smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)O)cc2)cc1 59678576 UOLAQYQHIQBCBB-IZCBMXNHSA-N 380.400 3.483 50 40 GGGB N#C/C(=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(N)=O 408763480 FSOSLHLZBSNPAM-KPKJPENVSA-N 390.226 3.403 50 40 GGGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)c(C)c1 12754562 ONDMXEFWZGPEPA-CYBMUJFWSA-N 391.265 3.294 50 40 GGGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)c(Cl)c3)[C@@H]2C1 4730567 MMDTVRCLFDDTRG-PBHICJAKSA-N 384.270 3.349 50 40 GGGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccccc3Cl)CC2=O)cc1 6962942 XBQVSDZXEXMDTD-HJGVYBFFSA-N 385.851 3.242 50 40 GGGB CCCCn1c(=O)c(C(=O)N/N=C/c2cccc(F)c2)c(O)c2ccccc21 100534737 MHZHPTOEXQNIOA-YDZHTSKRSA-N 381.407 3.410 50 40 GGGB CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 59101832 ZPEUUOOESWAWFJ-KEBDBYFISA-N 380.231 3.481 50 40 GGGB COC(=O)c1sccc1NC(=O)/C(C#N)=C1\C(=O)Nc2ccc(Cl)cc21 61719433 IIUCONWRVXYUNA-RAXLEYEMSA-N 387.804 3.056 50 40 GGGB O=S(=O)(C[C@H](Cl)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 3133859 FGQBUPUUNXOMSM-CQSZACIVSA-N 379.286 3.153 50 40 GGGB Cc1cccc(C)c1OCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1O 6069885 HNCAFKMIRIVCHE-WSDLNYQXSA-N 378.432 3.032 50 40 GGGB CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408609760 LHUDWBGFCYGTRH-LSHDLFTRSA-N 394.258 3.159 50 40 GGGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 16694008 PUGHPOIPTHGZMK-YBEGLDIGSA-N 382.803 3.185 50 40 GGGB CC1=CC(C)(C)N2C(=O)/C(=N\NC(=O)COc3ccccc3)c3cccc1c32 101125203 NMIIWRVUYMEZJW-CLCOLTQESA-N 375.428 3.128 50 40 GGGB O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1cccs1 3117730 MMSWRSDEMFNZTI-LICLKQGHSA-N 380.267 3.380 50 40 GGGB C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccco1 5119743 QVRBUEPWMDAGJS-LDADJPATSA-N 389.458 3.296 50 40 GGGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(O)cc2O)c(Br)c1 4724248 MWSYZPMUCPOPFE-UWVJOHFNSA-N 393.237 3.006 50 40 GGGB Cc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(C)n1-c1nccs1 7785933 NRKXDXIQPIHIEU-AQXNZCSYSA-N 393.472 3.340 50 40 GGGB Cc1cccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)c1 8767644 HCIYTAVOJOZXNF-CIAFOILYSA-N 393.472 3.100 50 40 GGGB C=CCn1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21 409365652 RGQCRXMBYJNGER-OEAKJJBVSA-N 375.428 3.291 50 40 GGGB CCC(=O)NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 408998657 BRRTWYRRWIKLMM-UHFFFAOYSA-N 380.231 3.417 50 40 GGGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)o1 44393800 CKIMYTSHAFPYMA-SSDVNMTOSA-N 392.367 3.226 50 40 GGGB O=C(COc1ccc(/C=N/NC(=O)c2ccco2)cc1)Nc1ccc(F)cc1 1102913 NIKHLGWMDUYKJU-WSDLNYQXSA-N 381.363 3.200 50 40 GGGB COc1ccc(C(=O)[C@@H](Br)CS(=O)(=O)c2ccc(C)cc2)cc1 1563783 MJUHOZYYOLAOCJ-INIZCTEOSA-N 397.290 3.424 50 40 GGGB in-vitro O=C(CCl)Nn1c(-c2cccs2)nc2sc3c(c2c1=O)CCCC3 3227223 LDVHOQKSRASCKV-UHFFFAOYSA-N 379.894 3.374 50 40 GGGB Cc1ccc(CNC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)cc1 6476440 QLBJOFLPEKKVBX-GOSISDBHSA-N 391.496 3.383 50 40 GGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(OC)c1 4702979 UJNDLOZMHLICMJ-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1cccc(Br)c1 9668308 SETWIFASMLOIJD-RGVLZGJSSA-N 399.248 3.413 50 40 GGGB CC(C)N1CC=C2[C@@H](C1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 20026560 QRXQVBGVCNDBEU-APWZRJJASA-N 377.879 3.474 50 40 GGGB O=C(NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1ccccc1 41105665 FSGZBPFOOQSREQ-UHFFFAOYSA-N 379.652 3.270 50 40 GGGB O=C(NNC(=O)c1cccnc1O)c1ccccc1OCc1ccc(Cl)cc1 12940863 JQRMUFOHTFOZSM-UHFFFAOYSA-N 397.818 3.094 50 40 GGGB COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1Br 4566766 FNZMBTWUUAWSFS-GIJQJNRQSA-N 379.258 3.242 50 40 GGGB N#CC1=C(N)Oc2c(Br)cc(Br)cc2[C@H]1C(C#N)C#N 1323849 VKCYCRDGBNCMSB-LLVKDONJSA-N 394.026 3.045 50 40 GGGB C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccccc4)c(=O)c23)C1 958195 VTZUKQPXBMJLJE-IKQHDFMGSA-N 394.500 3.294 50 40 GGGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 1097170 GEHQTACWKLKPPE-ZVHZXABRSA-N 375.407 3.318 50 40 GGGB COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1 809405 LFTXSWWQZDJWQF-KRWDZBQOSA-N 376.368 3.028 50 40 GGGB Cc1cc(C)cc(OCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c1 1800466 TUQRUZMXQIGQQJ-UHFFFAOYSA-N 384.476 3.340 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2ccccc2C)n1 6969394 CVVHUFFJPKGXMS-CIAFOILYSA-N 379.489 3.435 50 40 GGGB CC/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc(OC)c(OC)c1 20986523 DEXZEKABGLMFLT-PXLXIMEGSA-N 388.493 3.133 50 40 GGGB C[Si](C)(C)O[Si](C)(CCCO[C@H]1CCS(=O)(=O)C1)O[Si](C)(C)C 223561731 ZPHKQMDILPHBJF-AWEZNQCLSA-N 398.746 3.355 50 40 GGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408606763 AVBYFLUVQQYIEQ-LVCXCXRVSA-N 387.867 3.284 50 40 GGGB O=C(CCc1ccsc1)NNC(=O)COc1ccccc1Cc1ccccc1 14240116 BWSDJNICIGQAAQ-UHFFFAOYSA-N 394.496 3.498 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2O[C@H](C)C(=O)O)cc1 409251167 TULPGRGMUUPKPB-LKKYZFDUSA-N 396.399 3.101 50 40 GGGB O=C(CNc1ccccc1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 101661330 GJSOWPPRNQLTFV-XTCLZLMSSA-N 384.439 3.166 50 40 GGGB C[C@H](Cc1ccccc1)NNC(=O)C(O)(Cc1ccccc1)Cc1ccccc1 877993 RWLUQJBRWKOKHC-HXUWFJFHSA-N 388.511 3.455 50 40 GGGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccc(OCC)cc2)c2ccccc21 20764132 LDSPPJHJAOPQOI-YDZHTSKRSA-N 393.443 3.367 50 40 GGGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC)c(OC)c2)cc1OC 409302153 HSQFBCPTHQZQTQ-HMAPJEAMSA-N 384.432 3.431 50 40 GGGB CCCN1CC=C2[C@H](C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 33936198 INJLUPRJKXNPGW-QFBILLFUSA-N 377.879 3.475 50 40 GGGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2ccccc2O)o1 34890019 GPILBFKXDDYKEU-JAIQZWGSSA-N 381.344 3.333 50 40 GGGB CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)COc1ccc(C)cc1[N+](=O)[O-] 4887960 XPZFUHFSRMPYCH-ZSSNEIALSA-N 397.387 3.216 50 40 GGGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cccn2-c2cccc([N+](=O)[O-])c2)c1 6363472 SZQBKBBLVWKOQU-FYJGNVAPSA-N 391.387 3.108 50 40 GGGB Cc1ccc(OCC(=O)N/N=C\c2cc(Cl)cc([N+](=O)[O-])c2O)c(C)c1 13955339 IUFBSONUGFISNJ-UWVJOHFNSA-N 377.784 3.100 50 40 GGGB O=C(CCn1cnc2ccccc21)N/N=C\c1cc(Br)ccc1O 30742705 HUAGRKOTPRLKDY-JMIUGGIZSA-N 387.237 3.045 50 40 GGGB Cc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 31858953 NJASGJLDWRWAAO-YQQIGLNXSA-N 394.500 3.357 50 40 GGGB COc1cc(N2N=C(C)/C(=C/NNC(=O)c3cccc(C)c3)C2=O)ccc1Cl 408526652 BXLQBNQCOKJJIC-WJDWOHSUSA-N 398.850 3.198 50 40 GGGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccccc1O 408980293 QIOVOMDFQRQBHC-WEKPXBEKSA-N 387.439 3.404 50 40 GGGB NC1=N/C(=N\NC(=O)c2cc(-c3ccco3)nc3ccccc23)c2ccccc21 3372922 AVOSSDUQWPXLBO-UHFFFAOYSA-N 381.395 3.305 50 40 GGGB Cc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 408534058 UQTDDVCQNLBFLU-LSFURLLWSA-N 380.326 3.484 50 40 GGGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])o1 408599293 SBABDCILCLLSLG-CIAFOILYSA-N 393.355 3.405 50 40 GGGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccccc2I)n1 409388668 VLRFLMZLMKACAK-MDWZMJQESA-N 377.185 3.352 50 40 GGGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 58882920 PLJVVCXGTVMMNG-CFRMEGHHSA-N 391.427 3.047 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCc1ccccc1 408609844 LSNSCTWDLAFUNP-BRABVMKYSA-N 397.475 3.029 50 40 GGGB Nc1nc2ccc(C(=O)NNC(=O)CSc3ccc(Cl)cc3)cc2s1 8192158 PPDQINFXNYVXAZ-UHFFFAOYSA-N 392.893 3.085 50 40 GGGB COc1cccc(C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c1OC 15835643 NVQLTVDEJCKEEZ-UHFFFAOYSA-N 393.443 3.186 50 40 GGGB CCCCn1c(=O)c(C(=O)N/N=C/c2ccc(F)cc2)c(O)c2ccccc21 100498553 CDINOOWEFXALQI-YDZHTSKRSA-N 381.407 3.410 50 40 GGGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccccn2)cc1OC 54278214 QHWQCZDMDUUUFF-RGVLZGJSSA-N 390.237 3.181 50 40 GGGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1ccccc1Cl 645926 WYXGTYCNDVTXCI-UHFFFAOYSA-N 385.917 3.323 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2O)c(OC)c1 27528188 FNKCICUYLGVDPO-VXLYETTFSA-N 393.237 3.326 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c([N+](=O)[O-])cc1OC 8107459 ROAKNYZDGIXZPW-LPYMAVHISA-N 393.399 3.458 50 40 GGGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC3)=C2C#N)cc1 6454092 OQQUWRMONQMSSG-HNNXBMFYSA-N 387.530 3.103 50 40 GGGB Cc1c(/C=C(\C#N)C(=O)NCc2coc(-c3cccs3)n2)cc(C#N)n1C 25674789 BMWWSTCEJJSUQB-MKMNVTDBSA-N 377.429 3.145 50 40 GGGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 36074003 BZPQYRINILFPFL-CAOOACKPSA-N 388.430 3.153 50 40 GGGB Cn1cc(/C=N/NC(=O)[C@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)cn1 6393167 YGSGGFXCWOMNJM-JUIYZWQYSA-N 378.480 3.357 50 40 GGGB COc1cccc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1OC 4735357 UEOWTUZZFJXMDJ-YBFXNURJSA-N 377.238 3.159 50 40 GGGB COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccccc1 9108779 QTUAUNVUVCABIP-MSOLQXFVSA-N 378.453 3.358 50 40 GGGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(OC)c1 408816498 UWHRFPHSSHUHTL-WOJGMQOQSA-N 398.434 3.473 50 40 GGGB Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3083963 QEINHAOVTXOUGQ-RGVLZGJSSA-N 388.811 3.426 50 40 GGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)OC)cc2)cc1 2727031 OHSMHAPXMARRBI-SFQUDFHCSA-N 378.384 3.196 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)c(C)n1-c1cccc(Cl)c1 58912539 UFVASQFUTLRHBC-LPYMAVHISA-N 386.883 3.210 50 40 GGGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/N=C(\N)c1ccccn1 4116999 MTAPQRAOQHPPRQ-YDZHTSKRSA-N 378.307 3.413 50 40 GGGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)c1 18170031 RKLHUCSSFDLVPD-RWEWTDSWSA-N 399.450 3.441 50 40 GGGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCC(N)=O 408570252 TVQCKGMKAYOVEG-QPEQYQDCSA-N 380.379 3.029 50 40 GGGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)N3CCOCC3)c2c1 408783979 PWQRNZAVAODPHH-LGMDPLHJSA-N 380.444 3.403 50 40 GGGB COc1ccc(/C=N\NC(=O)c2ccco2)cc1Oc1nc(Cl)ncc1F 409063126 HLOJZBVPCJGIQH-WNFQYIGGSA-N 390.758 3.427 50 40 GGGB CCOc1ccc(N[C@H](C)C(=O)N/N=C(\C)c2ccc(OC)cc2OC)cc1 695512 QZBUTBWYYQQHAD-QKIXXSFTSA-N 385.464 3.443 50 40 GGGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(C)ccc1O 1433709 DURTWSUFUDTUOF-DJKKODMXSA-N 393.237 3.001 50 40 GGGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(N4CCOCC4)cc3)cc2c1 685558 KAOYRUIXTLIZPG-BUVRLJJBSA-N 388.471 3.452 50 40 GGGB COc1ccc(OC)c([C@@H]2NC(=O)C(C#N)=C(S)N2c2cccc(C)c2)c1 818281 BKPPOVHKPXUVFA-GOSISDBHSA-N 381.457 3.312 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(C)cc2C)c1 4894829 ZCFJEUCLWZVEIR-HZHRSRAPSA-N 383.448 3.455 50 40 GGGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccccc1O 6971586 WKPLAABDSBNWOX-SRZZPIQSSA-N 378.344 3.252 50 40 GGGB C[C@@H](C(=O)N/N=C/c1ccccc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 4367735 VTZUKQPXBMJLJE-POBAFWRXSA-N 394.500 3.294 50 40 GGGB O=C(N/N=C\c1ccc(O)cc1O)c1cc2cc(Br)ccc2o1 83330604 TTXWQWYTYCFKLT-LSCVHKIXSA-N 375.178 3.370 50 40 GGGB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(SC#N)cc3)C2=O)cc1 95471509 SUOZNQNGEROZFO-YBEGLDIGSA-N 378.413 3.147 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)cc1 12362566 SIHOORCNCJOWSY-KGENOOAVSA-N 393.403 3.002 50 40 GGGB O=C(CCl)N[C@@H](Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O 12376547 AHLXYBMYSMXNBD-SFHVURJKSA-N 386.835 3.098 50 40 GGGB biogenic,in-vitro COC(=O)[C@H](Br)[C@H](Br)c1ccc(OC)c(OC)c1 1673141 VUQXQDMEVQHEDS-GHMZBOCLSA-N 382.048 3.076 50 40 GGGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1Br 6345779 QWSMDLIZISJWPO-DEDYPNTBSA-N 388.265 3.050 50 40 GGGB CC1CCN(C(=O)/C(C#N)=C/c2cc(Br)cc([N+](=O)[O-])c2O)CC1 3771971 QUMDLBRLMRIZOE-WUXMJOGZSA-N 394.225 3.228 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)c1c(C)nc2ccccn12 6210496 YMZQZLKUBHCSFI-VXLYETTFSA-N 387.237 3.178 50 40 GGGB N#CC1=C2SCN(Cc3cccnc3)CN2C(=O)C[C@H]1c1ccc(F)cc1 20348035 VCJDDSPIGSQKBK-KRWDZBQOSA-N 380.448 3.436 50 40 GGGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 663130 WYOYBAUZEAFYCY-QGZVFWFLSA-N 