.983 50 40 GDGB CN1C(=O)/C(=C/NNC(=O)c2ccccc2)C(=O)N(c2ccccc2)C1=S 1251890 WICFIJRZMFFDHE-QINSGFPZSA-N 380.429 1.595 50 40 GDGB Cc1nc2ccccc2c(C)c1CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 12536582 RUPWPZHATOKAMQ-OAHLLOKOSA-N 375.494 1.886 50 40 GDGB C/C(Cl)=C\Cn1c(SC[C@@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 26642004 JXWVPZKQEXVOBY-DKCNVOGISA-N 379.269 1.258 50 40 GDGB C[C@H](Nc1ccc(Br)cc1)c1nnc(SCC(=O)NN)n1C 66324365 CHNVIXIEOCXJDS-QMMMGPOBSA-N 385.291 1.833 50 40 GDGB O=C(C[C@@H]1CCN(Cc2ccccc2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 72306856 ZZJIYQNYURBGAH-PXNSSMCTSA-N 395.459 1.886 50 40 GDGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)cc1 409252339 RWWNPEMZESWFGN-WSDLNYQXSA-N 394.431 1.741 50 40 GDGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 2174628 ZUBINICUKOFBIN-SRZZPIQSSA-N 376.844 1.960 50 40 GDGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(C)=O)C2=O)cc1 5554930 HYAFPHLWEDOQTF-UVTDQMKNSA-N 393.490 1.844 50 40 GDGB CN(C)c1ccc(C(=O)NNC(=O)COCC(=O)Nc2ccc(C#N)cc2)cc1 4676239 YKPRDPOQENHZMC-UHFFFAOYSA-N 395.419 1.041 50 40 GDGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccn2)S(C)(=O)=O)cc1 8218486 LIPGSLUKRFXCKS-HCZVKUGISA-N 376.438 1.395 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NN(C)c2ccccc2)cc1 8328287 BLJFSCUPTAMLLZ-UHFFFAOYSA-N 390.465 1.481 50 40 GDGB Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNc2nc(C)cc(C)n2)c(C)c1 29066345 WFOYWOXVNHMLLB-UHFFFAOYSA-N 391.497 1.830 50 40 GDGB Cc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)C(=O)NCc1ccco1 29551659 IPFOZKDLSCKOIT-UHFFFAOYSA-N 382.376 1.249 50 40 GDGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O 263594393 CJOSHSDHCPNMOJ-OXUWNYNTSA-N 381.509 1.050 50 40 GDGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)N2CCOCC2)CC1 409008491 XCYIPGPHCBVPBR-FOWTUZBSSA-N 385.424 1.112 50 40 GDGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1 13509609 HUCRRHIDDXFXIZ-VGSWGCGISA-N 384.443 1.928 50 40 GDGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 18137105 HQLRIHZGGTXWMX-KOXKPCSVSA-N 381.388 1.150 50 40 GDGB Cc1ccc(C(=O)NNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(C)c1 14802566 UPBZPQYXKGWMTQ-XOBRGWDASA-N 386.452 1.565 50 40 GDGB CCN(CC)S(=O)(=O)c1ccc(N/C=C2\C(=O)NC(=O)C(C#N)=C2C)cc1 100929826 VCLIJBNYJQPGFH-WJDWOHSUSA-N 388.449 1.509 50 40 GDGB O=C(COc1ccc(Br)cc1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 726150 DBQXLFXCLOGWLZ-CHWSQXEVSA-N 399.241 1.866 50 40 GDGB CN(C)c1ncnc2cc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc12 78939011 ZFCWOBNMKXSKKZ-QGZVFWFLSA-N 393.403 1.297 50 40 GDGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CN3CCOCC3)o2)c1 59246915 PKIZUUDSUJWHQA-FYJGNVAPSA-N 385.420 1.906 50 40 GDGB O=C(Cc1cccc2ccccc12)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 12060037 QSQLVZJTSDWZGP-UHFFFAOYSA-N 394.431 1.394 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 409116448 MMRXHYIXQBXCNM-YBFXNURJSA-N 379.413 1.751 50 40 GDGB C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)NNC(=O)COc1ccccc1C#N 28787395 UVMOQJLVAIAVEP-AYJWMTRPSA-N 392.415 1.303 50 40 GDGB C[C@H](NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1)c1ccccc1 408646595 QEIJKKXODYWWAB-HNNXBMFYSA-N 397.431 1.648 50 40 GDGB COc1cc(/C=N/NC(=O)CNC(=O)/C=C/c2ccco2)cc(OC)c1OC 3026839 QSJARKHNDCFNKZ-BBQBHMDTSA-N 387.392 1.585 50 40 GDGB O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)Nc1ccccc1F 1754259 OGUCZKBQAALQOR-UHFFFAOYSA-N 390.331 1.708 50 40 GDGB C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccc(Br)cc1)CS2 24265013 FIOIWOPEGXSWNR-IAQYHMDHSA-N 398.282 1.664 50 40 GDGB O=C(O)CCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 12292057 BMZUZWCWODGRJO-UHFFFAOYSA-N 379.594 1.494 50 40 GDGB COc1ccc(NC(=S)NNC(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1 8681165 CPUOGYZOOLSTPH-LLVKDONJSA-N 392.441 1.996 50 40 GDGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 408825338 BEGVYKLGJNNPOG-FSJBWODESA-N 390.399 1.793 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1OC 7428761 JQRCQIZMVWGOCM-UHFFFAOYSA-N 380.378 1.056 50 40 GDGB CCOc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2)cc1C 223468066 JIXCJSOCSFVUCV-UHFFFAOYSA-N 377.466 1.575 50 40 GDGB Cc1ccccc1OCC(=O)NNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 13006544 UCZYUEKTHYJUIO-UHFFFAOYSA-N 396.363 1.324 50 40 GDGB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc2ccccc2n1 40049133 BIHZMNIKKAHXFQ-INIZCTEOSA-N 390.465 1.200 50 40 GDGB NS(=O)(=O)c1ccccc1SSc1ccccc1S(N)(=O)=O 2144102 SZULOHXSKBKUSS-UHFFFAOYSA-N 376.506 1.781 50 40 GDGB Cc1cccc(-n2nnnc2SCC(=O)NNC(=O)c2ccc(F)cc2)c1 2725843 GQLQAMICUZTOPL-UHFFFAOYSA-N 386.412 1.663 50 40 GDGB O=C(COC(=O)CCCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1 8412954 GMLNOBXECTZEMN-UHFFFAOYSA-N 383.404 1.800 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)Cc2ccc3c(c2)OCCO3)cc1OC 12691492 JHKSSKSVSALUTK-UHFFFAOYSA-N 386.404 1.869 50 40 GDGB O=C(COCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1c[nH]c2ccccc12 30889983 QRDRRKIOHQEORD-UHFFFAOYSA-N 391.387 1.382 50 40 GDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(OC)ccc2OC)ccc1O 59434222 KVXXTZQJTUTWKW-RGVLZGJSSA-N 387.392 1.897 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc(OC)c1OC 1005762 DPMRZNFQMHZCNZ-NEPJUHHUSA-N 378.381 1.140 50 40 GDGB biogenic,in-vitro CC(C)c1c(C(=O)N/N=C/c2ccc(N(C)C)cc2)nnn1-c1nonc1N 2265680 GGSDYADVGPEEAR-DJKKODMXSA-N 383.416 1.186 50 40 GDGB CCC(=O)N(NC(=O)c1cccnc1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 2405153 GGIYBXCGDQORSH-MRXNPFEDSA-N 396.403 1.306 50 40 GDGB CCOC(=O)Cn1c(Cl)c(/C=N/NC(=O)c2ccccc2O)sc1=O 4942509 IEKAGKPKDRGJQO-REZTVBANSA-N 383.813 1.596 50 40 GDGB CCCCC(=O)NN/C(CC)=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 9109644 IUQIAYOFRXLQKP-JQIJEIRASA-N 388.424 1.753 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccc(Cl)cc1 19954166 ZKBYTDYTZUEGLV-VCHYOVAHSA-N 381.841 1.962 50 40 GDGB O=C(NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 32118678 KVKDRIQFGIZNIG-UHFFFAOYSA-N 379.785 1.593 50 40 GDGB CS(=O)(=O)NC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104087335 XGUSHVRBHKUZBA-UHFFFAOYSA-N 399.452 1.789 50 40 GDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(OC)cc2OC)cc1 223158423 RMJGQXGBIQEMPN-JAIQZWGSSA-N 385.376 1.579 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)cc1OC 409184755 MWGAKMGHOPJXDY-LICLKQGHSA-N 397.478 1.682 50 40 GDGB Cn1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c2ccccc21 12555451 VVXUISDDOLTXQT-UHFFFAOYSA-N 392.368 1.849 50 40 GDGB COc1cccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3)C(=O)N=C2O)c1 34237776 HMVHUUSECVLNES-PTNGSMBKSA-N 380.360 1.301 50 40 GDGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(F)cc1F 12687057 LRBNLGTYVMZLAO-UHFFFAOYSA-N 394.197 1.689 50 40 GDGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 107741852 VRYCFSBTXIPBLA-PXNMLYILSA-N 389.280 1.810 50 40 GDGB Cc1cc(C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)c(C)o1 14240066 CNFPRYABVWBBQJ-AWEZNQCLSA-N 399.494 1.722 50 40 GDGB CCCNC(=O)NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C 5936272 SUDBKUMBVWYLPU-MHWRWJLKSA-N 390.440 1.437 50 40 GDGB CCOc1cc(C(=O)NNc2nnc(C)c(=O)[nH]2)cc(OCC)c1OCC 6489293 AQVSPVZNHPMWIJ-UHFFFAOYSA-N 377.401 1.426 50 40 GDGB N#CC1=C(N)n2c(s/c(=C/c3cccs3)c2=O)=C(C#N)[C@H]1c1cccs1 2350603 YKVPEDPSIBRJCY-LULHVWEPSA-N 394.506 1.984 50 40 GDGB NNC(=O)COc1c(I)cc(Cl)c2cccnc12 3277951 CHXORLLNRDHFGR-UHFFFAOYSA-N 377.569 1.862 50 40 GDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 68933392 LEKZZCQYWHLJNW-GFCCVEGCSA-N 386.339 1.548 50 40 GDGB CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)C(=O)N1CCCCC1 100071365 TVCIFVNNTYIDRR-LPYMAVHISA-N 387.440 1.478 50 40 GDGB CCOc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 101309282 YECSZCBMDAHJOD-LTUGMUNRSA-N 388.898 1.926 50 40 GDGB CCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1OC 6539118 FFCMDIUPEBLPFW-XDHOZWIPSA-N 391.449 1.523 50 40 GDGB COc1ccc(CN2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 101318580 JQMXTRCHNWNODS-BREGNPSQSA-N 388.898 1.531 50 40 GDGB O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cc(Br)c[nH]1 28481320 IRRNBHYASXVQBW-SECBINFHSA-N 395.213 1.180 50 40 GDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2C(=O)O)cc1OC 4525702 LWFFOHRLAZBQBO-WSDLNYQXSA-N 399.403 1.211 50 40 GDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1Br 17779883 SSSRYZYLWAXBJN-LLVKDONJSA-N 375.182 1.759 50 40 GDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccc(F)c2)cc1OC 6583066 KTTXVYRJXRTISN-VXLYETTFSA-N 395.412 1.272 50 40 GDGB O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 9232834 GYRMAMAROLECFS-WSDLNYQXSA-N 398.419 1.047 50 40 GDGB Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 12853374 DZEYHNVIYITVNV-OAHLLOKOSA-N 394.431 1.520 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc(OC)c1OC 5661099 SZVTZMSBOHFBGJ-MMDVMMEASA-N 392.408 1.220 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C 8571376 NNQAOADWDUZRIX-YDZHTSKRSA-N 394.431 1.765 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 59434157 UWHVMSDVGHVZAN-CIAFOILYSA-N 399.403 1.969 50 40 GDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2Cl)o1 7956281 ZJUOWOROODMQTI-SNVBAGLBSA-N 382.825 1.796 50 40 GDGB O=C(CSc1ccc(F)c(Cl)c1)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 7989240 AQFYIDQHMJFUBS-VIFPVBQESA-N 394.877 1.543 50 40 GDGB C[C@H]1CCC[C@H](OCC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1 95464991 UGZWUSAYBUGEFO-STQMWFEESA-N 397.335 1.408 50 40 GDGB COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)cc(OC)c1OC 101708813 UUEXATSYEVCZBU-FSFXQHHYSA-N 397.431 1.692 50 40 GDGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccncc1)S(C)(=O)=O 20212025 JLXYCPMIWLITLO-VXLYETTFSA-N 396.856 1.660 50 40 GDGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2)c1ccc(Br)o1 101518650 PZDDYPBBRMUQNV-OSTYVCCYSA-N 383.198 1.716 50 40 GDGB COc1cc(/C=N/NC(=O)Cc2c(O)n[nH]c2C)cc(Br)c1O 5634658 DAJUCZRGQUBPGW-OMCISZLKSA-N 383.202 1.593 50 40 GDGB CCCc1nnc(SCC(=O)NNC(=O)COc2ccccc2)n1CC 7604902 XYAWUJYXCMTTDO-UHFFFAOYSA-N 377.470 1.569 50 40 GDGB CN(C)S(=O)(=O)N1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1 45432380 VQFIUIBLTHITFK-CYBMUJFWSA-N 381.589 1.651 50 40 GDGB COc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 108341352 NKVJBALLJPCOJU-BTZNOAQDSA-N 394.387 1.618 50 40 GDGB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NN 408621356 LEHVALHLMOZTIG-UHFFFAOYSA-N 375.450 1.505 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 8091873 OZWFRQUYSPTRDG-UFFVCSGVSA-N 388.811 1.554 50 40 GDGB N#CC1=C(N)n2c(s/c(=C\c3ccsc3)c2=O)=C(C#N)[C@H]1c1ccsc1 2259123 CQFBOWNZALIRPP-AGKVCYSUSA-N 394.506 1.984 50 40 GDGB COc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)ccc1OC(F)F 2663704 KYCPCRUBNNXSKI-UHFFFAOYSA-N 394.330 1.915 50 40 GDGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(OC)ccc2OC)cc1 5513164 ASHIEOAGQOYOAY-RGVLZGJSSA-N 385.376 1.579 50 40 GDGB O=C(O)Cc1ccc(NC(=O)C[C@@H](CCl)S(=O)(=O)CCCl)cc1 5569643 HVIUBVWXYKVYRZ-LBPRGKRZSA-N 382.265 1.903 50 40 GDGB CCCc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)o1 7604910 SVKWUFHXABNFFD-UHFFFAOYSA-N 384.845 1.994 50 40 GDGB Cc1ccc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(C)c1 14802562 UPBZPQYXKGWMTQ-VBKZILBWSA-N 386.452 1.565 50 40 GDGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 19851792 UWMDBVVSDYILCK-OEAKJJBVSA-N 378.432 1.920 50 40 GDGB CCS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2ccc(C)cc2)n1 27995544 YHWRBDQUTXSJFT-UHFFFAOYSA-N 382.829 1.307 50 40 GDGB C[C@H](O)[C@H](O)CC(/C=N/NC(=O)c1ccccc1)=N\NC(=O)c1ccccc1 104132172 BSCXYPMFDMSTPM-WUMGJCCSSA-N 382.420 1.320 50 40 GDGB CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCl 3885294 VBCHOURZCIUIHA-UHFFFAOYSA-N 389.905 1.731 50 40 GDGB CN(C)N(C(=O)COc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 5298354 BORDZMRTQQYOBR-NSHDSACASA-N 381.281 1.865 50 40 GDGB O=C1Oc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)O)[C@H]12 9361099 XIPVJQCDBDFGPS-NQMVMOMDSA-N 380.359 1.571 50 40 GDGB Cc1cccc(OCC(=O)NNC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c1 15192057 NUSSYQVTIDKSHW-UHFFFAOYSA-N 383.383 1.863 50 40 GDGB O=C(CSc1nnc(-c2ccccc2O)o1)NNC(=O)Cc1ccccc1 850108 YRGHOZFOSUPSQH-UHFFFAOYSA-N 384.417 1.924 50 40 GDGB C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccc(Br)cc1)CS2 24265019 FIOIWOPEGXSWNR-XHDPSFHLSA-N 398.282 1.664 50 40 GDGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(CC(=O)OC)c1ccccc12 1255466 HGFQSNOHMYIEKF-FQEVSTJZSA-N 397.387 1.005 50 40 GDGB CN(C)c1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 101300248 CBOMUZXNAABMDC-LTUGMUNRSA-N 387.914 1.593 50 40 GDGB O=C(COC(=O)c1ccccc1O)NNC(=O)c1ccc(Br)cc1 6947245 RGHCCFCKUPYWCM-UHFFFAOYSA-N 393.193 1.773 50 40 GDGB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccccc2O)C1=O 408530665 FNJXKDVKBBPKFX-QDBSGRMGSA-N 396.359 1.016 50 40 GDGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 6090446 BNPUIQAYMINADU-DHZHZOJOSA-N 378.388 1.297 50 40 GDGB biogenic COc1cccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c1O 408719512 MYXKQECHSPUFLD-DJKKODMXSA-N 386.799 1.858 50 40 GDGB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccn2C)cc1 14233723 SGRXWRCGNHVIDF-LBPRGKRZSA-N 378.454 1.177 50 40 GDGB CCOc1cc(C(=O)NNC(=S)NC[C@@H]2CCCO2)ccc1OC(F)F 6554046 HCCOCJZJWLYVMS-NSHDSACASA-N 389.424 1.975 50 40 GDGB CCCCC(=O)NN/C=C1\C(=O)NC(=S)N(c2cccc(OC)c2)C1=O 4812362 XUAFAYTXROTSRI-JLHYYAGUSA-N 376.438 1.138 50 40 GDGB O=C(CCCOc1ccccc1)NNC(=O)Cn1nnc(-c2ccccc2)n1 7652693 PWBSDSQBZDOPKL-UHFFFAOYSA-N 380.408 1.347 50 40 GDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1C#N 408723063 ZFFNZUJGOAKDEX-AWQFTUOYSA-N 383.364 1.845 50 40 GDGB Cc1ccc(OC(=O)CCl)c(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c1 217378996 JINNMDCMMIYOJX-LLVKDONJSA-N 394.276 1.898 50 40 GDGB O=C(N/N=C/c1cccc(O)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 6890144 RQFLDALPSLROOE-XSFVSMFZSA-N 387.461 1.943 50 40 GDGB O=C(Cn1cc(C(F)(F)F)ccc1=O)NNC(=O)c1c[nH]c2ccccc12 22597443 KQNJSMCVKLQVLD-UHFFFAOYSA-N 378.310 1.810 50 40 GDGB COc1ccc(C2=C(C)OC(=N)[C@]23C(N2CCOCC2)=NC(N)=C3C#N)cc1 78550000 JABURJRQJIABHR-HXUWFJFHSA-N 379.420 1.858 50 40 GDGB CCCCc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9328613 DTUDBLJHHPXWHZ-SFHVURJKSA-N 380.364 1.985 50 40 GDGB CN(C)c1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 18271596 ONKBJJQAAINABF-MRXNPFEDSA-N 386.839 1.973 50 40 GDGB Nc1ccc(C(=O)N/N=C/c2cccn2-c2ccc(S(N)(=O)=O)cc2)cc1 3304649 OGCSLPXBNQBXFP-CIAFOILYSA-N 383.433 1.471 50 40 GDGB CC(C)(Oc1ccc(Cl)cc1)C(=O)NNC(=O)C(=O)NCc1ccco1 12893661 XBJPJEFFDKHONF-UHFFFAOYSA-N 379.800 1.554 50 40 GDGB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NNC(=O)c3ccc[nH]c3=O)ccc12 12979528 YHDYUMVICOCVPX-NSHDSACASA-N 383.360 1.018 50 40 GDGB Cc1cccc(C(=O)NCC(=O)NNC(=O)c2ccc(Br)cc2)c1 2651288 YRQNTDYQIPDEAA-UHFFFAOYSA-N 390.237 1.949 50 40 GDGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(OC)c2)c1 409262955 JRXGKYJMDTVGOP-NKVSQWTQSA-N 391.811 1.985 50 40 GDGB C[C@H](C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)N(c1ccccc1)S(C)(=O)=O 408908231 WDSXZPXXHCTNMS-RNEAKCBISA-N 390.421 1.900 50 40 GDGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1ccc([N+](=O)[O-])cc1 2771228 XAVXRYDAZDBIOX-FCASDWRQSA-N 384.348 1.001 50 40 GDGB O=C(CNC(=O)c1ccco1)N/N=C1\C(=O)Nc2ccc(Br)cc21 15884908 CTSBNTRUWLKJRZ-UHFFFAOYSA-N 391.181 1.245 50 40 GDGB CN(NC(=O)c1cncn1-c1ccc(F)cc1)c1cnn(C)c(=O)c1Cl 40155333 YHQFWJJZTQDUHR-UHFFFAOYSA-N 376.779 1.540 50 40 GDGB CN1C(=O)/C(=C\NNC(=O)c2ccccc2)C(=O)N(c2ccccc2)C1=S 13785845 WICFIJRZMFFDHE-NTCAYCPXSA-N 380.429 1.595 50 40 GDGB CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NNC(C)=O 23198638 XQWPHNITOWLJAE-LLVKDONJSA-N 388.833 1.267 50 40 GDGB CC(=O)NNC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1 96003430 MLXOXXBMZRYBQN-CYBMUJFWSA-N 388.497 1.906 50 40 GDGB COc1cccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3)C2=O)c1 4812762 HMVHUUSECVLNES-RVDMUPIBSA-N 380.360 1.097 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 59434179 PQNDMDBLGPUHMR-KEBDBYFISA-N 383.360 1.681 50 40 GDGB Cc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1F 101314818 BBQLNZSNZHVIJU-DRYFDLRVSA-N 376.862 1.974 50 40 GDGB COc1cccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)c1 408776902 SFHORRKZJOTKGO-YBFXNURJSA-N 379.413 1.751 50 40 GDGB N#CCOc1ccc(Br)cc1/C=N\NC(=O)CN1CCOCC1 60118143 JHJOLUYYSZYDRA-ZDLGFXPLSA-N 381.230 1.134 50 40 GDGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccn1)S(C)(=O)=O 20212866 WQZGNCZYZVKSPG-VXLYETTFSA-N 380.857 1.960 50 40 GDGB O=C(NNC(=O)c1cn(-c2ccccc2Br)nn1)c1ccccn1 48345687 ZBJFSIOQCHQDJN-UHFFFAOYSA-N 387.197 1.500 50 40 GDGB Cc1nc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)nn1-c1ccc(F)cc1 32808613 GLIWHNJMGLFSAQ-MRXNPFEDSA-N 397.366 1.316 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 6497025 XOOGZLOUHYHXFK-WSDLNYQXSA-N 382.420 1.599 50 40 GDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2F)cc1OC 6583077 ZQKMAOOMMGLRIX-VXLYETTFSA-N 395.412 1.272 50 40 GDGB C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)/C=C/C(=O)OCC 12137346 HXRIQHRSEXEXRD-MDZDMXLPSA-N 377.422 1.006 50 40 GDGB COc1cc(OC)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1OC 3445926 ZOGVGFMFKQLXQA-UHFFFAOYSA-N 388.376 1.330 50 40 GDGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OC)c3O)CC2=O)cc1 409158513 OURRSDUJAZHMOJ-LRXPYSHVSA-N 383.404 1.913 50 40 GDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 793497 NXKJUHIFFXUXAO-QGMBQPNBSA-N 395.335 1.127 50 40 GDGB O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)NNC(=O)c1ccccc1 4988154 CSPWHCPHHZQGQP-GOSISDBHSA-N 398.415 1.862 50 40 GDGB CN(C)N(C(=O)COc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 5298383 PBDRJKDWCQXQIW-GFCCVEGCSA-N 391.287 1.320 50 40 GDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 5637624 FIJLQIGZJKJAOX-LLVKDONJSA-N 384.367 1.301 50 40 GDGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2O)ccc1Cl 25323277 NRQCXVIMIXEJRX-UHFFFAOYSA-N 383.813 1.029 50 40 GDGB N#CC(=O)N/N=C/c1cc(Br)cc(I)c1O 100303618 QAOFTIOBGSHXNS-YIXHJXPBSA-N 393.966 1.733 50 40 GDGB COC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 2293781 OTOKVEONYJHTQA-QWHCGFSZSA-N 390.377 1.391 50 40 GDGB COC(=O)c1ccc(Oc2cn[nH]c2-c2ccc(OCC(=O)NN)cc2O)cc1 5158570 DCLMLHFEDZYZQQ-UHFFFAOYSA-N 398.375 1.730 50 40 GDGB O=C(O)C[C@]12CSc3[nH]c(=O)sc3[C@H]1c1cc([N+](=O)[O-])ccc1OC2=O 2689000 NVIAJQVJGSHZSL-BMIGLBTASA-N 394.386 1.962 50 40 GDGB O=C(CN1C(=O)COc2ccccc21)NN[C@@H](C(=O)NC1CC1)c1ccccc1 8943638 SDBHMOMANBEYDX-HXUWFJFHSA-N 394.431 1.053 50 40 GDGB COc1ccc(CCNCCC(=O)N/N=C/c2ccc(O)cc2O)cc1OC 12346284 XUKCIUOIHSUPGA-LPYMAVHISA-N 387.436 1.788 50 40 GDGB COc1cccc(C(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 18193296 NFHDFLOVEYDZPP-BBJIBYMTSA-N 396.428 1.475 50 40 GDGB COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(OC)c1 409115734 GWLZMLYTONRKHV-XDHOZWIPSA-N 391.449 1.864 50 40 GDGB Cc1ccccc1OCC(=O)NNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 1801236 HWDPIUHOZBGFIP-ZDUSSCGKSA-N 381.388 1.206 50 40 GDGB Cn1c(CC(=O)NNC(=O)C[C@@H]2OC(=O)c3ccccc32)nc2ccccc21 15910315 LJZMJGAILRTOQB-INIZCTEOSA-N 378.388 1.565 50 40 GDGB Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@H](c1cccnc1)C(C#N)=C(N)O2 20504018 USFYUTUJYNBNAS-GOSISDBHSA-N 393.447 1.102 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(O)cc1 39986716 LFBFZZDVRGEENL-ODLFYWEKSA-N 391.449 1.480 50 40 GDGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 408721468 RDDUVIFTGZGNRM-FYJGNVAPSA-N 377.408 1.839 50 40 GDGB O=C(NNC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1CC1 1345777 OAHSKKOIEBKFJC-UHFFFAOYSA-N 385.873 1.298 50 40 GDGB Cc1cccc2c(=O)n(CCC(=O)NNC(=O)Cc3ccc(F)cc3)cnc12 24968772 KZNAXEGVAFTSHI-UHFFFAOYSA-N 382.395 1.624 50 40 GDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 9086639 OFKCIHHRXFNQOL-AWEZNQCLSA-N 388.292 1.104 50 40 GDGB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccccc3O)C2=O)c1 408536647 SIUNTIIJXQFSPF-ANKPHQHTSA-N 380.360 1.315 50 40 GDGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1cccc([N+](=O)[O-])c1 408731881 QKBPKFMIKXCWSC-VIZOYTHASA-N 382.789 1.316 50 40 GDGB O=C(CNC(=O)Nc1n[nH]c(=S)s1)NNC(=S)Nc1ccccc1 17123685 QAXDYHPXBFVCIS-UHFFFAOYSA-N 383.484 1.340 50 40 GDGB O=C1CCc2cc(S(=O)(=O)NNC(=O)c3c[nH]c4ccccc34)ccc2N1 12999622 LYKOUJFIWTXYHK-UHFFFAOYSA-N 384.417 1.676 50 40 GDGB C[C@@H](C(=O)N/N=C1\C(=O)N(C)c2ccccc21)n1cnc2ccccc2c1=O 5486722 FSSYULBAEKQPCQ-SVHPAFKASA-N 375.388 1.454 50 40 GDGB CCOC(=O)N1CCN(/C=C(\C#N)S(=O)(=O)c2ccc(OC)cc2)CC1 5488841 YQEQTJWTMVPYGR-DTQAZKPQSA-N 379.438 1.608 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 9509877 WFGXSGLNRRNQPI-UHFFFAOYSA-N 397.727 1.468 50 40 GDGB O=C(CCC(=O)c1ccccc1)NNC(=O)Cn1nnc(-c2ccccc2)n1 8346626 PCWNXXXDGOKGRV-UHFFFAOYSA-N 