380.448 3.031 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1OCC 7869471 XWGRGBJOYWGYBW-HYARGMPZSA-N 383.448 3.271 50 40 GGGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3nnc(N)s3)o2)cc1Cl 724167 UNCSIJFZRIFZBI-UFWORHAWSA-N 375.841 3.035 50 40 GGGB CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4cc(O)ccc43)c3cccc1c32 1460208 KAVKFLFQNFYHGR-HSZRJFAPSA-N 385.423 3.307 50 40 GGGB COc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)cc1OC 15933958 VFGOAMQDCXKICK-UHFFFAOYSA-N 381.388 3.029 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC)cc1)c1ccccc1 408982509 YFHRCFCGBPJOHR-OMNSNBSWSA-N 383.448 3.413 50 40 GGGB COc1ccc(C(=O)NN(C)c2nc(C(F)(F)F)nc3ccccc23)cc1 3104618 VBOLPZQEPKDPOJ-UHFFFAOYSA-N 376.338 3.438 50 40 GGGB O=C(NCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 6529530 SRMAKHXMVSNCHS-PCLIKHOPSA-N 387.439 3.032 50 40 GGGB CCCOc1c(Br)cc(Br)cc1/C=N/NC(N)=O 2102836 CCKIBMONVRGUIW-GIDUJCDVSA-N 379.052 3.003 50 40 GGGB Cc1cc(C)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCC3)c(C)c1 12753518 NREBZLMDAXAPQA-UHFFFAOYSA-N 378.519 3.175 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(C)cc1 16739388 UIVJCOOOGZTDRC-SBOLGIJOSA-N 391.496 3.476 50 40 GGGB CCc1noc(C)c1C(=O)OCC(=O)/C(C#N)=C1/Sc2ccccc2N1C 96851305 KADLEXKIMAZFNX-LDADJPATSA-N 383.429 3.249 50 40 GGGB C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(Cl)cc1 408913945 VJLOPOYWQBXGQY-ZXOFLVKFSA-N 393.896 3.035 50 40 GGGB N#CC1=C(N)Oc2nc(SCc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccccc1 5130381 YWYMYEIXIACBON-MRXNPFEDSA-N 388.452 3.280 50 40 GGGB COc1ccc(C(=O)NNC(=O)CSc2cc(C)c3ccccc3n2)cc1 898588 XIFADHVQQLIKIH-UHFFFAOYSA-N 381.457 3.105 50 40 GGGB Cc1cc(C)nc(NNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)n1 32933191 GYYMFCWDMUPXFO-AWEZNQCLSA-N 382.493 3.063 50 40 GGGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccccc1Cl 725434 VZHQMHIXZYLWQW-RGVLZGJSSA-N 399.863 3.137 50 40 GGGB CN1[C@H]2C=C3[C@@H]([C@@H](c4ccc(Cl)cc4)C(C#N)=C(N)C3(C#N)C#N)[C@H]1CC2 103401443 WTQHZNHXIRISHF-DQEVTTJGSA-N 375.863 3.226 50 40 GGGB COc1ccc(CCNC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1OC 3239420 TUILNBSQPQKORT-FOWTUZBSSA-N 375.428 3.451 50 40 GGGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 2218509 WAGLCMXHFHQNRR-GOSISDBHSA-N 377.375 3.155 50 40 GGGB CCOC(=O)NNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 7984591 BSIXSZNPRYUXRZ-ZHACJKMWSA-N 382.445 3.391 50 40 GGGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1O[C@H](C)C(=O)O 409234653 OLQDDSKUWGYQFG-XTCQQWIJSA-N 384.363 3.232 50 40 GGGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cccnc1 2353403 HZJJUKVYCGGFJN-UBKPWBPPSA-N 399.042 3.076 50 40 GGGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cccc(Cl)c1 114390475 RMKBJYYLSNYKMT-REZTVBANSA-N 398.600 3.480 50 40 GGGB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(O)cc2)N2NC=C(C#N)C2=N1 13569780 XTWGCHAVOGHHOR-HXUWFJFHSA-N 385.427 3.294 50 40 GGGB CCOc1ccc(C(=O)N/N=C(\C)c2cc(Br)c(O)cc2O)cc1 20765112 PMPNXLOISYEANV-VXLYETTFSA-N 393.237 3.413 50 40 GGGB O=C(N/N=C/c1cccs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409004827 DZQQMUUCXSXIDC-UDWIEESQSA-N 375.881 3.404 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCCC3)c2C)cc1 408986605 RFZXWHLSFILOES-HZHRSRAPSA-N 380.492 3.255 50 40 GGGB O=C(N/N=C/c1ccccc1F)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 5636517 LCNJMWMTLGMGLG-LPYMAVHISA-N 384.411 3.096 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)ccc1O 6189254 HUQLWZUOLVEHIC-WSDLNYQXSA-N 378.432 3.026 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1O 59104407 QXIVCSKWZMCHTL-SXGWCWSVSA-N 391.427 3.157 50 40 GGGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccccc1 100547656 CTMOORJHJLZVLO-WRWGMCAJSA-N 387.071 3.113 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(C(=O)OC)cc1 3252300 XELGOEJECKFDLU-CPNJWEJPSA-N 376.412 3.261 50 40 GGGB CC(C)CCOc1ccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)cc1 3303478 MEDVPSZRZNBYLU-SSDVNMTOSA-N 382.386 3.477 50 40 GGGB CCOC(=O)[C@]1(C#N)C(C#N)=C(N)C2=CCCC[C@H]2[C@H]1c1ccccc1OC 6187234 UCFGJXURHIVFAH-YFYZNPQRSA-N 377.444 3.328 50 40 GGGB CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2C)c2ccccc21 5267378 XIWVBOAHLULAJC-VXPUYCOJSA-N 386.455 3.336 50 40 GGGB CC[C@@H]1CCc2sc(C(=O)N/N=C/c3ccccc3OCC(=O)O)cc2C1 4952009 XKJFKBFKJZSJDE-SRRANQMSSA-N 386.473 3.490 50 40 GGGB COc1ccc(CCN2C(=O)C=C3CCC[C@@H](Br)[C@]32OC)cc1 1547139794 WIJUQHDWHSDZJJ-SJLPKXTDSA-N 380.282 3.296 50 40 GGGB COc1cccc(/C=C2/SC(=S)N(CC(=O)NNc3ccccc3)C2=O)c1 5214258 VBLWEMXYZXRUGS-LFIBNONCSA-N 399.497 3.040 50 40 GGGB CCOc1ccc2[nH]c(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)cc2c1 2434294 VHBRCVWXENXIIW-WSDLNYQXSA-N 397.431 3.356 50 40 GGGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)c1 3409808 MPYKBJYXMRXTTD-UHFFFAOYSA-N 394.427 3.065 50 40 GGGB C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1Br)c1cccs1 4614983 HNPLOIQIRVTSGI-CXUHLZMHSA-N 398.238 3.338 50 40 GGGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OC)c1 6210024 HUIQWBACWJWKFJ-CPNJWEJPSA-N 380.444 3.334 50 40 GGGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 7409365 NZIZYMZIYZFSKB-UHFFFAOYSA-N 383.473 3.026 50 40 GGGB CC(C)=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 19926162 SXQJVEMDPFCEMA-UHFFFAOYSA-N 393.896 3.356 50 40 GGGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1)C(=O)O 59249794 UTDSOZYLXGSPAN-VURRPDKYSA-N 391.221 3.065 50 40 GGGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1cccc(Br)c1 408739465 CBDKOIWAVXEQBX-MBTVCVBTSA-N 399.248 3.204 50 40 GGGB CC(C)Cn1c(SCC(=O)NNC(=O)c2ccccc2)nc2ccccc21 6516230 XBMDMQQEJUONTA-UHFFFAOYSA-N 382.489 3.246 50 40 GGGB O=C(COc1ccccc1)N/N=C\c1cc(Br)cc(Cl)c1O 4724624 GHGQSMMYBAOQHR-LSCVHKIXSA-N 383.629 3.337 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c([N+](=O)[O-])cc1OC 409221656 UKLOWVCLDWXJJK-BOPFTXTBSA-N 395.415 3.268 50 40 GGGB CCn1c(C)nc2cc(C(=O)NNC(=S)Nc3ccc(OC)cc3)ccc21 13686129 LNJPSJOYXCSRLG-UHFFFAOYSA-N 383.477 3.005 50 40 GGGB CCOC(=O)[C@@](NC(=O)CCl)(Nc1ccc(F)c(Cl)c1)C(F)(F)F 3103201 JDSIJGHRGSYAOH-LBPRGKRZSA-N 391.148 3.068 50 40 GGGB CCCCCCC(=O)NNC(=O)Cc1nnc(NC(=O)CCCCCC)s1 6273253 KVXCRPSYEBEZCR-UHFFFAOYSA-N 397.545 3.107 50 40 GGGB COc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(C#N)cc3)o2)cc1 409021363 DHCDGRJAPBJIIW-QRVIBDJDSA-N 375.384 3.356 50 40 GGGB O=C(NCc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccccc1Cl 4199151 XYLXVGBQMKMRDT-ZVBGSRNCSA-N 384.650 3.413 50 40 GGGB Cc1ccc2c(CSC3=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N3)cc(=O)oc2c1 5297362 PYDUXXIOFVTQTL-AWEZNQCLSA-N 379.441 3.366 50 40 GGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc([N+](=O)[O-])c1O 4720872 UAFGSFPKOUCPQK-CNHKJKLMSA-N 384.175 3.136 50 40 GGGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc([N+](=O)[O-])o1 408569470 NZYYCCZTMIFBOM-RQZCQDPDSA-N 393.446 3.196 50 40 GGGB C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)/C=C/c3ccccc3)cc2C1 7403172 LLHVAAHMJBMSDI-WTNCMQEWSA-N 376.503 3.108 50 40 GGGB N#C/C(=C\c1ccc(OCCN2CCOCC2)cc1)C(=O)Nc1ccccc1F 15934328 ZBKCAMBXRWKIKG-OBGWFSINSA-N 395.434 3.082 50 40 GGGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1N1CCOCC1 408541214 FHNPDKXMYOJHPK-PDGQHHTCSA-N 391.427 3.076 50 40 GGGB Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)Nc1ccccc1 4994039 AKFMNZLEBAOTMS-UHFFFAOYSA-N 390.896 3.385 50 40 GGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 6614558 ONUWVIABUVLGAK-WSDLNYQXSA-N 391.383 3.367 50 40 GGGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 58911451 QQWDMSFKFFEDKB-LSHDLFTRSA-N 393.274 3.153 50 40 GGGB Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2219956 XWLZRDCUAMXCOP-MAUKXSAKSA-N 397.862 3.207 50 40 GGGB COc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1 409006548 OVOLYQXSDMKIJT-OEAKJJBVSA-N 399.878 3.351 50 40 GGGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C1/CCCCc2ccccc21 6369116 DFCOCFIKQCVNIU-BZZOAKBMSA-N 390.531 3.446 50 40 GGGB COc1ccccc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 6448663 UFKOOIDREZJKCR-UHFFFAOYSA-N 376.412 3.202 50 40 GGGB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NNC(=O)C12CC3CC(CC(C3)C1)C2 4738910 RLMPQXDKTUYKHL-MOSHPQCFSA-N 392.503 3.439 50 40 GGGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC 408996411 IFHPSGCVDDMBDI-LPYMAVHISA-N 383.448 3.090 50 40 GGGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(I)o2)c1 409364136 NEZPWAVQBWHMPZ-RQZCQDPDSA-N 382.201 3.194 50 40 GGGB C=CCOc1ccccc1/C=N/NC(=O)NNCc1ccccc1OCC=C 33680229 LMIHXHKPXFPRIW-PXLXIMEGSA-N 380.448 3.154 50 40 GGGB COc1cccc(C(=O)N/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)c1 8334516 GZVLOMQZGGQDFD-OEAKJJBVSA-N 390.443 3.261 50 40 GGGB CCOC(=O)Cn1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)c2ccccc21 100386251 XZPDPWNNEDERAU-BUPILYECSA-N 381.476 3.481 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1OCC 4499498 PQYHIHYWGJUBGS-LPYMAVHISA-N 387.411 3.102 50 40 GGGB Cc1cccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)c1 20060317 IDVMGCSVJAEJAI-HYARGMPZSA-N 395.484 3.065 50 40 GGGB CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(=O)CCl)ccc3OCC)nc12 77285660 UOJGGFDIPKRVTP-UHFFFAOYSA-N 388.855 3.096 50 40 GGGB in-vitro O=C(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)NCCc1ccccc1 4199139 RRQBDWLCPQPUNF-WSDLNYQXSA-N 378.259 3.193 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OC)c1OC 7384978 XFQWLWMIXDWABT-HYARGMPZSA-N 383.448 3.077 50 40 GGGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 101738873 MQLBQMFOFQRMHM-UUYOSTAYSA-N 396.399 3.147 50 40 GGGB O=C(N/N=C/c1cccc(Br)c1)c1cncc(Br)c1 889217 DFDUEXFWUGQIEC-UBKPWBPPSA-N 383.043 3.371 50 40 GGGB CC(C)c1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3)C2=O)cc1 6782282 BJZDVYXOSMBDAW-ATVHPVEESA-N 392.415 3.052 50 40 GGGB COC(=O)[C@H]1C(=O)NC(SCc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1 409125839 FJXOUFOXGYQTOX-QZTJIDSGSA-N 396.443 3.497 50 40 GGGB CCOc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1O 409232901 IYMXAPKRSMFSDZ-LWLPBDFMSA-N 381.388 3.483 50 40 GGGB O=C(N/N=C\c1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 33906501 TYQBTRPGPZBUJC-PXNMLYILSA-N 393.153 3.029 50 40 GGGB Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1NC(=O)c1ccccc1 8334510 OXMMXYHHFXJNDV-YDZHTSKRSA-N 378.407 3.392 50 40 GGGB O=C(CCc1ccccc1Cl)NNC(=O)c1ccccc1Br 10458986 SUUQDKWXEOSLRF-UHFFFAOYSA-N 381.657 3.496 50 40 GGGB CN(C)S(=O)(=O)c1cccc(C(=O)NN(c2ccccc2)c2ccccc2)c1 6275023 USFVFSJJUVYGKW-UHFFFAOYSA-N 395.484 3.420 50 40 GGGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccnc1 6997079 BXLVKTUNCSBYAJ-UDWIEESQSA-N 389.253 3.103 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(N)=O 409210783 GRZDFRNMIHJNRF-ZROIWOOFSA-N 399.834 3.148 50 40 GGGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1 8103033 MMEBOQCIJFAQLQ-CIAFOILYSA-N 393.355 3.405 50 40 GGGB O=C(CCl)N1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1 1377041 ODVLAVJCXRKWIC-UHFFFAOYSA-N 390.940 3.335 50 40 GGGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccccc2)c2ccccc21 6630316 VFCQSBFIHTYQCP-OEAKJJBVSA-N 377.444 3.206 50 40 GGGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](O)c1ccccc1 59502279 XCVTXCSKAJEAJA-XNHPLOEXSA-N 389.249 3.198 50 40 GGGB COc1ccccc1NCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 6297833 ZZMCIQQRWROYTH-FSJBWODESA-N 397.866 3.405 50 40 GGGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc(N4CCOCC4)s3)ccc21 6319811 JKHNYKSIXWCFAD-FYJGNVAPSA-N 397.504 3.027 50 40 GGGB C[C@H](SC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1)C(=O)Nc1ccccc1Cl 7693160 FJLJRYJSNWXEGG-WDEREUQCSA-N 388.880 3.431 50 40 GGGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccccc1-n1cccc1)OCO2 409107959 YXMCWRFQUMPVTH-XKZIYDEJSA-N 377.400 3.369 50 40 GGGB CCN(CCCNC(=O)NNC(=O)c1cn(C)c2ccccc12)c1ccccc1 32795523 ABLLDPZGGHYOHS-UHFFFAOYSA-N 393.491 3.039 50 40 GGGB CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cccc(C(=O)OC)c3)o2)C1=O 30760483 ANSBYMWSFXNGBV-GZTJUZNOSA-N 390.395 3.345 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Cn1cc(Cl)cn1 695443 SNYIUBGWQKBXMR-ZVBGSRNCSA-N 384.823 3.063 50 40 GGGB CC(=O)Oc1ccc(OC(C)=O)c(CBr)c1CBr 1583525 GNAWRMSVTTZFPO-UHFFFAOYSA-N 380.032 3.327 50 40 GGGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1504111 CQUDGQWJZLHKGJ-HYARGMPZSA-N 385.464 3.323 50 40 GGGB CSc1ccc(NC(=O)NN(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 6425398 FHIBCIQUVYQGEG-MRXNPFEDSA-N 391.518 3.139 50 40 GGGB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)c1cccs1 103918391 NVDLBQAZINJUTP-AQTBWJFISA-N 398.488 3.468 50 40 GGGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1C 4132000 CCMGVTJCSPJAMZ-DNTJNYDQSA-N 391.811 3.408 50 40 GGGB CCOC(=O)c1ccc(N/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 9419215 RCZRCBNAXGGEDK-FDIDITGRSA-N 381.432 3.166 50 40 GGGB Cc1nn(C)c(C)c1NC(=O)/C(C#N)=C/c1c(O)ccc2cc([N+](=O)[O-])ccc12 4520451 XQFMFYSZMZLNPD-NTEUORMPSA-N 391.387 3.350 50 40 GGGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc2ccccc2c1 409244327 BBOFRXSFEPZCRC-LFVJCYFKSA-N 389.455 3.449 50 40 GGGB CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Cl)cc4)[C@H]3[C@H]1CC2 5386602 VQFVQSKBUXDLQC-PIKADFDJSA-N 375.863 3.226 50 40 GGGB O=C(CN1CCCC1)NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 12776250 TXRPYUZTSDZMSH-UHFFFAOYSA-N 381.867 3.489 50 40 GGGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(F)(F)F)cc3)[C@@H]2C1 16034295 QWUAEBAKFDUVOW-QZTJIDSGSA-N 397.404 3.451 50 40 GGGB COc1ccc2nc(/C=N/NC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)ccc2c1 2414994 FAXBZXUXCWXEDI-MNOULKQQSA-N 398.463 3.093 50 40 GGGB COc1cc(C(=O)NNC(=S)Nc2ccc(C)cc2)ccc1OC(F)F 652976 ABWSKRUIVNWHLZ-UHFFFAOYSA-N 381.404 3.236 50 40 GGGB C#CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1Cl 4541091 JVHBGIIQBJJGOG-AWEZNQCLSA-N 375.215 3.255 50 40 GGGB CCOc1cc(C(=O)NN=C2CCN(C(C)C)CC2)cc(OCC)c1OCC 5463685 DPUBEJDLGAXWNZ-UHFFFAOYSA-N 391.512 3.473 50 40 GGGB COc1ccccc1NC(=O)N/N=C\c1ccccc1I 408552748 VAYZJVQZOHUVFM-YVLHZVERSA-N 395.200 3.455 50 40 GGGB COc1cc(/C=N/NC(N)=O)c(Br)cc1OCc1ccccc1F 409081406 OYIJHLYQTUXOMN-DNTJNYDQSA-N 396.216 3.178 50 40 GGGB CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)cc(Br)c1O 30803001 KNZDVZXWMDMULB-UWVJOHFNSA-N 378.226 3.021 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1N(C)C 1735348 LYVKIRPWBQWRFQ-YBFXNURJSA-N 376.254 3.288 50 40 GGGB COc1ccccc1-c1cc(C(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)[nH]n1 4980306 PFQHJNYOZHRENA-NDENLUEZSA-N 379.376 3.148 50 40 GGGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccco2)cc1 59166668 YIMOGAFKUJHHRB-DEDYPNTBSA-N 384.413 3.120 50 40 GGGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccc(Cl)cc1Cl 5006425 RAOCYEUEKUNJMA-UHFFFAOYSA-N 380.231 3.173 50 40 GGGB O=C(CCSc1ccc2ccccc2n1)N/N=C1\C(=O)Nc2ccccc21 5478125 QGLIMIGXMLIXTA-UHFFFAOYSA-N 376.441 3.190 50 40 GGGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1cccs1 408881924 OHEUFSGRCQVIQM-LDADJPATSA-N 399.925 3.016 50 40 GGGB Cc1noc(C)c1COc1ccccc1C(=O)NNC(=O)c1ccc(F)cc1 32975863 XYKLMCCQUUKJBF-UHFFFAOYSA-N 383.379 3.084 50 40 GGGB O=C(NNc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 30610321 XAERMVBALKYTHJ-UHFFFAOYSA-N 375.831 3.475 50 40 GGGB COc1cc(OC)c(/C=C(\C#N)C(=O)NCc2ccco2)cc1Br 4196106 IMJIOJBMEYZATF-WUXMJOGZSA-N 391.221 3.283 50 40 GGGB O=C(N/N=C/c1cccs1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 409157189 HYBQBGRCFXJUFN-KECVIQKOSA-N 392.278 3.014 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccccc2F)cc(Br)c1O 5711668 GRFCOUMLTNTFMP-DJKKODMXSA-N 381.201 3.456 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccccn3)c2C)n1 409252871 UHMJOGVSDVCFPS-SSDVNMTOSA-N 394.504 3.138 50 40 GGGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408794152 HRMJICDETPQPSI-LICLKQGHSA-N 394.427 3.410 50 40 GGGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 409008645 ZFYRALMNQRUPJD-WSDLNYQXSA-N 392.367 3.036 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)nc1 34716546 YCQRIEXVAFFYNG-QRVIBDJDSA-N 391.431 3.399 50 40 GGGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccccc2F)c(Br)c1 40140318 XOBDCIXWKMQQCA-LLVKDONJSA-N 395.228 3.125 50 40 GGGB CCN1c2ccccc2C2=C([C@@H](c3ccccc3)C(C#N)=C(N)O2)S1(=O)=O 20558377 HIHLMIAEDCCKQO-KRWDZBQOSA-N 379.441 3.033 50 40 GGGB Cc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] 59332912 CLCAMBOZQDZIMV-AQTBWJFISA-N 376.416 3.159 50 40 GGGB C/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(NC(=O)C(F)(F)F)c1 4398106 OORGWODCWATRNJ-YVNNLAQVSA-N 394.309 3.250 50 40 GGGB COC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 4600088 YFHUBUDWVLPDEB-VCHYOVAHSA-N 377.194 3.358 50 40 GGGB COc1cc(/C=N/NC(N)=O)ccc1Oc1c(F)c(F)c(F)c(F)c1F 408735187 LIANYNXKPTUADO-RREIPUBJSA-N 375.253 3.185 50 40 GGGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Br)o1 408994748 ILHXHGDSLFCIOJ-FRKPEAEDSA-N 398.238 3.334 50 40 GGGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)CNc1cccc2ccccc12 409391237 IFGZXQLWTZZUBJ-MFKUBSTISA-N 387.439 3.423 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)o1 408994844 HCJHVSNYPFZIOP-GIJQJNRQSA-N 396.310 3.492 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1O)[C@H]1Oc2ccccc2O[C@H]1c1ccccc1 95532870 MIGUEPYMUYUVKI-FBWGCAEPSA-N 390.395 3.129 50 40 GGGB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@H](CI)C3)c1 2056226078 JRJKDRXWMMAVOA-HNNXBMFYSA-N 399.272 3.441 50 40 GGGB O=C(N[C@@H](Cc1ccc(N(CCF)CCCl)cc1)C(=O)O)c1ccccc1 1574267 MMDMENBHDGFFBO-SFHVURJKSA-N 392.858 3.127 50 40 GGGB C/C(CC(=O)Nc1ccccc1)=N\NC(=O)c1cc(Br)ccc1O 101499582 MOXVAWFJZNWCGO-RGVLZGJSSA-N 390.237 3.289 50 40 GGGB CCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1 2663029 JUMCECKBDOYCBX-UHFFFAOYSA-N 376.840 3.277 50 40 GGGB CCOC(=O)COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 818640 PJBQHYXDEQNTLM-IBGZPJMESA-N 396.443 3.079 50 40 GGGB CCOc1ccc(N[C@@H](C)C(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 2744654 LUUCYVMMIJZCMR-OVMKCGGTSA-N 391.855 3.404 50 40 GGGB Cc1ccccc1NCC(=O)N/N=C/c1cc(Br)cc(C)c1O 1444813 JLXVSIBDNFMFKD-AWQFTUOYSA-N 376.254 3.334 50 40 GGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cc(C2CC2)nc2ccccc12 4897720 IDBYYHRAUNDXDN-SRZZPIQSSA-N 376.372 3.490 50 40 GGGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)cc2)c1 408787203 UPEHDELUACUBSZ-YBEGLDIGSA-N 380.400 3.483 50 40 GGGB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1 5060379 UWZVPPNUMSDJTE-MRXNPFEDSA-N 384.461 3.032 50 40 GGGB O=C(NC[C@H](O)c1ccccc1)c1ccc(N(CCCl)CCCl)cc1 2035660 OGQAYRLWGFYCPQ-SFHVURJKSA-N 381.303 3.434 50 40 GGGB COc1ccc(-c2cc(C(=O)N/N=C(/C)c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 6780362 OYYOMRVBXAWMSY-NDENLUEZSA-N 379.376 3.148 50 40 GGGB CS(=O)(=O)N(Cc1ccc(C(=O)NN=C2CCCC2)cc1)c1ccccc1 5205631 HTHHGRMOTAFRIH-UHFFFAOYSA-N 385.489 3.313 50 40 GGGB COc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(OC)c1 4735242 UELKMVSVYHVQSH-YBFXNURJSA-N 377.238 3.159 50 40 GGGB CCOc1cccc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1O 4720782 URUMTZIZZCBSIB-YBFXNURJSA-N 377.238 3.246 50 40 GGGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21 409197306 AZLYOUNCMGQJJR-XNTDXEJSSA-N 393.468 3.489 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1O 8812603 HJDUUQYSTYCIGB-VXLYETTFSA-N 393.237 3.326 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1C 408837292 BRNHRBUJUDUMPP-GIJQJNRQSA-N 392.209 3.438 50 40 GGGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)Cc3ccccc3)cc2)c1 5754998 DWQUCBWDRLARKW-UHFFFAOYSA-N 387.439 3.251 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1ccc(F)cc1 846332 MAMGONQJKASILI-HNNXBMFYSA-N 377.335 3.342 50 40 GGGB CCN1c2ccccc2C2=C([C@H](c3ccccc3C)C(C#N)=C(N)O2)S1(=O)=O 20558415 MQGQLPVFDXQXQP-GOSISDBHSA-N 393.468 3.341 50 40 GGGB CCOc1ccc(CC(=O)N/N=C/c2cc(OC)c(OC)cc2Cl)cc1 10475892 SLERKFOTQZZHGR-CIAFOILYSA-N 376.840 3.449 50 40 GGGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccccc2O)o1 5562770 GPILBFKXDDYKEU-RGVLZGJSSA-N 381.344 3.333 50 40 GGGB O=C(N/N=C/c1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409250474 MCCHWZLFZFOLNA-WVISFHDSSA-N 376.243 3.497 50 40 GGGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(OC)c(O)c([N+](=O)[O-])c1 6230007 MJBKRGNLUYEXQB-SRZZPIQSSA-N 395.371 3.235 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1cccnc1 3573070 VWRREIWOGVZGPE-YDZHTSKRSA-N 375.384 3.073 50 40 GGGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl 808818 ZVSXTJKDDNGMDI-MRXNPFEDSA-N 384.823 3.089 50 40 GGGB O=C(/C=C/c1ccco1)Oc1cccc(/C=N/NC(=O)c2ccccc2O)c1 2766235 ZEVHCQFNKCJRLL-AOYBPTFZSA-N 376.368 3.368 50 40 GGGB CCOc1ccc(C(=O)N/N=C/c2ccc(I)cc2)cc1 26123825 CQGPPSRGLWCSHZ-WOJGMQOQSA-N 394.212 3.454 50 40 GGGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(C)cc3)C2=O)cc1 1887498 BQSLXXLEUMIEQY-HGBKYHTQSA-N 377.469 3.215 50 40 GGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN3CCCCC3)o2)cc1 4502595 WBJIKZVWJYTBGJ-HYARGMPZSA-N 383.448 3.059 50 40 GGGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@H](OC)c1ccccc1 408992717 BFOAKMGQODZXNV-KNGGAZFVSA-N 384.436 3.279 50 40 GGGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(C(C)(C)C)cc3)CC2=O)cc1 409161116 WQUXSRNUYINXJO-PDESAOGPSA-N 393.487 3.496 50 40 GGGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)[C@H]1COc2ccccc2O1 13140551 OQCRINMBFCDGEC-DSDJNCIMSA-N 396.834 3.124 50 40 GGGB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C/c1ccccc1 958338 IGDRLXYXXLJJOD-FSJBWODESA-N 388.452 3.275 50 40 GGGB COc1ccc([C@H]2C(C#N)=C(N)OC(c3ccccc3)=C2C#N)c(OC)c1OC 2241593 RTGLVDFOPYMSKD-GOSISDBHSA-N 389.411 3.455 50 40 GGGB C/C(=N/NC(=O)COc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 5620648 HPNITSVSWMEXMQ-WQRHYEAKSA-N 392.209 3.277 50 40 GGGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)NC[C@H]1CCCO1 408735458 SFTFXOAJILQGPR-FNUHDPNESA-N 387.439 3.339 50 40 GGGB O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(-n2cc[nH]c2=S)cc1 40119790 NGYHWMBOIWJEND-UHFFFAOYSA-N 384.486 3.160 50 40 GGGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778254 LEEOVQVTACFZCO-YRNVUSSQSA-N 396.255 3.186 50 40 GGGB Cn1c(NNC(=O)/C=C/c2ccccc2)nc2sc3c(c2c1=O)CCCC3 2334143 RBLJFWWGSHDQDA-VAWYXSNFSA-N 380.473 3.030 50 40 GGGB CCCCOc1ccc(CCC(=O)NNC(=S)NC(=O)c2ccccc2)cc1 51331095 BNZNRWSXAOJHHV-UHFFFAOYSA-N 399.516 3.134 50 40 GGGB Cc1ccc(C)c(OCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c1 6029093 RESIPABQAQABSD-UHFFFAOYSA-N 384.476 3.340 50 40 GGGB CCOC(=O)/C(C#N)=C(\O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 100499118 HHYKIJAMJCEIST-MSUUIHNZSA-N 381.344 3.203 50 40 GGGB N#Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(F)c1 4524075 CEPRUDCAQZBMAD-FOKLQQMPSA-N 377.331 3.419 50 40 GGGB COc1cc(NC(=O)C/C(C)=N/NC(=O)c2ccco2)c(OC)cc1Cl 18093908 BNJFHBUCSFKLCE-KEBDBYFISA-N 379.800 3.085 50 40 GGGB C/C(=N\NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2F)s1 46414806 ZIYBPIPARURIMW-DZUMZMOTSA-N 394.493 3.219 50 40 GGGB CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc21 5979730 CQMOFVONUZHGCG-PTNGSMBKSA-N 389.411 3.456 50 40 GGGB CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 4086377 CIQLZXGFIRLPSI-DHRITJCHSA-N 376.460 3.346 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OC(=O)c1cccnc1 5135353 MQWYHLROMXGFBB-WSDLNYQXSA-N 395.440 3.064 50 40 GGGB O=C(N/N=C1\C(=O)N([C@@H]2OC(=O)c3ccccc32)c2ccccc21)c1ccccc1 6474571 HWQYKMGUIMWSIS-BQMBHYSLSA-N 397.390 3.037 50 40 GGGB O=C(N/N=C/c1cccnc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 408824870 ATKMHDRPAQUNMT-NLRVBDNBSA-N 399.498 3.168 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)cc1 408905472 ANSLSAZPZIFMNC-OGTCDWKQSA-N 395.459 3.059 50 40 GGGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 408779830 LPVAZJFUDKMJFJ-AUWJEWJLSA-N 394.855 3.112 50 40 GGGB O=C(N/N=C/c1ccc2c(c1)OCO2)C1CCN(Cc2ccc(Cl)cc2)CC1 5634116 XLECRSUXXXPHME-FSJBWODESA-N 399.878 3.431 50 40 GGGB CCOc1ccccc1/C=N/NC(=O)c1cccc(I)c1 5336727 VMDHFIXZRGHBSB-WOJGMQOQSA-N 394.212 3.454 50 40 GGGB CCN1c2ccccc2C2=C([C@@H](c3cccc(F)c3)C(C#N)=C(N)O2)S1(=O)=O 