378.392 1.151 50 40 GDGB C[C@H](S[C@@H](C)C(=O)N/N=C/c1cccnc1)C(=O)N/N=C/c1cccnc1 5641165 KLEBRGPHTATJPG-JYCHQHMPSA-N 384.465 1.587 50 40 GDGB CCCc1nnc(SCC(=O)NNC(=O)c2cc(OC)cc(OC)c2)o1 7604875 KSKKYKYHFPEOGE-UHFFFAOYSA-N 380.426 1.593 50 40 GDGB O=C(NNC(=O)[C@@H]1CCCO1)c1nn(-c2ccccc2C(F)(F)F)cc1O 28671582 HHPGKECURLYGLT-LBPRGKRZSA-N 384.314 1.537 50 40 GDGB Cn1nc(C(=O)NNC(=O)c2csc3c2CCCC3)c2ccccc2c1=O 12818039 XQNAVZNPMPADCX-UHFFFAOYSA-N 382.445 1.949 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2ccccc2c1)[C@H]1COc2ccccc2O1 7428916 OQOKJJMCJQFXHN-GOSISDBHSA-N 384.413 1.989 50 40 GDGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2O)cc1C 13009413 ANFHQKYPVTZMMX-UHFFFAOYSA-N 391.449 1.139 50 40 GDGB Cc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2c(F)cccc2Cl)cc1 1095108 VJHZFZKTXLNDPK-UHFFFAOYSA-N 385.848 1.968 50 40 GDGB C[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)COc1ccc(Br)cc1 6640257 YBRRKUOEFSLAHC-BXKDBHETSA-N 385.214 1.175 50 40 GDGB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccccc3O)C2=O)cc1 106461344 KIJKXNOSGUJXKX-ANKPHQHTSA-N 380.360 1.315 50 40 GDGB CCN(CC)c1ccc(C(=O)NNC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 24788935 GBXWIIMUFWHLFH-MRXNPFEDSA-N 396.513 1.108 50 40 GDGB Cc1ccc(OCC(=O)N/N=C/c2ccccc2OCC(=O)O)c([N+](=O)[O-])c1 9355284 UNTJYQQEPJRMIW-DJKKODMXSA-N 387.348 1.896 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccn3C)CC2)cc1 7785074 STNKBSUWTRLCLO-XSFVSMFZSA-N 388.493 1.885 50 40 GDGB CN1C(=O)/C(=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c2ccccc21 409330011 JOWNEYCDEGAIGU-KNTRCKAVSA-N 386.433 1.193 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1O 408777355 ZBGFSPXDYLRIHX-VXLYETTFSA-N 395.412 1.456 50 40 GDGB CN1CCN(c2ccc(N(C(=O)CCl)[C@H]3CCS(=O)(=O)C3)cc2)CC1 217377426 IILNDMQFJBWZSK-INIZCTEOSA-N 385.917 1.197 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccn2)cc1Cl 16187519 HISUYTCCOJYEPU-GRSHGNNSSA-N 396.856 1.514 50 40 GDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 3409906 BJSCLISHNXVQOR-UHFFFAOYSA-N 381.841 1.665 50 40 GDGB COc1ccc(CC(=O)NNC(=O)CSc2nc(-c3ccncc3)n[nH]2)cc1 6006404 GZKWYZZZKAWRGI-UHFFFAOYSA-N 398.448 1.358 50 40 GDGB CCOc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101309277 YECSZCBMDAHJOD-BLCHQYFCSA-N 388.898 1.926 50 40 GDGB CN(CC(=O)NNC(=O)c1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 12812748 QBRZQWJSVZZMKF-UHFFFAOYSA-N 399.831 1.561 50 40 GDGB Cc1cc(C)n(CC(=O)NNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)n1 6650252 UGFNLRHWRVVBPZ-UHFFFAOYSA-N 394.357 1.716 50 40 GDGB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccccc2O)C1=O 408530659 FNJXKDVKBBPKFX-HMASQMOLSA-N 396.359 1.016 50 40 GDGB CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCC(=O)N1CCOCC1 409197266 ADLFSOKOJJQCRR-LFIBNONCSA-N 399.447 1.508 50 40 GDGB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)NNC(=O)c1ccccc1F 13095575 QEXZGQZPGMWJBA-FUNVUKJBSA-N 376.384 1.525 50 40 GDGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3cc(C(F)(F)F)n[nH]3)C2=O)cc1 102001665 FQRWJOFTIRDBDF-NSHDSACASA-N 397.313 1.004 50 40 GDGB Cc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O 8039653 BXSDNUAEEAFQTO-INIZCTEOSA-N 395.415 1.352 50 40 GDGB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NNC(=O)c1cccnc1 4676789 WDISEQRBRCJWBR-UHFFFAOYSA-N 399.426 1.111 50 40 GDGB CCc1c(C)nc(SCC(=O)NNC(=O)Cc2ccc(OC)cc2)[nH]c1=O 9424890 OOHLFFSMFCEQEC-UHFFFAOYSA-N 390.465 1.132 50 40 GDGB CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl 8026948 NXOZQWGIWDIRNX-LBPRGKRZSA-N 393.296 1.926 50 40 GDGB Cc1ccc(C)c(N2N=C(C(=O)NNC(=O)Cn3nc(C)cc3C)CCC2=O)c1 9544455 POXAEPWRCWJUQX-UHFFFAOYSA-N 396.451 1.447 50 40 GDGB O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 136206990 FHBPPJNBSKRQRH-ZGSHZZHUSA-N 395.047 1.239 50 40 GDGB CCCN(CC(=O)NNC(=O)c1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1 14017859 WETQGGJKYRZIKM-UHFFFAOYSA-N 390.421 1.970 50 40 GDGB CCOC(=O)/C(C#N)=C/NCc1ccccc1S(=O)(=O)N1CCCCC1 22731786 VLVUMEXDACVWHP-JQIJEIRASA-N 377.466 1.921 50 40 GDGB COc1ccc(/C(C)=N/NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 13562104 HLSGNUQOGBMMPL-OFHAZGJWSA-N 396.403 1.973 50 40 GDGB Cc1cc(/C=N\NC(=O)CN2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2 409001273 OSZOCIIWEUTXEC-NHDPSOOVSA-N 384.436 1.605 50 40 GDGB C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 958318590 LOFBWESEBFUNJU-OVXFOVRASA-N 392.448 1.895 50 40 GDGB biogenic,in-vitro O=C(CNC(=O)c1sc2ccccc2c1Cl)NNC(=O)[C@@H]1CCCO1 43108696 FPJQRCNYXXBMIE-JTQLQIEISA-N 381.841 1.611 50 40 GDGB C[C@H](S[C@@H](C)C(=O)N/N=C\c1cccnc1)C(=O)N/N=C\c1cccnc1 104386054 KLEBRGPHTATJPG-UTOHYZOOSA-N 384.465 1.587 50 40 GDGB O=C(NNC(=O)/C(O)=C/C(=O)c1ccccc1)/C(O)=C/C(=O)c1ccccc1 100928982 XVDRHHVULHEQJP-WHYMJUELSA-N 380.356 1.783 50 40 GDGB COc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 12137156 AIGFFYPPSNMAAH-LBPRGKRZSA-N 389.364 1.597 50 40 GDGB Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(C)(=O)=O 6218132 UWSASVRSEZTMTN-YBFXNURJSA-N 389.433 1.610 50 40 GDGB CN1C(=C(C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)N(C)c2ccccc21 32789028 FTLBYWYSDXHUBZ-UHFFFAOYSA-N 375.392 1.020 50 40 GDGB C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN 1558304 DZWKWCBOUNMSHQ-NHYWBVRUSA-N 389.456 1.098 50 40 GDGB O=C1C[C@@H](C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c2ccccc2N1 14250162 RFWCFHMWKIZSPP-CQSZACIVSA-N 391.387 1.465 50 40 GDGB NNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 409389345 HGMOKMYAQAETLY-UHFFFAOYSA-N 381.841 1.460 50 40 GDGB COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)c(OC)c1 11133925 GUVGVPXYOXDDAJ-UHFFFAOYSA-N 392.795 1.975 50 40 GDGB COc1ccc(CC(=O)NN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 100153797 ALPOSKBHYCZBLK-INIZCTEOSA-N 387.823 1.844 50 40 GDGB CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1 30576458 WVXPWIKHGVNISY-OLZOCXBDSA-N 381.404 1.609 50 40 GDGB C[C@@]1(Cc2nsc(NC(=O)c3ccccc3)n2)NC(=O)C(C#N)=C(S)N1 20219897 GCOOOCGMWDSTCE-MRXNPFEDSA-N 386.462 1.433 50 40 GDGB CC(C)n1[nH]cc/c1=N\C(=O)[C@H](C)SC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1 102882650 VHCAJIMRMBKHGQ-BIEVJUDYSA-N 386.481 1.977 50 40 GDGB CC(=O)Nc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1 9334908 MHBNIFGBUSYBBB-UFWORHAWSA-N 397.399 1.078 50 40 GDGB O=C(Cn1nnc(Cn2cnc(Cl)c2Cl)n1)N/N=C/c1cccs1 2153354 FLLOPFYFCBPERN-AYSLTRBKSA-N 385.240 1.437 50 40 GDGB O=C(COC(=O)COc1ccc2c(c1)CCC2)NNC(=O)c1ccccc1F 4439112 KOEYAIMITSSRMI-UHFFFAOYSA-N 386.379 1.698 50 40 GDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccccc1O 868325 NFYHITZFXIDDFV-AWQFTUOYSA-N 377.364 1.524 50 40 GDGB CN(C)C(C/C=N/OCC(=O)N1CCN(c2ccccc2)CC1)=C(C#N)C#N 4053724 BRARNWHHFBUGMZ-NUGSKGIGSA-N 380.452 1.591 50 40 GDGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2F)c2ccccc21 5561220 QSUVIEUUGMHLHE-MOHJPFBDSA-N 378.363 1.056 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C 6953949 IMCNVOICBJSFTK-FSJBWODESA-N 396.447 1.907 50 40 GDGB COc1ccc(C(=O)NNC(=O)CSCC(=O)Nc2ccccc2F)cc1 15480171 AMWINVANNOKKQQ-UHFFFAOYSA-N 391.424 1.967 50 40 GDGB CCN1C(=O)/C(=N/NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c2ccccc21 15974036 MMHOZUSRRXKPKV-RPFFPUSYSA-N 376.416 1.403 50 40 GDGB CC[C@@H](Br)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 96306400 MMLZIBHDTOYDHN-RXMQYKEDSA-N 380.040 1.359 50 40 GDGB O=C(NN/C=C1/C(=O)N(CCc2ccccc2)C(=O)N=C1O)c1ccccc1 4857652 LWGQVJZKJWWSRT-DTQAZKPQSA-N 378.388 1.966 50 40 GDGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccccc2)c2ccccc21 5829002 FGZRQFLYGHWJBK-GFMRDNFCSA-N 392.415 1.235 50 40 GDGB O=C(O)[C@H]1C[C@@H](S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](Cl)C[C@H]1C(=O)O 6668751 LPWQPFFRSHPQJB-NOOOWODRSA-N 391.785 1.540 50 40 GDGB COc1cc(/C=N/NC(=O)c2nonc2N)cc(Br)c1OCC#N 408719109 JEGHJABETVILBG-UBKPWBPPSA-N 395.173 1.089 50 40 GDGB COc1ccccc1N1C(=O)/C(=C\NNC(=O)c2ccncc2)C(O)=NC1=S 38160049 GTWICFVVFUFKKI-BENRWUELSA-N 397.416 1.497 50 40 GDGB Cn1c(=O)n(CCC(=O)NNC(=O)c2cc(Cl)ccc2O)c2ccccc21 14201607 URHFFEKEPJVLNC-UHFFFAOYSA-N 388.811 1.550 50 40 GDGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 409165987 BOYJOLILYFJVJQ-RGVLZGJSSA-N 387.267 1.282 50 40 GDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cncn1-c1ccc(F)cc1 15663417 KLPDVTFOJYTNGS-KRWDZBQOSA-N 382.351 1.612 50 40 GDGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 104334808 AMAQVPWRQYCINN-UGEDRFTOSA-N 391.449 1.098 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 6953883 BZLLYEQMBBZEPF-WSDLNYQXSA-N 382.420 1.599 50 40 GDGB O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)COc1ccccc1F 3613922 POCPWANEGXEUIR-UHFFFAOYSA-N 385.351 1.038 50 40 GDGB C=C(C)C(=O)OCCC[Si](OCCOC)(OCCOC)OCCOC 195768668 DMZPTAFGSRVFIA-UHFFFAOYSA-N 380.510 1.424 50 40 GDGB COc1ccc(-c2cn[nH]c2-c2ccc(OCC(=O)NN)cc2O)cc1OC 18056506 XTLHILMSAMXERQ-UHFFFAOYSA-N 384.392 1.835 50 40 GDGB O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)NNC(=O)c1ccccc1F 100556390 QEXZGQZPGMWJBA-RYUDHWBXSA-N 376.384 1.525 50 40 GDGB Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 29006870 JKRRAAKUFJDUCN-AWEZNQCLSA-N 381.388 1.538 50 40 GDGB CCOC(=O)[C@@H](CSC[C@@H](O)CBr)NC(=O)OC(C)(C)C 4060731 GNQDJWAKAYIOFN-VHSXEESVSA-N 386.308 1.932 50 40 GDGB COc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC(N)=O)c1C 5689490 YBUDZUBNGCBTLX-OQLLNIDSSA-N 396.403 1.748 50 40 GDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc(Br)ccc1O 16494918 SVLQBSVORYXQBR-CQSZACIVSA-N 393.193 1.756 50 40 GDGB COc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)cc1 18222675 DNLIQCZJGDPSKG-OAHLLOKOSA-N 397.387 1.033 50 40 GDGB C=CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)cc1 1596833033 JKPTWBSYIZUOKM-CQSZACIVSA-N 388.424 1.582 50 40 GDGB N#CC1=C(N)n2c(s/c(=C\c3cccs3)c2=O)=C(C#N)[C@H]1c1cccs1 2350605 YKVPEDPSIBRJCY-GSHXUFRSSA-N 394.506 1.984 50 40 GDGB N#C/C(C(=O)NN1C(=O)[C@H]2CCCC[C@@H]2C1=O)=C(/O)c1ccc([N+](=O)[O-])cc1 102044860 RIARNESYNMFFND-ULNCKAKWSA-N 384.348 1.594 50 40 GDGB O=C(CSCc1ccc(Cl)cc1)NNC(=O)C[C@H]1CCS(=O)(=O)C1 12757323 SRWYQJSCGWALPN-GFCCVEGCSA-N 390.914 1.545 50 40 GDGB Cc1ccc(OCC(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)c([N+](=O)[O-])c1 2336956 LJNPKFZLCSCWOC-VIZOYTHASA-N 383.338 1.272 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccncc1 35374888 OJKYSPLPYZCJSI-ODLFYWEKSA-N 376.438 1.169 50 40 GDGB Cc1ccc(O)c(/C(CSc2nnnn2-c2ccccc2)=N/NC(N)=O)c1 5744418 TUWUXTPXKGRFBL-XMHGGMMESA-N 383.437 1.841 50 40 GDGB COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1OC 5720721 PXFMKBHNIOUXBE-WOJGMQOQSA-N 377.422 1.132 50 40 GDGB COC(=O)c1ccc2c(O)nc3c(C(=O)NNC(C)=O)sc(=S)n3c2c1 67341240 JAPBANUZMOYDLK-UHFFFAOYSA-N 392.418 1.552 50 40 GDGB Cc1cc([N+](=O)[O-])nn1CC(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 8666144 BYUHCIQQUVGNDW-UHFFFAOYSA-N 379.358 1.026 50 40 GDGB CC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 670522 AQIPWJZAEQFXNK-UHFFFAOYSA-N 390.421 1.227 50 40 GDGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 67913406 KZJNKSIORXDWKH-WFMWHOQESA-N 378.421 1.241 50 40 GDGB biogenic,in-vitro COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(C)cc3)C2=O)c(OC)c1 100118456 HIZVHOLNTGDTKM-OAHLLOKOSA-N 383.404 1.579 50 40 GDGB COc1ccccc1N(CC(=O)N/N=C/c1ccccc1O)S(C)(=O)=O 408907741 QKYFLVXFVNSBMS-WOJGMQOQSA-N 377.422 1.317 50 40 GDGB COc1ccc(S(=O)(=O)N(CC(=O)NN)C2CCCCC2)cc1Cl 6646972 JJXUZBMMWCIGLR-UHFFFAOYSA-N 375.878 1.662 50 40 GDGB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)c1cccs1 14185724 SIOKSJPLBNXRPM-AWEZNQCLSA-N 381.479 1.512 50 40 GDGB O=C(COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1)NCc1ccco1 408777875 KUYRNZSXBVCIQO-YDZHTSKRSA-N 398.463 1.911 50 40 GDGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 408590858 QTOSWIVQDFQQKC-JZQBQCRLSA-N 384.392 1.615 50 40 GDGB O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccc(O)c(Cl)c1 409265490 IPGWPWVSNDKQCU-DNTJNYDQSA-N 375.768 1.541 50 40 GDGB CC(=O)N[C@@H](CCCCNC(=O)NCCCl)C(=O)NCc1ccccc1 5663010 BNDQJOKGSNLGRU-INIZCTEOSA-N 382.892 1.516 50 40 GDGB CN1C(=O)C2(C(C#N)=C(N)SC(N)=C2C#N)c2cc(Br)ccc21 664276 RQMIFZOOYOQEDB-UHFFFAOYSA-N 388.250 1.798 50 40 GDGB CN(C)N(C(=O)COc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 12684766 SJNYNKVXRCTAAX-GFCCVEGCSA-N 391.287 1.320 50 40 GDGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cccc(F)c1 12745096 BHYQHKGAWNAVRR-UHFFFAOYSA-N 376.207 1.550 50 40 GDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 101318045 YLJUXZOQFCHOPH-CJJVZVCISA-N 388.854 1.256 50 40 GDGB Cc1c(C(=O)NN=C(c2ccccc2)c2ccccc2)nnn1-c1nonc1N 705560 QJUDJNQUHJAFQZ-UHFFFAOYSA-N 388.391 1.723 50 40 GDGB COc1cc(C(=O)NNC(=S)Nc2cn(C)nc2C)ccc1OC(F)F 2797841 HVHZLZYJYVLTIZ-UHFFFAOYSA-N 385.396 1.970 50 40 GDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccco1 12985616 IKGZKONNOQJHFL-JTQLQIEISA-N 392.209 1.856 50 40 GDGB CCn1nc(C(=O)NNC(=O)Cc2cccc(OC)c2)c2ccccc2c1=O 12984963 FILHXHMXKPKTAF-UHFFFAOYSA-N 380.404 1.429 50 40 GDGB O=C(Cc1cn2ccsc2n1)NN[C@@H](C(=O)N1CCOCC1)c1ccccc1 8710113 PDVIWYYVHQPQBN-QGZVFWFLSA-N 399.476 1.159 50 40 GDGB COc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408538246 ZMVNARXHHGKPIW-XBCGRTOLSA-N 398.419 1.294 50 40 GDGB COc1cccc(N2C[C@H](C(=O)NNC(=O)c3cccc(N(C)C)c3)CC2=O)c1 12539332 PAYNPACWZOLQSK-OAHLLOKOSA-N 396.447 1.575 50 40 GDGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 8375468 ZBGUTTTWVAEYHP-JTQLQIEISA-N 379.203 1.609 50 40 GDGB C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)C(=O)NCc1ccccc1 101157398 ZYGICYLDPIBHBN-YDZHTSKRSA-N 396.403 1.552 50 40 GDGB Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c1C 13079317 HGXUQPIBFGRMFY-UHFFFAOYSA-N 392.389 1.354 50 40 GDGB O=C(CCC(=O)NNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 4523998 VBVWZOYZZWHCJQ-UHFFFAOYSA-N 395.868 1.746 50 40 GDGB CN(C)N(C(=O)/C=C/c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 8939251 OTZLUARXRDGKDM-PSKZRQQASA-N 387.299 1.955 50 40 GDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)COc3cccc(C)c3)CC2=O)cc1 32765663 QFILILHAUCJSHT-OAHLLOKOSA-N 397.431 1.583 50 40 GDGB O=S1(=O)C=C[C@H](NC(=S)OCC(Br)Br)C1 59568554 MOYWVLFRSVXBGN-YFKPBYRVSA-N 379.095 1.304 50 40 GDGB O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)c1n[nH]c(=O)c2ccccc12 12944187 VOVADECRHGQIHD-UHFFFAOYSA-N 376.416 1.806 50 40 GDGB Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C/c1cc(Cl)ccc1O 1273554 GTYMTXFUXODFRZ-AWQFTUOYSA-N 386.795 1.643 50 40 GDGB Cn1cc(Cl)cc1C(=O)NNC(=O)CN1C(=O)CSc2ccccc21 12394710 WIORYKBILUEFHK-UHFFFAOYSA-N 378.841 1.578 50 40 GDGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccc(O)cc1 109034316 AUHXYJGBTVUOJD-UYRXBGFRSA-N 375.450 1.347 50 40 GDGB CC(C)(C)OC(=O)N1CC(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 84199987 AQFYEJQQQNBTHP-OAHLLOKOSA-N 391.424 1.231 50 40 GDGB O=C(N/N=C/c1cccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1 3189710 DOGQJQRYPLQKBG-LDADJPATSA-N 378.479 1.694 50 40 GDGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)cc1 5531661 DUBVOJXRKKBWLE-KZKLBEMASA-N 391.449 1.706 50 40 GDGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 7958682 PANNFLINQIASCY-OAHLLOKOSA-N 388.445 1.315 50 40 GDGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(N)=O)NC(=O)[C@@H]1C(=O)OC 9329860 UHSGIZIMIHBINJ-HUUCEWRRSA-N 389.433 1.042 50 40 GDGB COc1ccc2c(c1)[n+]([O-])c(/C(C)=N\NC(=O)c1ccccc1O)c(C)[n+]2[O-] 17196822 RCPHSWPYBOFZEQ-JAIQZWGSSA-N 382.376 1.283 50 40 GDGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 67913415 LOFBWESEBFUNJU-WPQSKBQZSA-N 392.448 1.895 50 40 GDGB biogenic,in-vitro COCc1cc(C)n(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)c(=O)c1C#N 98087299 CICKFQGPTHHPQD-LSHDLFTRSA-N 398.419 1.342 50 40 GDGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(Br)c1 408815288 PXVAFJOSDUCPFM-KPKJPENVSA-N 396.241 1.373 50 40 GDGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OCC(N)=O)cc1 4454728 DDYMYSJYOBISLC-QGZVFWFLSA-N 389.367 1.875 50 40 GDGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3)C2=O)cc1C 5071806 MRRZBQNYMFUGMY-LFIBNONCSA-N 378.388 1.705 50 40 GDGB CC(C)n1nc(C(=O)NNS(=O)(=O)c2ccccc2)c2ccccc2c1=O 13008050 ZCKIFTWBLXWBGI-UHFFFAOYSA-N 386.433 1.601 50 40 GDGB COc1cccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3O)C(=O)N=C2O)c1 17124340 YWOWJPRCBFTZML-UVTDQMKNSA-N 396.359 1.007 50 40 GDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 28215000 URCBYOUBUBXEIG-QKXOWGBTSA-N 397.431 1.880 50 40 GDGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccc(F)cc3)C(=O)NC2=S)cc1 408763419 OEZSTKUJZUMNID-IZBZYRJBSA-N 398.419 1.914 50 40 GDGB O=C(Cc1n[nH]c(=O)c2ccccc12)N/N=C/c1cc2c(cc1Cl)OCO2 5909008 NNSVMLWDSGDMEJ-DNTJNYDQSA-N 384.779 1.998 50 40 GDGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1ccccc1 408682618 JVSAFFAGPFRBCP-ORIIPUBOSA-N 394.221 1.739 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(O)c2)cc1C 33881685 FJTFKIQJUNGYHA-ODLFYWEKSA-N 391.449 1.480 50 40 GDGB CCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(OC)cc3)C2=O)cc1 4777332 ZYTHQDLHBFMYIP-KRWDZBQOSA-N 383.404 1.660 50 40 GDGB COCc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)C(C#N)=C(N)O2 8565508 LJIOQYSXVMEKOJ-UHFFFAOYSA-N 379.420 1.816 50 40 GDGB O=C(NNC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)c1ccccc1 40068949 CDPMWFOMKULPNN-UHFFFAOYSA-N 396.447 1.630 50 40 GDGB CCOC(=O)c1cnc(SCC(=O)NNC(=O)c2cccc(C)c2)nc1N 4171063 NKJNVZAJSGHUNC-UHFFFAOYSA-N 389.437 1.097 50 40 GDGB NC(=O)CCn1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc21 409262577 IXUZQWYUMLJTHH-FOKLQQMPSA-N 392.415 1.938 50 40 GDGB COc1ccc(CC(=O)NNC(=O)COCC(=O)N[C@H](C)c2ccccc2)cc1 4696087 ABRDRVHGYNTARP-OAHLLOKOSA-N 399.447 1.279 50 40 GDGB CCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1 9460868 LHPKYTCNBRLUNJ-RGVLZGJSSA-N 398.427 1.909 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)O)c1ccccc1F 408784043 QUHGXNBYZDKUIJ-VXLYETTFSA-N 393.396 1.440 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 6867527 IWSXIOYRSYGTND-YDZHTSKRSA-N 394.431 1.765 50 40 GDGB CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3n[nH]c4c3CCCC4)CC2=O)cc1 12531464 QMWJQJUAQWHXPG-CQSZACIVSA-N 395.463 1.665 50 40 GDGB NC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1 58840027 ANTDRNKBYYWULE-UFWORHAWSA-N 392.209 1.783 50 40 GDGB Nc1nnn(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)n1 2313379 SHKHOMOBINXAMC-AWQFTUOYSA-N 385.815 1.638 50 40 GDGB O=C1C(F)=C(NCCBr)C(=O)C(F)=C1NCCBr 1748724 WXCCQKWYRCIWGW-UHFFFAOYSA-N 388.006 1.469 50 40 GDGB COc1cc(C(=O)N/N=C/c2ccccc2OCC(=O)O)cc(OC)c1OC 3576377 CSDRPNRJNAXWJY-KEBDBYFISA-N 388.376 1.940 50 40 GDGB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 12531317 XTEZCCUDUZNMSG-UHFFFAOYSA-N 399.842 1.906 50 40 GDGB COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2O)CC1=O 13022974 FTEPJUAKRSEPSL-ZDUSSCGKSA-N 383.404 1.523 50 40 GDGB CC1=NN(c2ccc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2)CC1 42213520 WGWSYQSEEXRGAH-GOSISDBHSA-N 380.404 1.874 50 40 GDGB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(C)cc3)C2=O)c1 408537036 UKMHWIYSCMSYQD-XYHOIZSOSA-N 394.387 1.618 50 40 GDGB CC(=O)Nc1nnc(CC(=O)N/N=C/c2cc(Br)ccc2O)s1 408729834 DNDZQFFGJOFFNL-GIDUJCDVSA-N 398.242 1.657 50 40 GDGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCC(N)=O 408798842 GASJCPSZXCTUKA-GZTJUZNOSA-N 379.416 1.825 50 40 GDGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccncc1)S(C)(=O)=O 408874926 FKCDSZUIWLVRRD-VXLYETTFSA-N 380.857 1.960 50 40 GDGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1[nH]ncc1Br 867439 YILYSZCIBFNJSA-LZWSPWQCSA-N 382.130 1.573 50 40 GDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccccc2O)CC1 59434055 HRMDNNVOGQLJME-KGENOOAVSA-N 382.420 1.200 50 40 GDGB O=C(COc1ccccc1)NCC(=O)NNC(=O)Cc1c[nH]c2ccccc12 9885527 FXNZCSDCWMNJLX-UHFFFAOYSA-N 380.404 1.053 50 40 GDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(OC)c3)CC2=O)cc1 408614385 BQOHOJDJPAIWBQ-CQSZACIVSA-N 383.404 1.518 50 40 GDGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc(OC)c1OC 4570669 DMFLLIPNWANCEJ-INIZCTEOSA-N 383.404 1.938 50 40 GDGB COc1ccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C3c4ccccc4N=CN32)cc1 9576691 BMGNNZUCWKZSEV-ZTBJCTOSSA-N 390.403 1.371 50 40 GDGB CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)C1CCCCC1)C2=O 89948242 KZZUTMURPOXXGO-UHFFFAOYSA-N 378.473 1.605 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C 6497047 ZODFNNPYPZKPBM-FSJBWODESA-N 396.447 1.907 50 40 GDGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccccc1F 8984030 WTCIZOYTCZQAMO-UHFFFAOYSA-N 376.207 1.550 50 40 GDGB COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OC(C)=O 408765303 VHJWZVIUCPMAOP-YCRREMRBSA-N 386.145 1.617 50 40 GDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1)NCc1ccccc1 409259358 ZAGFRBYUZJAUMP-YDZHTSKRSA-N 394.431 1.111 50 40 GDGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccc2c(c1)OCO2 6295397 GKHFINUMXWARQP-UFFVCSGVSA-N 396.359 1.898 50 40 GDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 101314351 WZDZKFOXTBKTQD-OXLCNLPBSA-N 376.862 1.662 50 40 GDGB C/C(=N\NC(=O)CN1CCOCC1)c1ccc(I)cc1 20248729 JAVRBXHTOXVEOD-LFIBNONCSA-N 387.221 1.464 50 40 GDGB O=C(NN/C=C1\C(=O)N(c2ccccc2Cl)C(=O)N=C1O)c1ccncc1 9186461 ZMALNJLUIWIDDU-LUAWRHEFSA-N 385.767 1.977 50 40 GDGB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(Cl)cc1 7736335 OMIVUPQEPVUXGY-UHFFFAOYSA-N 377.740 1.866 50 40 GDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(OC)c3)CC2=O)cc1 408614384 BQOHOJDJPAIWBQ-AWEZNQCLSA-N 383.404 1.518 50 40 GDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccco2)c1 16187529 CCVRHCVWWDNUKC-YVLHZVERSA-N 381.410 1.068 50 40 GDGB C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(O)cc1 3117760 PWXWWHPRXIHLIG-MUOOZZNISA-N 392.393 1.118 50 40 GDGB CCCOc1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1OC 12697360 AOHFXJISSWPVNY-UHFFFAOYSA-N 391.468 1.942 50 40 GDGB CC(=O)N(C(C)=O)N(C(C)=O)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 101413609 QAGRGTOWXRZZPZ-UHFFFAOYSA-N 393.399 1.840 50 40 GDGB Cc1nc(C)c(CC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c(=O)[nH]1 58184036 HUVHKCMEBNXIMA-UHFFFAOYSA-N 393.447 1.798 50 40 GDGB O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)c1ccc([N+](=O)[O-])cc1 2623567 DOHFPPAXVKQZLR-UHFFFAOYSA-N 389.389 1.919 50 40 GDGB C#CCN1C(=O)/C(=N/NC(=O)c2ccccn2)c2cc(Br)ccc21 13597321 LCDBHUMPUSKNDO-HMMYKYKNSA-N 383.205 1.958 50 40 GDGB O=C(NNC(=O)[C@@H]1CC1(Cl)Cl)c1ccc2c(=O)n3c(nc2c1)CCC3 40160286 ZSKIFQNRCJJZSC-JTQLQIEISA-N 381.219 1.298 50 40 GDGB COC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)c1 24752417 PUPFAODYZKCZIN-UHFFFAOYSA-N 399.428 1.953 50 40 GDGB CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccc(O)c(OC)c3)cnc2s1 958372 AZZIYTSVSSBMDR-DNTJNYDQSA-N 386.433 1.885 50 40 GDGB NS(=O)(=O)c1ccc(N(CCBr)CCBr)cc1 1713565 WWKINABOMDPLIE-UHFFFAOYSA-N 386.109 1.930 50 40 GDGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccco3)CC2)cc1 35442337 MOOUDNKMQXRFEY-CPNJWEJPSA-N 390.465 1.045 50 40 GDGB CCCc1nnc(S)n1CC(=O)NNC(=O)c1cc(Br)c[nH]1 24123969 FFBSTXGBIWGWNL-UHFFFAOYSA-N 387.263 1.071 50 40 GDGB CC1(C)CC(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)CC(C)(C)N1 3668956 OZNXNISHKJMFEY-YBFXNURJSA-N 375.429 1.470 50 40 GDGB O=C(Cc1ccccc1)NCC(=O)NNC(=O)COc1ccccc1Cl 6647986 XXXWRQFLOSGUIQ-UHFFFAOYSA-N 375.812 1.225 50 40 GDGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccc(O)cc3)C(=O)NC2=S)cc1 408752344 DQBQIOGVRXIELB-RKQRPNFGSA-N 396.428 1.480 50 40 GDGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 20213653 RHODHWLCMOLFMR-LPYMAVHISA-N 395.444 1.822 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)cc1C(=O)O 226856605 OAYZEZOXAICDSH-UHFFFAOYSA-N 384.797 1.670 50 40 GDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1)NCc1ccco1 5945225 VGHFOJUPFWACTL-WSDLNYQXSA-N 398.419 1.047 50 40 GDGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 15244126 UQWJITCFOPTEGD-UHFFFAOYSA-N 392.477 1.999 50 40 GDGB C[C@@]1(NC(=O)OCC(Br)Br)CCS(=O)(=O)C1 59568550 CVYKNEHMNKOOCX-MRVPVSSYSA-N 379.070 1.406 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)OCCO2 9386744 CWKMMNSNZSQNHS-UHFFFAOYSA-N 388.445 1.960 50 40 GDGB O=C(CCc1ccc2c(c1)OCO2)NNC(=O)CN1CCCc2ccccc21 21973085 ZDQOCVWSNKZYAE-UHFFFAOYSA-N 381.432 1.948 50 40 GDGB CN(C)N(C(=O)COc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 8920338 QDTXDMCQHCJNHK-LLVKDONJSA-N 381.281 1.865 50 40 GDGB CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 58082794 NPCKODAHPVZAOP-QGZVFWFLSA-N 399.472 1.801 50 40 GDGB O=C(O)[C@@H]1C[C@H](Cl)[C@H](S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)O 6668753 LPWQPFFRSHPQJB-WISYIIOYSA-N 391.785 1.540 50 40 GDGB Cc1cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)/C=C/c2ccccc2)c(C)o1 9595818 UJCMRPXGCDOSQS-LXKVQUBZSA-N 391.449 1.636 50 40 GDGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1O 5603019 LGHDNQWYEPTMAA-RGVLZGJSSA-N 390.237 1.964 50 40 GDGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1 7813058 GUVIYQBUGMIEBF-GIJQJNRQSA-N 386.246 1.920 50 40 GDGB COc1cc(OC)cc(C(=O)NN[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1 101687126 LVXSJKVQGHIRIV-INIZCTEOSA-N 387.367 1.409 50 40 GDGB COC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC)C(=O)N1 2300865 YFSHYHLNKSDTRS-ZIAGYGMSSA-N 394.836 1.984 50 40 GDGB Cn1c(CC(=O)NNC(=S)NCc2ccc3c(c2)OCO3)nc2ccccc21 2658408 MFJQYZKSIBCTOW-UHFFFAOYSA-N 397.460 1.540 50 40 GDGB COc1ccccc1C(=O)N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21 4689529 YCJRJWTYOJQBTJ-QOCHGBHMSA-N 394.431 1.466 50 40 GDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 12947203 CMUZEUHIDUAWRX-UHFFFAOYSA-N 393.377 1.298 50 40 GDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 16694045 DAIGCRRTWZBNRJ-SXGWCWSVSA-N 398.378 1.419 50 40 GDGB Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccccc3O)C2=O)cc1 106461339 KIJKXNOSGUJXKX-DGURAOSJSA-N 380.360 1.315 50 40 GDGB O=C(N/N=C/c1ccsc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3525189 KSYKATYYXVQFDA-GZTJUZNOSA-N 379.463 1.533 50 40 GDGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2)c1 6478834 SAEJQBYJTTVWID-WSDLNYQXSA-N 396.447 1.987 50 40 GDGB COc1cccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c1 34714289 MYEZFBOBPXCUGI-ZHZULCJRSA-N 389.477 1.650 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 58873394 COAWYLJOVHLFTP-ZVHZXABRSA-N 394.431 1.134 50 40 GDGB CN(C)c1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101300244 CBOMUZXNAABMDC-YXEAAEFPSA-N 387.914 1.593 50 40 GDGB COC[C@H](C)O[Si](O[C@H](C)COC)(O[C@H](C)COC)O[C@H](C)COC 253372270 DVYWNXMKZUKBRA-FPCVCCKLSA-N 384.542 1.628 50 40 GDGB COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccnc3)n2C)cc1 900105 VZAIFVKTKJTLKF-UHFFFAOYSA-N 398.448 1.439 50 40 GDGB endogenous,in-man Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(I)c2)n1 12665966 KDWFUHMAXOSBIX-UHFFFAOYSA-N 398.204 1.566 50 40 GDGB COc1ccc(NCC(=O)NNC(=O)CCc2cc(OC)cc(OC)c2)cc1 12772640 QPKKYGURJBOFJP-UHFFFAOYSA-N 387.436 1.905 50 40 GDGB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N/N=C\c1ccc(Br)o1 34694928 HYHNETQIMAOEQH-IDUWFGFVSA-N 395.169 1.830 50 40 GDGB CS(=O)(=O)N(CC(=O)NNC(=S)Nc1ccccc1)c1ccc(F)cc1 9189582 NFMPKEIBVCXQKZ-UHFFFAOYSA-N 396.469 1.610 50 40 GDGB CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 25359012 JXTJMNUXAWEFSW-OAHLLOKOSA-N 381.498 1.559 50 40 GDGB Cc1ccccc1C(=O)NNC(=O)CCCC(=O)NNC(=O)c1ccccc1C 97940319 OJWBDGOLNCTSDZ-UHFFFAOYSA-N 396.447 1.696 50 40 GDGB COc1ccc(/C=N/NC(=O)c2ccncc2)cc1Cn1cnc([N+](=O)[O-])n1 25581755 YGNDLQAMWJUPJQ-AWQFTUOYSA-N 381.352 1.402 50 40 GDGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)c1 408789195 KOJLRTRNYURYGJ-YBFXNURJSA-N 375.450 1.925 50 40 GDGB O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1cc(=O)[nH]c(=O)[nH]1 1690734 SXLLQTNEITYMMY-VXLYETTFSA-N 398.250 1.111 50 40 GDGB Cn1/c(=N\NC(=O)CNS(=O)(=O)c2ccccc2)sc2ccccc21 101211249 JUCWQBCFJSFKKX-KNTRCKAVSA-N 376.463 1.150 50 40 GDGB O=C(CCC(=O)NNC(=O)c1ccc(Br)cc1)NCc1ccco1 4700530 POIZTMKSHSVBAX-UHFFFAOYSA-N 394.225 1.900 50 40 GDGB CN(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 6544461 LKXJKVOGGSWMDX-VCHYOVAHSA-N 394.384 1.505 50 40 GDGB CCc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)sc1C 12801921 VHBSMVRIDIMFPJ-UHFFFAOYSA-N 380.495 1.987 50 40 GDGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 21001386 ZKLANRDQKYIWGD-AWEZNQCLSA-N 382.376 1.717 50 40 GDGB O=C(NN/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O)c1ccncc1 9042372 WMLPEZGBWJZLQU-PKNBQFBNSA-N 385.380 1.627 50 40 GDGB COc1ccc(C(=O)NNC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1OC 29754819 VVBAADHGBKRZBW-AWEZNQCLSA-N 385.424 1.171 50 40 GDGB COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccccn2)c(OC)c1 18123112 FRNWCKJZIUCGLE-FSJBWODESA-N 399.407 1.558 50 40 GDGB O=C(O)/C=C\C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 409383623 YKLVRIHWANYAPA-KTKRTIGZSA-N 387.779 1.994 50 40 GDGB COc1ccc(OC)c(CN2CCN(C(=O)NNC(=O)c3ccccc3)CC2)c1 40068948 ONEDMCXWKXDPKN-UHFFFAOYSA-N 398.463 1.876 50 40 GDGB CCc1ccc(OCC(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 32976217 FETUGGFVOWTXPZ-KDOFPFPSSA-N 377.466 1.229 50 40 GDGB Cc1n[nH]c2c1[C@H](c1cn(CC(N)=O)nc1-c1ccccc1)C(C#N)=C(N)O2 4550816 ZWPYQSPBOIWBQZ-INIZCTEOSA-N 375.392 1.285 50 40 GDGB O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccc2c(c1)OCO2 6653430 IFTMBXKLPHLKLW-UHFFFAOYSA-N 380.360 1.046 50 40 GDGB NNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408589789 FOBOIUXEGDLIJJ-CYBMUJFWSA-N 388.276 1.873 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408537369 VNLYQISRZILDHJ-WBSUSXOESA-N 382.420 1.594 50 40 GDGB COc1ccc(OCCCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 10215513 PQZZHPIKNHFCEX-UHFFFAOYSA-N 396.407 1.291 50 40 GDGB Cn1cnnc1SCc1ccc(C(=O)NNC(=O)c2cccnc2O)cc1 12763417 WPYFWRRASNXXMU-UHFFFAOYSA-N 384.421 1.283 50 40 GDGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccccc1F 15231442 NRCQLANSVVYNGX-BRUSPLQXSA-N 386.427 1.979 50 40 GDGB C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN(C)C)c2ccccc21)c1cccs1 19907661 GVXCRJGCWGNSHX-PQSGWSMWSA-N 399.476 1.875 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 20207616 CNWMNXXMMCKEGW-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB O=C(NNC(=O)[C@H]1CCCO1)c1nn(-c2ccccc2C(F)(F)F)cc1O 28671585 HHPGKECURLYGLT-GFCCVEGCSA-N 384.314 1.537 50 40 GDGB CCOc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)cc1 57345455 AMYWVQOYXWAUDU-UHFFFAOYSA-N 382.486 1.049 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 408789152 JVXZASJPQZZDIW-VCHYOVAHSA-N 394.384 1.650 50 40 GDGB Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)CNC(=O)NCc1ccco1 1754266 KFFHURNQPCQECQ-UHFFFAOYSA-N 390.356 1.148 50 40 GDGB Cc1ccc([C@H](CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)NC(N)=O)cc1 12820227 KEBJOIKSBTYQRJ-HNNXBMFYSA-N 385.380 1.464 50 40 GDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NC(=O)Nc1ccc(Br)cc1 16694029 ULZTYRKXLMWEFM-GHXNOFRVSA-N 375.182 1.951 50 40 GDGB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NNC(=O)COc1ccccc1C#N 8247407 UVMOQJLVAIAVEP-RUMSDORHSA-N 392.415 1.303 50 40 GDGB Cc1cccc(C)c1OCC(=O)NNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 32999566 HWZAXEYICDAGET-UGSOOPFHSA-N 377.466 1.284 50 40 GDGB COc1cc([N+](=O)[O-])ccc1NC(=O)C/C(C)=N/NC(=O)C(=O)NC(C)(C)C 101544043 YOFHZAOXRHHRJK-KEBDBYFISA-N 393.400 1.339 50 40 GDGB CCCOC(=O)CCC(=O)NC(=S)NNC(=O)Cc1ccc(Cl)cc1 12137499 BVPJDXBAIRUWKH-UHFFFAOYSA-N 385.873 1.638 50 40 GDGB COc1cccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(C)(=O)=O)c1 408783917 OQTWGIJDPPALBM-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1cc(C(C)(C)C)n[nH]1 71285296 YTWGITZGDAVCFS-UHFFFAOYSA-N 386.455 1.179 50 40 GDGB CN1CCC(=NNC(=O)CCCCCC(=O)NN=C2CCN(C)CC2)CC1 5913666 RQWIILBBKRHHRE-UHFFFAOYSA-N 378.521 1.333 50 40 GDGB O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NNC(=O)c1ccccc1 4968181 BKNFSJJUTOIKFF-UHFFFAOYSA-N 396.426 1.669 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc2ccccn12 2639292 OAPIPRFUFZQVRM-UHFFFAOYSA-N 391.840 1.945 50 40 GDGB O=C(O)c1cc(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)ccc1F 12807633 KUGRJGBDXPMPJZ-UHFFFAOYSA-N 377.353 1.629 50 40 GDGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1 32969064 IYNXWIJSZXGCDK-LRDDRELGSA-N 378.473 1.593 50 40 GDGB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1cccnc1 1235804 LFFODQQNCDBIGE-ZROIWOOFSA-N 398.469 1.744 50 40 GDGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Cl)c2)cc1OC 409323874 QACQQUHZEYOKRC-NKVSQWTQSA-N 391.811 1.985 50 40 GDGB O=C(COc1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408729566 CKMYUGNPIZEBMP-HYARGMPZSA-N 397.431 1.453 50 40 GDGB CS(=O)(=O)N1CCCc2cc(C(=O)NNC(=O)C3CCCCC3)ccc21 7976516 TUXBWUSHLCDGJI-UHFFFAOYSA-N 379.482 1.740 50 40 GDGB CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 8113410 FWFVQWWXAKTAQZ-UHFFFAOYSA-N 398.462 1.112 50 40 GDGB CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2ccccc2O)c1 5659516 OKQVVRCIFFHGBA-UHFFFAOYSA-N 394.478 1.274 50 40 GDGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCC(N)=O)c(OC)c2)cc1 17080790 KUJBBXSKGGOJCO-SXGWCWSVSA-N 395.415 1.791 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccnc2)cc1C 35084629 KGUGQCJFSLEQHP-ODLFYWEKSA-N 376.438 1.169 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 6953872 WQLJCUUWQXCOBG-WSDLNYQXSA-N 398.419 1.299 50 40 GDGB COc1cccc(/C=C/C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1OC 6161119 YEULJDMEXWSQNZ-VAWYXSNFSA-N 394.431 1.994 50 40 GDGB COc1ccccc1N/C=C1\C(=O)N(CCN2CCOCC2)C(=O)C(C#N)=C1C 9422020 IJLMEJCPLWMOET-VKAVYKQESA-N 396.447 1.532 50 40 GDGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1)Nc1ccc(F)cc1 409248471 GSSUKAYMXFSQPM-SSDVNMTOSA-N 398.394 1.572 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc(C)c1Cl 17081176 UULQGIJJFWZALO-NEBZKDRISA-N 396.827 1.361 50 40 GDGB O=C(COc1ccccc1Cl)NNC(=O)c1cnc2sccn2c1=O 12907812 SAYFTHWSIYSXAW-UHFFFAOYSA-N 378.797 1.249 50 40 GDGB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccn2C)cc1 14233720 SGRXWRCGNHVIDF-GFCCVEGCSA-N 378.454 1.177 50 40 GDGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc(OC)c1OC 793493 YANYAKJAJOTMIT-RGVLZGJSSA-N 396.407 1.516 50 40 GDGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1O 4976885 NPVMFJIINMQHIT-UKTHLTGXSA-N 387.417 1.984 50 40 GDGB CCNC(=O)/C(C#N)=C\N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 36589864 WCGCOIXNUNCODR-ABTHQDHZSA-N 390.490 1.305 50 40 GDGB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccccc2F)C1=O 29550112 SRPNERUUVKBWFJ-LJQANCHMSA-N 384.367 1.054 50 40 GDGB CC1(C)[C@@H](CSS(C)(=O)=O)[C@@H](CSS(C)(=O)=O)C(C)(C)N1O 83434029 UFKKQFGMIKQTFD-AOOOYVTPSA-N 391.602 1.866 50 40 GDGB in-vitro COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1OC 6356947 PYPUJNSPBSQHCE-XDHOZWIPSA-N 391.449 1.475 50 40 GDGB O=C(NNC(=O)C1CC1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 24555055 LYZZVLXULRNTSO-UHFFFAOYSA-N 393.490 1.440 50 40 GDGB Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 20028874 MJVGTYOSRQLRJE-UDWIEESQSA-N 385.424 1.785 50 40 GDGB CCN(CC)c1ccc(C(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 32969038 KODULSLQNOSACR-BEFAXECRSA-N 390.509 1.748 50 40 GDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1 5513717 HDGFCWYMTKVHJL-RGVLZGJSSA-N 386.364 1.379 50 40 GDGB O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)COc1ccc(F)cc1 6627181 JGFNSANAHJGASU-UHFFFAOYSA-N 387.367 1.740 50 40 GDGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)n1 7386802 FFEJLTUVJNGEPK-UHFFFAOYSA-N 377.253 1.816 50 40 GDGB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)NNC(=O)c3ccccc3)ccc21 7837343 YWRZRFYLKKSGDG-GFCCVEGCSA-N 381.392 1.458 50 40 GDGB O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)Cc1ccc(F)cc1 8415673 DXXWPDSVIYOQQX-UHFFFAOYSA-N 377.803 1.989 50 40 GDGB Cc1cc(C)nc(NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)n1 14510374 DJGNEFGGWHTFAZ-UHFFFAOYSA-N 383.861 1.754 50 40 GDGB Cc1cc(S(=O)(=O)NNC(=O)c2cccn2C)ccc1OCCCC(=O)O 58232379 IJLOQFHJMSLNPV-UHFFFAOYSA-N 395.437 1.200 50 40 GDGB CC(=O)NNC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1 96003429 MLXOXXBMZRYBQN-ZDUSSCGKSA-N 388.497 1.906 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 102914691 WQWUXMITHICBNG-HOTGVXAUSA-N 387.436 1.412 50 40 GDGB COc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1OC 108098848 BIRIYOAXBSUPLY-UNOMPAQXSA-N 397.497 1.748 50 40 GDGB C=C(C)C(=O)O[C@H]1C(C=O)=CCCC(CO)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H]1OC 1775956810 QCTMSISXUVDOLP-OWSLCNJRSA-N 376.405 1.425 50 40 GDGB biogenic,in-vitro CCC(CC)=NNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 4421296 UBCWAUXNTAZPEU-UHFFFAOYSA-N 388.877 1.027 50 40 GDGB CCCc1c(C(=O)N/N=C(\C)c2ccc(OC)cc2)nnn1-c1nonc1N 9307317 SRLYVSVKNOZIOM-VXLYETTFSA-N 384.400 1.348 50 40 GDGB O=C(NNS(=O)(=O)/C=C/c1ccccc1)c1csc(N2CCOCC2)n1 7384521 NJNSSRXHQAHWLZ-IZZDOVSWSA-N 394.478 1.215 50 40 GDGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1c(Cl)cccc1Cl 19831193 WMLKTVVJJSAFQD-RGVLZGJSSA-N 387.267 1.282 50 40 GDGB CCCn1c(SCC(=O)NNC(=O)c2cc(C)c(CC)s2)n[nH]c1=O 40150487 RBOMCNKPROVONT-UHFFFAOYSA-N 383.499 1.467 50 40 GDGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)cc1 19954606 VADXTKHXXKQCHR-DEDYPNTBSA-N 388.493 1.977 50 40 GDGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(=O)N1CCCCC1 4852693 MEYBMOGMGNVNTJ-SNVBAGLBSA-N 388.251 1.921 50 40 GDGB Cc1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1 8413308 RHOYVSOCTPYYMO-UHFFFAOYSA-N 383.404 1.718 50 40 GDGB COc1ccc(C(=O)NNc2nc3cc(OC)c(OC)cc3c(=O)n2C)cc1 12861927 WSKYBQIKAKSKNO-UHFFFAOYSA-N 384.392 1.716 50 40 GDGB CCCn1nc(C(=O)NNC(=O)c2ccc(Br)s2)ccc1=O 7263277 OPRBJPCCPJIZMW-UHFFFAOYSA-N 385.243 1.552 50 40 GDGB COC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1 5918278 RJFZGHCKJOCHEJ-MTJSOVHGSA-N 386.404 1.948 50 40 GDGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(N)s2)cc1Br 5128038 QGXFXQYMEIHLEX-FRKPEAEDSA-N 383.275 1.642 50 40 GDGB O=S1(=O)CC[C@H](CNC(=S)OCC(Br)Br)C1 59568565 BCUDLXUTLGIIOQ-ZCFIWIBFSA-N 395.138 1.428 50 40 GDGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1OC 2216467 GKZAMKQLJBUTPD-KRWDZBQOSA-N 383.404 1.938 50 40 GDGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc([N+](=O)[O-])c1O 57415930 HHARZUJLYUATAN-REZTVBANSA-N 391.409 1.958 50 40 GDGB Cn1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c2ccccc21 40079651 QQDBYIKURMXDLA-AWEZNQCLSA-N 376.416 1.992 50 40 GDGB COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc(OC)c1O 1444803 DSLWFXFEIOBADP-GIJQJNRQSA-N 375.337 1.847 50 40 GDGB COC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 2293780 OTOKVEONYJHTQA-STQMWFEESA-N 390.377 1.391 50 40 GDGB C[C@H](Sc1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 12801669 XKIXUDLTBXXNKK-LBPRGKRZSA-N 392.506 1.922 50 40 GDGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)CSc1nc2ccccc2s1 25580826 NEHFJEMILRXZLE-OVCLIPMQSA-N 392.426 1.475 50 40 GDGB Cc1n[nH]c2c1[C@@H](c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2 4005042 HCWMCUVDXIYQLT-INIZCTEOSA-N 381.392 1.767 50 40 GDGB COCc1cc(C)nc(NNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C#N 408722739 WRCUGTLMUUKQNW-UHFFFAOYSA-N 386.324 1.981 50 40 GDGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408777710 GQMMUIFFGASALQ-UFWORHAWSA-N 376.756 1.876 50 40 GDGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1ccncc1 3115978 SWFDMJQMUABVGS-CAOOACKPSA-N 375.297 1.436 50 40 GDGB O=C(NNC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1c[nH]c2ccccc12 30600033 JBMZHSCMZGRSCG-UHFFFAOYSA-N 391.431 1.876 50 40 GDGB N#CC1=C(N)n2c(s/c(=C\c3ccsc3)c2=O)=C(C#N)[C@@H]1c1ccsc1 2259125 CQFBOWNZALIRPP-NUKWSGDCSA-N 394.506 1.984 50 40 GDGB COc1cc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc(OC)c1OC 5335042 KTLBCTBJJMFUAG-WSDLNYQXSA-N 386.408 1.264 50 40 GDGB N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccs2)c2ccccc21 6231306 BYJSPHLJYKIZNX-JWGURIENSA-N 381.417 1.259 50 40 GDGB Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CCCl 8706255 UDUPPEIIYKBYDE-UHFFFAOYSA-N 389.818 1.884 50 40 GDGB N#Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccc(B(O)O)o3)n2)cn1 585293019 BVRZVPCXNZDMDZ-QGZVFWFLSA-N 390.212 1.097 50 40 GDGB O=C(NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccccc1Br 4905133 FCFCHLRSWAYDDY-PSJXJDHFSA-N 379.210 1.733 50 40 GDGB O=S1(=O)CC[C@@H](NC(=S)OCC(Br)Br)C1 59568555 VNOKIERGOBMAPJ-RXMQYKEDSA-N 381.111 1.181 50 40 GDGB COc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1S(=O)(=O)NC1CC1 12806358 IOALQBVYFPMBJA-UHFFFAOYSA-N 391.453 1.300 50 40 GDGB Cc1cc(C)n(-c2ccc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cc2)n1 12804355 JYYQLXJUGLFTDK-KRWDZBQOSA-N 376.482 1.595 50 40 GDGB Nc1nccnc1C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 14045376 MUNLMCGJLSPLIT-UHFFFAOYSA-N 393.403 1.478 50 40 GDGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 408732078 RNXABYYZTSALLY-VIZOYTHASA-N 382.789 1.316 50 40 GDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br 5774770 ZFFVRVIYLBKLIU-LICLKQGHSA-N 396.266 1.878 50 40 GDGB O=S1(=O)C[C@@H](Cl)[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 157774140 NIGFSRWDSNYJAO-NXEZZACHSA-N 378.686 1.676 50 40 GDGB Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC(C)C)c1 6478836 SGRZZFOWTNDKON-WSDLNYQXSA-N 396.447 1.987 50 40 GDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(F)cc2)s1 32772678 BEOHOLJOQZRRFP-NSHDSACASA-N 382.438 1.750 50 40 GDGB CC(=O)N[C@H](CC(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 58244336 PHOOFYOJHCSZPD-CRAIPNDOSA-N 383.404 1.241 50 40 GDGB CNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@@H](C)C2)nc2c(C)cccn2c1=O 5023086 JYKUMLRFGBKRAV-WNMQVZLMSA-N 381.436 1.270 50 40 GDGB CC/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1 16975727 HECRDJMSNUCLLC-CAOOACKPSA-N 385.344 1.323 50 40 GDGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1Cn1cnc([N+](=O)[O-])n1 27520741 HIFZFLMQZKMVNH-DNTJNYDQSA-N 381.352 1.402 50 40 GDGB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2F)cc1 5812962 FWMYSXAVAUOKIS-UHFFFAOYSA-N 398.350 1.296 50 40 GDGB COc1cc([C@@]2(OC)OC(N)=C(C#N)C2=C(C#N)C#N)cc([N+](=O)[O-])c1OC 100261425 RVHSQHXJXDKXQZ-QGZVFWFLSA-N 383.320 1.479 50 40 GDGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 778302 CCAPNFGLWCMGGO-GXDHUFHOSA-N 385.401 1.666 50 40 GDGB CC(=O)N[C@H](C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1)C(C)C 7948853 MYIWYZAERNWXAR-INIZCTEOSA-N 392.456 1.800 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccccc1Cl 20493178 LCDPWTSSMADNBZ-VCHYOVAHSA-N 381.841 1.962 50 40 GDGB O=C1OC(=O)[C@@H]2[C@@H]1C1(Cl)C(Cl)=C(Cl)C2(Cl)[C@H]2C(=O)OC(=O)[C@@H]21 104143715 LDFYOAUEDOLDGH-NRKOYVPYSA-N 385.970 1.290 50 40 GDGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCC(N)=O 408542370 LKQBDRQLFJZQSI-AUWJEWJLSA-N 395.371 1.803 50 40 GDGB COc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409016843 WBUHBLHVNOHTJG-HYARGMPZSA-N 397.431 1.697 50 40 GDGB CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 6539541 KWGFXGUEIAMLPZ-DEDYPNTBSA-N 389.477 1.997 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)c(OC)c1 408786662 LSZSXVXREUHQNF-LICLKQGHSA-N 381.410 1.213 50 40 GDGB Nc1nccnc1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1 12780921 ZPZPHDXYNDNKNC-UHFFFAOYSA-N 377.404 1.490 50 40 GDGB CC(C)CNC(=O)[C@H]1[C@H]2O[C@@H]([C@H](Br)[C@@H]2Br)[C@@H]1C(=O)O 104381379 ZDZWEWTVAKKSLP-TYKPCOJTSA-N 399.079 1.384 50 40 GDGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccnc1)S(C)(=O)=O 20212850 RJFHLDGWOQQKMO-VXLYETTFSA-N 380.857 1.960 50 40 GDGB COc1ccc(/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1 5575823 VNDFNMZVHFKIJC-SLVCOGOPSA-N 386.429 1.475 50 40 GDGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCCOC)=C1C 4517075 NUZXDYPCECKPPL-OAQYLSRUSA-N 395.415 1.502 50 40 GDGB CCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)NCCc1ccccc1 2762833 SNEQLNRIGJXHGJ-YDZHTSKRSA-N 384.436 1.825 50 40 GDGB COC(=O)COc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1 408855238 AQWXVHDWGFSAIP-DJKKODMXSA-N 388.449 1.888 50 40 GDGB O=C(CCC(=O)NNC(=O)Cn1ccc2ccccc21)NCCc1ccccc1 199413372 YGQCIJUOLUBTRV-UHFFFAOYSA-N 392.459 1.928 50 40 GDGB O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 26530342 LGLRCNUVPUJQGK-CYBMUJFWSA-N 389.383 1.497 50 40 GDGB NNC(=O)c1nn(-c2ccc(Br)cc2)c(=O)c2c(N)scc12 5896392 NVUQUCSOXLSHSW-UHFFFAOYSA-N 380.227 1.395 50 40 GDGB C#CCN1C(=O)/C(=N/NC(=O)c2cccnc2)c2cc(Br)ccc21 13582589 APILUDOAVPNFKM-HMMYKYKNSA-N 383.205 1.958 50 40 GDGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 12878299 LEYHHYPONVWADS-UHFFFAOYSA-N 396.363 1.324 50 40 GDGB O=C(CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)NC[C@H]1CCCO1 4681204 MRVAKQAEBVMCDM-CYBMUJFWSA-N 387.358 1.542 50 40 GDGB COc1ccccc1/C=N/NC(=O)CN(c1ccccc1OC)S(C)(=O)=O 408925828 QTPGCLRCKMUYHF-XDHOZWIPSA-N 391.449 1.620 50 40 GDGB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)N2 4942669 WTFRRKKVWBZCNN-NSHDSACASA-N 388.225 1.098 50 40 GDGB O=C(COC(=O)/C=C/c1nc2ccccc2o1)NNC(=O)c1ccccc1F 12918749 AYWAEHHVIFGILR-MDZDMXLPSA-N 383.335 1.985 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1 6295755 ABMORTJRVSTXAB-ZVHZXABRSA-N 394.431 1.134 50 40 GDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)COc3cccc(C)c3)CC2=O)cc1 32765661 QFILILHAUCJSHT-HNNXBMFYSA-N 397.431 1.583 50 40 GDGB COc1cc(C(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc(OC)c1OC 1005761 DPMRZNFQMHZCNZ-RYUDHWBXSA-N 378.381 1.140 50 40 GDGB biogenic,in-vitro CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 6842325 GAAJVRJGMFKSSB-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 4525716 XVOQMAOVSIHBRJ-LPYMAVHISA-N 383.404 1.047 50 40 GDGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c(O)c([N+](=O)[O-])c1 409271530 MFBVANZVNRNWGD-CAOOACKPSA-N 390.308 1.990 50 40 GDGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCC=C)=C1C 4517102 NQJJGXNDKNNGEO-OAQYLSRUSA-N 375.384 1.489 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 409130760 NDCPCAQTKQIRQU-YBFXNURJSA-N 379.413 1.751 50 40 GDGB Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccccc3O)C2=O)c1 408536648 SIUNTIIJXQFSPF-DGURAOSJSA-N 380.360 1.315 50 40 GDGB Cc1ccccc1C(=O)NNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 33028740 RBYNDOHRVAPVKE-UHFFFAOYSA-N 392.506 1.877 50 40 GDGB O=C(COc1ccc(Br)cc1)NNC(=O)c1ccccc1C(=O)O 671663 WVCBPIODEBEJKV-UHFFFAOYSA-N 393.193 1.987 50 40 GDGB CC1(C)CC(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)CC(C)(C)N1 59488445 OEIDEZAIYVCQAV-YBFXNURJSA-N 375.429 1.470 50 40 GDGB Cc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C)o2)C=3C#N)o1 13739589 RYKJDDQQSLJQJM-BOVGMKJQSA-N 390.424 1.664 50 40 GDGB C[C@H](Oc1ccccc1)C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 32910040 KFDKKSAOOAAAKW-LBPRGKRZSA-N 387.348 1.367 50 40 GDGB CCOc1cc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)ccc1O 98087303 LVBPHRARRJMYKL-LSHDLFTRSA-N 398.419 1.429 50 40 GDGB CCCc1c(C(=O)N/N=C/c2ccc(F)cc2F)nnn1-c1nonc1N 2454428 QIPMHYGXOAZJQB-FBCYGCLPSA-N 376.327 1.227 50 40 GDGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)N1CCN(C(=O)c2ccco2)CC1 33467962 LOBDTXKGLXRCQG-GDNBJRDFSA-N 379.372 1.900 50 40 GDGB CCc1sc(C(=O)NNC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1C 12675945 GQGXFXMUGANKNU-UHFFFAOYSA-N 380.470 1.491 50 40 GDGB Cc1cc2c(c(=O)o1)[C@@H](c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 9299685 MJAQRZLYKIKREU-LBPRGKRZSA-N 386.276 1.688 50 40 GDGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccncc1)OCc1ccccc1 408991841 REUYJIZUTMSMBU-DAFNMPDCSA-N 392.419 1.793 50 40 GDGB O=C(NN/C=C1\C(=O)N(Cc2ccc(F)cc2)C(=O)N=C1O)c1ccccc1O 2593468 CDXKVUBRMBUXQT-ZROIWOOFSA-N 398.350 1.769 50 40 GDGB CC(C)Oc1ccc(C(=O)NNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 102372387 SXZUSKRONKSYFF-HZPDHXFCSA-N 385.420 1.186 50 40 GDGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Br)c1O 7813059 DYBVAAKXMCEKKI-QGMBQPNBSA-N 386.246 1.776 50 40 GDGB O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)NNC(=O)c1ccccc1 12942016 BCJXHWFYQNZJOD-FMIVXFBMSA-N 385.445 1.701 50 40 GDGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)cc1 5515477 DUBVOJXRKKBWLE-HCZVKUGISA-N 391.449 1.706 50 40 GDGB CON(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)ccc1Cl 15096798 QEULWLYLHMTILN-UHFFFAOYSA-N 397.840 1.597 50 40 GDGB CCn1ncc(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1F 252494717 OCOYJRTVPDVAGK-YAXRCOADSA-N 375.320 1.552 50 40 GDGB Cc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCN(C)CC3)c3ccccc32)cc1 20133983 ZIHNHOYPKOUPMH-ATJXCDBQSA-N 391.475 1.681 50 40 GDGB O=C(COC(=O)c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc([N+](=O)[O-])cc1 9670950 QXUWTXSLUYKZRL-UHFFFAOYSA-N 388.292 1.121 50 40 GDGB CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NNC(C)=O 23198641 XQWPHNITOWLJAE-NSHDSACASA-N 388.833 1.267 50 40 GDGB COc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1C 12853056 NVRQNKBXAZDKHI-UHFFFAOYSA-N 376.438 1.372 50 40 GDGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1ccccc1 408682620 JVSAFFAGPFRBCP-SLQSZJTJSA-N 394.221 1.739 50 40 GDGB COc1ccc(/C=N\NC(=O)c2cc[nH]n2)cc1Cn1nnc2ccccc21 33352031 RIEMXMONGMSMLJ-NHDPSOOVSA-N 375.392 1.975 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 20211953 ADQADEKPXHLDSL-YBFXNURJSA-N 379.413 1.751 50 40 GDGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cccnc1Cl 3440018 AQVYPUFTUWDRRZ-UHFFFAOYSA-N 387.871 1.708 50 40 GDGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1OCC(N)=O 6781482 GVCWPWCGGSSAOF-OAHLLOKOSA-N 397.435 1.798 50 40 GDGB O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)NNC(=O)c1ccccc1 4988150 CSPWHCPHHZQGQP-SFHVURJKSA-N 398.415 1.862 50 40 GDGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccccc3)C(=O)NC2=S)cc1 408758578 MYCAWCZZTLZAEC-UWOKGBPVSA-N 380.429 1.775 50 40 GDGB CC(C)(O)C(C)(C)OB(O)c1cc2ccc3cc(B(O)O)cc4ccc(c1)c2c34 169980497 IGNCQVHDQNNZMS-UHFFFAOYSA-N 390.053 1.517 50 40 GDGB COc1cc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc2c1OCO2 1250759 MERFWIICGLAQAY-CRAIPNDOSA-N 389.415 1.779 50 40 GDGB CN(C)N(C(=O)Cc1csc(-c2ccsc2)n1)[C@H]1CCS(=O)(=O)C1 24973977 AFERNGNKTIAYQO-ZDUSSCGKSA-N 385.536 1.906 50 40 GDGB O=C(O)COc1ccccc1/C=N\NC(=O)C(=O)Nc1ccc(Cl)cc1 223150396 JJAZNGUMBMGCCO-OCKHKDLRSA-N 375.768 1.892 50 40 GDGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)cc1OC 59459668 PKKSJDKXVPETFG-RGVLZGJSSA-N 387.392 1.810 50 40 GDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CNC(=O)Cc1cccc(F)c1 46902931 CNOCTFKPLKPNTF-LBPRGKRZSA-N 391.374 1.238 50 40 GDGB CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1 30576455 WVXPWIKHGVNISY-CHWSQXEVSA-N 381.404 1.609 50 40 GDGB COC(=O)Oc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1OC 636437 FCHCLIHJATZXLR-DJKKODMXSA-N 376.394 1.873 50 40 GDGB O=C(CCCl)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851684 WXDBCUATVJGNAU-UHFFFAOYSA-N 385.859 1.547 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)c2ccccc2[S@@](C)=O)cc1OC 32789031 MTZZCOLWUGDOSH-SANMLTNESA-N 376.434 1.906 50 40 GDGB CN(CC(F)F)C1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 72308771 KJADQPMYUQXBOS-UHFFFAOYSA-N 399.398 1.017 50 40 GDGB Cn1cccc1CC(=O)NNC(=S)NC(=O)c1ccccc1Br 3205988 DYNOWYOCMLPEHF-UHFFFAOYSA-N 395.282 1.666 50 40 GDGB COc1cc(OC)c(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)c(OC)c1 1874197 HURQGXMJQGODFZ-CAOOACKPSA-N 377.357 1.276 50 40 GDGB COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1cccnc1 2249371 VNUTXXMMIMPVFT-AWQFTUOYSA-N 391.225 1.733 50 40 GDGB COc1ccc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 13001536 HJVBHGFISODJOH-UHFFFAOYSA-N 391.453 1.133 50 40 GDGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc(OC)c1O 4501980 BYJVGLCLPGTGAR-VXLYETTFSA-N 382.380 1.213 50 40 GDGB COc1ccc(CC(=O)NNC(=O)COCC(=O)Nc2ccc(C)cc2)cc1 4700414 MXDIKWMSELNIHJ-UHFFFAOYSA-N 385.420 1.349 50 40 GDGB CC1(C)Cc2cccc(OCC(=O)NNC(=S)NC[C@@H]3CCCO3)c2O1 15899374 XJCCDRRLSNQXIS-ZDUSSCGKSA-N 379.482 1.453 50 40 GDGB CN(C)N(C(=O)COc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 8770651 FLSZNDVSDOMMRJ-SNVBAGLBSA-N 381.281 1.865 50 40 GDGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccccc1O)S(C)(=O)=O 19955315 BCSJHLQZKPPZLC-YBFXNURJSA-N 375.450 1.925 50 40 GDGB CN(C)N(C(=O)Cc1csc(-c2ccsc2)n1)[C@@H]1CCS(=O)(=O)C1 24973969 AFERNGNKTIAYQO-CYBMUJFWSA-N 385.536 1.906 50 40 GDGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 59959616 QBJLAGOQLSEBTR-CIAFOILYSA-N 388.468 1.489 50 40 GDGB COCCNC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C 408707809 MBNXWCFGQMMFBN-WSDLNYQXSA-N 398.419 1.650 50 40 GDGB O=C(Cc1nnc(NC(=O)c2nc[nH]n2)s1)N/N=C/c1ccccc1Cl 33663488 IHBPJYSIZRLLEG-UBKPWBPPSA-N 390.816 1.255 50 40 GDGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1)C(=O)N/N=C\c1cccc([N+](=O)[O-])c1 31637482 HRRIYVDFEDAVAJ-XFQWXJFMSA-N 384.308 1.103 50 40 GDGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)cc1 19954853 DONUTXPWZQMIIW-XDHOZWIPSA-N 391.449 1.707 50 40 GDGB NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 813126 KBDZUKURIBSDLE-UHFFFAOYSA-N 398.282 1.630 50 40 GDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccc(C)c2)cc1OC 6504166 MWWSBKVEAZNVES-YBFXNURJSA-N 391.449 1.441 50 40 GDGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c1O 32528775 FZVNXKVSEDZKLA-RNFPGXQISA-N 398.375 1.289 50 40 GDGB CCCOc1cccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 57987246 BNNPLHIABBYEPY-UHFFFAOYSA-N 390.465 1.843 50 40 GDGB CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O 195831479 NBMMUPUHDLZMFG-YUSALJHKSA-N 377.464 1.741 50 40 GDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cc(OC)ccc2OC)cc1 223158497 LTQJWNQEPOVPFZ-JAIQZWGSSA-N 385.376 1.579 50 40 GDGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3cccc(F)c3)C(=O)NC2=S)cc1 408753481 JAJOVBXVPRRQEZ-UNUHRMFVSA-N 398.419 1.914 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1cccc(F)c1 409123792 DVYCYVDBIFLISO-DJKKODMXSA-N 393.396 1.471 50 40 GDGB NC1=N/C(=N\NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc21 12591688 NZSKJYCWIASLGM-UHFFFAOYSA-N 397.460 1.282 50 40 GDGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccncc1)S(C)(=O)=O 20210421 YUHQZORLJHHXBI-XDHOZWIPSA-N 376.438 1.397 50 40 GDGB Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 12814275 OAYFQGFVILCENA-UHFFFAOYSA-N 378.362 1.045 50 40 GDGB O=C(CSc1nnnn1-c1ccccc1)N/N=C1\C(O)=Nc2ccccc21 6062271 LVCTZAORFYVKSO-UHFFFAOYSA-N 379.405 1.877 50 40 GDGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3ccccc3F)C(=O)NC2=S)cc1 408752944 KCZYGNWYGNWCBO-YYLUKMIBSA-N 398.419 1.914 50 40 GDGB COc1ccccc1N1C(=O)N=C(O)/C(=C/NNC(=O)c2ccncc2)C1=O 38168863 BDHHBBQXPAIUNM-BENRWUELSA-N 381.348 1.332 50 40 GDGB CNC(=S)NNC(=O)CSc1c([N+](=O)[O-])nc(C)n1Cc1ccccc1 13549217 WAVWSKVQSRGKJQ-UHFFFAOYSA-N 394.482 1.365 50 40 GDGB C/C(NNC(=O)c1ccccc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 5119824 PRALTPAMUWOBIP-DTQAZKPQSA-N 378.388 1.786 50 40 GDGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 58911664 WJHLPZHYARPOAW-LPYMAVHISA-N 386.452 1.706 50 40 GDGB C[C@@H](C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)N(c1ccccc1)S(C)(=O)=O 408908230 WDSXZPXXHCTNMS-HTMJNSLASA-N 390.421 1.900 50 40 GDGB COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409062979 DVMFBXIJXQTGHU-DJKKODMXSA-N 387.352 1.623 50 40 GDGB N#CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1Br 59246543 QCPMTLGGMKMBMQ-ZDLGFXPLSA-N 381.230 1.134 50 40 GDGB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Cl)cc1 6052018 WQPPMSOEFQVIBE-UHFFFAOYSA-N 377.740 1.866 50 40 GDGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2)cc1OC 6583073 RYSALAXQEWVAKM-WOJGMQOQSA-N 377.422 1.132 50 40 GDGB N#C/C(=C/c1ccc(O)c(I)c1)C(=O)N1CCOCC1 59186165 GZXMXHTUMIXBSM-XFFZJAGNSA-N 384.173 1.763 50 40 GDGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccn1)S(C)(=O)=O 20212673 ZHIRSQVDPSHFBF-VXLYETTFSA-N 380.857 1.960 50 40 GDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccccc2)c2ccccc21 5643713 ASTAWNJETGXCCI-GFMRDNFCSA-N 378.432 1.622 50 40 GDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 2750921 COXKREWBQDODSU-RQZCQDPDSA-N 396.812 1.677 50 40 GDGB O=C([C@H]1C[C@H](Cl)CN1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 3270732 FXKAXBGZCPULAN-GXTWGEPZSA-N 393.292 1.569 50 40 GDGB CC1(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)OCCO1 4502700 FEEOKIQUUWZJKE-KGENOOAVSA-N 389.452 1.681 50 40 GDGB Cc1ccccc1C(=O)NNC(=O)CSc1nnnn1[C@H]1C[C@H]2CC[C@@H]1C2 4624071 VOCXIHABSFEGLC-GUTXKFCHSA-N 386.481 1.896 50 40 GDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2O)c2ccccc21 5643719 KPPHUJYAXMQNON-NKFKGCMQSA-N 380.404 1.399 50 40 GDGB CCCc1c(C(=O)N/N=C(\C)c2cccc(OC)c2)nnn1-c1nonc1N 9234580 HSNMLZBQYYQESF-VXLYETTFSA-N 384.400 1.348 50 40 GDGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 3329749 BWUYBGYWRVZSTO-UHFFFAOYSA-N 387.461 1.936 50 40 GDGB CN1CCN(S(=O)(=O)C[C@]2(C)[C@H]3CC[C@@]2(C)C(=O)[C@H]3Br)CC1 100844550 IPLUOSAUUKDXNT-NZBPQXDJSA-N 393.347 1.332 50 40 GDGB CCCCCn1nc(C(=O)NNC(=O)c2ccc[nH]c2=O)c2ccccc2c1=O 12873598 XMDZFFKOGXFXCI-UHFFFAOYSA-N 395.419 1.350 50 40 GDGB CCNC(=O)NNC(=O)COc1ccc(Br)cc1Br 408568543 VAFULCZEXRSURT-UHFFFAOYSA-N 395.051 1.941 50 40 GDGB O=C(NN/C=C1\C(=O)N(CCc2ccccc2)C(=O)N=C1O)c1ccccc1 9046388 LWGQVJZKJWWSRT-SSZFMOIBSA-N 378.388 1.966 50 40 GDGB C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN(C)C)c2ccccc21)c1cccs1 100257311 GVXCRJGCWGNSHX-XCOXRBLSSA-N 399.476 1.875 50 40 GDGB COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCCN(c3cnccn3)C2)c1 29754682 LIEKZILDDCTKAT-CYBMUJFWSA-N 385.424 1.171 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)O)c1ccc(F)cc1 408773524 LOBUXAYLTFHKHY-VXLYETTFSA-N 393.396 1.440 50 40 GDGB CO[C@@H]1C[C@H](NC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H](CBr)O1 35645061 JZLAUALBZXMLIS-XGUBFFRZSA-N 386.242 1.873 50 40 GDGB in-vitro COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)/C(=N/NC(C)=O)c2ccccc21 13120369 GNUNQIQUUMPTOZ-QZMYASAMSA-N 395.371 1.760 50 40 GDGB C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 97212948 NZGSVIUALPKHDV-ZLKJLUDKSA-N 375.812 1.441 50 40 GDGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccncc1 408960643 HOOOLGHORJBJTE-YDZHTSKRSA-N 391.431 1.659 50 40 GDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H](O)c1ccccc1 408587305 FFXWJSPKNDOLKS-JZQBQCRLSA-N 384.392 1.615 50 40 GDGB CCCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21 1426771 XRCDAMKGUSIPDR-FQEVSTJZSA-N 379.372 1.261 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 101551325 VITLLAKWXNKKBP-VXGBXAGGSA-N 391.811 1.061 50 40 GDGB Cc1ccc(OCC(=O)NNC(=O)C(=O)NC(C)(C)C)c(Br)c1 3664045 IYQWEQYLQOYOJE-UHFFFAOYSA-N 386.246 1.198 50 40 GDGB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 26774219 JBMCYEQRXAUWBK-SJKOYZFVSA-N 385.468 1.938 50 40 GDGB CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc(C)cc1 12782346 SKAZKMGJUOFGHB-AWEZNQCLSA-N 375.450 1.901 50 40 GDGB Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 12853379 DZEYHNVIYITVNV-HNNXBMFYSA-N 394.431 1.520 50 40 GDGB CCOc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)cc1 5205703 PQMODXJOUNGLCE-XDHOZWIPSA-N 376.438 1.397 50 40 GDGB COc1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3)C2=O)cc1 9046713 OQMMUJZFPNENJN-PTNGSMBKSA-N 380.360 1.937 50 40 GDGB Cc1ccc(OCCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 32992664 USIPTSUFTWULAE-UHFFFAOYSA-N 380.404 1.472 50 40 GDGB Cn1c(SCC(=O)NNC(=O)Cc2ccccc2)nnc1-c1ccccc1 812975 OQBYSWWPGOFEMB-UHFFFAOYSA-N 381.461 1.964 50 40 GDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1OC 59515608 XMELRXZOHQQGJA-OEAKJJBVSA-N 398.463 1.579 50 40 GDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(F)cc1 9049786 RBUXFXXUUYAQSN-SLVCOGOPSA-N 389.408 1.517 50 40 GDGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(CC(=O)O)c2ccccc21 16741420 YZVVBAQSSORACE-OAQYLSRUSA-N 393.399 1.723 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408536122 PUHIVPULQVJCPP-XYHOIZSOSA-N 378.388 1.918 50 40 GDGB CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)CBr)cc21 5136877 JGVBOWYNMJIWBC-UHFFFAOYSA-N 383.289 1.493 50 40 GDGB O=C(NN/C=C1\C(=O)N(c2ccccc2)C(=S)N=C1O)c1ccccc1O 34236604 DQQRXNHGMSJEEE-RAXLEYEMSA-N 382.401 1.799 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1 6879466 WNWURYHJRHIUIZ-ZVHZXABRSA-N 396.447 1.358 50 40 GDGB Cc1ccc(Cl)c2c1NC(=O)/C2=N\NC(=O)c1nc2ccccc2c(=O)[nH]1 12602215 JJCBNDUXAKHPKS-UHFFFAOYSA-N 381.779 1.971 50 40 GDGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cccc(C#N)c1 12768862 QKJRHGDNOPAGOX-UHFFFAOYSA-N 383.227 1.283 50 40 GDGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4471296 ZJLFXGLVMRESMV-GNKPEBMXSA-N 386.364 1.600 50 40 GDGB COCC(=O)N1CCCc2ccc(NS(=O)(=O)CBr)cc21 21756835 IXTVYHZWTUWLAD-UHFFFAOYSA-N 377.260 1.706 50 40 GDGB CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCCN1CCOCC1 20175932 IWHTZTFGUQEZEX-HZHRSRAPSA-N 398.463 1.955 50 40 GDGB O=C(COC(=O)[C@@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccccc1 101052591 WRJMXBUVYUAIHB-BFUSDRCBSA-N 379.206 1.984 50 40 GDGB Cc1cc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)no1 102307826 UPJHRYIPLSHRDR-LLVKDONJSA-N 383.191 1.856 50 40 GDGB COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 2121836 NIWXOYHVQPOQEO-RGVLZGJSSA-N 388.380 1.786 50 40 GDGB COc1ccc(NC(=O)CSCC(=O)NNC(=O)c2ccoc2C)cc1 12852363 VVTINCOBIBVCJG-UHFFFAOYSA-N 377.422 1.730 50 40 GDGB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)C1CCCCC1 17164165 RGLFMASMOXZCBE-INIZCTEOSA-N 399.488 1.856 50 40 GDGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3cccnc3)C(=O)NC2=S)cc1 408755016 SZUZFUCFQLTQRQ-IPZKOZABSA-N 381.417 1.170 50 40 GDGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 13011925 HVNNDMQMIXTZFK-PXAZEXFGSA-N 397.884 1.629 50 40 GDGB Cc1cc(C)nc(NNC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)n1 22234785 GDBJAIVSWAKEIK-UHFFFAOYSA-N 395.460 1.777 50 40 GDGB Nc1nnc(CC(=O)N/N=C/c2ccccc2OCCBr)s1 1814730 AGSFGSAVFNRCSO-LZYBPNLTSA-N 384.259 1.587 50 40 GDGB COc1cc(/C=N/NC(=O)Cn2cc([N+](=O)[O-])cn2)cc(Br)c1O 1886977 LIPYCMYXWVFZIH-SYZQJQIISA-N 398.173 1.418 50 40 GDGB COc1cc(C(=O)NNC(=O)CN2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC 14246893 FELIRJVZNWRYFG-STQMWFEESA-N 379.457 1.451 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)cc1OC 408774378 VOXXRDZYLOKZSI-LICLKQGHSA-N 381.410 1.213 50 40 GDGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccco1 857169 VDFHCOQNGZGGDU-LLVKDONJSA-N 378.182 1.609 50 40 GDGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1OC 2216468 GKZAMKQLJBUTPD-QGZVFWFLSA-N 383.404 1.938 50 40 GDGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1cccs1 409027549 KNAGBEIPANJVGR-LFIBNONCSA-N 396.450 1.963 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1 6295750 