20558374 JVFPBHVGOTZWEG-KRWDZBQOSA-N 397.431 3.172 50 40 GGGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(I)o1 1407105 AUZBYIPVWSFWLC-ZZXKWVIFSA-N 395.978 3.117 50 40 GGGB CCCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C[C@H](C)CC=C1C(C#N)=C(N)C2(C#N)C#N 36046621 JWLAABFKBCATAV-JLCUDIMXSA-N 397.482 3.437 50 40 GGGB COc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 409269664 LHSDMNYBDAWGTD-CIPMJJFUSA-N 395.371 3.047 50 40 GGGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCCC2)cc1Cl 409369236 IPJDGSZYNPMLMC-NTUHNPAUSA-N 397.258 3.465 50 40 GGGB COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1O[C@@H](C)C(=O)O 409244350 BJLXLHLLVBBULV-WQEJZQBCSA-N 392.411 3.464 50 40 GGGB C[C@@H](C(=O)N/N=C/c1cccs1)n1cnc2sc3c(c2c1=O)CCCC3 1783747 YZMRWRHOLKEPBW-QQZXWGPFSA-N 386.502 3.110 50 40 GGGB C=CCn1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c2ccccc21 6964299 MWWCNUHSTLOVFR-SRZZPIQSSA-N 379.489 3.477 50 40 GGGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Br)o2)cc1 657011 SWBJCTPCOQTSPC-GIJQJNRQSA-N 378.226 3.401 50 40 GGGB C[C@@H](C(=O)N/N=C/c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 954812 XLDQQBABDDGQDY-YSRRJJCPSA-N 380.473 3.048 50 40 GGGB CCCCCCn1nc(C(=O)NNC(=O)c2ccccc2)c2ccccc2c1=O 3298073 ZDBQXTXONWDBQC-UHFFFAOYSA-N 392.459 3.052 50 40 GGGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(N2CCOCC2)cc1 4676600 JLOODIOJQPEEDT-ZVHZXABRSA-N 391.393 3.235 50 40 GGGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 4778790 WWNAHFKGTMMUBZ-GMECJLQCSA-N 399.403 3.366 50 40 GGGB Cc1c(C(=O)NNS(=O)(=O)c2ccc(C(F)(F)F)cc2)oc2ccccc12 7380463 UCRHKDOZWGYCBQ-UHFFFAOYSA-N 398.362 3.383 50 40 GGGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C)cc1 408603829 HJIVUJBKMZXSRO-KRWDZBQOSA-N 381.505 3.248 50 40 GGGB CC(C)=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 5547174 XSYDOIKARPFWCB-UHFFFAOYSA-N 393.896 3.356 50 40 GGGB COc1ccc(/C(C)=N\NC(=O)C(=O)Nc2cccc3ccccc23)c(OC)c1 15930474 QQTWVIHXELGJOR-OYKKKHCWSA-N 391.427 3.336 50 40 GGGB FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](Br)[C@@H]1C[C@H]2Br 4188637 JWJVSPNLWDYONI-SKNVOMKLSA-N 390.947 3.369 50 40 GGGB Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 102622787 SKLGBYSSACJLKX-VPYRXTAPSA-N 384.657 3.158 50 40 GGGB O=C(N/N=c1\scc(-c2ccc(O)cc2)n1C(=O)CCl)c1ccccc1 1415511 QMTKWVONYDSUCY-UZYVYHOESA-N 387.848 3.047 50 40 GGGB COc1ccc(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1 408727812 GREUIBLXZIOUQV-UDWIEESQSA-N 390.281 3.217 50 40 GGGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)N1CCOCC1 5756857 WPLAIDBTITZPNK-UKTHLTGXSA-N 387.779 3.274 50 40 GGGB C[C@@H](Oc1ccc(/C=N\NC(=O)COc2cccc3ccccc23)cc1)C(=O)O 408856704 JWOLIHRMEAHPKP-KSJDGYIASA-N 392.411 3.221 50 40 GGGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@@H]1c1ccc(Cl)cc1Cl 5567985 JJNDNGHKOMXXBV-BREBYQMCSA-N 377.153 3.265 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 1501197 CJDFLANEEBWTHO-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)Cc1ccc(Br)cc1 226366227 VOHXPKHJZNLZMF-UHFFFAOYSA-N 386.249 3.199 50 40 GGGB Cc1cc(OCC(=O)NNC(=O)Cc2ccc(Cl)cc2)cc(C)c1Cl 869519 SJXSIPBJWOVYLC-UHFFFAOYSA-N 381.259 3.379 50 40 GGGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 1084874 PQBWOFQTKZFRHY-KRWDZBQOSA-N 391.383 3.377 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)NC(C)C)c(C)n1-c1cccc(Cl)c1Cl 7918451 QIDPBJFUNNNSRS-ZVBGSRNCSA-N 395.290 3.376 50 40 GGGB CN(C)C(=O)/C(C#N)=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 59335000 ORDOSHLGEPITJM-PTNGSMBKSA-N 390.418 3.414 50 40 GGGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)C(F)(F)F)c1 5381292 LEIWRKWNYQGOFH-YVNNLAQVSA-N 394.309 3.250 50 40 GGGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)NCCC2=CCCCC2)cc1 6534398 NSIUQAOKYPGMFA-XMHGGMMESA-N 381.476 3.209 50 40 GGGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)OCc3ccccc3)=C2C#N)o1 1064427 CPSIHVRTAHQWBZ-HNNXBMFYSA-N 382.441 3.403 50 40 GGGB CC1(C)CC(=O)C/C(=N/NC(=O)c2ccccc2I)C1 100011030 HZEBCUDYKFEQDQ-YVLHZVERSA-N 384.217 3.156 50 40 GGGB CCN(CC)c1ccc(/C=N/NC(=O)c2cncc(Br)c2)c(O)c1 2336302 RPAWAZRJWGUIQO-KEBDBYFISA-N 391.269 3.160 50 40 GGGB O=C(NNc1ncnc2c1cnn2Cc1ccccc1)c1ccccc1Cl 2319165 UQUVUQNEAODYOU-UHFFFAOYSA-N 378.823 3.285 50 40 GGGB Cc1nc([N+](=O)[O-])c(SC[C@H](O)CCl)n1Cc1ccc(Cl)cc1 4893727 QPKRPINCRBFHOG-GFCCVEGCSA-N 376.265 3.493 50 40 GGGB C/C(N)=C(/C#N)C(=O)CSc1nc(-c2ccccc2)c2c(C)cc(C)nn12 102410253 VTUBTTDQCPAWLC-JQIJEIRASA-N 377.473 3.431 50 40 GGGB C/C(=N/NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 4833917 CQFRHIZJVZNIAQ-YVNNLAQVSA-N 382.222 3.403 50 40 GGGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)o2)c1 409143729 IJCABBMYUFAOJW-RXULLKCLSA-N 392.411 3.307 50 40 GGGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC(C)C)cc1 408905961 GQHZWWOZFULUOB-KMUCBOENSA-N 397.475 3.281 50 40 GGGB CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)[nH]n1 5460499 MOYQZTCSSVWEIN-CIAFOILYSA-N 380.404 3.283 50 40 GGGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](O)c1ccccc1 59502280 XCVTXCSKAJEAJA-RONKMWSCSA-N 389.249 3.198 50 40 GGGB COc1ccc(C)cc1NC(=S)NNC(=O)CSCc1ccccc1 6390486 AVZKGQAJEYODRB-UHFFFAOYSA-N 375.519 3.255 50 40 GGGB Cc1ccccc1C(=O)NCC(=O)N/N=C\c1cn(C(C)C)c2ccccc12 409160187 WGZHIRRGZVMGLY-MSXFZWOLSA-N 376.460 3.411 50 40 GGGB CCOc1cc(/C=N/NC(N)=O)ccc1OCCOc1cc(C)cc(CC)c1 4511394 OLHUIHAMVAOVHL-OEAKJJBVSA-N 385.464 3.416 50 40 GGGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1 4964520 JHJBEIXTCUZCTO-XMHGGMMESA-N 391.518 3.077 50 40 GGGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N2NC=C(C#N)C2=N1 8991597 ZUJJZHDNNLHXOK-FQEVSTJZSA-N 399.410 3.009 50 40 GGGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cc(Br)ccc1O 409147417 XRIHPHUHHGCTFR-NGYBGAFCSA-N 397.612 3.301 50 40 GGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCCCC2)cc1 38545226 WEDLKFCNUNKUFP-STZFKDTASA-N 382.420 3.114 50 40 GGGB O=C(COc1ccccc1F)NNC(=O)c1ccc(OCc2ccccc2)cc1 8350549 FVKICGQVYWWSSE-UHFFFAOYSA-N 394.402 3.245 50 40 GGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(C)nn(-c2ccccc2)c1C 2786741 MWTKEQMHDZISAT-IBGZPJMESA-N 378.432 3.134 50 40 GGGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 4132048 DOPVYUTXFFKVON-UFWORHAWSA-N 377.784 3.100 50 40 GGGB CC1(C)C(C#N)=C(S[C@H](C(=O)N2CCCC2)c2ccccc2)NC(=O)[C@@H]1C#N 5333815 DRFUVVDGXDSFFQ-RDJZCZTQSA-N 394.500 3.114 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCC(=O)OC 408812379 MUWHQCHEHQOMPM-GDNBJRDFSA-N 398.390 3.322 50 40 GGGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccco1 4359566 LIVMPDJEISEYOC-WOJGMQOQSA-N 378.226 3.301 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@H]1c1c[nH]nc1-c1ccc(F)cc1 5409197 UEPMGNDBWSOVSC-MRXNPFEDSA-N 399.389 3.219 50 40 GGGB CC(C)c1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)nn1C(C)(C)C 40142826 QOKSIAQLNXRFRM-UHFFFAOYSA-N 379.464 3.385 50 40 GGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 107716912 JNYDDMXTKQMQCT-WSDLNYQXSA-N 391.383 3.367 50 40 GGGB Cc1c(Cl)cccc1N(CC(=O)NN=C1CCCCCC1)S(C)(=O)=O 20212870 AHEJUAVODJEHQZ-UHFFFAOYSA-N 385.917 3.241 50 40 GGGB CSc1ccc(/C=N\NC(=O)[C@H](NC(=O)Cc2cccs2)C(C)C)cc1 33347459 VDLOQANVIVXJDD-BDBXIWDTSA-N 389.546 3.304 50 40 GGGB CNS(=O)(=O)c1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1 32754801 IKLDGKXVEHELNJ-UHFFFAOYSA-N 381.457 3.078 50 40 GGGB CCOc1ccc(C(=O)NNC(=O)c2cccc(-n3ccnc3SC)c2)cc1 40135714 BNCHIGDQKRLJTE-UHFFFAOYSA-N 396.472 3.068 50 40 GGGB CCc1cc2ccc(OC)cc2nc1SCC(=O)NNC(=O)c1ccccc1 5985085 UKPLNNUGVMVBPU-UHFFFAOYSA-N 395.484 3.359 50 40 GGGB CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)C(Cl)Cl)sc2c1 2694877 NPHHSDVUDNQKBL-UHFFFAOYSA-N 396.321 3.069 50 40 GGGB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NNC(=O)c1ccccc1 27575917 VOMAJQFTZMAFGA-UHFFFAOYSA-N 385.420 3.244 50 40 GGGB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3cnn(CCCl)c3)nc2c1 57738830 RMJCAYOGZHCPII-MLPAPPSSSA-N 393.230 3.294 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1OC 12465040 BAEFZYYVEOUFON-WSDLNYQXSA-N 382.395 3.387 50 40 GGGB Cc1c(/C=N/NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cnn1C 20342946 YFGMUQFVRQMIAQ-UBKPWBPPSA-N 377.813 3.269 50 40 GGGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 104653321 NASYFHPYAZBCNZ-SDXDJHTJSA-N 386.411 3.021 50 40 GGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 408934197 BHXLYJHLWAURRH-YSRRJJCPSA-N 388.899 3.421 50 40 GGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408606764 AVBYFLUVQQYIEQ-OFJBCHTGSA-N 387.867 3.284 50 40 GGGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccco3)cc2)cc1 409129088 KAXNAVTXRIJMDL-KGENOOAVSA-N 397.456 3.177 50 40 GGGB COc1ccccc1NCC(=O)N/N=C(\C)c1ccc(Br)s1 4893924 FLKVAOSEAAMHGZ-VCHYOVAHSA-N 382.283 3.472 50 40 GGGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 107852529 BVHPCXITQPOPRX-SRZZPIQSSA-N 383.404 3.314 50 40 GGGB Cc1cc(/C=N\NC(=O)CC(=O)NCC(C)C)c(C)n1-c1ccccc1Cl 58913930 PZWRNFYWDKQYOT-FMCGGJTJSA-N 388.899 3.360 50 40 GGGB Cc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)o1 6146771 CIUARDYBLPMFTF-WOJGMQOQSA-N 389.458 3.214 50 40 GGGB CC1=C(C(N)=O)[C@@H](c2ccco2)C(C#N)=C(SCc2ccc(C#N)cc2)N1 5264245 QIGYNPMOVOCUMQ-GOSISDBHSA-N 376.441 3.266 50 40 GGGB Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccco3)cccc2[N+](=O)[O-])cc1 409224687 NDQASXBMKYJAFS-MTJSOVHGSA-N 393.355 3.479 50 40 GGGB CCN1C=CC2=C(C#N)[C@@H](N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@H]2C1 4655511 RVFTYZUZLXPIGM-QXAKKESOSA-N 397.404 3.449 50 40 GGGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cccs1 408968613 AHCCTXVKULAQRH-RHLNUJDMSA-N 387.505 3.117 50 40 GGGB CS(=O)(=O)c1cccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)c1 33028312 SHDKJCLUTUCHHN-UHFFFAOYSA-N 394.496 3.437 50 40 GGGB COC(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 1800341 ORJJNMBGUZYIKX-UHFFFAOYSA-N 376.412 3.227 50 40 GGGB COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1O 100522436 CSTFGGJEJBVLQF-NVWNRXINSA-N 381.270 3.440 50 40 GGGB C=CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1I 59399146 XFFINDCWGKASRN-JYRVWZFOSA-N 396.228 3.288 50 40 GGGB C[C@H]1CCc2sc(C(=O)NNC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2C1 2628524 KTUZZMXWSLDAQG-CRALRDPISA-N 385.445 3.256 50 40 GGGB CCOC(=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](/C(C#N)=C(\C)N)c1ccco1 57556961 KXGXTPJORJIIDP-QDWFBIQASA-N 397.387 3.090 50 40 GGGB Cc1ccccc1C(=O)NC1=N/C(=C(/C#N)C(=O)N2CCCCC2)c2ccccc21 2352678 FPKPFGXBVJPFFO-MRCUWXFGSA-N 398.466 3.432 50 40 GGGB Cc1cc(OCC(=O)NNC(=O)/C=C/c2ccc3ccccc3n2)ccc1Cl 40159781 FDAIUKQEENDBQL-DHZHZOJOSA-N 395.846 3.436 50 40 GGGB COC(=O)COc1ccccc1/C=N/NC(=O)CSc1ccc(Cl)cc1 8092097 NVDPDRBUIIDQDJ-KEBDBYFISA-N 392.864 3.134 50 40 GGGB O=C(NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccncc1 15896822 WREGEOHIEZHAAE-UHFFFAOYSA-N 381.819 3.389 50 40 GGGB CN(C)c1ccc(/C=N/NC2=N[C@H]3CCC[C@@H](Br)[C@@H]3S2)cc1 5334057 BREBZNSSLCAGBN-ZZFRTMSSSA-N 381.343 3.464 50 40 GGGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)ccc1O 8569226 JUENAFBNZZTHEE-HNNXBMFYSA-N 380.429 3.461 50 40 GGGB O=C(CCCN1C(=O)c2ccccc2C1=O)NNc1cccc(C(F)(F)F)c1 32999886 GUPLFVNDVLIGOQ-UHFFFAOYSA-N 391.349 3.225 50 40 GGGB CCOc1cc(Br)cc(/C=N/NC(=O)Cc2ccccc2)c1O 829871 KRDUAATXZZSMSD-YBFXNURJSA-N 377.238 3.246 50 40 GGGB COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)c1 5130134 ZBSHTRXLQVMOAG-HNNXBMFYSA-N 380.429 3.374 50 40 GGGB Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 40068777 HSDGDIOZQQOSME-AWEZNQCLSA-N 380.448 3.049 50 40 GGGB N#C/C(=C\c1cc(F)ccc1F)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 40139726 SUWXNRUNXUMFGQ-VZUCSPMQSA-N 387.298 3.190 50 40 GGGB Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2ccc(Cl)cc2Cl)c1 12906237 XYMUSBXHHRIIHW-UHFFFAOYSA-N 381.259 3.379 50 40 GGGB O=C(CCCC[C@@H]1CCSS1)NCCN1Cc2ccccc2OCC1=O 575609979 ADLFLHACLMGUBS-MRXNPFEDSA-N 394.562 3.238 50 40 GGGB O=C(N/N=C\c1cc(Br)c(N2CCCC2)o1)c1ccccc1O 408853464 UAAKROTVXAQMHN-ZDLGFXPLSA-N 378.226 3.112 50 40 GGGB