OZVMIONLZTXBQW-ZVHZXABRSA-N 394.431 1.134 50 40 GDGB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)NNC(=O)Cc1ccccc1 873805 OXEQDWQXOVXCHF-UHFFFAOYSA-N 392.444 1.988 50 40 GDGB COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 2236574 KSIIKTHEVXESNU-KRWDZBQOSA-N 381.388 1.750 50 40 GDGB O=C(NNS(=O)(=O)c1cc(F)cc(F)c1)c1cncn1-c1ccccc1 9115989 GIZPLWOTSCXWFZ-UHFFFAOYSA-N 378.360 1.774 50 40 GDGB O=C(COc1ccccc1F)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12762867 NVSHXUIGUWVQGV-UHFFFAOYSA-N 396.378 1.322 50 40 GDGB Cc1[nH]c(N)nc(=O)c1CCCNC(=O)c1cccc(CBr)c1 17039331 JQRDUVZOMKYKJQ-UHFFFAOYSA-N 379.258 1.918 50 40 GDGB CC(=O)N[C@H](CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 58244333 PHOOFYOJHCSZPD-QAPCUYQASA-N 383.404 1.241 50 40 GDGB Cc1ccccc1C(=O)NN[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 100117100 PDJFUBLWQWVVOX-OAHLLOKOSA-N 381.388 1.333 50 40 GDGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNc2cccc(C)c2)c2ccccc21 5705379 HAQMUCMMIBMTNR-NMWGTECJSA-N 380.404 1.447 50 40 GDGB COc1cc(C(=O)NCC(=O)N/N=C/c2cccc(O)c2)cc(OC)c1OC 2691886 MSMCZJLJXJWHLU-UFFVCSGVSA-N 387.392 1.298 50 40 GDGB biogenic CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCBr 5200674 PHAKELPAQRLEBC-UHFFFAOYSA-N 399.266 1.773 50 40 GDGB COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)CC#N)sc2=O)c1 2238622 SRAYLDYWQGQZBR-UFWORHAWSA-N 392.824 1.762 50 40 GDGB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccccc3F)C2=O)cc1 32967468 BWBAXIPHNNATHO-HXUWFJFHSA-N 398.394 1.362 50 40 GDGB CC(=O)N[C@@H](CC(=O)NNC(=O)Cc1nc2ccccc2n1C)c1ccccc1 5269030 VUYSIKMFUDSMQH-KRWDZBQOSA-N 393.447 1.531 50 40 GDGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(C)=O)C2=O)cc1OC 5554922 PNHUHHRGWIAZDC-QPEQYQDCSA-N 395.462 1.072 50 40 GDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccccc2C)c2ccccc21 5791865 UDLNTVPIPXTDBZ-GFMRDNFCSA-N 394.431 1.377 50 40 GDGB CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(OC)cc3)ccc21 7060151 QZFLPMSLYAGICD-UHFFFAOYSA-N 388.449 1.997 50 40 GDGB C#CCN1C(=O)/C(=N\NC(=O)c2cncc(Br)c2)c2ccccc21 18173279 CYVQZZBDRQOPPP-HKWRFOASSA-N 383.205 1.958 50 40 GDGB CCCn1nc(C(=O)NNC(=O)c2c(C)nn(C)c2C)c2ccccc2c1=O 29705120 ADNIBQBUQTWIJO-UHFFFAOYSA-N 382.424 1.232 50 40 GDGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OC)c(OC)c2OC)cc1 211687326 CNAPYNWYOSCBPO-JAIQZWGSSA-N 387.392 1.810 50 40 GDGB COc1ccc(/C=C/C(=O)N[C@H](C(=O)OCC(=O)/C(C#N)=C(/C)N)C(C)C)cc1 104851332 ACJUEYDZYUZRNF-UCKQPSIWSA-N 399.447 1.718 50 40 GDGB O=C(N/N=C/c1c(-c2ccccc2)nc2sccn12)c1cc(=O)[nH]c(=O)[nH]1 12558507 BUGJODOSCZIFBH-GIJQJNRQSA-N 380.389 1.203 50 40 GDGB O=C(N/N=C1/C(=O)N(CO)c2ccccc21)c1cc(Br)ccc1O 100466590 YQABQTCCUQIPMY-NBVRZTHBSA-N 390.193 1.585 50 40 GDGB Cc1cc(C(=O)NNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(C)o1 9316923 DZMBAXXMQKZYOX-YPMLDQLKSA-N 376.413 1.158 50 40 GDGB O=C(CN1CCCCC1)NN[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 35682663 UZMJJFRAOSRSQK-INIZCTEOSA-N 389.500 1.136 50 40 GDGB O=C(Cc1ccc(Br)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 12932188 FFXHEWREBQDSII-HNNXBMFYSA-N 391.221 1.979 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)cc1 20060384 PCPCBDPUAQXNBX-YBFXNURJSA-N 379.413 1.751 50 40 GDGB CC(C)C[C@H](C(=O)NNC(=O)c1cccnc1)N1C(=O)c2ccccc2C1=O 97073402 ZUCBKKKFDMKTBT-MRXNPFEDSA-N 380.404 1.554 50 40 GDGB CCN1C(=O)/C(=N/NC(=O)c2cc(C)n[nH]2)c2cc(Br)ccc21 100889388 DRPJFSOSCQDNQN-CPNJWEJPSA-N 376.214 1.981 50 40 GDGB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O 408642550 OVKCUKXCBWYBMB-CYBMUJFWSA-N 398.375 1.418 50 40 GDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 101318042 YLJUXZOQFCHOPH-NOUPULOFSA-N 388.854 1.256 50 40 GDGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](O)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 255897355 KZJNKSIORXDWKH-AEVPTLBESA-N 378.421 1.241 50 40 GDGB biogenic,in-vitro O=C(NNS(=O)(=O)c1ccc(F)cc1F)c1cncn1-c1ccc(F)cc1 7050401 KGOIFSUFBUPKKC-UHFFFAOYSA-N 396.350 1.913 50 40 GDGB CNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 408849577 XLAVEILHICHVHZ-ZROIWOOFSA-N 380.404 1.804 50 40 GDGB COc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN(C)C)c2ccccc21 20215575 PHBKQVVZNCVTMN-QOCHGBHMSA-N 382.420 1.460 50 40 GDGB COc1cc(/C=N/NC(N)=O)cc(I)c1OC(C)=O 695789 IZXSGVPQSPJXRH-LHHJGKSTSA-N 377.138 1.227 50 40 GDGB Cc1n[nH]c2c1[C@H](c1ccc(OCC(=O)N3CCOCC3)cc1)C(C#N)=C(N)O2 818692 XACLIRAWCCZKGT-GOSISDBHSA-N 395.419 1.174 50 40 GDGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 857227 QPOULIBYFXOGBR-CQSZACIVSA-N 388.767 1.815 50 40 GDGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccccc2)c2ccccc21 5823077 WBMXRZTVCZNSPN-GFMRDNFCSA-N 394.431 1.457 50 40 GDGB O=C(CCn1c(=O)oc2ccccc21)NNC(=O)Cn1cnc2ccccc21 12549633 PVAOBOOLQWYXKY-UHFFFAOYSA-N 379.376 1.182 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)ccc1Cl 102203610 ZJHXZAWJJOOHEP-GREKMHCPSA-N 380.828 1.922 50 40 GDGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1ccccc1 408682614 JVSAFFAGPFRBCP-DKJTXKKOSA-N 394.221 1.739 50 40 GDGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1OC 2370407 WOBZOQIKKLZZRA-KEBDBYFISA-N 382.376 1.527 50 40 GDGB CC(C)CNC(=O)CC(=O)N/N=C/c1cc2c(cc1Br)OCO2 3089183 AAPDYHGGJOVDMY-CNHKJKLMSA-N 384.230 1.790 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2CC)cc1 8088338 AKMWKKFYAQSDJY-YDZHTSKRSA-N 396.447 1.853 50 40 GDGB Cc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 25095462 CHOXHQXYEJPUIE-UHFFFAOYSA-N 388.449 1.249 50 40 GDGB O=C(CN1CCN(c2ccc(F)cc2)CC1)N/N=C/c1ccc([N+](=O)[O-])o1 36024672 OHTMMXGSZZHVBQ-YBFXNURJSA-N 375.360 1.599 50 40 GDGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(O)c(Br)c1 59246552 DOVHGQYNMPSCDV-APSNUPSMSA-N 376.638 1.590 50 40 GDGB Nn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1ccccc1F 23078267 KIXHWNGCTWHPJS-UHFFFAOYSA-N 386.412 1.351 50 40 GDGB CC[C@H](C)N1C(=O)/C(=C/NNC(=O)c2ccccc2Cl)C(=O)NC1=S 9317974 GORVOMJQIFFZAX-OHMLCJAVSA-N 380.857 1.500 50 40 GDGB Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(C)(=O)=O)cc1 19954545 RLPYLFTXSOJELA-UHFFFAOYSA-N 386.433 1.234 50 40 GDGB COCCn1c(C)cc2c(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 2218943 QRWLUYVWSKUTCE-INIZCTEOSA-N 382.376 1.930 50 40 GDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1 6610123 XFGZIYUPTKHWDX-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cc(F)ccc1F 12683007 CVIFOKLAOKRUHB-UHFFFAOYSA-N 394.197 1.689 50 40 GDGB CN(CC(=O)NNC(=O)c1ccc(F)cc1)CC(=O)Nc1ccccc1Cl 12886333 FAFARNNULOKSAF-UHFFFAOYSA-N 392.818 1.811 50 40 GDGB C/C(N)=C(/C#N)C(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 21743267 PCCYXMDXUKAHGC-UBKUNTILSA-N 387.436 1.221 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cn1 44957419 ZPXIQPNMCQIXHW-UHFFFAOYSA-N 391.453 1.157 50 40 GDGB O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 1952733 WTNAVVPARSNILQ-LICLKQGHSA-N 383.393 1.813 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)Cc1ccccc1 6453878 LKRQYCFECPBHAA-WOJGMQOQSA-N 390.421 1.507 50 40 GDGB COc1cc(/C=N/NC(=O)CCC(=O)NN)ccc1OC(=O)c1ccc(C)cc1 27986439 CRQHRVXDKYSLSC-WSDLNYQXSA-N 398.419 1.443 50 40 GDGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1 58882128 KZELXDDPMYRKCM-WSDLNYQXSA-N 396.447 1.987 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 4502905 CZHWFVLMMWTLMF-GZTJUZNOSA-N 376.394 1.511 50 40 GDGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C=O)[C@H](OC)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 67913417 LOFBWESEBFUNJU-VMHJVYPBSA-N 392.448 1.895 50 40 GDGB biogenic,in-vitro Cc1ccc(C(=O)NNC(=O)COC(=O)/C=C/c2ccc3c(c2)OCCO3)cc1 12690941 ADVCCKUGMURTER-WEVVVXLNSA-N 396.399 1.784 50 40 GDGB Nn1c(S)nnc1NNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 16957926 ZBZKEGGVPINDJB-UHFFFAOYSA-N 396.647 1.323 50 40 GDGB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc2ccccc2n1 40049132 BIHZMNIKKAHXFQ-MRXNPFEDSA-N 390.465 1.200 50 40 GDGB Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2135539 UHMAGKOLJOLKSZ-UHFFFAOYSA-N 388.405 1.618 50 40 GDGB CCn1nc(C(=O)NNC(=O)c2n[nH]c3ccccc23)c2ccccc2c1=O 6928606 MKWCBVCVNUYBDW-UHFFFAOYSA-N 376.376 1.368 50 40 GDGB COc1cccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 18193293 NFHDFLOVEYDZPP-PZUDMAOCSA-N 396.428 1.475 50 40 GDGB COc1ccccc1/C=N\NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 16309278 NJFFSWKVZIXUAG-UNOMPAQXSA-N 375.450 1.774 50 40 GDGB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)C2CCCCC2)c1 5066233 CMADSFGJTZVZGA-UHFFFAOYSA-N 381.498 1.700 50 40 GDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1 8091889 YWHVBPCNFUVNDI-UFFVCSGVSA-N 388.811 1.554 50 40 GDGB CCCc1c(C(=O)N/N=C(\C)c2ccccc2OCC)nnn1-c1nonc1N 9308161 IARMQOURVTVTBN-RGVLZGJSSA-N 398.427 1.738 50 40 GDGB COc1ccccc1NCC(=O)NNC(=O)CCCNC(=O)c1ccsc1 32883653 DYDSQGPDINQYAE-UHFFFAOYSA-N 390.465 1.526 50 40 GDGB C[C@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 32999508 WIBDBOXECJMZJA-STQMWFEESA-N 388.399 1.951 50 40 GDGB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/NNC(=O)c1ccncc1 4855132 OJFFOPQHFWMUAN-UKTHLTGXSA-N 385.767 1.136 50 40 GDGB CN(NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21 1461756 LNPLOYIULHRVBA-ZDUSSCGKSA-N 398.444 1.152 50 40 GDGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1 12362333 OGVYBUWCMXGSNW-YDZHTSKRSA-N 398.419 1.694 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408537368 VNLYQISRZILDHJ-UQNJQPHCSA-N 382.420 1.594 50 40 GDGB COc1ccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C3c4ccccc4N=CN32)cc1 9576692 BMGNNZUCWKZSEV-CBVHTYNASA-N 390.403 1.371 50 40 GDGB COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(C(C)C)c3ccccc32)cc1 18164319 GGDRBTBBPISRGN-CLCOLTQESA-N 394.431 1.701 50 40 GDGB CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 503949925 RSRNJGQXENBJIJ-CXLDFUHJSA-N 376.409 1.533 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2)cc1 16321305 NDIXWEHGIDVCIT-XDHOZWIPSA-N 388.449 1.416 50 40 GDGB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1ccncc1 9482003 VQZICSJFHPXENX-AQTBWJFISA-N 393.403 1.556 50 40 GDGB NC(=O)N/N=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 13116913 BXXXGMMSFJYEFN-KEBDBYFISA-N 386.393 1.540 50 40 GDGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc(O)cc1 13524283 ABVOFARNOYTFSU-LEBHLANCSA-N 382.401 1.172 50 40 GDGB CN(C)c1ccc(/C=N/NC(=O)CSc2nnnn2-c2ccccc2)cc1 1501810 NJNWBPARFPYEQA-XDHOZWIPSA-N 381.465 1.971 50 40 GDGB CC1(C)[C@H](CSS(C)(=O)=O)[C@@H](CSS(C)(=O)=O)C(C)(C)N1O 2525856 UFKKQFGMIKQTFD-NXEZZACHSA-N 391.602 1.866 50 40 GDGB in-vitro COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)c1 12921753 SMDZSPRUEOGCHK-UHFFFAOYSA-N 382.463 1.877 50 40 GDGB Cc1cc(C)nc(NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)n1 29065759 KORHSRYQRGWPGI-UHFFFAOYSA-N 377.470 1.522 50 40 GDGB N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)N1CCOCC1 408849278 YYXZSWFEVVIBOA-XFXZXTDPSA-N 396.241 1.644 50 40 GDGB Cc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 100134680 RSWGQBKTFXSZPN-PZUDMAOCSA-N 380.429 1.775 50 40 GDGB O=C(CCc1ccccc1)NCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 8838247 RORQKSVFFXHJMF-UHFFFAOYSA-N 395.375 1.116 50 40 GDGB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1cccs1 9911134 HFAKZJXYIQEHCT-ZKQHCESOSA-N 379.463 1.488 50 40 GDGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1OC 3039424 QYNZNAFLRZIXLD-QGMBQPNBSA-N 376.325 1.085 50 40 GDGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)C[C@@H]1SC(=O)NC1=O 15056979 NHNDWXGJSWJPSK-VIFPVBQESA-N 392.220 1.261 50 40 GDGB Cc1ccc(SCC(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 6627549 AWRUVEZGRQTYGB-UHFFFAOYSA-N 378.475 1.952 50 40 GDGB CN(C)c1cccc(OCC(=O)N/N=C\c2cn(CC(N)=O)c3ccccc23)c1 33631535 ZQRXEXPBHZBATN-KSEXSDGBSA-N 393.447 1.722 50 40 GDGB COc1cc(C(=O)Nc2ccccc2C(=O)NNC(C)=O)cc(OC)c1OC 408996765 JXDJBOXNIGJJGF-UHFFFAOYSA-N 387.392 1.746 50 40 GDGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc(Cl)cc1Cl 409376873 DQTUMPBUIXXHJO-YMEQNVIZSA-N 385.203 1.799 50 40 GDGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)c1 20060268 ZHOLJHAYMYIVNK-WOJGMQOQSA-N 390.421 1.820 50 40 GDGB CO[C@H]1[C@@H](C2C(C#N)=C(N)SC(N)=C2C#N)O[C@H]2OC3(CCCCC3)O[C@@H]21 20840674 VQNWGPRGHHAATM-OEUWWYETSA-N 390.465 1.553 50 40 GDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(F)(F)c2ccccc2)c1 40115833 WSGYJBZOFQRIHP-UHFFFAOYSA-N 397.403 1.490 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 6497028 KGCDQSXGZUHOPM-FSJBWODESA-N 396.447 1.907 50 40 GDGB CCCc1c(C(=O)N/N=C(\C)c2ccccc2OC)nnn1-c1nonc1N 9234348 FYSGEIJGBFCXHX-VXLYETTFSA-N 384.400 1.348 50 40 GDGB COCCNC(=O)/C(C#N)=C/c1c(N2CCCCC2)nc2c(C)cccn2c1=O 2198172 CKFLKFZBMXSJMT-DTQAZKPQSA-N 395.463 1.663 50 40 GDGB O=C(NC(=S)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1cccnc1 6565607 GNMIMAXSLQFPDK-UHFFFAOYSA-N 384.396 1.560 50 40 GDGB COCc1[nH]nc2c1[C@H](c1cc(OC)c3c(c1OC)OCO3)C(C#N)=C(N)O2 15106055 ZEXGZTUJJBIDIC-GFCCVEGCSA-N 386.364 1.520 50 40 GDGB CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 4859829 OQWJVPOFZHWBMP-FMIVXFBMSA-N 398.341 1.983 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(O)cc2)cc1 6544440 KKQJXWXVJYRQRB-WOJGMQOQSA-N 377.422 1.172 50 40 GDGB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1 13294887 LGWITLLDMQCRRN-LBPRGKRZSA-N 391.472 1.697 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)cc1Cl 20213225 BCMMBMGBBMGKBX-VXLYETTFSA-N 396.856 1.660 50 40 GDGB CO[C@H]1[C@H](C2C(C#N)=C(N)SC(N)=C2C#N)O[C@H]2OC3(CCCCC3)O[C@@H]21 35937922 VQNWGPRGHHAATM-ZJOBFFGXSA-N 390.465 1.553 50 40 GDGB CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)NN)c(N)c23)CO1 903730 DIOMRFQRWXBPIK-UHFFFAOYSA-N 377.470 1.170 50 40 GDGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1O 3102440 ISJFKEFBDUYUNJ-CAOOACKPSA-N 390.308 1.746 50 40 GDGB CC(=O)N[C@@H](CCCNC(=O)N(CCCl)N=O)C(=O)NCc1ccccc1 5663034 NYLLPNYPEUPHGG-HNNXBMFYSA-N 397.863 1.520 50 40 GDGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccs2)c1 16187535 HBIIMQGNKRHBNJ-YVLHZVERSA-N 397.478 1.536 50 40 GDGB O=C(Cn1cccc(C(F)(F)F)c1=O)NNC(=O)c1cc2c(s1)CCC2 25092407 HTAOAADHHNWIKX-UHFFFAOYSA-N 385.367 1.879 50 40 GDGB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccccc3F)C2=O)cc1 32967470 BWBAXIPHNNATHO-FQEVSTJZSA-N 398.394 1.362 50 40 GDGB C[C@@H]1CCC[C@@H](OCC(=O)N2CCN(S(=O)(=O)CBr)CC2)C1 95464992 UGZWUSAYBUGEFO-CHWSQXEVSA-N 397.335 1.408 50 40 GDGB COc1cc(C(=O)NNC(=O)NNC(=O)c2ccccc2)ccc1OC(C)C 102812890 OYZAUMGPHYFQGJ-UHFFFAOYSA-N 386.408 1.771 50 40 GDGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(O)c2)s1 408731121 KQTFFUOERDZTPV-RQZCQDPDSA-N 377.426 1.771 50 40 GDGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1)NCc1ccccc1 409256710 PAMKBWSZWKTQMQ-YDZHTSKRSA-N 394.431 1.111 50 40 GDGB CC(C)CNC(=S)N(C)NC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 12597742 KWGLLMXGTBFOPW-UHFFFAOYSA-N 395.485 1.539 50 40 GDGB COc1cccc(/C=C/C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1OC 12781567 FWJSFNNSCVHONK-SXSDINLZSA-N 384.388 1.704 50 40 GDGB O=C(COc1ccccc1)NNC(=O)CSc1nnc(Cc2ccccc2)[nH]1 7604890 MSYRBVVYCNEZAA-UHFFFAOYSA-N 397.460 1.714 50 40 GDGB O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(=O)n(CCOc2ccccc2)n1 14167421 XKAVBOTWKVFDFN-UHFFFAOYSA-N 395.375 1.987 50 40 GDGB CCNC(=O)/C(C#N)=C\N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 36589866 WCGCOIXNUNCODR-GIEGDRKTSA-N 390.490 1.305 50 40 GDGB CCCn1c(=O)n(CCC(=O)NNC(=O)Cc2ccccc2)c2ccccc21 12944207 AJNUCCRYNBJLKF-UHFFFAOYSA-N 380.448 1.993 50 40 GDGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc[nH]c1=O 12984758 NWLVNLMURLJKKR-VIFPVBQESA-N 380.198 1.366 50 40 GDGB Cc1cc(C)nc(NNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)n1 14514668 HVKHQWHTRVMCCL-UHFFFAOYSA-N 375.454 1.599 50 40 GDGB Cc1cccc(N2C(=O)/C(=C\NNC(=O)c3ccncc3)C(O)=NC2=S)c1 34237658 LVQRAJXNCQIABC-UVTDQMKNSA-N 381.417 1.797 50 40 GDGB CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1C 15793240 CJUFDPNHTNVZOS-UHFFFAOYSA-N 389.408 1.900 50 40 GDGB COc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c1 3081741 HOCNREUXOKVVLB-UFFVCSGVSA-N 387.392 1.298 50 40 GDGB biogenic COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)c(OC)c1 9742719 XEFUZKQYGXWELR-KRWDZBQOSA-N 383.404 1.384 50 40 GDGB COc1ccccc1C(=O)NCC(=O)N/N=C1\C(=O)N(C(C)C)c2ccccc21 102634516 ROQAMKRFCMOVHE-CLCOLTQESA-N 394.431 1.701 50 40 GDGB COCCCNC(=O)CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914838 ILLSIFIDAIWIFM-UDWIEESQSA-N 388.380 1.848 50 40 GDGB CCOc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101309279 YECSZCBMDAHJOD-YXEAAEFPSA-N 388.898 1.926 50 40 GDGB C#CCN1C(=O)/C(=N/NC(=O)c2ccncc2)c2cc(Br)ccc21 13563281 QDGNSTFRHOWGEN-HMMYKYKNSA-N 383.205 1.958 50 40 GDGB NC(=O)COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 408760942 BDLYZRRJJQLPTH-AWQFTUOYSA-N 383.433 1.669 50 40 GDGB CCCC/C(C)=N/NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 16637440 ZZTSNFQXRKDIOV-CPNJWEJPSA-N 382.486 1.948 50 40 GDGB O=C(NN[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)c1ccncc1 100097054 PKNWFTRXFUVBAI-ZDUSSCGKSA-N 379.203 1.955 50 40 GDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(=O)OC)cc2)cc1 59434173 GIEGHKKBYKWJOI-CIAFOILYSA-N 397.387 1.739 50 40 GDGB O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/NNC(=O)c1ccccc1 13125669 JISONOQMLPPUCC-FOWTUZBSSA-N 396.378 1.265 50 40 GDGB Cn1cc(C(=O)NP(=O)(N2CCOCC2)N2CCOCC2)c2ccccc21 17595851 CPHYXLGZOARWID-UHFFFAOYSA-N 392.396 1.681 50 40 GDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(N2CCCC2=O)cc1 15795453 XRYVIDHJUPPQSJ-KRWDZBQOSA-N 381.388 1.414 50 40 GDGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc(Br)cc1 409377841 LKXHRZSHWOLMNC-QHSOUUPTSA-N 395.209 1.254 50 40 GDGB CCOc1cccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1O 409126425 OAMVLGSEXUZHRZ-XDHOZWIPSA-N 391.449 1.951 50 40 GDGB O=C(NN=Cc1ccc(O)c([N+](=O)[O-])c1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 12428475 CJHKVYQKSCHSAG-UZFDIJBFSA-N 388.296 1.581 50 40 GDGB COCCNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 5007952 GFLBGAPZBGIWIZ-KAMYIIQDSA-N 389.433 1.428 50 40 GDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1C#N 16267842 WGPDYPZXLACCHF-DNTJNYDQSA-N 399.363 1.551 50 40 GDGB CCOC(=O)CS[C@H]1NC(Cl)=C(C#N)[C@@](C#N)(C(N)=O)C1(CC)CC 22172483 SRVUTYKQMBPSJG-ZBFHGGJFSA-N 384.889 1.988 50 40 GDGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCC(=O)O 59334408 OMMYHAVTEDWFCC-WMZJFQQLSA-N 383.198 1.916 50 40 GDGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccn2)S(C)(=O)=O)cc1 408921910 LGVZHPKFTWJSTO-ZXOFLVKFSA-N 390.465 1.785 50 40 GDGB O=C(O)c1ccc(NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)cc1 102539338 GLGYQBLEXPNSGK-NGFXDRFKSA-N 380.194 1.894 50 40 GDGB O=C(Cc1ccccc1)NCC(=O)NNC(=O)CSc1ccc(Cl)cc1 6602063 NIPFBSPIBZDSES-UHFFFAOYSA-N 391.880 1.938 50 40 GDGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2N)CC1 409008485 WZOVDVXCLSOXBG-FYJGNVAPSA-N 382.424 1.693 50 40 GDGB O=C(N/N=C/c1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1470066 WYSMWWKRKRBACK-SFQUDFHCSA-N 379.463 1.533 50 40 GDGB CN(C)c1cccc(C(=O)NNC(=O)Cc2csc(NC(=O)C3CC3)n2)c1 12545738 AHUTUQIEDYMIRV-UHFFFAOYSA-N 387.465 1.561 50 40 GDGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 12791361 WZUPAZNQANJJNR-UHFFFAOYSA-N 380.447 1.647 50 40 GDGB NS(=O)(=O)c1cc(C(=O)NNC(=O)CCOc2ccccc2)ccc1Cl 13011356 DWUVGCTVWKDNHT-UHFFFAOYSA-N 397.840 1.218 50 40 GDGB O=C(COc1ccccc1)NCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 7948286 IJKSUDPNZSXYOH-UHFFFAOYSA-N 393.403 1.033 50 40 GDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCc1ccccc1 408718429 NSPZXWPXHODIRM-OEAKJJBVSA-N 399.447 1.877 50 40 GDGB COc1ccc(OCCNC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1 36625113 WBFMDWWQWBOHPO-UHFFFAOYSA-N 379.438 1.575 50 40 GDGB CCOC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@@H](C)C2)nc2ccccn2c1=O 5022037 PLZXBCNWZIKTSC-CAMKDYJDSA-N 382.420 1.778 50 40 GDGB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 8375464 ZBGUTTTWVAEYHP-SNVBAGLBSA-N 379.203 1.609 50 40 GDGB CO[C@@H]1C[C@H](NC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@H](CBr)O1 90627608 JZLAUALBZXMLIS-ZQDZILKHSA-N 386.242 1.873 50 40 GDGB CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 409379328 WERPIKIYNRZMTJ-SDADXPQNSA-N 385.420 1.565 50 40 GDGB O=C(N/N=C1\C(=O)Nc2ccccc21)C(=O)Nc1ccc(Br)cc1 2072396 RSFWWIONITYRRW-UHFFFAOYSA-N 387.193 1.860 50 40 GDGB C[C@]1(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1(Cl)Cl 10863767 PBNVDIBHUHDECJ-CYBMUJFWSA-N 390.179 1.483 50 40 GDGB O=C(CN1CCN(c2ccccc2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 16445836 KCMWSWFLBHIDTN-UHFFFAOYSA-N 383.408 1.178 50 40 GDGB COc1cc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)ccc1O 19682614 UPWHEKCLZWPINU-OEAKJJBVSA-N 396.491 1.977 50 40 GDGB Cc1ccccc1OCC(=O)NNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 1801235 HWDPIUHOZBGFIP-CYBMUJFWSA-N 381.388 1.206 50 40 GDGB O=C(CCc1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 13004250 BUBIPGCISKYMBR-UHFFFAOYSA-N 391.449 1.458 50 40 GDGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1F 7238927 ASYFCNSIGZIRQQ-UHFFFAOYSA-N 388.355 1.645 50 40 GDGB O=C(C[C@H]1CCN(Cc2ccccc2)C1)NNC(=O)[C@@H]1COc2ccccc2O1 72306855 ZZJIYQNYURBGAH-XLIONFOSSA-N 395.459 1.886 50 40 GDGB COc1ccc2[nH]c(=O)c(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc2c1 32937152 KIFHRZRYVVTMIY-UHFFFAOYSA-N 382.332 1.520 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccccc1 33404479 YLUZMASPYCJRJR-UNOMPAQXSA-N 375.450 1.774 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)c1ccc([N+](=O)[O-])cc1 13345306 NWJURFOPAXUAFU-UHFFFAOYSA-N 399.768 1.570 50 40 GDGB COc1cc([C@]2(OC)OC(N)=C(C#N)C2=C(C#N)C#N)cc([N+](=O)[O-])c1OC 100261430 RVHSQHXJXDKXQZ-KRWDZBQOSA-N 383.320 1.479 50 40 GDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)OC)cc1 58882043 UYKBAQNYFKBFPO-CIAFOILYSA-N 399.403 1.726 50 40 GDGB Cc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1F 101314816 BBQLNZSNZHVIJU-LWPKIGSASA-N 376.862 1.974 50 40 GDGB O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(Br)cc1 409381474 HCWFYCLQARCMQW-YRRQLQLVSA-N 379.210 1.733 50 40 GDGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(N)=O 83292776 DIQUNXKIHVECGJ-JMIUGGIZSA-N 386.364 1.622 50 40 GDGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1 38160404 BUCOHPBZUXXHLC-CAOOACKPSA-N 387.308 1.931 50 40 GDGB COc1ccc(C(=O)NNC(=O)COC(=O)c2sccc2C)cc1OC 10647359 JXODPMDHCQMTMN-UHFFFAOYSA-N 378.406 1.692 50 40 GDGB O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)c1cc(Br)c[nH]1 23914491 NDNCQMSTBRQZJF-UHFFFAOYSA-N 380.198 1.552 50 40 GDGB COc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc1[N+](=O)[O-] 1106603 QHNGSFJOCBMASD-VCHYOVAHSA-N 381.352 1.407 50 40 GDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(N2CCOCC2)cc1 6287229 JOOJEPXGSNIZTO-KGENOOAVSA-N 391.435 1.327 50 40 GDGB O=C(NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccncc1 6505428 VTXRYPWPCZQSFE-UHFFFAOYSA-N 379.785 1.593 50 40 GDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OC)c(O)c2)c1C#N 17355360 LSHQXYMXKKSCIX-ZVBGSRNCSA-N 384.392 1.651 50 40 GDGB C[C@@H](Oc1ccccc1F)C(=O)NNS(=O)(=O)c1ccc2c(c1)OCCO2 7383618 HVBSDZQONFUMDP-LLVKDONJSA-N 396.396 1.374 50 40 GDGB O=C(COC(=O)CCC(=O)NC1CCCCC1)NNC(=O)c1ccccc1 408644791 HKPKUIYKTSJOIB-UHFFFAOYSA-N 375.425 1.220 50 40 GDGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OCC)c1OCC 408993060 BSJXRINSDCJHIM-STZFKDTASA-N 375.469 1.995 50 40 GDGB CN1C(=O)/C(=C/NNC(=O)c2ccccc2O)C(=O)N(c2ccccc2)C1=S 34236455 JOTHQYFNPUSSHU-KAMYIIQDSA-N 396.428 1.301 50 40 GDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(O)c1 103516243 ONWSPBLCQNZONI-BPKVKKHESA-N 387.417 1.084 50 40 GDGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)[C@@H]1COc2ccccc2O1 2285564 CAXCRTKSUNICJW-LGWXCPLXSA-N 392.415 1.883 50 40 GDGB CCCCn1nc(C(=O)NNS(=O)(=O)CCCC)c2ccccc2c1=O 2638656 QDYLUHPTJDVNSO-UHFFFAOYSA-N 380.470 1.561 50 40 GDGB N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccccc2)c2ccccc21 6104176 WJNUMZGLEQLLAD-QQTULTPQSA-N 389.415 1.126 50 40 GDGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1OC 409306334 ZNRBMCGDRRWQKM-UUYOSTAYSA-N 383.404 1.888 50 40 GDGB COc1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 4895499 SCZDMRDZNBMDEZ-UHFFFAOYSA-N 382.464 1.669 50 40 GDGB C=CCNC(=S)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 3133773 WPRCJRKQJRLRHC-UHFFFAOYSA-N 376.869 1.845 50 40 GDGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=N/Nc1ccc(Cl)c(C(=O)O)c1 100487591 DSVQGLMTNKNGHP-KGENOOAVSA-N 390.783 1.397 50 40 GDGB O=C(CSc1nc2ccccc2s1)NNC(=O)C[C@@H]1SC(=O)NC1=O 2200182 DVCGQNQJDBSZKO-VIFPVBQESA-N 396.475 1.278 50 40 GDGB COc1cccc(Nc2nnc(SCC(=O)NNC(=O)C3CC3)s2)c1 5699310 AIUHLTAAVOBQCU-UHFFFAOYSA-N 379.467 1.940 50 40 GDGB O=C(COc1cc(Cl)ccc1Cl)NNC(=O)C[C@H]1CCS(=O)(=O)C1 7128077 WDQUGDQTFMDLBR-SECBINFHSA-N 395.264 1.344 50 40 GDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OC)c(OC)c2)c1C#N 17355361 LQXJYOXFYOVDDX-LSHDLFTRSA-N 398.419 1.954 50 40 GDGB COc1ccnc(NNC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 40153976 RXBWRJQCNAYNPK-CQSZACIVSA-N 387.415 1.549 50 40 GDGB C[C@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)COc1ccc(Br)cc1 6640252 YBRRKUOEFSLAHC-CABZTGNLSA-N 385.214 1.175 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 8369144 DYIGPVDHNWBGIA-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB CCOc1ccccc1C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 12911054 MPVWSEDQKYLQHL-UHFFFAOYSA-N 380.404 1.890 50 40 GDGB CC(C)CNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC(C)C)cc1 83261006 POTDUNBEMLKPHV-NHDPSOOVSA-N 376.457 1.202 50 40 GDGB CN1CCN(S(=O)(=O)C[C@]2(C)[C@H]3CC[C@@]2(C)C(=O)[C@@H]3Br)CC1 102138337 IPLUOSAUUKDXNT-MYZSUADSSA-N 393.347 1.332 50 40 GDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1 5774752 JJWRPPVKTANVHT-LICLKQGHSA-N 396.266 1.878 50 40 GDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1 6868097 KDQBRJKASADFGI-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(OC)c1 19953910 ZPSZQRFBIAMQAM-XDHOZWIPSA-N 391.449 1.620 50 40 GDGB CC(=O)N[C@H](C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1)C(C)C 23692648 VDDZNIYEDIGQPG-AWEZNQCLSA-N 375.347 1.392 50 40 GDGB Cc1cccc(C)c1OCC(=O)NNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 32999567 HWZAXEYICDAGET-ACJLOTCBSA-N 377.466 1.284 50 40 GDGB CC(=O)N[C@@H](C(=O)O)C(C)(C)SSC(C)(C)[C@H](NC(C)=O)C(=O)O 95908986 TYARMXWNXXYBMN-AOOOYVTPSA-N 380.488 1.104 50 40 GDGB Cn1c(=O)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(O)c2ccccc21 100551316 FOQFLWLHAWAGKH-UHFFFAOYSA-N 382.332 1.227 50 40 GDGB Cc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1Cl 408877473 WCEXOSYQZWWTFD-VXLYETTFSA-N 380.857 1.960 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 409124609 IHXSAKOJDNUYDW-VCHYOVAHSA-N 394.384 1.650 50 40 GDGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 4427812 YVMQPWTYVIUFIU-INIZCTEOSA-N 384.392 1.751 50 40 GDGB Cc1cc2ccccc2n1CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 7775158 WVFSMDQMNYSSRB-UHFFFAOYSA-N 375.388 1.647 50 40 GDGB Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 101177165 NILKHZIMUXBDJQ-HNNXBMFYSA-N 382.376 1.778 50 40 GDGB CC1(C)[C@]2(C(=O)NCCN)CC[C@]1(CBr)C(=O)[C@H]2Br 103707961 NAUZHLKPFNYNAP-OXHMUOHRSA-N 396.123 1.595 50 40 GDGB C=CCC1=CC=C/C(=C\NNC(=O)CN2CCN(Cc3ccccc3)CC2)C1=O 136126916 XSGXRYNZNGUGEJ-LTGZKZEYSA-N 392.503 1.950 50 40 GDGB in-vitro N#C/C(=C/c1ccc(OCC(N)=O)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408905029 SDOFBPPYPGLADP-VOMDOMKGSA-N 386.415 1.758 50 40 GDGB Cc1ccc(/C=N/NC(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 2211377 SYHVMXXXUARYIA-RGVLZGJSSA-N 381.392 1.475 50 40 GDGB CCOc1ccccc1/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1C(C)C 9459815 YZHDQAZJLHIWPX-RGVLZGJSSA-N 398.427 1.909 50 40 GDGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 12800521 RGTPVEWRCJGPIT-UHFFFAOYSA-N 396.856 1.717 50 40 GDGB COc1ccc(-n2nc(C(=O)N/N=C\c3ccncc3)c(C)c(C#N)c2=O)cc1 28630175 FSIUNVARFVJMRI-FMCGGJTJSA-N 388.387 1.580 50 40 GDGB CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 503949923 RSRNJGQXENBJIJ-BWHXBOFGSA-N 376.409 1.533 50 40 GDGB C[C@H](C(=O)N/N=C1\C(=O)N(C)c2ccccc21)n1cnc2ccccc2c1=O 5487323 FSSYULBAEKQPCQ-BYSURXLHSA-N 375.388 1.454 50 40 GDGB COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 8245087 IFBNOZWWIXRUBC-JTQLQIEISA-N 377.328 1.971 50 40 GDGB Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@@H](c1cccnc1)C(C#N)=C(N)O2 20504019 USFYUTUJYNBNAS-SFHVURJKSA-N 393.447 1.102 50 40 GDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 101318043 YLJUXZOQFCHOPH-MMFHZKGPSA-N 388.854 1.256 50 40 GDGB Cc1ccc2c(c1)C(=O)N(CCCC(=O)NNC(=O)Cc1ccccc1)C2=O 12937271 KHKOBETWFCWIOQ-UHFFFAOYSA-N 379.416 1.761 50 40 GDGB COc1cccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1O 408908212 VQCBOAFPTSFBQB-KZKLBEMASA-N 391.449 1.706 50 40 GDGB COc1cccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1OC 33858021 NJNWVHLAKZXVMX-UNOMPAQXSA-N 397.497 1.748 50 40 GDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(OC)c2OC)cc1 223158338 MYZCXVMFNYEMQA-JAIQZWGSSA-N 385.376 1.579 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1 6430350 HPKSEUZWAOYCAA-LPYMAVHISA-N 382.420 1.680 50 40 GDGB CCCn1nc(C(=O)NNS(=O)(=O)c2cccs2)c2ccccc2c1=O 7380627 YMXWEPXPGZJICA-UHFFFAOYSA-N 392.462 1.491 50 40 GDGB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 104002644 PEPZGMDHFUBXDW-YDHLFZDLSA-N 380.448 1.930 50 40 GDGB O=C(CCC(=O)Nc1ccccc1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1895024 RCICRGQUFFWLGT-UHFFFAOYSA-N 392.393 1.323 50 40 GDGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 12918977 QJVJDZIGMNXFDL-UHFFFAOYSA-N 394.405 1.098 50 40 GDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2cccc(F)c2)cc1 6560564 HLRUMJDNNHDAGL-UHFFFAOYSA-N 393.440 1.145 50 40 GDGB COc1ccc2c(c1)/C(=N\NC(=O)c1nn(C)c(=O)c3ccccc13)C(O)=N2 8511854 IKFLDMIYAMZGLE-UHFFFAOYSA-N 377.360 1.678 50 40 GDGB CCOC(=O)[C@H]1[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N[C@@]1(C)NC2=C(C#N)C#N 100253712 ZSXYJYXZWGNNMC-BIZBXSGISA-N 393.447 1.382 50 40 GDGB C[C@@]1(NC(=S)OCC(Br)Br)CCS(=O)(=O)C1 59568558 WEALIYCQKVZTSY-MRVPVSSYSA-N 395.138 1.571 50 40 GDGB C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)C(C#N)=C1Nc3ccccc3N1)CS2 6511862 LNXBQQFJONFMLZ-KUHUBIRLSA-N 398.444 1.825 50 40 GDGB O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br)c1ccccc1 8475305 WRJMXBUVYUAIHB-YQBXUVTMSA-N 379.206 1.984 50 40 GDGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1O)S(C)(=O)=O 408782844 KDVZRCRPDGCYRF-XDHOZWIPSA-N 391.449 1.707 50 40 GDGB COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 5720450 URBYGGPQFOQXQR-AWEZNQCLSA-N 383.404 1.518 50 40 GDGB COc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccccc2)c(OC)c1 3485593 XGYHSFVUTGNMQQ-PKNBQFBNSA-N 384.388 1.721 50 40 GDGB CC(C)c1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnn1-c1nonc1N 1893597 UTWYEJOEXDHDDE-REZTVBANSA-N 385.344 1.028 50 40 GDGB CCCOCC[C@H](CCl)OC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 59568391 YGHFYZCFORVIPI-OUAUKWLOSA-N 378.343 1.706 50 40 GDGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 4091321 RXWHQRAWPHJTEQ-SRZZPIQSSA-N 376.844 1.960 50 40 GDGB Cn1cc(S(=O)(=O)NNC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)cn1 71288207 QXORSOUYDCINKP-UHFFFAOYSA-N 378.454 1.076 50 40 GDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1 16309284 BTTAVFHKGBYRKZ-WQRHYEAKSA-N 390.421 1.674 50 40 GDGB CC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1ccco1 14182850 ABKNKLXSMNXSJP-YBHKSSGVSA-N 391.449 1.656 50 40 GDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(OC)cc2)c2ccccc21 5643716 LZMWMLOMHKITRD-CLCOLTQESA-N 394.431 1.702 50 40 GDGB O=C1N=C(O)N(Cc2ccc(F)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1 17206402 LIFHTQYTRMQALK-GDNBJRDFSA-N 382.351 1.427 50 40 GDGB CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C\Nc1cccc(O)c1 8992675 WLEJUOGXGQMOTH-AQTBWJFISA-N 394.431 1.909 50 40 GDGB N#C/C(=C\c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1cccnc1 409150204 AUZQWZUVHOBRED-SFQUDFHCSA-N 392.415 1.865 50 40 GDGB O=C(NNC(=O)[C@H]1CC1(Cl)Cl)c1ccc2c(=O)n3c(nc2c1)CCC3 40160287 ZSKIFQNRCJJZSC-SNVBAGLBSA-N 381.219 1.298 50 40 GDGB CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1C 17059484 ZAQUWFJDDHWJBI-UHFFFAOYSA-N 389.408 1.900 50 40 GDGB C[C@H](NC(=S)NNC(=O)Cn1ncc2ccccc2c1=O)c1ccc(F)cc1 4593390 NSYQUPYIRFWYMH-LBPRGKRZSA-N 399.451 1.792 50 40 GDGB C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)C(=O)Nc1ccccn1 100090534 LOQCIPLBZQWEQU-FSJBWODESA-N 387.827 1.872 50 40 GDGB O=C(NCc1ccc(F)cc1)NNC(=O)c1csc(N2CCOCC2)n1 31026487 JMSHPMZPNSMNQA-UHFFFAOYSA-N 379.417 1.263 50 40 GDGB CCCc1nn(C)c2c1[C@@H](c1ccc(OCC(N)=O)c(OC)c1)C(C#N)=C(N)O2 4957559 MKOBUPGOBQUPRR-KRWDZBQOSA-N 397.435 1.463 50 40 GDGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(=O)OC 5408531 JTNVQXVDPGMDFE-KRWDZBQOSA-N 384.392 1.887 50 40 GDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(C)cc2)CC1 59434021 CRCJPUDTHPLIRO-PXLXIMEGSA-N 380.448 1.803 50 40 GDGB O=C(NNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccccc1 408686526 RPLPZLHOIGQMSK-GRRRKWKPSA-N 379.210 1.019 50 40 GDGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2F)c2ccccc21 5563667 AGHMFGKUCSADIL-MOHJPFBDSA-N 382.395 1.831 50 40 GDGB Cc1csc(=O)n1CC(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1 13020950 BRCNLWBDJIEWHM-UHFFFAOYSA-N 395.384 1.247 50 40 GDGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC)cc2)cc1 6963060 IFFAKCWZNVPSCW-WSDLNYQXSA-N 398.419 1.299 50 40 GDGB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2ccc(C)cc2)n1 27995523 WCAZDPZAICWKBS-UHFFFAOYSA-N 396.856 1.697 50 40 GDGB CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 2273448 FCECMAGIOWWGOO-FQEVSTJZSA-N 397.387 1.371 50 40 GDGB Cc1csc(=O)n1CC(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2 12934801 ZOQHOSDWIYLCJP-UHFFFAOYSA-N 381.479 1.107 50 40 GDGB CCCc1c(C(=O)N/N=C(\C)c2ccc(OCC)cc2)nnn1-c1nonc1N 9307585 OJNHAJZCJOEDEC-RGVLZGJSSA-N 398.427 1.738 50 40 GDGB O=C(/C=C/c1ccccc1)NCC(=O)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 4751075 ICEZVEBFXRFZAB-RMKNXTFCSA-N 393.359 1.197 50 40 GDGB O=C(CCN1CCN(Cc2ccc3c(c2)OCO3)CC1)N/N=C/c1cccnc1 22030472 ANHQZIPQJWJQBE-OEAKJJBVSA-N 395.463 1.468 50 40 GDGB CCN(CC)C(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccccc1NC(C)=O 5313756 RPGZJGZWYZQAAT-CIAFOILYSA-N 375.429 1.334 50 40 GDGB COc1cccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)c1 7939976 KFTHZPUJNIBJDI-UHFFFAOYSA-N 399.403 1.418 50 40 GDGB Cc1cccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3O)C2=O)c1 9301681 JSRXAPQTXWRCRW-UVTDQMKNSA-N 380.360 1.942 50 40 GDGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(C#N)cc1 12880744 QYLWXQQSFKJXLH-UHFFFAOYSA-N 383.227 1.283 50 40 GDGB O=C(O)CCc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 13079318 MNDFYTPZPQWBKV-UHFFFAOYSA-N 392.389 1.056 50 40 GDGB C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(O)cc1 3117762 PWXWWHPRXIHLIG-JDAJCMJVSA-N 392.393 1.118 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C 6953978 XVZRPTWGGFSLGO-WSDLNYQXSA-N 382.420 1.599 50 40 GDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(C)cc(C)c1 9423450 KPBROJQQPAWKJT-LTKMBJGESA-N 399.472 1.995 50 40 GDGB CCOc1cc(C(=O)NNC(=O)CCn2cncn2)cc(OCC)c1OCC 12791178 OEUOOOXAIGHYGN-UHFFFAOYSA-N 391.428 1.326 50 40 GDGB C[C@@H]1Sc2ccc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc2NC1=O 12972809 FHCHLFXSLIZTJN-VIFPVBQESA-N 385.401 1.923 50 40 GDGB CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 15756785 UBFLQIORLUKGIP-UHFFFAOYSA-N 386.433 1.161 50 40 GDGB NNC(=O)c1nnc2sc(-c3ccc(I)cc3)nn12 57339033 MNVHWFDSVBWBPP-UHFFFAOYSA-N 386.178 1.061 50 40 GDGB O=C(CSc1nc(-c2ccccc2O)n[nH]1)NNC(=O)Cc1ccccc1 5522755 FNVFDSWGXUPVMQ-UHFFFAOYSA-N 383.433 1.660 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 6584698 VAPBMRYACPQKOS-WOJGMQOQSA-N 390.421 1.507 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 6953898 BNHLZSREHSWOSI-FSJBWODESA-N 396.447 1.907 50 40 GDGB COc1cc(S(=O)(=O)NNC(=O)c2ccccc2F)ccc1NC(C)=O 7428886 CJMBZMHXJLKNFL-UHFFFAOYSA-N 381.385 1.416 50 40 GDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CN1CCOCC1 17077951 BLBVMOZAZQLCMR-SFHVURJKSA-N 381.436 1.777 50 40 GDGB Cc1occc1C(=O)Nc1nc(CC(=O)NNC(=O)c2ccccn2)cs1 40142844 RHGLDYDMIKJRLD-UHFFFAOYSA-N 385.405 1.696 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccnc2)c1-c1ccccc1 2338909 JGEQWKCSFMPPTC-KEBDBYFISA-N 375.352 1.058 50 40 GDGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 58873299 YUTTWJOTGIGUFG-YDZHTSKRSA-N 396.447 1.357 50 40 GDGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1 12696580 SYUZFNNOXJBFBX-NSHDSACASA-N 396.396 1.389 50 40 GDGB O=C(NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)c1cccnc1 12768870 RPZMSRPLTPPGQQ-UHFFFAOYSA-N 391.431 1.983 50 40 GDGB Cc1ccc(OCCCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 12760604 WPVUFNCNYYDCCL-UHFFFAOYSA-N 394.431 1.862 50 40 GDGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2O)c(C)c1 6607412 KLADMAJWAVHKRE-VXLYETTFSA-N 375.450 1.746 50 40 GDGB C/C(N)=C(\C#N)C(=O)COC(=O)CCNC(=O)CCC(=O)c1cccs1 102880636 QLUSZCIWIIRDKC-QXMHVHEDSA-N 377.422 1.086 50 40 GDGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)c1 59459669 NZXGIDDTAWDVFB-RGVLZGJSSA-N 387.392 1.810 50 40 GDGB Cc1ccccc1NC(=O)[C@H]1C(=O)N(c2ccccc2C)C(=O)/C1=N/NC(N)=O 104282620 WUXOSWOZTOAZIG-IXSYQRGLSA-N 393.403 1.456 50 40 GDGB COc1ccc(C(=O)NN[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1OC 3375162 WXNMYNXFKPIHQL-OAHLLOKOSA-N 383.404 1.266 50 40 GDGB COc1ccccc1/C=N\NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 33649617 GQEDBIRQCWJXJS-ZHZULCJRSA-N 389.477 1.650 50 40 GDGB O=C(O)c1ccc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 102539356 GLGYQBLEXPNSGK-QXMWZZNTSA-N 380.194 1.894 50 40 GDGB COc1cc(/C=N/NC(=O)C[N+](C)(C)C)cc(I)c1O 1847328 MZDNYLQWYBUYEU-UHFFFAOYSA-O 392.217 1.162 50 40 GDGB CCn1nc(C(=O)N/N=C/c2cc(OC)c3c(c2)OCO3)c2ccccc2c1=O 13137182 MPZSDYBMNOBQOW-UFFVCSGVSA-N 394.387 1.918 50 40 GDGB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1cccs1 9911136 HFAKZJXYIQEHCT-LMMOQWNQSA-N 379.463 1.488 50 40 GDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1cccc(F)c1 33343380 UKYDYUNFKRHWJT-NKVSQWTQSA-N 379.355 1.958 50 40 GDGB CCS(=O)(=O)[C@H](I)C(=O)c1cccc([N+](=O)[O-])c1 96517955 UVJGVCSOSLXOBX-JTQLQIEISA-N 383.163 1.973 50 40 GDGB Cc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc2c(c1)OCCCO2 13042141 UFCMZYBXFGKZGQ-UHFFFAOYSA-N 392.433 1.545 50 40 GDGB CNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 13470816 PFHTZKMKDNHSOG-UHFFFAOYSA-N 385.276 1.942 50 40 GDGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 19831269 YLBCJMGVYYYBDT-RGVLZGJSSA-N 387.267 1.282 50 40 GDGB Cc1nn([C@H]2CCS(=O)(=O)C2)c(N2CCCCC2)c1/C=N/NC(=O)C1CC1 7783695 AVNNIYCKIMFOGP-BKQORJHRSA-N 393.513 1.402 50 40 GDGB CCCCCCC(=O)NN/C=C1/C(=O)N=C(O)N(c2cccc(OC)c2)C1=O 17014970 XVJDBMYZMRJYBJ-QINSGFPZSA-N 388.424 1.958 50 40 GDGB C[C@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)S(C)(=O)=O 5881119 XJHVZJIUPFHVEX-RNEAKCBISA-N 390.421 1.900 50 40 GDGB COc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)c(OC)c1 20210824 VGEQUNPXRNFYCG-YBFXNURJSA-N 392.437 1.015 50 40 GDGB C#CCOCCOCCOCCOCCOC(=O)Oc1ccc([N+](=O)[O-])cc1 205369047 BRQWRLYCHVNDKS-UHFFFAOYSA-N 397.380 1.810 50 40 GDGB CC(C)(C)NC(=S)NNC(=O)c1ccc(I)c(O)c1 408585874 KGCOWCXNSOPMRQ-UHFFFAOYSA-N 393.250 1.904 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1F 408788257 DDIOALAYEPCEBI-VCHYOVAHSA-N 394.384 1.650 50 40 GDGB O=C(CC(=O)Nc1ccccc1C(=O)O)NNC(=O)Cc1ccccc1Cl 2345411 AVADOLPYFYBNAT-UHFFFAOYSA-N 389.795 1.757 50 40 GDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1nc(-c2ccncc2)no1 22316656 VKBJTUWTWSKXIT-GFCCVEGCSA-N 399.382 1.818 50 40 GDGB C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccc(Br)cc1)CS2 24265022 FIOIWOPEGXSWNR-NHYWBVRUSA-N 398.282 1.664 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1c[nH]c2ccccc12 36705700 QOWJCNIHYUSEDI-UHFFFAOYSA-N 383.385 1.898 50 40 GDGB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccccc3O)C2=O)c1 408529743 DBVUQYCFOXSAKJ-ANKPHQHTSA-N 396.359 1.016 50 40 GDGB O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1cnccn1 11219270 LQTXQGIIMKZNMQ-UHFFFAOYSA-N 378.388 1.896 50 40 GDGB C[C@H]1Sc2ccc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc2NC1=O 12972810 FHCHLFXSLIZTJN-SECBINFHSA-N 385.401 1.923 50 40 GDGB C=CCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@H](C)C2)nc2ccccn2c1=O 13121698 JNZUVUDUWHXGKI-WMVBVCORSA-N 393.447 1.517 50 40 GDGB CCc1cc2c(=O)n(CC(=O)N/N=C3\C(=O)Nc4ccccc43)cnc2s1 5556546 WMRUNURGDHCPFV-UHFFFAOYSA-N 381.417 1.493 50 40 GDGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(Cl)cc1Cl 705014 LDYRDBAYBSMSRX-YAXRCOADSA-N 381.183 1.612 50 40 GDGB CCn1c(NNC(=O)CCNC(=O)OC(C)(C)C)nc2ccccc2c1=O 11161686 IZVRRQDHCVTLFC-UHFFFAOYSA-N 375.429 1.774 50 40 GDGB Cc1cc2c(c(=O)n1CCN(C)C)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 9355671 LWGGNASDGQRDTC-OAQYLSRUSA-N 391.431 1.043 50 40 GDGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCC(=O)N1CCCC1 43775880 ZVQHRALJLFFZRT-LPYMAVHISA-N 382.420 1.855 50 40 GDGB O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1nc[nH]n1 6219620 SPGIIECDQRQUGF-BNNQUZSASA-N 389.007 1.799 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2)c1ccccc1O 944117 XWLAZUYTHLWHRP-UHFFFAOYSA-N 383.385 1.734 50 40 GDGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(OC)c2)s1 1958288 QJCIINDHWYXOAE-RQZCQDPDSA-N 377.426 1.684 50 40 GDGB C=CCc1cccc(/C=N/NC(=O)COc2ccc(-n3cnnn3)cc2)c1O 2320126 UUVOCUWHMSYJKZ-RGVLZGJSSA-N 378.392 1.626 50 40 GDGB O=C(O)C[C@@]12CSc3[nH]c(=O)sc3[C@H]1c1cc([N+](=O)[O-])ccc1OC2=O 2688997 NVIAJQVJGSHZSL-MEBBXXQBSA-N 394.386 1.962 50 40 GDGB