COc1cccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c1 408880974 KXCMSQBNFMHYGW-YBFXNURJSA-N 376.254 3.288 50 40 GGGB COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1cc2ccccc2o1 409221147 LOSHLCLXTXJWDW-HMAPJEAMSA-N 379.416 3.042 50 40 GGGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1O 39940498 HUSHSPRMXMHVHM-JMIUGGIZSA-N 395.228 3.385 50 40 GGGB O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1cccnc1 83329180 OJJMOQAFMPSKRU-IDUWFGFVSA-N 399.042 3.076 50 40 GGGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCCOc3ccc(C)cc3)ccc21 6634407 GXGYSGTZLQXHNV-UHFFFAOYSA-N 394.475 3.293 50 40 GGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(SC)cc2)cc1Cl 59444426 IQCYQOFEUWQKNY-VXLYETTFSA-N 377.853 3.159 50 40 GGGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C)cc3)CC2)cc1 409004361 CAWFZCMZXFVFTI-HZHRSRAPSA-N 379.460 3.006 50 40 GGGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 409004376 CEPXHODUASYLCE-HZHRSRAPSA-N 379.460 3.006 50 40 GGGB C[C@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)N(C)Cc1ccccc1 5229476 PLCIYDOVNIAKTJ-TYSUYXETSA-N 391.471 3.250 50 40 GGGB O=C(Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1)c1cccc(F)c1 1445060 RQLZZHFFOWVCEJ-PGLVWIQMSA-N 392.386 3.229 50 40 GGGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4cccc5ccccc45)[C@@H]13)[C@H]2Br 102623221 HIVUJUYHDXHLEM-HZMAYWFUSA-N 386.245 3.349 50 40 GGGB COC(=O)Cn1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21 408811130 KJILLIYGJUHQOX-JJFYIABZSA-N 375.384 3.324 50 40 GGGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 408612704 XEUQBMPCIRZACR-FSJBWODESA-N 387.867 3.141 50 40 GGGB C[C@H](C(=O)N/N=C\c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CCCC3 31858957 MZHYSFGURGFHIO-MOQVIFSHSA-N 398.463 3.187 50 40 GGGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(F)cccc3F)[C@@H]2C1 4453516 BEVXILBRDMBEOP-DNVCBOLYSA-N 379.414 3.100 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(F)cc1 1444165 JARQIXJDMVHFEV-DJKKODMXSA-N 381.201 3.126 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccccc1 59959810 KGSAYYFGCGVLKY-HIQXPHMNSA-N 388.471 3.422 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)NC2CCCC2)cc(Br)c1OC 27840691 CLLNSGLMYFKJPI-KPKJPENVSA-N 379.254 3.432 50 40 GGGB CC(=O)N/N=C/c1cc(C)n(-c2cccc(I)c2)c1C 409019297 YPWBAPQTBHVGMF-RQZCQDPDSA-N 381.217 3.169 50 40 GGGB O=C(N/N=C/c1cccc(Cl)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 409007431 WLHSQEGJVLBOEK-YDZHTSKRSA-N 387.842 3.482 50 40 GGGB Cc1ccc(S(=O)(=O)/C(C#N)=C\N2CCN(c3ccc(F)cc3)CC2)cc1C 100676512 WRMGGFOUAAYLLW-QNGOZBTKSA-N 399.491 3.403 50 40 GGGB Cc1ccc(-n2cccc2/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 6966524 NRQRRDDXZVTGSQ-CIAFOILYSA-N 379.489 3.435 50 40 GGGB CCCc1ccc(/C(CCC(=O)O)=N/NC(=O)COc2ccc(C#N)cc2)cc1 6052854 OVMQZUPRQVPLHJ-HIXSDJFHSA-N 393.443 3.275 50 40 GGGB Cc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1[N+](=O)[O-] 409347103 LXUOJXJJIRLIEF-DJKKODMXSA-N 391.225 3.228 50 40 GGGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1O[C@H](C)C(=O)O 409237725 BMGVYSSTIRHIKP-VQCBNXJZSA-N 380.400 3.401 50 40 GGGB C/C(=N/NC(=O)c1ccc(N(C)C)cc1)c1c(C)nn(-c2ccccc2)c1O 408957243 SZUQDFBCYZCKAX-HMAPJEAMSA-N 377.448 3.106 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCc1cccc(F)c1 408814546 VSYOBEAAIWBBRY-WOJGMQOQSA-N 398.434 3.473 50 40 GGGB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1 5060383 PHZGTZHFFFOOPG-KRWDZBQOSA-N 398.488 3.422 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1O 1741415 LPWNAXBYKDHROT-OEAKJJBVSA-N 389.411 3.417 50 40 GGGB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@@H](CI)C3)c1 2056226079 JRJKDRXWMMAVOA-OAHLLOKOSA-N 399.272 3.441 50 40 GGGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)c(Cl)c3)[C@H]2C1 1434263 MMDTVRCLFDDTRG-YOEHRIQHSA-N 384.270 3.349 50 40 GGGB C/C(N)=C(\C#N)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C(C)C 104829050 TVIZNVQRLYOFSN-BENRWUELSA-N 376.507 3.073 50 40 GGGB Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCC(C)C)c2C)c1 58913943 PXYLBHUQYQHHHC-CFRMEGHHSA-N 382.508 3.323 50 40 GGGB CCc1cc(C)cc(OCCOc2ccc(/C=C(/C#N)C(N)=O)cc2OC)c1 13893453 LVJVXAHOIDYZHZ-WQRHYEAKSA-N 380.444 3.416 50 40 GGGB CCn1c2ccccc2c2cc(NC(=O)C(=O)N/N=C/c3cccnc3)ccc21 4675323 NZLRBJDSOQTNIL-ZVHZXABRSA-N 385.427 3.298 50 40 GGGB C[C@@H](Oc1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1)C(=O)O 39557402 BDQDNWCDOGJZOK-DSQDWWTGSA-N 399.410 3.242 50 40 GGGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Cl)cc1OC 33728516 RIMJBYQUYIDYIA-JAIQZWGSSA-N 391.811 3.348 50 40 GGGB Cc1cc(I)cc(/C=N/NC(=O)c2ccccc2)c1O 1084988 GPNGUAGCZQSLOV-RQZCQDPDSA-N 380.185 3.069 50 40 GGGB CC[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)/C=C/c3ccccc3)cc2C1 7403013 VZDSJCMOYVUADD-PLSXKVAHSA-N 390.530 3.498 50 40 GGGB C[C@H](C(=O)N/N=C/c1cccc2ccccc12)N(c1ccccc1)S(C)(=O)=O 408925110 MFMAMWZQTPPXSO-QFNCUCFLSA-N 395.484 3.145 50 40 GGGB O=C(N/N=C/[C@H]1C[C@H]2C=C[C@@H]1C2)c1ccc(C(=O)N/N=C/[C@@H]2C[C@@H]3C=C[C@@H]2C3)o1 226351226 AFAUUXNDJLKADH-HGKHWGBBSA-N 392.459 3.135 50 40 GGGB CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(Br)c1OCC 169899810 GHVBRAKEHNZARO-JAIQZWGSSA-N 392.253 3.405 50 40 GGGB COc1cc(C(=O)NN)cc(Cl)c1OCc1cccc(Br)c1 226326808 YYZWMDHJQSBNPC-UHFFFAOYSA-N 385.645 3.294 50 40 GGGB C[C@@H](NC(=O)COc1ccc(/C=N\NC(=O)c2ccco2)cc1)c1ccccc1 58883153 HZMIUYBAUHDQKN-GMPVXANTSA-N 391.427 3.300 50 40 GGGB O=C(CCC(=O)Nc1ccc(C(F)(F)F)cc1)N/N=C/c1cccc(O)c1 2753305 PXXBQICKRLLOES-SSDVNMTOSA-N 379.338 3.280 50 40 GGGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)o1 685897 OWHQQWXYDFGWMC-DJKKODMXSA-N 389.868 3.279 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1Br 408598699 IRVIZMQDEMKFNF-VCHYOVAHSA-N 391.225 3.187 50 40 GGGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(OC)c2)cc1 408745377 RDNXDNYNTRDRJM-GDNBJRDFSA-N 396.399 3.103 50 40 GGGB COc1cc(C(=O)N/N=C/C=C/c2ccco2)ccc1I 5661126 FYRIRWZSHGXPFX-RJMXLKIRSA-N 396.184 3.322 50 40 GGGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1 6331561 DBBACWVMHKSCPC-BUVRLJJBSA-N 395.503 3.484 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)c(C)n1-c1cccc(Cl)c1 58911541 BOVLPSQNUKYTEE-WSDLNYQXSA-N 386.883 3.256 50 40 GGGB O=C(C[C@@H]1C=CCC1)NNC(=O)c1ccccc1OCCOc1ccccc1 12876012 JDZZEMBJWBTCRB-QGZVFWFLSA-N 380.444 3.262 50 40 GGGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 408972463 CFDRQGMJIPEKMT-LSFURLLWSA-N 399.756 3.456 50 40 GGGB C=CCN1C(=O)/C(=N\NC(=O)COc2c(C)ccc(C)c2C)c2ccccc21 4724226 AAPBLWQJAVNNKJ-GFMRDNFCSA-N 377.444 3.044 50 40 GGGB CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 16693898 CQCZXBQBNOFFNN-UNOMPAQXSA-N 387.395 3.090 50 40 GGGB Cn1/c(=N\NC(=O)CCC(=O)c2ccc(F)cc2F)sc2ccccc21 102145913 JTLIHOZAPSQICH-RELWKKBWSA-N 375.400 3.113 50 40 GGGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 59426176 HXSQMDHISKZUCY-RGVLZGJSSA-N 379.328 3.317 50 40 GGGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(OC)c(O)c(OC)c1 105895143 VEUAXYWXNSNQCU-WSDLNYQXSA-N 380.400 3.335 50 40 GGGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 408795886 NMEZYQBRFFZHNK-LICLKQGHSA-N 394.427 3.410 50 40 GGGB O=C(CSc1ccc(F)cc1)NNC(=O)c1ccc(Br)cc1 7166559 QNFYMMZWJISTKE-UHFFFAOYSA-N 383.242 3.142 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cc1 409015032 RLBLQLIPSQEEIL-OJNRTJSBSA-N 396.399 3.101 50 40 GGGB CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)c1ccccc1 408720162 VBHOTMMWFZXQJK-RXULLKCLSA-N 398.459 3.245 50 40 GGGB COc1cc(Br)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409234486 KWWCNZRKKUTISD-JMIUGGIZSA-N 395.228 3.298 50 40 GGGB CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1OC 409162365 UUYLKSSBZPFBCF-VXLYETTFSA-N 393.237 3.326 50 40 GGGB O=C(NNc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 30611199 COZOLEOYMOYKDV-UHFFFAOYSA-N 393.896 3.272 50 40 GGGB C[C@@H]1CCc2sc(C(=O)NNC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2C1 2628526 KTUZZMXWSLDAQG-YPUOHESYSA-N 385.445 3.256 50 40 GGGB COc1ccc(NC(=S)NNC(=O)Cc2cccc(C(F)(F)F)c2)cc1 408585052 BGRVAEUYLXSDRA-UHFFFAOYSA-N 383.395 3.274 50 40 GGGB COc1cccc(-c2n[nH]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)c1 17207374 KAFVLFWGCLBGDH-INIZCTEOSA-N 389.371 3.212 50 40 GGGB CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)c3cccc(C(N)=O)c3)cc2C1 28425151 WZROOGRUVFXZKQ-OAHLLOKOSA-N 399.516 3.073 50 40 GGGB CCc1ccc(OCC(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 12616781 KOPNVKQNIZQACF-UHFFFAOYSA-N 390.867 3.286 50 40 GGGB COc1ccc(NC(=O)C(=O)N/N=C\c2c(F)cccc2Cl)cc1Cl 59444790 XSYXZNMRQPONGF-ZBKNUEDVSA-N 384.194 3.230 50 40 GGGB CCn1c(SCC(=O)N/N=C(\C)c2cccnc2)nnc1-c1ccc(C)cc1 1254761 ADPPXRFWJPVRRT-PXLXIMEGSA-N 394.504 3.301 50 40 GGGB O=C(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)NCCc1ccccc1 59459593 RDEOGHPBFVOHJR-WSDLNYQXSA-N 378.259 3.193 50 40 GGGB O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)Cc1ccccc1 2134665 CDWOGUUGLJEBIX-UHFFFAOYSA-N 394.258 3.102 50 40 GGGB N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@@H]1c1ccccc1F 8973340 FAYNJIXUQKFUCS-MRXNPFEDSA-N 395.459 3.214 50 40 GGGB C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)c1ccc(F)cc1Cl 14135887 LLOKAKSYWMWCDP-SECBINFHSA-N 392.843 3.350 50 40 GGGB COc1ccc(CCNC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(F)cc2)cc1 5728299 XONXAFSHBOEBDN-SFQUDFHCSA-N 390.418 3.490 50 40 GGGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1O[C@H](C)C(=O)O 409247451 HJNTZDWQXZVCAO-VQCBNXJZSA-N 380.400 3.401 50 40 GGGB O=C(O)CCC/C=C/C[C@@H]1[C@@H](CNNC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 169370356 RJNDVCNWVBWHLY-AXQLMUSCSA-N 387.480 3.308 50 40 GGGB in-vitro C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)c1cccc(C)c1O 4904527 HRXGPIFUPBKBOP-ZMOGYAJESA-N 383.492 3.137 50 40 GGGB Cc1ccc(C)c(OCC(=O)NNC(=O)COc2cccc3ccccc23)c1 6029100 SQQRARRMWDIOQK-UHFFFAOYSA-N 378.428 3.062 50 40 GGGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1 2697918 DTNBQVXOFREIEW-GOSISDBHSA-N 376.412 3.477 50 40 GGGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(NC(=O)C(C)(C)C)s1 59498830 PRARFBXNGDQUMA-KEBDBYFISA-N 398.492 3.005 50 40 GGGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(N)=O)c3ccccc23)c1 108027352 IABSHZJHNWVVAJ-GDNBJRDFSA-N 388.427 3.071 50 40 GGGB O=C(/C=C\c1ccco1)Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 72336380 MJGMWTOZKGUXPV-WSQSSJHKSA-N 390.395 3.082 50 40 GGGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 16440546 FFRGFXSSWQDXRF-LDADJPATSA-N 398.434 3.473 50 40 GGGB c1ccc(P(=Nc2ccc3nnnn3n2)(c2ccccc2)c2ccccc2)cc1 100251065 QRVYZWZSATULBB-UHFFFAOYSA-N 396.394 3.329 50 40 GGGB CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)/C1=N\NC(=O)c1ccccc1O 100672834 YDHYTCMHEYPVIL-HIXSDJFHSA-N 388.427 3.129 50 40 GGGB O=C(N/N=C/c1ccco1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 58900689 ZUOZJLVBMIABAO-UDWIEESQSA-N 378.344 3.204 50 40 GGGB O=C(N/N=C/c1cc(Br)c(N2CCCCC2)o1)c1ccncc1 408859757 QICABDNJLRJGJO-YBFXNURJSA-N 377.242 3.191 50 40 GGGB CN(C)C(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(C#N)C#N 3120888 RWXTZVNTOOVCCI-UHFFFAOYSA-N 389.327 3.034 50 40 GGGB COC(=O)/C(=C(/C)N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 103481191 XATJPWOENKFWGB-UHFFFAOYSA-O 376.416 3.344 50 40 GGGB O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 59433872 YOCZCUJOUPXNQE-HYARGMPZSA-N 375.384 3.273 50 40 GGGB CC1=NN(c2ccccc2)C(=O)/C1=C(\NNC(=O)c1ccccc1)C(F)(F)F 100509973 JBJOMPUWUWLYJV-NXVVXOECSA-N 388.349 3.160 50 40 GGGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)o1 409149275 AIESTPCZNQLRQB-CIPMJJFUSA-N 379.372 3.347 50 40 GGGB COc1cccc(/C=N\NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)c1OC 4523721 BBTOOYKXPKSUBR-PAEMTNLTSA-N 398.459 3.291 50 40 GGGB Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 18178464 WCTLRVALDLLXLN-RWEWTDSWSA-N 399.450 3.441 50 40 GGGB COc1cc(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)c1OC 409232933 CIVMEUSJYWBLQO-JMIUGGIZSA-N 395.228 3.298 50 40 GGGB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1 103918300 WZKCDOVCTREBNX-HKWRFOASSA-N 392.459 3.407 50 40 GGGB O=[N+]([O-])c1cccc(P(=O)(Nc2ccccn2)c2cccc([N+](=O)[O-])c2)c1 33355480 KTAULZOVLOLXKT-UHFFFAOYSA-N 384.288 3.239 50 40 GGGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408734627 AEZSVSUQFAKLGH-KEBDBYFISA-N 382.247 3.036 50 40 GGGB COc1ccc(/C=C(\C#N)C(N)=O)c(OCc2ccc(Br)cc2)c1 408873576 SFRTXHQDLVHNIZ-RIYZIHGNSA-N 387.233 3.429 50 40 GGGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(F)cc1 408973177 ZXJJZTBLKNHBKP-BBMHEYIBSA-N 399.466 3.194 50 40 GGGB COc1cc(/C=N\NC(=O)COc2cccc(C)c2)cc(Br)c1O 36024683 FEZYBBVZGBOVHP-OCKHKDLRSA-N 393.237 3.001 50 40 GGGB COc1ccc(O)c(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c1 6189249 MNQYEPQTFCIVBR-WSDLNYQXSA-N 378.432 3.026 50 40 GGGB C[C@@H](C(=O)/C(C#N)=C1/Nc2ccccc2S1)N1C(=O)c2ccccc2C1=O 6175125 RASUPNOXQVOYTJ-WMEZLHQCSA-N 375.409 3.193 50 40 GGGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccc(Cl)cc1 100522749 IIVGDOZEEWQOKY-WSDLNYQXSA-N 387.823 3.246 50 40 GGGB Cc1ccccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 4852671 RMPUBRMDINOLFX-GFCCVEGCSA-N 397.258 3.296 50 40 GGGB COc1cc(OC)c(NC(=O)C/C(C)=N/NC(=O)c2ccco2)cc1Cl 101511082 ZRIDHXPOEIBOQK-KEBDBYFISA-N 379.800 3.085 50 40 GGGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)o1 7156369 OTMSDDLAHQZFFM-FOWTUZBSSA-N 399.472 3.308 50 40 GGGB N#C/C(=C\c1cccc(Br)c1)C(=O)NCc1ccc2c(c1)OCO2 59266448 OJKBSBIZGBHCSL-MKMNVTDBSA-N 385.217 3.401 50 40 GGGB Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1 26690818 VVECHMIUGWBDAH-UHFFFAOYSA-N 383.379 3.084 50 40 GGGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)[C@@H](C#N)C12CCCCC2 35682042 VWLIFINJKCGPOS-OAHLLOKOSA-N 380.473 3.314 50 40 GGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)o1 5125760 RQCXDQAAFHUNJC-UXBLZVDNSA-N 376.332 3.105 50 40 GGGB Cc1cc(N2C[C@@H](C(=O)Cl)CC2=O)cc(C)c1I 45889735 MYRWNMJJZMEAFC-VIFPVBQESA-N 377.609 3.026 50 40 GGGB Cc1ccc(OCC(=O)NNC(=O)Cc2cccc(C(F)(F)F)c2)cc1C 6942407 CXKWIAGNLULRCW-UHFFFAOYSA-N 380.366 3.091 50 40 GGGB C/C(=N\NC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)c1ccc(Br)cc1 16712921 QPPGSCFFVJPZOO-HUWVGRHQSA-N 393.281 3.411 50 40 GGGB C[C@H](Sc1ccccc1)C(=O)NNC(=O)c1ccc(Br)cc1 17330606 UIJQFGVIZACGSB-NSHDSACASA-N 379.279 3.391 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccccc1 847892 VORCHUIFGWJOCZ-YDZHTSKRSA-N 375.384 3.073 50 40 GGGB CC(C)Cn1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 58177933 SFWBFCCHBSSDSR-UHFFFAOYSA-N 380.404 3.280 50 40 GGGB CN(NC(=O)C[C@@](O)(c1nc2ccccc2o1)C(F)(F)F)c1ccccc1 58390524 ZVIOOZRBHIMNEX-QGZVFWFLSA-N 379.338 3.135 50 40 GGGB CCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2Cl)c2ccccc21 5245786 BUUUOIZISBWVGS-VLGSPTGOSA-N 392.846 3.291 50 40 GGGB CC(C)CNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(F)cc2)c2ccccc21 5323628 QPBRNWOXBZQGIK-HNENSFHCSA-N 390.418 3.023 50 40 GGGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 18271766 NEDGOYPHMIDJHI-KGVSQERTSA-N 387.355 3.332 50 40 GGGB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccncc2)cc1 16035583 AIOVJQSOWHIVCK-OLVIXNNRSA-N 394.475 3.014 50 40 GGGB COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OC(C)=O 33326596 SZRGEHGYRWUEKB-GRSHGNNSSA-N 391.221 3.147 50 40 GGGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(C(C)C)cc3)CC2=O)cc1 33927204 HAPOTYXKKFLMBU-QRAWFLTRSA-N 379.460 3.322 50 40 GGGB CC(C)=NNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 408776436 OUEDGCOKOOIYBE-UHFFFAOYSA-N 387.505 3.319 50 40 GGGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)S(=O)(=O)c1ccc(Cl)cc1 3429306 QFQZWAKAYIWRMP-CXUHLZMHSA-N 377.805 3.142 50 40 GGGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1 408832526 XMTYIUYAXRGVGM-AWQFTUOYSA-N 381.215 3.309 50 40 GGGB O=C(N/N=C\c1cc(Br)c(Br)o1)c1cccc(O)c1 408955299 WUIDJQQJEXYJPD-UUASQNMZSA-N 388.015 3.274 50 40 GGGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(OC)c2)cc1OC 409310918 DDBWMPUZICDHKO-JMIUGGIZSA-N 378.812 3.225 50 40 GGGB O=C(CCCC[C@H]1CCSS1)N1CCN(CCc2ccncc2)CC1 96115263 JECKRJXLBQDTGG-SFHVURJKSA-N 379.595 3.482 50 40 GGGB biogenic Cc1scc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1-c1ccccc1 17081490 GAEZUJFCWZUVDB-BODMPHMZSA-N 398.484 3.231 50 40 GGGB COc1cccc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1O 6189222 PIHYFJVFIASZFO-WSDLNYQXSA-N 378.432 3.026 50 40 GGGB COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1ccc(C)cc1 226335615 FMOPLXGFJUHVSV-BQYQJAHWSA-N 391.265 3.348 50 40 GGGB CCOc1cc(/C=C/C(=O)NN)ccc1OCc1ccc(Br)cc1 226365223 ZQAFJPBFDKRDGY-UXBLZVDNSA-N 391.265 3.430 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCCC3)cc2F)n1 6964273 AGXXBZKFTAUXKC-SRZZPIQSSA-N 387.484 3.075 50 40 GGGB CCCCCCC(=O)NN/C=C1\C(=O)N(c2ccc(C)cc2)C(=S)N=C1O 2604583 HBUMMFIASZNQKH-QINSGFPZSA-N 388.493 3.058 50 40 GGGB CCc1c(C(=O)NNC(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)csc1C 102257582 ZRMPTEDZFYNXCJ-OMNBBPDLSA-N 390.505 3.073 50 40 GGGB CCOC(=O)NNC(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1 24929443 VNAWBGFCNFUAAS-UHFFFAOYSA-N 392.387 3.270 50 40 GGGB CNC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O 3644163 UVCZTXAVUROSMO-JLHYYAGUSA-N 394.818 3.102 50 40 GGGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 4156118 WGPNFYVSOQMJDX-XKZIYDEJSA-N 380.404 3.026 50 40 GGGB Cc1ccc(OCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2O)cc1C 5085587 RWELNNVIRMPKHH-UUYOSTAYSA-N 378.432 3.032 50 40 GGGB COc1cccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)c1 5182085 KANAVLFRJVYVOA-KRWDZBQOSA-N 390.399 3.018 50 40 GGGB Cc1cc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)n(-c2ccccc2)n1 6683723 HHNJEMRCQZWZKJ-ATVHPVEESA-N 386.411 3.498 50 40 GGGB C=C1CC(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)C1 408733912 RPPGQKKBONQAIU-OMCISZLKSA-N 388.059 3.334 50 40 GGGB COc1cc(/C=N\NC(=O)c2ccco2)ccc1Oc1nc(Cl)ncc1F 30738294 RLNUMNAZAGGWLI-WNFQYIGGSA-N 390.758 3.427 50 40 GGGB CSc1nccn1-c1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 46897372 AHUHTTWTUHTRIG-UHFFFAOYSA-N 386.864 3.322 50 40 GGGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@H]1c1c(Cl)cccc1Cl 5567544 YESCWRGGARKRCU-DVYJOKAKSA-N 377.153 3.265 50 40 GGGB CCCCc1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)ccc2OC)cc1 3081921 GSSFRBUTFQGILC-HYARGMPZSA-N 383.448 3.135 50 40 GGGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccc(COCC(F)(F)F)cc1 44859803 WSZZNKMALXHSAG-NKVSQWTQSA-N 381.310 3.438 50 40 GGGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=C2CCCC2)cc1 5205726 AKQSQRCHWYZTSZ-UHFFFAOYSA-N 385.489 3.313 50 40 GGGB C/C(=N\NC(=O)c1ccccc1O)c1cccc(I)c1 408775855 SOLGOGMEKDASIC-LICLKQGHSA-N 380.185 3.151 50 40 GGGB CC/C(=N\NC(=O)c1csc2ccccc12)c1ccc(OCC(N)=O)cc1 5523071 OUMXGFZZMOCNPN-OQKWZONESA-N 381.457 3.310 50 40 GGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408612472 VOPRACDTXCQEJV-LVCXCXRVSA-N 387.867 3.284 50 40 GGGB CCCn1nc(C(=O)N/N=C/C(C)(C)c2ccccc2)c2ccccc2c1=O 95460157 LGVRTJKIUNFNEX-HZHRSRAPSA-N 376.460 3.500 50 40 GGGB O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc(Oc2ccccc2)cc1 408974021 UXWVHEFKYJACGC-HYARGMPZSA-N 375.384 3.273 50 40 GGGB O=C(COC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)Nc1cc(F)ccc1F 252477220 KHYNCKZLYLMQIL-LQBHMHGISA-N 388.208 3.400 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC(=O)O 5006550 VUPZEJMNQMUHQG-JXEBCEQSSA-N 386.448 3.151 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2cc(C)ccc2OC)c1 4387254 GLAKHFBVYBLBAR-OEAKJJBVSA-N 399.447 3.155 50 40 GGGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)OC)cc1 2424171 BJOVLHCMUCXZNP-NTCAYCPXSA-N 375.384 3.129 50 40 GGGB Cn1c(CC(=O)NNC(=O)c2ccccc2Nc2ccccc2)nc2ccccc21 12627408 TYTMLSVIGXVEIA-UHFFFAOYSA-N 399.454 3.321 50 40 GGGB C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1cc(Cl)c2c(c1)OCCCO2 61484722 TVQIRKPQZUBZDA-RISCZKNCSA-N 397.928 3.189 50 40 GGGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 58884763 ZVORAOGIZMETKZ-SSDVNMTOSA-N 397.818 3.296 50 40 GGGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2)cc1 408845657 QUSSCNMNFYCSDP-OEAKJJBVSA-N 389.411 3.417 50 40 GGGB Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1 6208692 USMTYMXZWGLESB-OAHLLOKOSA-N 386.423 3.020 50 40 GGGB CCOc1cc2c(cc1/C=N\NC(=O)c1cc3cccc(OC)c3o1)OCO2 36145025 MKWZWEOIVAXQHQ-FBHDLOMBSA-N 382.372 3.333 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c(OC)c1 33615007 RKUHQOJNPKJTNX-WSDLNYQXSA-N 394.383 3.426 50 40 GGGB O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(CCc2ccccc2)C1 68774184 GLQDLSHSYQBSAB-HNNXBMFYSA-N 391.393 3.240 50 40 GGGB CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1O 408534179 VDLIBIHPFKMVSZ-AUEPDCJTSA-N 381.354 3.372 50 40 GGGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C 408586420 BUJDQNFYBPHJSF-WSDLNYQXSA-N 393.403 3.170 50 40 GGGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc2c(c1)OCCO2 16955900 XOXJEWANTOPFPI-WSDLNYQXSA-N 396.834 3.369 50 40 GGGB C/C(=N\NC(=O)c1cccc(I)c1)c1ccccc1O 18122091 VVOBOCWTMHCQBQ-LICLKQGHSA-N 380.185 3.151 50 40 GGGB O=C(NNC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)c1ccncc1 101024295 KGUSTGVPZDCCDZ-PQJGELLGSA-N 375.472 3.381 50 40 GGGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(OC)c1OC 4526067 NQNQLBWYXYRDDG-SRZZPIQSSA-N 384.388 3.231 50 40 GGGB CSCc1ccc(C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)cc1 40159777 UALHIQSZFLELOM-UHFFFAOYSA-N 398.406 3.408 50 40 GGGB C/C(N)=C(\C#N)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CC(C)C 104783264 PBRWLALKXLIMAS-KAMYIIQDSA-N 390.896 3.123 50 40 GGGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccc(C(C)(C)C)cc1 5375426 GAUVRRBQELAEJK-IBGZPJMESA-N 384.432 3.105 50 40 GGGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)n1 6189206 YCTCXSVDCNNDMM-CIAFOILYSA-N 377.404 3.220 50 40 GGGB O=C(N[C@H](Cc1ccccc1)C(=O)N(CCCl)CCCl)c1ccccc1 1693836 ZJHRRBJLUJRPOA-GOSISDBHSA-N 393.314 3.334 50 40 GGGB Cc1c(Cl)cccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 102622778 FZXKEKPUTZRFRZ-SJSAEFMNSA-N 384.657 3.158 50 40 GGGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(SC(F)F)cc1 10889719 ZUHQIWGTKZVRDE-UHFFFAOYSA-N 375.400 3.486 50 40 GGGB Cc1cc(C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)c(C)o1 3411280 BXMWQOUEZQYMSQ-UHFFFAOYSA-N 394.427 3.315 50 40 GGGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3ccc(F)cc3)o2)c1 409364461 YBVGWVQDWFFGHE-WYMPLXKRSA-N 395.390 3.435 50 40 GGGB COc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 27402770 QLFHNPDHUPLZCN-UHFFFAOYSA-N 389.411 3.022 50 40 GGGB CCOc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1O 409255208 YKQQMKCVNVJMDK-BOPFTXTBSA-N 395.415 3.355 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OC)c1OC 409237221 ILJYLCWJWLWJOY-PDGQHHTCSA-N 380.444 3.368 50 40 GGGB COc1cc(/C=N/NC(=O)CSCc2ccccc2C)cc(OC)c1OC 1090186 DHAJKABIEQWPEN-SRZZPIQSSA-N 388.489 3.404 50 40 GGGB COC(=O)COc1cccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1 5510931 KNJVMQGOWRUXTC-KEBDBYFISA-N 392.864 3.134 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 40140383 DJMLRJFTXWGAGQ-UWVGGRQHSA-N 378.778 3.478 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OC 58871516 KLRUMHGSCFBAJP-VXLYETTFSA-N 393.237 3.326 50 40 GGGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccccc1 862299 PQVVKRMQPSEQIH-NTCAYCPXSA-N 393.424 3.140 50 40 GGGB O=C(O)CC/C(=N\NC(=O)c1ccccc1Br)c1ccccc1 4614409 JCJNMNUAUMUNEI-XDJHFCHBSA-N 375.222 3.448 50 40 GGGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1 5646498 QZTJQZFBMCACPT-KRWDZBQOSA-N 386.411 3.390 50 40 GGGB Cc1c(C(=O)N/N=C/c2c(O)ccc3ccccc23)sc2ncnc(N)c12 408973924 QTJJOTGYMIJWBL-LIMNOBDPSA-N 377.429 3.205 50 40 GGGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 408607917 FQRRBQFFXYBAAG-YDZHTSKRSA-N 387.867 3.285 50 40 GGGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 408922932 HQAFYJDUYXCMLQ-RIYZIHGNSA-N 397.387 3.475 50 40 GGGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1O 83327807 POJLKYRBUAFQLY-ODLFYWEKSA-N 375.222 3.483 50 40 GGGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@H]2C1 4115116 CMICIOIYNYWQMJ-RDJZCZTQSA-N 383.377 3.061 50 40 GGGB CC(C)=NO[C@]1(c2ccc(Br)cc2)OC(N)=C(C#N)C1=C(C#N)C#N 100234306 FWVVPZUEYMNAGU-KRWDZBQOSA-N 398.220 3.082 50 40 GGGB CCOC(=O)[C@@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1 1652299 KKPNLRXPWMWDBR-ZJUUUORDSA-N 381.020 3.357 50 40 GGGB Cc1cc(OCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2O)ccc1Cl 67196962 OHAMXMPYLJUOIB-JJFYIABZSA-N 398.850 3.377 50 40 GGGB CCNC(=S)NNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc12 8681131 OUMOCZYTTNFGNH-UHFFFAOYSA-N 394.500 3.429 50 40 GGGB COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)Nc1ccccc1OC 409107850 RJOYRHUARXIYGJ-HMAPJEAMSA-N 398.463 3.468 50 40 GGGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccccc2)cc1 408779833 LTWVACFNDDGYBZ-UHFFFAOYSA-N 385.489 3.237 50 40 GGGB CCCCOc1ccc(/C=N/NC(=O)c2nn(CC)c(=O)c3ccccc23)cc1 6509432 HSWNFBALZQPFCG-HZHRSRAPSA-N 392.459 3.359 50 40 GGGB O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4ccccc4N1[C@H]25)C/C3=C/CBr 104103108 PYCYURJYTDMNSJ-SENUDKJFSA-N 397.316 3.399 50 40 GGGB O=C(NCCOc1ccc2c(c1)OCO2)NNc1ccc(OC(F)(F)F)cc1 47130032 NRKGJPYIUOJEKV-UHFFFAOYSA-N 399.325 3.019 50 40 GGGB COc1cc(C(=O)N/N=C/c2ccccc2C)ccc1I 408746706 FXEALGCOCUMENA-VCHYOVAHSA-N 394.212 3.372 50 40 GGGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 104390614 GANMRXLETNTBCV-QINSGFPZSA-N 397.412 3.228 50 40 GGGB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)CCCl)s1 4903723 HPSSPDDIEXUSKQ-JTQLQIEISA-N 396.925 3.175 50 40 GGGB COc1c(Cl)cc(Cl)cc1/C=N\NC(=O)c1[nH]ncc1Br 13597283 DXGLMNDLPSOXOD-XRVIQIRUSA-N 392.040 3.252 50 40 GGGB COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1 4387257 WEADIZQMJXBUQO-FYJGNVAPSA-N 384.392 3.046 50 40 GGGB O=C(O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc4c(c3)OCO4)o2)cc1 16184409 SLJILAGNJSINLG-FBHDLOMBSA-N 378.340 3.137 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 708301 QXJLSOKDNSDIIH-FYJGNVAPSA-N 394.387 3.167 50 40 GGGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)c1 718595 JMAXCWZXIPSZIK-QGZVFWFLSA-N 392.390 3.451 50 40 GGGB COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 8488642 DSAPWEIKSCFWHM-AWEZNQCLSA-N 394.427 3.086 50 40 GGGB COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(OC)c1OC 4524097 LFUOSSQQEHIFTG-LSHDLFTRSA-N 382.338 3.495 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1 409097397 MKAWINMAIKXHGG-HYARGMPZSA-N 383.448 3.077 50 40 GGGB CCN1c2ccccc2C2=C([C@H](c3cccc(F)c3)C(C#N)=C(N)O2)S1(=O)=O 20558375 JVFPBHVGOTZWEG-QGZVFWFLSA-N 397.431 3.172 50 40 GGGB O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1 2630024 GRMVRTQDLXAZHE-VQHVLOKHSA-N 393.226 3.011 50 40 GGGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1cc(Cl)ccc1O 100923102 HIKGZTMKCJYHEV-WSDLNYQXSA-N 388.855 3.246 50 40 GGGB O=C(COc1cccc(Cl)c1)N/N=C/c1cc(Br)ccc1O 704560 IKYRQNBDMXKEDD-QGMBQPNBSA-N 383.629 3.337 50 40 GGGB Cc1cc(C(=O)NN[C@H](C(=O)N2CCCC2)c2ccccc2)c2ccccc2n1 15510607 TWVYSKZRULECGS-NRFANRHFSA-N 388.471 3.141 50 40 GGGB C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 23055131 KQHISDZVKSENHC-IUODEOHRSA-N 380.473 3.272 50 40 GGGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1cccc2ccccc12 2131902 AOYABUMXUWOCPP-UHFFFAOYSA-N 398.846 3.407 50 40 GGGB COc1ccc(SCC(=O)N/N=C\c2ccc(N3CCOCC3)cc2C)cc1 409074856 SPNDBOLQKMHSMZ-HMAPJEAMSA-N 399.516 3.083 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1OCC 45924418 TTXHAWBPWVPTJV-HYARGMPZSA-N 386.448 3.412 50 40 GGGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C(F)(F)F)cc1 1001961 ONGKYMQTLCEPPO-YVNNLAQVSA-N 394.309 3.250 50 40 GGGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)cc1 2374936 QAHUZDHOCTXRFN-ZVHZXABRSA-N 390.443 3.430 50 40 GGGB COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c2ccccc12 8336679 VVWIBYJZLIGRCP-SRZZPIQSSA-N 380.473 3.498 50 40 GGGB C/C(CC(=O)Nc1ccc(Cl)cn1)=N\NC(=O)Cc1ccc(Cl)cc1 101535690 VRLWRZJZEXOIST-SSDVNMTOSA-N 379.247 3.452 50 40 GGGB CCCCNC(=O)/C(C#N)=C\N1CCN(c2cccc(C(F)(F)F)c2)CC1 102820805 WBHZTQFVBDOZFT-PFONDFGASA-N 380.414 3.151 50 40 GGGB CCOC(=O)C(=C(C#N)C#N)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 3200344 CDAKWNGNGPBSLF-NBVRZTHBSA-N 389.455 3.357 50 40 GGGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1Cl 3628421 JMADPNOKDHVFJR-IBGZPJMESA-N 380.787 3.299 50 40 GGGB N#CC(C(=O)COC(=O)CCc1c[nH]c2ccccc12)=C1Nc2ccccc2N1 6538265 MTZIUFNUFIDFIO-UHFFFAOYSA-N 386.411 3.486 50 40 GGGB C#CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC 409142357 JXJHXRDFMJSNNZ-SFHVURJKSA-N 382.803 3.284 50 40 GGGB C[C@H](Oc1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1)C(=O)O 39557401 BDQDNWCDOGJZOK-LUYJPIOASA-N 399.410 3.242 50 40 GGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C 408707940 MTRLCKCPSPSVCI-NSMHLIOHSA-N 382.464 3.112 50 40 GGGB O=C(N/N=C/c1ccccc1I)c1cccnc1Cl 6473567 FFMHLBRFPMTPEZ-CAOOACKPSA-N 385.592 3.104 50 40 GGGB C/C(=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1cccs1 20057907 HGGLOFLXEHQDLX-QNGOZBTKSA-N 390.940 3.060 50 40 GGGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2c(c1Cl)OCO2 803901 AXAOAMCPBFXOCZ-CQSZACIVSA-N 394.770 3.393 50 40 GGGB CCc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19861380 SNDYHDINRQBAIO-BUVRLJJBSA-N 398.938 3.170 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1O 35189315 CSLPRLSHANLRNJ-ZVBGSRNCSA-N 397.309 3.021 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O 409195739 VSODYHUYNHYZEG-DNTJNYDQSA-N 397.214 3.229 50 40 GGGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(F)cc3)C2=O)cc1 1888509 DNAHVQPLERDBQC-XUMLYMLNSA-N 381.432 3.046 50 40 GGGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/C=C\c1ccccc1[N+](=O)[O-] 12375283 VRAYFUBETQWEMJ-PJOPPIIISA-N 381.417 3.379 50 40 GGGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)c1C 6984091 KGBGOANAMCAZKO-ZDUSSCGKSA-N 396.365 3.431 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C2/CCSc3c(F)cccc32)n1 84114606 YXHWASVTMBCEQB-STZFKDTASA-N 376.482 3.341 50 40 GGGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1 408797748 CSGDDLABLYFCPW-FOWTUZBSSA-N 380.400 3.403 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 409269638 LAEZSRLGPNGELZ-OHHQFBAHSA-N 397.862 3.408 50 40 GGGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c1C 408786608 LIIMNYJMMCGXAU-SXGWCWSVSA-N 382.420 3.443 50 40 GGGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 32799284 LMTUPBSSVWKLCN-NTUHNPAUSA-N 381.344 3.268 50 40 GGGB O=C(COc1ccccc1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 103041268 MESXLWIQEJBNIR-YYDJUVGSSA-N 385.423 3.133 50 40 GGGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 3067286 HHUOJXXENXERFC-FSJBWODESA-N 387.867 3.141 50 40 GGGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 657480 JZUJXWFBTPVSPZ-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB CCn1c(SCC(=O)N/N=C\c2ccc(C)o2)nnc1-c1ccc(C)cc1 4679574 WYRSQQRHUBAZSG-JAIQZWGSSA-N 383.477 3.417 50 40 GGGB O=C(N/N=C\c1ccc(Br)o1)C(O)(c1ccccc1)c1ccccc1 33301382 YLJOSQLGCHXGBM-BKUYFWCQSA-N 399.244 3.428 50 40 GGGB N#C/C(=C\c1ccc(OCCn2cc(C(=O)O)nn2)c(Cl)c1)c1ccccn1 584907954 CBQZDYMUXAPKKH-NTEUORMPSA-N 395.806 3.168 50 40 GGGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2c(C)cccn2c1=O 2406432 AYSUMMMGKNNYPP-SDNWHVSQSA-N 393.374 3.404 50 40 GGGB O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)c1ccccc1Cl 19535133 QPQZDPOVSYXKNP-NMWGTECJSA-N 396.878 3.264 50 40 GGGB O=C(O)CCC/C=C/C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1CNNC(=O)Nc1ccccc1 136242981 RJNDVCNWVBWHLY-KHJJFOPISA-N 387.480 3.308 50 40 GGGB in-vitro Cc1occc1C(=O)N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1 2646417 KQHPFSNRGOGJKI-FYJGNVAPSA-N 396.472 3.312 50 40 GGGB CC(C)C[C@]1(C)NC(=O)N(CC(=O)NN(c2ccccc2)c2ccccc2)C1=O 2647311 XQAKZBNFMOQDIX-QFIPXVFZSA-N 394.475 3.213 50 40 GGGB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)c1 5185843 BRYPJYROOSSSCS-KRWDZBQOSA-N 390.399 3.018 50 40 GGGB Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccco3)c3c(C)noc3n2)s1 14337374 FNYKKZYLUVLVMH-UHFFFAOYSA-N 382.401 3.236 50 40 GGGB Cn1cc(Br)c(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)n1 1092113 IUCFXTAIDAOHNO-FZSIALSZSA-N 376.041 3.253 50 40 GGGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccco1 1102905 HRZQGHAWICUNLD-GIDUJCDVSA-N 388.015 3.274 50 40 GGGB Cc1c(C(=O)Nc2ccccc2)cc(C#N)c2[n+]1[C@@H](CBr)CS2 13015019 MIQQLDFXPIJWFQ-AWEZNQCLSA-O 389.298 3.448 50 40 GGGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)NNC(=O)c1ccccc1 5871015 SVECWAASDITUBS-FOWTUZBSSA-N 375.359 3.454 50 40 GGGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC3)=C2C#N)cc1 6454144 OQQUWRMONQMSSG-OAHLLOKOSA-N 387.530 3.103 50 40 GGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 6562975 SGWUWPGMNJWQLN-FYJGNVAPSA-N 391.387 3.108 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Cl)c1OCC(=O)O 2252163 SITKZYRYFYHRPB-QGMBQPNBSA-N 382.825 3.028 50 40 GGGB O=C(N/N=C/c1ccc(-c2ccc3c(c2)COC3=O)o1)c1ccc([N+](=O)[O-])cc1 408974211 XBSJEAABJHQKTD-UFFVCSGVSA-N 391.339 3.289 50 40 GGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c(OC)c1 1105773 VFWVVDXSKRKHLB-QGZVFWFLSA-N 376.368 3.028 50 40 GGGB biogenic CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408612200 UNAWHXGQIMRBDL-LSHDLFTRSA-N 394.258 3.159 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1O 48572906 WEHSYIYTQDAQDL-AWQFTUOYSA-N 396.230 3.187 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1)c1ccn(Cc2ccc(Br)cc2)n1 1089301 XKOHZRJXHMCKMX-RGVLZGJSSA-N 399.248 3.163 50 40 GGGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 6180062 USMFLRYDPVAXDK-CIAFOILYSA-N 393.355 3.405 50 40 GGGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cc([N+](=O)[O-])ccc1Cl 17080717 DSPCUMYATZDGPQ-HNNXBMFYSA-N 394.774 3.308 50 40 GGGB Cc1ccc(Cl)cc1NC(=O)[C@H](Br)[C@@H](Br)C(=O)O 1739550 MAUKWNXOENKBJU-RKDXNWHRSA-N 399.466 3.199 50 40 GGGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\NC(=O)c1cccnc1 4823790 DASAJPZSXSWVBU-XKZIYDEJSA-N 379.291 3.438 50 40 GGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N32)cc1 12275012 AFPIWUYFAAXWKC-UTKZUKDTSA-N 396.443 3.477 50 40 GGGB CN1[C@H]2CC[C@@H]1C=C1C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@H]12 12371975 WHMVSIICGXGYPV-UCVSXLDNSA-N 375.863 3.226 50 40 GGGB COc1cc(/C=C/C(=O)NNC(=O)c2cccc(Cl)c2)ccc1OC(F)F 3327879 KYUJBNBCXJIAJP-SOFGYWHQSA-N 396.777 3.424 50 40 GGGB O=C(O)c1cc(-c2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)o2)ccc1Cl 409261520 DLPPMEUPFLQSHP-NMONLQQWSA-N 398.802 3.482 50 40 GGGB N#CC1=C(N)n2nc(C(F)(F)F)nc2N[C@H]1c1c(Cl)cccc1Cl 4292529 MMBIBGNECHFLHJ-SECBINFHSA-N 375.141 3.421 50 40 GGGB biogenic CCN1C=CC2=C(C#N)[C@@H](N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@@H]2C1 95405714 RVFTYZUZLXPIGM-NZSAHSFTSA-N 397.404 3.449 50 40 GGGB CCN(CC)C(=O)CN1C(=O)/C(=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21 5728040 LXKZPQQGEFQOPX-PGMHBOJBSA-N 399.454 3.212 50 40 GGGB CC1CCN(Cc2ccc(CNC(=O)NNC(=O)c3ccccc3)cc2)CC1 29729994 WEWHHQWSNANYSV-UHFFFAOYSA-N 380.492 3.063 50 40 GGGB CCOc1ccc(/C(C)=N/NC(=O)CC2(C)SCCS2)cc1[N+](=O)[O-] 38534978 ZHEMCMQGGMNTJK-GZTJUZNOSA-N 383.495 3.420 50 40 GGGB N#C/C(=C\c1cc(Cl)ccc1OCC(N)=O)C(=O)Nc1ccc(Cl)cc1 409219658 OTIKURLVGKCYGV-KPKJPENVSA-N 390.226 3.403 50 40 GGGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC 409131242 NTZGHFXRPVEPCF-HXUWFJFHSA-N 379.460 3.380 50 40 GGGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 408813510 XUFCIOTZOUZDBA-CXDFQFJYSA-N 378.428 3.413 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC#N 408747729 SDMAEGUQGWXALJ-SXGWCWSVSA-N 381.819 3.474 50 40 GGGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccc(Br)cc1 96576520 STMOTOLXNKAZHH-RGVLZGJSSA-N 399.248 3.413 50 40 GGGB COc1cc(N(CCCl)CCCl)ccc1/C=N/NC(=O)c1cccnc1 1667951 BCDGHWXBKFEHFN-LPYMAVHISA-N 395.290 3.138 50 40 GGGB COc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccccc3)c2)c1 8167152 IEKVORVPKNDLML-UHFFFAOYSA-N 389.411 3.022 50 40 GGGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@@H]2C1 