Cc1cc(C)nc(NNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)n1 11334316 OXASQBSIECNMPU-LBPRGKRZSA-N 375.454 1.561 50 40 GDGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 59960051 DKGCGXCOEJZFHG-SSDVNMTOSA-N 382.420 1.763 50 40 GDGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1 408922396 AJVIQOBFJBALDT-ZXOFLVKFSA-N 390.465 1.785 50 40 GDGB COc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1OC 3244977 MZBZCPXSHGFANX-PKNBQFBNSA-N 384.388 1.721 50 40 GDGB C/C(CC(=O)NCCCN1CCOCC1)=N\NC(=O)COc1ccc(C)cc1 4672754 POCGKNPEHPUDJL-OQKWZONESA-N 390.484 1.095 50 40 GDGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@@H]1c1ccccc1 409135771 QZYWNIZDDXNXOA-IRXDYDNUSA-N 399.472 1.780 50 40 GDGB COCCn1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1ccco1 13513804 LTKCOAIDTXEPTP-UHFFFAOYSA-N 391.409 1.331 50 40 GDGB COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(C)=O 3081159 PHMDQEYFBUKRMJ-LSHDLFTRSA-N 387.367 1.640 50 40 GDGB CN1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(F)cc3)c2)CC1 45971796 IHEMEASTXIDDCJ-UHFFFAOYSA-N 392.456 1.519 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccc(C)s2)cc1OC 6507272 AYKCOVJAXCWNQE-UHFFFAOYSA-N 391.449 1.655 50 40 GDGB O=C(NNC(=S)NCc1ccc2c(c1)OCO2)[C@@H]1COc2ccccc2O1 7982717 LUABPGDGKHVZRM-INIZCTEOSA-N 387.417 1.251 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1CC 8088413 ZUXIYMRNJVSPGM-YDZHTSKRSA-N 396.447 1.853 50 40 GDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1nc(-c2ccccc2)cs1 16694018 HPYRMBVGDDMUFA-QNGOZBTKSA-N 381.417 1.779 50 40 GDGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C\c1ccc(OCc2ccccc2)cc1 31776243 NHJUTNNDLQXIGF-MTJSOVHGSA-N 393.403 1.120 50 40 GDGB Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 9912516 YRCHKJLLFYBOQY-UHFFFAOYSA-N 377.422 1.447 50 40 GDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccsc2)c1-c1cccs1 2449327 JHDKSNDZHBMRMQ-OMCISZLKSA-N 386.422 1.786 50 40 GDGB C=CCOc1c(I)cc(/C=N/NC(N)=O)cc1OC 13747720 VQPWTGZGRLUQEQ-VIZOYTHASA-N 375.166 1.867 50 40 GDGB COC(=O)N/N=C(\C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccccc1 8655295 NVGPURSIRSECPC-XTFSCAMASA-N 384.348 1.885 50 40 GDGB O=C(CNc1ccccc1)NN[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 35682773 DLBBSOZAAXUCKL-QGZVFWFLSA-N 397.479 1.762 50 40 GDGB Cc1cc2ncc(C(=O)NNC(=O)c3cnc4cc(C)nn4c3C)c(C)n2n1 40158861 HKUJVLPICMPHRO-UHFFFAOYSA-N 378.396 1.080 50 40 GDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1F 408785908 JOZVSECVYBFEJY-DJKKODMXSA-N 393.396 1.471 50 40 GDGB O=C(CNC(=O)c1ccccc1Br)NNC(=O)c1cccs1 6510293 KFXHWKGWFKERLF-UHFFFAOYSA-N 382.239 1.702 50 40 GDGB COc1cccc(-n2nnc3c(N4CCN(C(=O)CCl)CC4)ncnc32)c1 9850643 USLFUIMIJDBGRL-UHFFFAOYSA-N 387.831 1.107 50 40 GDGB C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)Cn1cnc2ccccc21 12516737 WKTKAUILRVVIKL-AWEZNQCLSA-N 395.419 1.499 50 40 GDGB CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c1O 13597127 NKSSCNLKNULGMF-OSSOMXAKSA-N 387.348 1.989 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)c2ccccc2[S@](C)=O)cc1OC 32789036 MTZZCOLWUGDOSH-AREMUKBSSA-N 376.434 1.906 50 40 GDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc(Br)cc1 101167980 CORIWSAFSXUDNG-CPNJWEJPSA-N 377.198 1.418 50 40 GDGB O=S1(=O)C[C@H](Cl)[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 157773873 NIGFSRWDSNYJAO-VHSXEESVSA-N 378.686 1.676 50 40 GDGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)c1C 408908207 VKGUDMGWOYONGU-YBFXNURJSA-N 375.450 1.925 50 40 GDGB O=C(CNC(=O)NCc1ccco1)NNC(=O)Nc1ccc(F)c(Cl)c1 1754276 KNVVAHBKNFFIHW-UHFFFAOYSA-N 383.767 1.724 50 40 GDGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 6583352 ATRRFBNRBPBEQK-XDHOZWIPSA-N 375.450 1.607 50 40 GDGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 3423352 UDVJZENLKQKALQ-UHFFFAOYSA-N 375.337 1.695 50 40 GDGB COc1ccc(/C=C(\NC(=O)c2ccc(Br)o2)C(=O)NN)cc1 13764637 SNPUJGWXQJXSBF-FLIBITNWSA-N 380.198 1.812 50 40 GDGB COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccccc3O)C2=O)c1 408529746 DBVUQYCFOXSAKJ-DGURAOSJSA-N 396.359 1.016 50 40 GDGB Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1 8852451 QBKOUCTVLIDGKS-UHFFFAOYSA-N 392.419 1.459 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(F)cc2)cc1C 33375783 WRYAMSJJTWXVDW-JAIQZWGSSA-N 393.440 1.914 50 40 GDGB COc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc([N+](=O)[O-])c1O 35415562 USGCQPUIRWKYRG-APSNUPSMSA-N 376.281 1.687 50 40 GDGB COc1cc(CCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1 12974277 DZWQOKKPHHOUCO-SFHVURJKSA-N 386.404 1.624 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 6312910 UELANILIVRBPCL-FSJBWODESA-N 398.394 1.596 50 40 GDGB Cc1n[nH]c2c1[C@H](c1ccccc1OCC(=O)N1CCOCC1)C(C#N)=C(N)O2 818711 VNORHZYRBUOLEQ-GOSISDBHSA-N 395.419 1.174 50 40 GDGB CO[C@@H]1C[C@@H](NC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@@H](CBr)O1 4568297 JZLAUALBZXMLIS-APIJFGDWSA-N 386.242 1.873 50 40 GDGB Cn1nc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)c2ccccc2c1=O 5615301 PPNIYXWLTOUICZ-UHFFFAOYSA-N 388.330 1.610 50 40 GDGB O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)Nc1ccc([N+](=O)[O-])cc1 15934112 JCDLZYALTSXFAE-UHFFFAOYSA-N 375.297 1.735 50 40 GDGB Cc1nn(CCC(=O)NNC(=S)NCC(C)C)c(C)c1Br 8681008 DVBFNSLWOZCCMU-UHFFFAOYSA-N 376.324 1.804 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccccn1 16291261 BXODDTLZJWAHEZ-ODLFYWEKSA-N 376.438 1.169 50 40 GDGB COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)c1 5514601 HTEVYKVPQCCYNF-LPYMAVHISA-N 385.420 1.521 50 40 GDGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/C=C\c1ccc(N(C)C)cc1 22000394 JVQFDXYTSDMHLH-DCZBJJQFSA-N 381.400 1.036 50 40 GDGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CN2CCOCC2)o1 59246410 WIXULCFDMZCNRD-YBFXNURJSA-N 388.380 1.646 50 40 GDGB O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 24127979 CUTDGEWWIFOIFK-NSHDSACASA-N 378.372 1.220 50 40 GDGB CCS(=O)(=O)[C@@H](I)[C@@H](O)c1cccc([N+](=O)[O-])c1 96519259 FNTUOWMMVSGIEA-VHSXEESVSA-N 385.179 1.824 50 40 GDGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCC(N)=O 7386537 JJBDBIIFSJYMEA-YDZHTSKRSA-N 396.447 1.923 50 40 GDGB C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccc(Br)cc1)CS2 24265016 FIOIWOPEGXSWNR-ABAIWWIYSA-N 398.282 1.664 50 40 GDGB O=C(CCS(=O)(=O)c1ccccc1)NNC(=O)COc1ccc(F)cc1 6509552 VQPQZLJFFBUTNB-UHFFFAOYSA-N 380.397 1.216 50 40 GDGB NC(=O)N1CCC[C@H]1C(=O)NNC(=O)CSc1nc2ccccc2s1 6508220 UGDICNUMTQMEIQ-JTQLQIEISA-N 379.467 1.079 50 40 GDGB Cc1noc(C)c1S(=O)(=O)NNC(=O)c1cncc(Br)c1 71279266 SWKXSTGWMZYHGQ-UHFFFAOYSA-N 375.204 1.072 50 40 GDGB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1ccccn1 4700290 UCJXOASENMLTPA-UHFFFAOYSA-N 397.218 1.805 50 40 GDGB CCCCC(=O)NN/C=C1/C(=O)N(c2ccccc2OC)C(=S)N=C1O 6782948 RKDLUJXVGBDMLS-ZHACJKMWSA-N 376.438 1.978 50 40 GDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(C)cc(C)c1 9423451 KPBROJQQPAWKJT-PMFHANACSA-N 399.472 1.995 50 40 GDGB CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)c1 28438325 UZOZOEUEMWHOKJ-HNNXBMFYSA-N 384.436 1.659 50 40 GDGB CC(C)n1[nH]cc/c1=N\C(=O)[C@H](C)SC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1 103408379 VHCAJIMRMBKHGQ-YWNSTOLXSA-N 386.481 1.977 50 40 GDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc(Br)cc1 409377840 LKXHRZSHWOLMNC-JBBSTSQOSA-N 395.209 1.254 50 40 GDGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(CC(N)=O)c3ccccc23)n1 6390232 XNDHRNMOIJCAAQ-ODCIPOBUSA-N 396.476 1.776 50 40 GDGB CN(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 6544815 PHPDBWIXWMSKBU-GZTJUZNOSA-N 376.394 1.366 50 40 GDGB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\NNC(=O)c1ccccc1O 9334726 QRCXXZVCZJEACE-QINSGFPZSA-N 398.419 1.479 50 40 GDGB CO[C@@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccccc1 95464986 HFODIWNUWGGRCF-CYBMUJFWSA-N 391.287 1.201 50 40 GDGB CCOC(=O)C(=O)NCc1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)o1 408826229 BTVJCDAASFZVLY-VBKFSLOCSA-N 395.415 1.725 50 40 GDGB Cc1ccc(OCC(=O)NNC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1 4966066 AVXBNSDKVLKFDU-UHFFFAOYSA-N 397.479 1.845 50 40 GDGB O=[N+]([O-])c1cc([N+](=O)[O-])c(/N=c2\snnn2CCCl)c([N+](=O)[O-])c1 100369779 BNXLTNYUFDNVBO-LUAWRHEFSA-N 375.710 1.535 50 40 GDGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2ccco2)C(C)C)cc1 14161958 UFZGFMMQZJXXHA-HNNXBMFYSA-N 379.438 1.352 50 40 GDGB CCc1cccc(OCC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c1 6928635 KEZPBIAEQKMPHF-UHFFFAOYSA-N 394.431 1.819 50 40 GDGB Cc1ccc(C(=O)NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 5540664 FAIJYXATBOTVNL-UHFFFAOYSA-N 398.467 1.215 50 40 GDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(OC)cc2)c2ccccc21 5679413 IRTCWUCIGUWQNA-GFMRDNFCSA-N 394.431 1.241 50 40 GDGB COc1ccc(NC(=O)CCCCl)cc1S(=O)(=O)N1CCOCC1 6787384 ZZAUYZDAMCRYOS-UHFFFAOYSA-N 376.862 1.674 50 40 GDGB COc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1CCS(=O)(=O)C1 7324403 FMWMIBDHZMNKNY-NEFPKRPYSA-N 375.244 1.343 50 40 GDGB Cc1cc(Cl)cc2c1NC(=O)/C2=N\NC(=O)c1nc2ccccc2c(=O)[nH]1 12602223 KSYDWIUXJUFEGH-UHFFFAOYSA-N 381.779 1.971 50 40 GDGB IC[C@@H]1OO[C@@H]1[C@H]1OO[C@H]1CI 104055844 MJPRKZQWHUKEGW-BXKVDMCESA-N 397.934 1.254 50 40 GDGB O=C(N/N=C/c1ccc(O)cc1O)c1cccc(S(=O)(=O)N2CCCC2)c1 3525222 PAVLIUWZKDYLPM-XDHOZWIPSA-N 389.433 1.646 50 40 GDGB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)N2 4942675 UITYHLSEFPXXAP-NSHDSACASA-N 378.219 1.642 50 40 GDGB O=C(COC(=O)CCC(=O)Nc1ccc(F)cc1)NNC(=O)c1ccccc1 7939707 ZOVHCISPEKZTSD-UHFFFAOYSA-N 387.367 1.549 50 40 GDGB CC(C)CCN1C(=O)/C(=N\NC(=O)CCC(=O)NN)c2cc(Cl)ccc21 27986353 MCOIWSZBXCRHMW-JWGURIENSA-N 379.848 1.323 50 40 GDGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1ccccc1 408682616 JVSAFFAGPFRBCP-NCPBCQDQSA-N 394.221 1.739 50 40 GDGB O=C(CN1CCOCC1)N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1 409068228 KSPPUEWHXVMPNJ-ZVBGSRNCSA-N 393.806 1.844 50 40 GDGB Cc1n[nH]c2c1[C@@H](c1ccccc1OCC(=O)N1CCOCC1)C(C#N)=C(N)O2 818712 VNORHZYRBUOLEQ-SFHVURJKSA-N 395.419 1.174 50 40 GDGB C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN 1558302 DZWKWCBOUNMSHQ-XHDPSFHLSA-N 389.456 1.098 50 40 GDGB CCCc1c(C(=O)N/N=C(\C)Cc2ccccc2OC)nnn1-c1nonc1N 9233302 CTKDQUJLLOJXJW-RGVLZGJSSA-N 398.427 1.542 50 40 GDGB Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 5123704 GBTKLJFJLVPDNC-VXLYETTFSA-N 381.348 1.192 50 40 GDGB O=C(Cc1cn2ccsc2n1)N/N=C/c1ccc(N2CCOCC2)s1 6210347 STXUPQRDABDGKI-LICLKQGHSA-N 375.479 1.987 50 40 GDGB O=C(N/N=C\C=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 6528325 MDRDOKKOYPKKHL-FDWQPRGYSA-N 382.332 1.275 50 40 GDGB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2)c1 15435238 NPMRCMCKFGQHFM-UHFFFAOYSA-N 375.450 1.433 50 40 GDGB C[C@@H](C(=O)N/N=C/c1ccccc1C(=O)O)N(c1ccccc1)S(C)(=O)=O 408907261 NTEJBFHUGQXMQE-HCZVKUGISA-N 389.433 1.690 50 40 GDGB COc1ccccc1N(CC(=O)N/N=C/c1cccc(C)c1)S(C)(=O)=O 408907242 NIRDITDCFCHTCH-XDHOZWIPSA-N 375.450 1.920 50 40 GDGB CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2O)s1 59498797 IWSDZWBLFIGMND-CAOOACKPSA-N 377.426 1.627 50 40 GDGB O=C(COc1ccc2c(c1)CCC(=O)N2)NNC(=O)Cc1ccc(Cl)cc1 29617442 PIWNAUDZGKQMDK-UHFFFAOYSA-N 387.823 1.994 50 40 GDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1Cl 2631435 PHHUZRIGTORMPY-AWEZNQCLSA-N 377.740 1.849 50 40 GDGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1 4728551 HUCRRHIDDXFXIZ-HTAPYJJXSA-N 384.443 1.928 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1cncn1-c1ccccc1 7131700 YXVIGOUNDLLVFL-UHFFFAOYSA-N 378.360 1.774 50 40 GDGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)[C@@H]1COc2ccccc2O1 9762149 GXOAILFIIXVZNA-NOICUEDQSA-N 388.292 1.499 50 40 GDGB N#Cc1ccc(Nc2cccc([C@H]3CCCN3Cc3ccc(B(O)O)o3)n2)cn1 585295379 XHBPQMZFOFNMES-GOSISDBHSA-N 389.224 1.702 50 40 GDGB O=C(CCCCC(=O)NNC(=O)c1cccs1)NNC(=O)c1cccs1 100007220 AEUJGLAPIXRVMY-UHFFFAOYSA-N 394.478 1.592 50 40 GDGB Cc1cccc2c1NC(=O)/C2=N\NC(=O)[C@@H](C)n1cnc2ccccc2c1=O 100279616 FXWRWUQTFGQAFG-GFCCVEGCSA-N 375.388 1.739 50 40 GDGB O=C(Cc1nnc(=O)[nH]c1O)N/N=C/c1c(Cl)ccc(Cl)c1Cl 943662 PPUMBAVUOWCRHZ-AYSLTRBKSA-N 376.587 1.524 50 40 GDGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(OCC(N)=O)c2)[C@H]2CSCC=C12 2324563 RFPHFWVNZLUATP-FUHWJXTLSA-N 391.456 1.707 50 40 GDGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(N)=O)NC(=O)[C@@H]1C(=O)OC 9329859 UHSGIZIMIHBINJ-LSDHHAIUSA-N 389.433 1.042 50 40 GDGB CNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C 408606936 BEBUOUHTELCGTD-SSDVNMTOSA-N 398.419 1.217 50 40 GDGB Cc1cccc(C)c1OCC(=O)NCC(=O)NNC(=S)Nc1ccccc1 32114673 WDTWMLVEQNYBEM-UHFFFAOYSA-N 386.477 1.816 50 40 GDGB COc1ccc(OC)c(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 60369037 WJNUPAXVRBZRBL-UHFFFAOYSA-N 391.449 1.901 50 40 GDGB CC(=O)c1c(NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)oc(C)cc1=O 27028112 SKWRRGZTLKOCQC-UHFFFAOYSA-N 376.281 1.724 50 40 GDGB Cc1cc2c(c(=O)o1)[C@H](c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 9299684 MJAQRZLYKIKREU-GFCCVEGCSA-N 386.276 1.688 50 40 GDGB COCc1cc(C)n(CC(=O)N/N=C/c2c[nH]c3ccccc23)c(=O)c1C#N 98087302 SGQNWVOWVIRQPD-AUEPDCJTSA-N 377.404 1.806 50 40 GDGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1 36007953 UWMDBVVSDYILCK-UCQKPKSFSA-N 378.432 1.920 50 40 GDGB CCOc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3C#N)n2)ccc1O 5906205 WFINZPSWJBMPCO-SRZZPIQSSA-N 391.391 1.466 50 40 GDGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)N2 4942668 WTFRRKKVWBZCNN-LLVKDONJSA-N 388.225 1.098 50 40 GDGB O=C(CN1C(=O)COc2ccccc21)NN[C@H](C(=O)NC1CC1)c1ccccc1 8943636 SDBHMOMANBEYDX-FQEVSTJZSA-N 394.431 1.053 50 40 GDGB CC(C)n1nc(C(=O)NNS(=O)(=O)c2cccs2)c2ccccc2c1=O 12947618 ABMDWSQRYPQRRC-UHFFFAOYSA-N 392.462 1.662 50 40 GDGB CC1(C)C(CSS(C)(=O)=O)=C(CSS(C)(=O)=O)C(C)(C)N1O 22052362 IPKHEJLDAPALOH-UHFFFAOYSA-N 389.586 1.931 50 40 GDGB in-vitro Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408968281 XTRUFKLERXQAFC-WSDLNYQXSA-N 397.460 1.900 50 40 GDGB CCCOc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1OCC 7869474 CYFZWDVVAVZYDF-VRCTWVPOSA-N 377.441 1.619 50 40 GDGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccccc1F 33525975 YCQZWGXZEOUOTO-MOSHPQCFSA-N 377.441 1.780 50 40 GDGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc(OC)c1OC 95921772 FXZXWEWAUHVYSG-OAHLLOKOSA-N 386.360 1.376 50 40 GDGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1Cl 100066824 YEYVMFDAODVMGL-AWQFTUOYSA-N 389.239 1.577 50 40 GDGB COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1 13513114 YTWDJLDIVQPDBF-VXLYETTFSA-N 384.400 1.519 50 40 GDGB CCNC(=S)NNC(=O)[C@@H](CCSC)NC(=O)c1ccc(OC)cc1 4739065 YSBYPHKLKRMXNE-CYBMUJFWSA-N 384.527 1.062 50 40 GDGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc(F)cc1 408742223 VIQUQAHRFXTLIF-DGURAOSJSA-N 384.392 1.605 50 40 GDGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1nn(C)cc1[N+](=O)[O-] 89518685 OJLGVDYNDJMKLL-LLVKDONJSA-N 383.364 1.710 50 40 GDGB C/C(CC(=O)C(F)(F)F)=N\NC(=O)/C(C#N)=N/Nc1ccccc1[N+](=O)[O-] 100912622 KTDYZPQGQGLBCS-BYADOWTJSA-N 384.274 1.900 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(O)c2)cc1 6544497 TUUFAVMTFWMWNH-WOJGMQOQSA-N 377.422 1.172 50 40 GDGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)c1 409268943 BRBDOAIAUHMYLT-WSDLNYQXSA-N 394.431 1.741 50 40 GDGB COCCNC(=S)NNC(=O)/C=C/c1c(C)nn(-c2ccc(F)cc2)c1C 7007237 WMGUACBALCOBEW-CMDGGOBGSA-N 391.472 1.783 50 40 GDGB Cc1cccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c1 408659451 SJVAZFQPQYGGHY-MRXNPFEDSA-N 395.415 1.352 50 40 GDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(F)cc1 39986667 IULFWSUKQMRIJR-JAIQZWGSSA-N 393.440 1.914 50 40 GDGB Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)Cc1ccc2c(c1)CCC(C)(C)O2 71286927 HFDRNWUXHMFBCE-UHFFFAOYSA-N 392.481 1.682 50 40 GDGB O=C(NNC(=S)NC(=O)c1cccc(Br)c1)c1ccncc1 32118703 OXWKQQPQUVPWOX-UHFFFAOYSA-N 379.239 1.793 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)c2c(C)oc(C)c2S(N)(=O)=O)cc1 40143873 KXEPBRNCDCUQKN-UHFFFAOYSA-N 381.410 1.017 50 40 GDGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(N)=O)cc2)cc1[N+](=O)[O-] 2078392 FDBJQUUZUKACSK-RQZCQDPDSA-N 378.366 1.673 50 40 GDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C 408708623 RMWLIOPCBJGSPP-LPYMAVHISA-N 384.436 1.960 50 40 GDGB COc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)N1CCOCC1 35771408 RHWMUVZNRJOQMT-XKZIYDEJSA-N 398.419 1.092 50 40 GDGB O=C(NNC(=O)c1ccccn1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 40071918 MQFLWPPJUUZMLT-UHFFFAOYSA-N 392.412 1.080 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc(C)c1Cl 5959918 UULQGIJJFWZALO-OSRDXIQISA-N 396.827 1.361 50 40 GDGB Nc1nnc(CC(=O)N/N=C/c2ccc(OCCBr)cc2)s1 2298044 LCHPXBYYKDMFKW-LZYBPNLTSA-N 384.259 1.587 50 40 GDGB Cc1cc(C)n2nc(SCC(=O)NNC(=O)c3cccc(Cl)c3)nc2n1 3446880 AWMYWJUBCYWMPG-UHFFFAOYSA-N 390.856 1.948 50 40 GDGB Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/[C@H]1CC=CCC1 6252516 AQQTWGZNEOSOKR-DQAKUKQTSA-N 378.396 1.971 50 40 GDGB O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1ccc2c(c1)OCO2 6790427 PDQYYBPRSCTFDE-OAHLLOKOSA-N 385.401 1.679 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 6879451 PVWSCNAHAINYNU-ZVHZXABRSA-N 396.447 1.358 50 40 GDGB O=C(NNC(=O)c1ccccn1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 8197436 SIHJEEONQMFCHJ-UHFFFAOYSA-N 386.367 1.957 50 40 GDGB N#CC(C(=O)COC(=O)CNC(=O)c1cccc(F)c1)=C1Nc2ccccc2N1 28388824 CBVCIASVRFSQOM-UHFFFAOYSA-N 394.362 1.941 50 40 GDGB Cc1c(S(=O)(=O)NNC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)cnn1C 71287286 QIIOKOAFTKGMCG-UHFFFAOYSA-N 392.481 1.384 50 40 GDGB Cc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1 2663018 MNALYUGCNWONLA-UHFFFAOYSA-N 389.477 1.741 50 40 GDGB CCn1nc(C(=O)NNC(=O)COc2ccc(OC)cc2)c2ccccc2c1=O 3553314 LBRVMNDQGYGYCK-UHFFFAOYSA-N 396.403 1.265 50 40 GDGB C/C(CC(=O)NCCN1CCOCC1)=N\NC(=O)C12CC3CC(CC(C3)C1)C2 4592508 ANAUAGOWJVSLKS-HZHRSRAPSA-N 390.528 1.533 50 40 GDGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(CO)c1ccccc12 4736722 VAOJSOMQRGLGPU-NRFANRHFSA-N 387.351 1.462 50 40 GDGB O=C(/C=C1\SC(=O)NC1=O)NNC(=O)COc1ccc(Cl)cc1Cl 32594693 MLYLLNKYJUBBSF-WTKPLQERSA-N 390.204 1.387 50 40 GDGB CN(C)S(=O)(=O)c1ccc(C(=O)N/N=c2/sc3ccccc3n2C)cc1 1958670 YSLWKWZHENPQGU-HTXNQAPBSA-N 390.490 1.736 50 40 GDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](Cc1ccccc1)n1cnnn1 25120264 MFPRTGQVGOYXJN-QQABJKMWSA-N 394.479 1.821 50 40 GDGB Cc1occc1C(=O)NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 2781593 ZYWMXINXYPIYMO-CYBMUJFWSA-N 392.209 1.917 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1 58873601 HVWFDRWTLUDEHR-WSDLNYQXSA-N 399.403 1.014 50 40 GDGB NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(F)cc(F)c2)ccc1Cl 6985053 APDAEQWXZVYBQR-UHFFFAOYSA-N 389.767 1.340 50 40 GDGB O=C(NNS(=O)(=O)c1ccccc1Br)c1ccc2c(c1)OCO2 7428746 JOJGYXDCTJOREQ-UHFFFAOYSA-N 399.222 1.801 50 40 GDGB COc1ccc2cc(/C=N/NC(=O)c3c(C)nnn3-c3nonc3N)ccc2c1 1434196 ANTPXHKGDUJDFB-AWQFTUOYSA-N 392.379 1.467 50 40 GDGB CCNC(=O)/C(C#N)=C/c1c(N2C[C@@H](C)O[C@H](C)C2)nc2c(C)cccn2c1=O 2207250 FZILGHNTHHALFC-LCYSWIRJSA-N 395.463 1.660 50 40 GDGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1n[nH]c(=O)c2ccccc12 9468130 ISLGSTHEQCRKCP-CNHKJKLMSA-N 381.304 1.324 50 40 GDGB O=C(C[C@H]1C(=O)NCCN1C(=O)CBr)OCCCc1ccccc1 35604990 WDWPDVFEEJHOGH-AWEZNQCLSA-N 397.269 1.274 50 40 GDGB Cc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F 101314820 BBQLNZSNZHVIJU-OXLCNLPBSA-N 376.862 1.974 50 40 GDGB CCOc1ccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1OCC 409083221 SCUSAAWYUULUOD-OAHLLOKOSA-N 397.435 1.133 50 40 GDGB CCc1ccc(OCC(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 32976220 FETUGGFVOWTXPZ-RDTXWAMCSA-N 377.466 1.229 50 40 GDGB CCc1ccc(OCC(=O)NNC(=O)Cn2c(=O)cnc3ccccc32)cc1 32976222 NXWMAPHAJDCDSV-UHFFFAOYSA-N 380.404 1.185 50 40 GDGB COc1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 12137157 AIGFFYPPSNMAAH-GFCCVEGCSA-N 389.364 1.597 50 40 GDGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(OC)c3)CC2=O)cc1 408616595 ZOKUSNNNEVPIGW-HNNXBMFYSA-N 397.431 1.908 50 40 GDGB O=C(CCNC(=O)c1ccco1)NNC(=O)COc1ccc2ccccc2c1 32845878 HCCGWPDLUYTKAM-UHFFFAOYSA-N 381.388 1.779 50 40 GDGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 778250 NOMMDDJXQZMDFN-UKTHLTGXSA-N 387.417 1.897 50 40 GDGB CCc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 14201554 JDWIAXMPPDHVSD-AWEZNQCLSA-N 389.477 1.685 50 40 GDGB CCN1C(=O)/C(=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c2ccccc21 15974035 MMHOZUSRRXKPKV-CZBFUYOFSA-N 376.416 1.403 50 40 GDGB N#C/C(=C\c1cnc2ccccc2n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 17077532 DJTAIURAVKDHEE-FMIVXFBMSA-N 379.401 1.823 50 40 GDGB O=C(O)c1ccc(NC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)cc1 8474769 GLGYQBLEXPNSGK-JOGIVDDZSA-N 380.194 1.894 50 40 GDGB COC(=O)c1ccccc1S(=O)(=O)NNC(=O)c1c(C)nc2ccccn12 8778584 KORZOHDZFLPYFF-UHFFFAOYSA-N 388.405 1.053 50 40 GDGB Cc1ccccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 19954701 KTWGTWCAYBHCRE-WOJGMQOQSA-N 390.421 1.820 50 40 GDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1 8369982 CXHWQKWOTJYYEG-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB Cc1occc1-c1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1N 21165859 QCOVRTPYPDULCR-UHFFFAOYSA-N 390.400 1.253 50 40 GDGB CCn1c(SCC(=O)NNC(=O)Cc2ccccc2)nnc1-c1ccncc1 886920 BORSGCPBWKHIRA-UHFFFAOYSA-N 396.476 1.842 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl 4392850 IYTNAKVQKNFRAU-LBPRGKRZSA-N 388.873 1.308 50 40 GDGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)OC 4525032 VWHUWQSWWYUZKR-HTRKUNOGSA-N 388.420 1.839 50 40 GDGB COCCn1c(C)cc2c(c1=O)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 6669383 JLBIYNVHVJQZQF-FQEVSTJZSA-N 378.388 1.128 50 40 GDGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccc(Br)cc1 13786703 CORIWSAFSXUDNG-UYRXBGFRSA-N 377.198 1.418 50 40 GDGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccccc1C(=O)O 19902398 KMJKKBIXHYNHJX-HMAPJEAMSA-N 380.448 1.653 50 40 GDGB Cc1cc2c(c(=O)n1C)[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C(C#N)=C(N)O2 20086779 PWOXFSUMYHXCNH-OAHLLOKOSA-N 382.332 1.549 50 40 GDGB C=CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/NC(=O)c1cccc([N+](=O)[O-])c1 101225497 CDOZGAFTXDNUCN-WYFZMLARSA-N 378.366 1.200 50 40 GDGB COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21 989158 XHHKBFRVDFSVAZ-FQEVSTJZSA-N 379.372 1.175 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C 6953971 QZKQNCFMPJYRFB-FSJBWODESA-N 396.447 1.907 50 40 GDGB Cc1ccc(-c2c(C(=O)N/N=C/c3ccccc3)nnn2-c2nonc2N)cc1 2397445 DEBIVLXOAMRTGT-SRZZPIQSSA-N 388.391 1.972 50 40 GDGB COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)NC(C)=C2C#N)c(OC)c1OC 5255011 ZQTWVOXJPHYFEG-INIZCTEOSA-N 399.325 1.671 50 40 GDGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)Nc4ccccc43)[C@H]2C1 5789982 HUCRRHIDDXFXIZ-JTSKRJEESA-N 384.443 1.928 50 40 GDGB CCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@H](C)C2)nc2c(C)cccn2c1=O 18128822 FZILGHNTHHALFC-RLFXIDKPSA-N 395.463 1.660 50 40 GDGB CCNC(=O)NNC(=O)c1cc(Br)cc(Br)c1O 408566110 DHUKMXCGABAFRA-UHFFFAOYSA-N 381.024 1.881 50 40 GDGB Cc1occc1C(=O)NNC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 26150970 PEWVWLGTOHQODP-UHFFFAOYSA-N 388.399 1.976 50 40 GDGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc(OC)c1OC 664145 FXZXWEWAUHVYSG-HNNXBMFYSA-N 386.360 1.376 50 40 GDGB Cn1c(SCC(=O)NNC(=O)Cc2ccccc2)nc2ccccc2c1=O 933486 GQTYJKQRFKJDQH-UHFFFAOYSA-N 382.445 1.416 50 40 GDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1 2131819 RVASRDXTOHRJEL-UHFFFAOYSA-N 378.366 1.177 50 40 GDGB C[C@H](O)[C@H](O)CC(/C=N/NC(=O)c1ccccc1)=N/NC(=O)c1ccccc1 104132175 BSCXYPMFDMSTPM-QHIDDCCJSA-N 382.420 1.320 50 40 GDGB O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1cccc(S(=O)(=O)N2CCOCC2)c1 38374174 RWKCHDSTBUJWCI-WAANLJNLSA-N 375.450 1.389 50 40 GDGB CCc1sc(C(=O)NNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1C 14254052 NVTQGPBWYJBDQF-UHFFFAOYSA-N 381.435 1.677 50 40 GDGB C[C@@]1(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1(Cl)Cl 21343086 KOLHOEXZECFZBA-LBPRGKRZSA-N 379.269 1.325 50 40 GDGB COc1cccc(OC)c1C(=O)OCC(=O)NNC(=O)c1ccccc1Cl 7939956 XJCNZODLRWRHLR-UHFFFAOYSA-N 392.795 1.975 50 40 GDGB COc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)cc1[N+](=O)[O-] 59459781 IJAAPCUDXLOTFC-FYJGNVAPSA-N 384.392 1.803 50 40 GDGB CCOC(=O)c1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)nc1C 3260296 MJBCIRZWQXRWDD-UHFFFAOYSA-N 386.364 1.858 50 40 GDGB COc1ccc(CN2C(=O)N=C(O)/C(=C\NNC(=O)c3ccncc3)C2=O)cc1 8994635 XVHABBHIPRXOBH-XNTDXEJSSA-N 395.375 1.327 50 40 GDGB N#CC1=C(N)n2c(s/c(=C/c3ccsc3)c2=O)=C(C#N)[C@@H]1c1ccsc1 2259124 CQFBOWNZALIRPP-ZXZGFYSFSA-N 394.506 1.984 50 40 GDGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccccc2)c2ccccc21 5563661 PTBWSVHAYYAFNE-GFMRDNFCSA-N 378.432 1.621 50 40 GDGB CC(C)Oc1ccc(C(=O)NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 10215808 RJDIFSKWNFTHDI-UHFFFAOYSA-N 388.424 1.099 50 40 GDGB COc1ccc(CCNC(=O)NNC(=O)COc2ccccc2F)cc1OC 12567727 LJFNPMXEBDJMHO-UHFFFAOYSA-N 391.399 1.795 50 40 GDGB N#Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccc2c(c1)OCCCO2 15978119 DUIUUIOMGHBSLF-VQHVLOKHSA-N 393.399 1.959 50 40 GDGB O=C(CCN1CCOCC1)N/N=C/c1ccc(OC(=O)c2cccnc2)cc1 21487104 IVOHJSSRNNYMTI-HYARGMPZSA-N 382.420 1.473 50 40 GDGB Cn1cc(C(=O)NNC(=O)CCn2cnc3ccccc3c2=O)c2ccccc21 26938167 HRMPDUBPFMXWHD-UHFFFAOYSA-N 389.415 1.740 50 40 GDGB Cc1ccc(OCC(=O)NNC(=O)CCc2c(C)nc3ncnn3c2C)cc1 12747124 OCZFGGMYSQMLSI-UHFFFAOYSA-N 382.424 1.209 50 40 GDGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 6507139 AYPRCJKACZDAGJ-OAHLLOKOSA-N 384.392 1.751 50 40 GDGB O=C(CCNC(=O)c1ccco1)NNC(=O)c1ccc(Br)cc1 15342870 VMGGBEODJDGCFX-UHFFFAOYSA-N 380.198 1.623 50 40 GDGB CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 503949926 RSRNJGQXENBJIJ-IVMKSBKJSA-N 376.409 1.533 50 40 GDGB Cc1nc(S(=O)(=O)NNC(=O)Cc2c(Cl)cccc2Cl)cn1C 71285413 CIJUXSSMVCDJPT-UHFFFAOYSA-N 377.253 1.588 50 40 GDGB N#CC1=C(N)n2c(s/c(=C/c3cccs3)c2=O)=C(C#N)[C@@H]1c1cccs1 2350606 YKVPEDPSIBRJCY-KEQVLUGWSA-N 394.506 1.984 50 40 GDGB COc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1 12947995 APRUQRHETVBFHL-UHFFFAOYSA-N 388.243 1.420 50 40 GDGB O=C(NNS(=O)(=O)c1ccc2ccccc2c1)[C@@H]1COc2ccccc2O1 7428915 OQOKJJMCJQFXHN-SFHVURJKSA-N 384.413 1.989 50 40 GDGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)c([N+](=O)[O-])cc1OC 409045563 ZFBFZPJWILOWBS-CAOOACKPSA-N 390.308 1.990 50 40 GDGB CCCCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 5047081 FDBWHELCDHEPJY-NTCAYCPXSA-N 388.424 1.753 50 40 GDGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cc2ccccc2[nH]c1=O 5615001 WEBKRPOFFQGNIT-BYWZACNXSA-N 388.427 1.994 50 40 GDGB C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3n[nH]c4c3CCCC4)cc2C1=O 9896312 GGHVLYSKIJSZFY-UHFFFAOYSA-N 393.403 1.145 50 40 GDGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(C)=O)cc2)cc1 15737383 GTWSSTJMLBMPHF-UHFFFAOYSA-N 377.422 1.667 50 40 GDGB O=C(Cc1cccc(F)c1)NCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 40144754 UKIIHZUIMCPJHD-UHFFFAOYSA-N 395.394 1.336 50 40 GDGB CCOC(=O)N1CCN(C(=O)C(=O)N/N=C(\C)Cc2ccc(OC)cc2)CC1 4680113 MOHNDYPGCRKDHP-XSFVSMFZSA-N 390.440 1.031 50 40 GDGB CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccn(-c2ccc(F)cc2)n1 95468765 XSJZOVRYLRGWBO-UHFFFAOYSA-N 391.403 1.687 50 40 GDGB Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)c1 409262090 FABBWZLTMMXKOU-WSDLNYQXSA-N 394.431 1.741 50 40 GDGB CCCOCC[C@H](CCl)OC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 242723199 YGHFYZCFORVIPI-GMTAPVOTSA-N 378.343 1.706 50 40 GDGB CCN(CC)C(=O)/C(C#N)=C/c1cc(OS(=O)(=O)O)c(O)c([N+](=O)[O-])c1 96031560 ICZFYESLPUXBQL-BJMVGYQFSA-N 385.354 1.257 50 40 GDGB in-vitro COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1O 8109323 NHISZCNIVAUUMQ-UQCOIBPSSA-N 387.133 1.107 50 40 GDGB CC(C)n1nc(C(=O)NNC(=O)CSc2ccncc2)c2ccccc2c1=O 40161102 XTZMBOPPVLDBDG-UHFFFAOYSA-N 397.460 1.926 50 40 GDGB O=C(NNS(=O)(=O)c1ccc(C(=O)NC2CCCC2)cc1)c1ccncc1 1324685 UPBXWYDKKNNXTH-UHFFFAOYSA-N 388.449 1.377 50 40 GDGB COc1cccc(/C=C2/SC(=S)N(CCC(=O)NNC(C)=O)C2=O)c1 13400257 BYVQKGXETLEOSC-UKTHLTGXSA-N 379.463 1.454 50 40 GDGB NNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl 408626779 WXWNUSWGYLKWFZ-UHFFFAOYSA-N 395.868 1.456 50 40 GDGB COc1ccc(CN2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3)C2=O)cc1 9320743 SOEBPBOJTDXZLN-LFIBNONCSA-N 394.387 1.092 50 40 GDGB O=C(NNC1=NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 6927955 ZJMYWPRBUWTUKU-UHFFFAOYSA-N 380.223 1.833 50 40 GDGB COc1ccccc1C(=O)NNC(=O)Cc1nc2sc(C)c(C)c2c(=O)[nH]1 6908699 AYZPLATWOUAAKP-UHFFFAOYSA-N 386.433 1.614 50 40 GDGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 6430390 GDEOHIKJZQZQMD-YDZHTSKRSA-N 396.447 1.989 50 40 GDGB COC(=O)Cc1[nH]nc2c1[C@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2 15108070 CKEMDZVHOKNDRL-CQSZACIVSA-N 384.348 1.081 50 40 GDGB O=C(CCCC(=O)NNC(=O)c1cccs1)NNC(=O)c1cccs1 2146026 UXKOWCRMKCEALO-UHFFFAOYSA-N 380.451 1.202 50 40 GDGB COc1cc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc(OC)c1O 5720140 WBONWUJQYMBIJF-CNPYVQQSSA-N 397.431 1.876 50 40 GDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(C)cc2)cc1 6475767 ZKZGPDIEUJJADE-XDHOZWIPSA-N 375.450 1.774 50 40 GDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 6497027 JWWBGWWWBNOAJY-WSDLNYQXSA-N 398.419 1.299 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 6865834 ADMHGBBRVZMITO-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB Cc1ccc(-c2c(C(=O)N/N=C/c3cccnc3)nnn2-c2nonc2N)cc1 2403914 QRPGXEOJAHOKBR-UFFVCSGVSA-N 389.379 1.367 50 40 GDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(F)(F)c1ccccc1 40144447 GCQKASMSLPRVLX-UHFFFAOYSA-N 396.419 1.841 50 40 GDGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 13011926 HVNNDMQMIXTZFK-YVEFUNNKSA-N 397.884 1.629 50 40 GDGB COc1ccc(/C=C\C(=O)NCC(=O)N/N=C/c2cccc(OC)c2O)cc1 4808777 BYGCLAMZQZXBEU-JVLVAAQDSA-N 383.404 1.689 50 40 GDGB Cc1cc(N(C)C)nc(SCC(=O)NNC(=S)Nc2ccccc2)n1 1052671 BMPBPMWNQPZCRE-UHFFFAOYSA-N 376.511 1.961 50 40 GDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 58880864 HHWYWOQDRJNVGY-SRZZPIQSSA-N 383.404 1.944 50 40 GDGB CC1(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)OCCO1 5727792 NDBRCZWCYRBSMI-LDADJPATSA-N 378.385 1.035 50 40 GDGB COc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)cc1 100128054 DNLIQCZJGDPSKG-HNNXBMFYSA-N 397.387 1.033 50 40 GDGB COc1cc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 825374 BCAKBOLTJZIQPB-UHFFFAOYSA-N 387.392 1.746 50 40 GDGB Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1NS(C)(=O)=O 12544785 SGVWEFAHAMDIQV-UHFFFAOYSA-N 398.444 1.990 50 40 GDGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)s1 1958305 CLTUIWKSRVVOBR-CXUHLZMHSA-N 376.398 1.878 50 40 GDGB O=C(NNc1nc(N2CCCCC2)nc(N2CCOCC2)n1)Nc1ccccc1 408724309 ARJMBDJAZOEKRG-UHFFFAOYSA-N 398.471 1.847 50 40 GDGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3O)C(=O)N=C2O)cc1 16944948 NAZUHRBDHPUDMT-UVTDQMKNSA-N 380.360 1.306 50 40 GDGB Cc1cc(OCC(=O)NNC(=O)CCNC(=O)c2ccccc2)ccc1Cl 15889401 OXQXJCVXRUIGCC-UHFFFAOYSA-N 389.839 1.995 50 40 GDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/Nc1ccc(Br)cc1C(=O)O 101126775 YHMRFHXEAXRSQM-XDHOZWIPSA-N 391.181 1.754 50 40 GDGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1 59498723 KMRKQSPRQDTABW-CXUHLZMHSA-N 376.398 1.878 50 40 GDGB O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nnc2ccccn12 6114827 ZKLBPARJUCGIIE-UHFFFAOYSA-N 391.840 1.701 50 40 GDGB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccccc1 97653881 MZESVBQKCJVTRA-SFQUDFHCSA-N 381.388 1.168 50 40 GDGB C=CC(=O)Nc1cccc(C(=O)NNC(=O)c2cc(Br)cn2C)c1 1136013218 JPXLIYKJILXLRO-UHFFFAOYSA-N 391.225 1.987 50 40 GDGB Cc1cc(C)n(CC(=O)NNC(=O)CCNC(=O)c2ccccc2Cl)n1 6427556 FXHCBDDZZOKNML-UHFFFAOYSA-N 377.832 1.121 50 40 GDGB CCOC(=O)[C@H]1[C@H](c2ccccc2Cl)[C@H]2C(=O)N[C@@]1(C)NC2=C(C#N)C#N 100253684 FDDGIIBOFNSDDD-DEXNDLTESA-N 384.823 1.970 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)c2ccccc2S(=O)(=O)CC)cc1 30062234 FZMDTRKPVLQCEU-UHFFFAOYSA-N 376.434 1.954 50 40 GDGB Cc1ccc(C(=O)N/N=C\[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 5698612 RSWGQBKTFXSZPN-PFHZTYADSA-N 380.429 1.775 50 40 GDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C 8369989 ATXJRWGNWIQUIU-SSDVNMTOSA-N 382.420 1.517 50 40 GDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2sccc2C)cc1OC 59435543 SPFKARWGUNZNNZ-RGVLZGJSSA-N 375.450 1.883 50 40 GDGB COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1 408880920 KKYNHPJEBQSHPH-HYARGMPZSA-N 397.431 1.697 50 40 GDGB COc1cc(OC)c(/C=N/NC(=O)C(=O)NCC(C)C)cc1Br 59483158 XWNUJXWACLFRKW-QGMBQPNBSA-N 386.246 1.689 50 40 GDGB CO[C@H]1C[C@H](NC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@@H](CBr)O1 4568296 JZLAUALBZXMLIS-GBJTYRQASA-N 386.242 1.873 50 40 GDGB in-vitro CCOc1cc(/C=N\NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1O 223158920 IXPQVCOMWKEKOJ-JAIQZWGSSA-N 385.376 1.666 50 40 GDGB COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 5720449 URBYGGPQFOQXQR-CQSZACIVSA-N 383.404 1.518 50 40 GDGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 13011927 HVNNDMQMIXTZFK-SJKOYZFVSA-N 397.884 1.629 50 40 GDGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 2771239 MNVXLGHNIOQSLI-WCWIVMHYSA-N 381.388 1.704 50 40 GDGB CCn1c(NNC(=O)c2[nH]c(C)c(C(=O)OC)c2C)nc2ccccc2c1=O 10681363 UVGYBZAYUXKDEF-UHFFFAOYSA-N 383.408 1.905 50 40 GDGB CNC(=O)c1ccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 15756378 KPYCYRAGZFALBV-UHFFFAOYSA-N 391.493 1.572 50 40 GDGB CN(CC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)C(=O)c1ccco1 22873600 AZERVUQKKMBIBO-UHFFFAOYSA-N 397.387 1.985 50 40 GDGB CCOc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 102914690 WQWUXMITHICBNG-IYBDPMFKSA-N 387.436 1.412 50 40 GDGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Br)c1O 409262384 IGLWDKYWSJMENO-YFEDRJBBSA-N 386.246 1.918 50 40 GDGB C/C(CC(=O)N1CCN(C=O)CC1)=N\NC(=O)c1ccc(Br)cc1 4697782 YUVCZXBLGHBURP-LDADJPATSA-N 395.257 1.246 50 40 GDGB COc1cc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)ccc1OCC#N 36312693 ZXKSRICVXQXRMR-RGVLZGJSSA-N 377.364 1.337 50 40 GDGB O=C(NNS(=O)(=O)c1cccc(F)c1)c1cncn1-c1ccc(F)cc1 7050403 KENLDKTUMCUDBB-UHFFFAOYSA-N 378.360 1.774 50 40 GDGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccncc3)C(O)=NC2=S)cc1 34237956 NZEFQHGBWWZJPL-UVTDQMKNSA-N 381.417 1.797 50 40 GDGB O=C(NCc1ccco1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 5581350 IOXVRPRBCBNVKO-NGYBGAFCSA-N 394.181 1.537 50 40 GDGB COc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cc1 12742184 MVFNTDNBPVKFCF-ZDUSSCGKSA-N 383.404 1.660 50 40 GDGB O=C(NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1cnccn1 14016059 VELAYYCEPVOYOE-UHFFFAOYSA-N 385.387 1.799 50 40 GDGB COC(=O)[C@H](Oc1ccc(OCC(=O)OCC(=O)Cl)cc1)C(=O)Cl 263583648 RBISWHKNJKUUNH-GFCCVEGCSA-N 379.148 1.060 50 40 GDGB Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1ccc(Br)o1 2121882 ZLPCIVWMSSXGIV-UFWORHAWSA-N 394.225 1.996 50 40 GDGB CCOC(=O)N1CCC(=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 9097083 LCTNXFASUHEPED-UHFFFAOYSA-N 379.329 1.841 50 40 GDGB CCNC(=O)/C(C#N)=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 9419773 WCGCOIXNUNCODR-ABHYRDSWSA-N 390.490 1.305 50 40 GDGB COc1cccc(CC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 12701355 MMKNUSWQKSXGIR-UHFFFAOYSA-N 390.465 1.300 50 40 GDGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccco1 5163436 KDTSLWNREFAGQS-QGOAFFKASA-N 377.422 1.455 50 40 GDGB O=C(COC(=O)CCCC(=O)NC1CCCCC1)NNC(=O)c1ccccc1 408646496 OWQJZOGAEUQBKZ-UHFFFAOYSA-N 389.452 1.610 50 40 GDGB COc1cc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)ccc1OCC(N)=O 33045808 WUJWKTIFJMFHFV-AUEPDCJTSA-N 380.404 1.733 50 40 GDGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1c(Cl)ccc(Cl)c1Cl 943656 VEEHGAITKMHCIF-YAXRCOADSA-N 390.614 1.501 50 40 GDGB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCC(=O)N/N=C1\C(=O)Nc3ccccc31)C2=O 4263146 AZBHGPGUNOTXGL-ASSNKEHSSA-N 396.447 1.660 50 40 GDGB C/C(=N\NC(=O)C[C@H]1C=Nc2ccccc21)c1nnn(-c2nonc2N)c1C 100058821 HYRNEDVEPTXGSW-QQZXWGPFSA-N 379.384 1.271 50 40 GDGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 104465917 WCGPVUNESFNLML-HKLRHMNMSA-N 379.413 1.754 50 40 GDGB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1 7429433 VCFASKWHKBJDGN-INIZCTEOSA-N 395.415 1.352 50 40 GDGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCOCC2)cc(OC)c1OCC(=O)O 59248271 RJKACZIPBNHMIO-YBEGLDIGSA-N 386.404 1.653 50 40 GDGB C=CCN1C(=O)[C@H](CC(=O)O)S/C1=N/NC(=O)c1cccc([N+](=O)[O-])c1 101225495 CDOZGAFTXDNUCN-NRYCMEERSA-N 378.366 1.200 50 40 GDGB CCc1ccccc1OCC(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1 13041380 NDZRLWUZSCGNSA-UHFFFAOYSA-N 378.406 1.336 50 40 GDGB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccco1 14250178 ACNOPIWHBHHUMS-AWEZNQCLSA-N 399.856 1.697 50 40 GDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc(Cl)cc1Cl 409376871 DQTUMPBUIXXHJO-JBBSTSQOSA-N 385.203 1.799 50 40 GDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 5928954 OMRHUDGQSGVMIR-YDZHTSKRSA-N 394.431 1.765 50 40 GDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)cc1OC 4851045 YRCUIAMQQZPIQD-QGZVFWFLSA-N 383.404 1.384 50 40 GDGB COc1cc(C(=O)N/N=c2/oc3ccccc3cc2C(N)=O)cc(OC)c1OC 10386863 KPNNDZMAMFPPQO-BSYVCWPDSA-N 397.387 1.803 50 40 GDGB Cc1nnc(SCC(=O)NNC(=O)c2ccc(Br)cc2)n1C 676163 SJGVTEGJFJMYJZ-UHFFFAOYSA-N 384.259 1.439 50 40 GDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 6544446 RWCDTKSDAWPFJE-YBFXNURJSA-N 379.413 1.605 50 40 GDGB COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 2214440 ZIRRDNADADTUAX-INIZCTEOSA-N 382.376 1.930 50 40 GDGB Cc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1F 101314813 BBQLNZSNZHVIJU-AAGTZJIKSA-N 376.862 1.974 50 40 GDGB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)C1CC1 9418999 ZOAOBVBOUIYQDM-BOPFTXTBSA-N 386.408 1.266 50 40 GDGB COC[C@H](C)O[Si](O[C@@H](C)COC)(O[C@H](C)COC)O[C@H](C)COC 195766862 DVYWNXMKZUKBRA-RUPPMWDTSA-N 384.542 1.628 50 40 GDGB COC(=O)C[C@H](Br)/C(=N/Nc1ccccc1[N+](=O)[O-])C(=O)OC 16189721 UEVCJDIWWHJFEH-QELZAPDASA-N 388.174 1.862 50 40 GDGB N#C/C(C(=O)NN1C(=O)[C@@H]2CCCC[C@H]2C1=O)=C(/O)c1ccc([N+](=O)[O-])cc1 102577496 RIARNESYNMFFND-PMNAPUGNSA-N 384.348 1.594 50 40 GDGB CN(c1ccc(C(=O)N/N=C/c2cccc3c2OCCO3)cc1)S(C)(=O)=O 409120961 UVNVFVXVXRGOFV-XDHOZWIPSA-N 389.433 1.618 50 40 GDGB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NN)c(Cl)c2)cc1 408636462 QNLLBGGEASPOLC-UHFFFAOYSA-N 385.829 1.518 50 40 GDGB CCOC(=O)/C(C#N)=C/C(C(=O)OCC)=C(/N)N1CCN(c2ccccc2)CC1 100205556 FRZZMZUEENSGGT-JFUVMGANSA-N 398.463 1.555 50 40 GDGB COc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1S(=O)(=O)NC(C)C 14242247 XNDQTIHPPPXWDW-UHFFFAOYSA-N 387.458 1.551 50 40 GDGB O=C(/C=C/c1c(Cl)cccc1Cl)NNC(=O)[C@H]1CCS(=O)(=O)C1 7956222 ZITIDXGCOSDSLB-MOVJSRMASA-N 377.249 1.589 50 40 GDGB COc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3C#N)n2)cc1OC 408720834 FFFFXFKPHDGZOK-SRZZPIQSSA-N 391.391 1.379 50 40 GDGB CC(=O)N[C@H](CCCNC(=O)N(CCCl)N=O)C(=O)NCc1ccccc1 5663256 NYLLPNYPEUPHGG-OAHLLOKOSA-N 397.863 1.520 50 40 GDGB O=C(NN/C=C1/C(=O)N(CCc2ccccc2)C(=O)N=C1O)c1ccncc1 2252165 WJGRSDARLVNQGH-NTCAYCPXSA-N 379.376 1.361 50 40 GDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(C)cc(C)c1 103518107 KPBROJQQPAWKJT-HKJBKDEOSA-N 399.472 1.995 50 40 GDGB O=C1OC(=O)[C@H]2[C@H]1C1(Cl)C(Cl)=C(Cl)C2(Cl)[C@H]2C(=O)OC(=O)[C@@H]21 104143723 LDFYOAUEDOLDGH-PJVYMHIGSA-N 385.970 1.290 50 40 GDGB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2n[nH]c3c2CCCC3)C1 13294888 LGWITLLDMQCRRN-GFCCVEGCSA-N 391.472 1.697 50 40 GDGB Cc1cc(C)n(CC(=O)NNC(=O)CCNC(=O)c2ccc(Cl)cc2)n1 6427562 RDOMPZCGJQTYCA-UHFFFAOYSA-N 377.832 1.121 50 40 GDGB CCc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 14201553 JDWIAXMPPDHVSD-CQSZACIVSA-N 389.477 1.685 50 40 GDGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3)C2=O)c(C)c1 16284840 LBWIGHGZHXCEAX-RVDMUPIBSA-N 378.388 1.705 50 40 GDGB Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCN(C)CC1)S(C)(=O)=O 20212539 JKXXRXKVJSLVGB-UHFFFAOYSA-N 386.905 1.612 50 40 GDGB Cc1nc(C)c(CCC(=O)NNC(=O)COc2ccc3ccccc3c2)c(=O)[nH]1 40017282 RYCQSAZAJYRUOJ-UHFFFAOYSA-N 394.431 1.699 50 40 GDGB Cc1cc(N2C[C@H](C(=O)NNC(=O)C3CC3)CC2=O)ccc1Br 40068917 HOYSYCMOALCBJQ-LLVKDONJSA-N 380.242 1.668 50 40 GDGB C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=S)NC2CCCCC2)c1 40161059 WIYTXYJIBYFRCL-UHFFFAOYSA-N 396.538 1.593 50 40 GDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1O 409266144 PMEUWNUAVDSXRC-KEBDBYFISA-N 385.848 1.826 50 40 GDGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(Br)cc12 705587 CMGYXHVXLGDKEF-INIZCTEOSA-N 390.193 1.810 50 40 GDGB O=C(CN1CCCc2ccccc21)NNC(=O)Cn1c(=O)oc2ccccc21 5700790 BGQPWOLHJCANSO-UHFFFAOYSA-N 380.404 1.195 50 40 GDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cc(O)c(O)c(Cl)c1 8107935 IAELNQQWHXFIGX-CAOOACKPSA-N 383.813 1.180 50 40 GDGB Cc1ccc(C(=O)NNC(=O)CN(C)Cc2ccccc2N2CCOCC2)cc1 15038554 ZRLLYZWKOWHXNF-UHFFFAOYSA-N 396.491 1.725 50 40 GDGB Cc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N\NC(=O)C(N)=O)cc1C 17195784 YOGIWKZIZBVCAT-HZHRSRAPSA-N 388.468 1.985 50 40 GDGB O=C(O)c1ccccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 408676719 BGSAZHWIQYHQIO-RFCWUQKJSA-N 380.194 1.894 50 40 GDGB CCOC(=O)C(=O)NCc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1 408834070 KZHMNTVUROYSDB-GDNBJRDFSA-N 381.388 1.682 50 40 GDGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1)Nc1ccc(F)cc1 409264752 PWLXQPQMEKAEJC-SSDVNMTOSA-N 398.394 1.572 50 40 GDGB CN(C)N(C(=O)COc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 5298353 BORDZMRTQQYOBR-LLVKDONJSA-N 381.281 1.865 50 40 GDGB CCCOc1ccc(/C=N/NC(=O)CC(=O)NCCCOC)cc1OCC 59459654 WLVYGIQCAVXSNJ-KGENOOAVSA-N 379.457 1.867 50 40 GDGB