5690491 ZDYAIAYAGVDPCR-SJLPKXTDSA-N 397.404 3.451 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2cccn2-c2cccc(C(=O)O)c2)cc1C 409102408 ZJFWMDTYGZRZHL-ZMOGYAJESA-N 390.443 3.355 50 40 GGGB COc1ccccc1/C=N/NC(=O)c1c(C)nc2ccc(Br)cn12 408822651 QKAFTQCZMLVBCF-DJKKODMXSA-N 387.237 3.178 50 40 GGGB COc1ccc(/C=C2/C(=N)N(c3ccc(C)cc3)C(=O)C(C#N)=C2N)cc1OC 226761469 IATZVPQMXMFMRG-NFFSQDDPSA-N 388.427 3.156 50 40 GGGB CCOc1cc(/C=C/C(=O)NNC(=O)Cc2ccccc2)ccc1OC(F)F 13012951 NEVGHOUZGCQWKO-PKNBQFBNSA-N 390.386 3.090 50 40 GGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 19947737 TXVYYCTYIDADIO-UHFFFAOYSA-N 385.489 3.318 50 40 GGGB FC(F)(F)C1(C(F)(F)F)N[C@@H]2[C@H](Br)C[C@@H]1[C@H]2Br 100121922 JWJVSPNLWDYONI-TXICZTDVSA-N 390.947 3.369 50 40 GGGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 100182312 HERSTKAHKKQYRA-VZJMDRLZSA-N 396.241 3.339 50 40 GGGB CCOc1ccc2oc(C(=O)N/N=C/c3ccccc3N3CCOCC3)cc2c1 409188259 XXZAKTWWVGFDRN-HZHRSRAPSA-N 393.443 3.432 50 40 GGGB CCCCNC(=S)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 6329527 CUFLYILHYSNJFO-UHFFFAOYSA-N 379.489 3.206 50 40 GGGB O=C(N/N=C/c1c(F)cccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 409005452 IXJFLHGRSARDSM-YDZHTSKRSA-N 387.842 3.482 50 40 GGGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2cccc(N(C)C)c2)cc1 408852016 PNIDFLJCVSEFCX-XQNSMLJCSA-N 375.476 3.373 50 40 GGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1cccc([N+](=O)[O-])c1 408591246 SHJTXZHCDVHHTN-LZYBPNLTSA-N 393.153 3.029 50 40 GGGB C=CCOc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 409263379 JAACSNARCHJMKV-OQLNFPPLSA-N 391.471 3.317 50 40 GGGB CCOc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1 3148137 RRSSYFRJMHZUKN-RGVLZGJSSA-N 376.254 3.410 50 40 GGGB COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 15229923 HJKDZVMXEUHDBQ-YBEGLDIGSA-N 390.399 3.351 50 40 GGGB COc1ccccc1NCC(=O)N/N=C(\C)c1ccc(Br)cc1 12574903 BXCSAPRYZATVSL-UDWIEESQSA-N 376.254 3.410 50 40 GGGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 59515246 FIGCLTCVTNUQKK-LPYMAVHISA-N 381.432 3.360 50 40 GGGB COc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)ccc1O[C@@H](C)C(=O)O 409015804 BLRBAPIAMFYOGJ-ASKIBSTCSA-N 391.811 3.356 50 40 GGGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cccc(Br)c1 13896880 RSGCGAVCGPYPEE-ZVCOJXFSSA-N 375.222 3.129 50 40 GGGB COc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(OC)c1 408532939 RPBUIVKLFWCGBI-AUEPDCJTSA-N 381.354 3.285 50 40 GGGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc(Cl)cc1 27638245 RVFCKFOFJZEFEY-UHFFFAOYSA-N 383.791 3.260 50 40 GGGB COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2sc(C)c(C)c2C#N)c1C 5007789 VAVIQCBGSHHGTK-RQZCQDPDSA-N 382.489 3.314 50 40 GGGB CNS(=O)(=O)c1ccc(N/C=C(/C#N)c2nc3cc(Cl)ccc3o2)cc1 5334839 AFZUGHHPWPJTOZ-KHPPLWFESA-N 388.836 3.366 50 40 GGGB COc1cc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O 1421635 NMJOEFAZDSMGLH-AWQFTUOYSA-N 396.230 3.187 50 40 GGGB biogenic N#CC(=C(\N)Sc1ccccc1N)/C(C#N)=C(/N)Sc1ccccc1N 100016090 DVEXZJFMOKTQEZ-WHYMJUELSA-N 380.502 3.123 50 40 GGGB aggregator CCCCCn1c(O)c(C(=O)N/N=C/c2ccccn2)c(=O)c2ccccc21 5736179 NDLZGWVEQQAVPG-OEAKJJBVSA-N 378.432 3.056 50 40 GGGB CCOc1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1OC 5841549 CWWJVVVTNQTRRI-UHFFFAOYSA-N 393.399 3.093 50 40 GGGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)cc1 408598978 MQBAAURULHAQPN-CIAFOILYSA-N 393.355 3.405 50 40 GGGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC(C)C)cc2)c1 408799544 ZUTPJASAXYQGQJ-GZTJUZNOSA-N 393.443 3.144 50 40 GGGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccccc1F 2266842 YYKWBTLNIQOOHI-DHRITJCHSA-N 393.418 3.258 50 40 GGGB Cc1c(NC(=O)/C(C#N)=C/c2cc(F)ccc2F)c(=O)n(-c2ccccc2)n1C 40139690 UAMLGMKFIBTSSR-XNTDXEJSSA-N 394.381 3.308 50 40 GGGB CCOc1ccc(O)c(/C=N/NC(=O)c2cc(Br)ccc2OC)c1 8812977 NNFAVXPATSPWDI-VXLYETTFSA-N 393.237 3.326 50 40 GGGB COc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2cccc(C)c2)cc1OC 818278 HARPWZCIJWXLET-SFHVURJKSA-N 381.457 3.312 50 40 GGGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2c(cc1Cl)OCO2 873842 AJSZPSAIJXHHOL-INIZCTEOSA-N 394.770 3.393 50 40 GGGB COc1ccc(OC)c(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2)c1 3083881 ZKAAWUNAZPNLGP-CIAFOILYSA-N 389.839 3.226 50 40 GGGB Cc1ccc(O)c(/C=N/NC(=O)c2ccc(I)cc2)c1 10476079 CLVKBQHBVOVHSH-RQZCQDPDSA-N 380.185 3.069 50 40 GGGB C/C(=N/NC(=O)COc1ccc(C)c(C)c1)c1c(C)nn(-c2ccccc2)c1O 408955488 OTFXEPACMRORDC-KQWNVCNZSA-N 392.459 3.422 50 40 GGGB COc1ccc2cc(OCC(=O)NNC(=O)Nc3cccc(C)c3)ccc2c1 20408281 LBPKAJDIZPTRBJ-UHFFFAOYSA-N 379.416 3.389 50 40 GGGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccc2c(c1)OCO2 409346334 KLORSXOSGPHAIL-ZVBGSRNCSA-N 397.318 3.487 50 40 GGGB C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)Cc1ccccc1Cl 8752637 YTMULVCWWIRFQZ-NSHDSACASA-N 388.880 3.140 50 40 GGGB CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)[nH]n1 4816257 ZXNBONROCVRIGB-SRZZPIQSSA-N 380.404 3.429 50 40 GGGB Cc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)cc1 20207912 JLPZMDVXKKJMNK-UHFFFAOYSA-N 393.553 3.470 50 40 GGGB COc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1 409005691 JRZQUEQAVKUAKB-HZHRSRAPSA-N 379.460 3.006 50 40 GGGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 408723036 PRVHPDJVFHGFKN-QFNQPASFSA-N 396.241 3.339 50 40 GGGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1C 14822430 QURWXRHOFFDMKL-HUUCEWRRSA-N 390.867 3.339 50 40 GGGB Cc1c(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc(N)c1C#N 4853763 COXAYYYYHKFAMH-ZVBGSRNCSA-N 395.400 3.443 50 40 GGGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc2c1OCO2 7993687 IOOKARIEVRIJFG-UFWORHAWSA-N 378.837 3.320 50 40 GGGB CC(C)c1c(C(=O)NNC(=O)c2ccccn2)cnn1-c1cccc(Cl)c1 32794994 MRRLQGFCBHMRKD-UHFFFAOYSA-N 383.839 3.119 50 40 GGGB O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1ccco1 3174999 JYGQRQQGOFAEQI-WINQIOIRSA-N 377.444 3.459 50 40 GGGB COC(=O)[C@@H]1C(=O)NC(SCc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1 409125843 FJXOUFOXGYQTOX-ROUUACIJSA-N 396.443 3.497 50 40 GGGB COc1cc(C(=O)N/N=C/c2ccccc2)ccc1I 408746958 IOCHQTJFGRWUKY-LICLKQGHSA-N 380.185 3.064 50 40 GGGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 6325200 JBYMVDOFUNHGQO-CQSZACIVSA-N 377.897 3.280 50 40 GGGB CC(C)CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 20244081 YIOTUPDHMRMZEK-QIWJOQEQSA-N 381.476 3.439 50 40 GGGB N#CSc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 4797923 MPPMDPBPNFJMKD-DHDCSXOGSA-N 398.831 3.492 50 40 GGGB C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 13595744 IJHGKHQONYFQAE-UDWIEESQSA-N 389.249 3.303 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCCOc1cccc(C)c1 7654150 NUFNFJGAIYMPST-UHFFFAOYSA-N 376.840 3.277 50 40 GGGB CCOc1ccccc1OCC(=O)NNC(=O)Cc1c(Cl)cccc1Cl 2639766 ABFUHCNIRCWDLO-UHFFFAOYSA-N 397.258 3.161 50 40 GGGB C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)c1cc2ccccc2cc1O 4697910 XXFKKXOEDFITAV-ZVHZXABRSA-N 376.416 3.383 50 40 GGGB COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1 12275605 BWBUAFAOZISIFH-UTKZUKDTSA-N 396.443 3.477 50 40 GGGB O=C(/C=C/c1ccc(F)cc1)NNC(=O)CCC(=O)Nc1ccccc1Cl 4699534 CHBOORXJUGUALM-JXMROGBWSA-N 389.814 3.059 50 40 GGGB Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1-c1cccc([N+](=O)[O-])c1 408775431 STERLBWJDTXZCV-MTJSOVHGSA-N 378.388 3.472 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H](C)SCc1ccccc1 40140380 RJSQIBPHVQOHHK-LBPRGKRZSA-N 378.881 3.432 50 40 GGGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2c(C)cccn2c1=O 2211548 LRLYGLPHWBHHFK-NTCAYCPXSA-N 375.384 3.265 50 40 GGGB O=C(NNc1ncnc2c1cnn2-c1ccc(F)cc1)c1cccc(Cl)c1 17149948 JTFDRWNULBAAKH-UHFFFAOYSA-N 382.786 3.365 50 40 GGGB O=C(CCc1nc2ccccc2s1)NNC(=O)c1ccccc1-n1cccc1 8180596 XQPJRHCLVBJGRH-UHFFFAOYSA-N 390.468 3.481 50 40 GGGB CN1/C(=C(\C#N)C(=O)Cn2cnc3sccc3c2=O)Sc2ccccc21 103055549 QVCGCTGTZUOTDW-PDGQHHTCSA-N 380.454 3.004 50 40 GGGB CCOC(=O)COc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 818644 FTGTVEOKIKWFPZ-IBGZPJMESA-N 396.443 3.079 50 40 GGGB COc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc(OC)c1OC 831087 GQFNZVAIACZLKB-OMBDHMDGSA-N 388.489 3.484 50 40 GGGB Cc1ccc(S(=O)(=O)CC(=O)NNc2nc3c(C)ccc(C)c3s2)cc1 5271704 COJDJCCLSLSTOX-UHFFFAOYSA-N 389.502 3.139 50 40 GGGB O=C(CCCC[C@H]1CCSS1)NCCn1cnc2ccsc2c1=O 575610006 JAZWJYDONOJZLP-LBPRGKRZSA-N 383.564 3.288 50 40 GGGB CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c1 6265128 DYMMYKXINOFNPF-UHFFFAOYSA-N 391.880 3.078 50 40 GGGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(SC)cc3)CC2=O)cc1 6962982 IAKZDWHVIHBUFJ-QPNANDPSSA-N 397.500 3.310 50 40 GGGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc(NC(C)=O)c1 33734703 DQDFADOSQMQTSX-BKUYFWCQSA-N 397.435 3.163 50 40 GGGB Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)[C@H]1Cc3ccc(C)cc3S1)C2 40158860 KWKNEEMOKHMCRG-QZTJIDSGSA-N 384.526 3.185 50 40 GGGB CCN(CC)c1ccc(C(=O)NNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 3319593 WVVRHYPHOBRPNM-RIYZIHGNSA-N 397.475 3.024 50 40 GGGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N(C)C 5071105 IPSROTMGAWVXCG-LFIBNONCSA-N 390.443 3.493 50 40 GGGB Oc1ccc(Nc2ncnc3[nH]cnc23)cc1CN(CCCl)CCCl 66252144 CMBHHCIYERSJRO-UHFFFAOYSA-N 381.267 3.082 50 40 GGGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)c2ccccc21 408770800 AUEUZGGDQIQZIU-GDNBJRDFSA-N 389.411 3.369 50 40 GGGB C/C(=N\NC(=O)OC(C)(C)C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 7947588 NMLLVRHMBXKWSH-XMHGGMMESA-N 381.498 3.110 50 40 GGGB C=CCc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)cc(OCC)c1O 408844068 BSRZDPONUMRUGZ-UCQKPKSFSA-N 397.475 3.115 50 40 GGGB O=C(N/N=C/c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 409006466 NZRPQOQQQSLPFD-YDZHTSKRSA-N 387.842 3.482 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC#N 409376527 YUZZYBADMXUOFF-FOKLQQMPSA-N 377.322 3.380 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)O 5512803 ICZZNGMXQLBRND-DNTJNYDQSA-N 397.214 3.229 50 40 GGGB CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccc(Cl)c4)[C@H]3[C@@H]1CC2 100207229 SRXGHYFYLFKBSY-FZDIXFNVSA-N 375.863 3.226 50 40 GGGB Cc1cccc(-n2ncc(C(=O)NNC(=O)c3cc4c(s3)CCC4)c2C)c1 12870871 CXGVBWNFSYDAAJ-UHFFFAOYSA-N 380.473 3.114 50 40 GGGB O=C(N/N=C/c1ccc(Br)cc1)c1cccc(Cn2cccn2)c1 1081749 GNPMQCFWEVBZPW-UDWIEESQSA-N 383.249 3.458 50 40 GGGB O=C1S[C@@H](Nc2ccc(Br)cc2)C(=O)N1CCBr 12113057 VUKBUAFWKBBVKB-SECBINFHSA-N 394.088 3.277 50 40 GGGB CCOC(=O)/C(C#N)=C/c1c(NC#N)c2ccc(N(CC)CC)cc2oc1=O 2286405 FTFSCUJLWIVLMH-UKTHLTGXSA-N 380.404 3.002 50 40 GGGB CCOC(=O)[C@H](Br)[C@H](Br)c1cccc([N+](=O)[O-])c1 1602079 DPSIHSJLCLCPHI-NXEZZACHSA-N 381.020 3.357 50 40 GGGB CCCN1C(=O)[C@@]2(c3ccccc31)[C@H]1C[C@H](C)CC=C1C(C#N)=C(N)C2(C#N)C#N 36046624 JWLAABFKBCATAV-YOQPTCTGSA-N 397.482 3.437 50 40 GGGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1 12982809 KFKYSOULJGBPOY-SNVBAGLBSA-N 375.787 3.189 50 40 GGGB N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)NC(N)=O 409250547 QZRNEORMVHZECK-UITAMQMPSA-N 394.612 3.464 50 40 GGGB O=C(NNC(=O)c1cccc2ccccc12)c1ccc(=O)n(Cc2ccccc2)c1 16839277 ZCPDLLYCHZDPJS-UHFFFAOYSA-N 397.434 3.125 50 40 GGGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)o1 1082949 ZGFILJRKAJGSLI-RKCSUWQLSA-N 381.388 3.365 50 40 GGGB CN(C)c1ccc(/C=N\NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1 30846380 DYQYOFYQLMCDLW-JJFYIABZSA-N 381.867 3.415 50 40 GGGB COc1ccc2ccc(OC)c(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2c1 107850417 GKDAQHGXULTCPA-XKZIYDEJSA-N 393.399 3.458 50 40 GGGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CN2CCCC2)cc1 4525831 WYHSQVQMBHWSJK-BUVRLJJBSA-N 387.487 3.394 50 40 GGGB CCOc1ccc(C(=O)NNC(=O)CSc2nc3ccccc3n2CC)cc1 6507525 MOFANPMLHUZYQR-UHFFFAOYSA-N 398.488 3.008 50 40 GGGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc(Cl)c1O 4735388 BWFAJYVVIQOBIX-SRZZPIQSSA-N 392.839 3.154 50 40 GGGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc2ccccn2c1 78808955 KWXRXWNANHGPFK-UHFFFAOYSA-N 385.423 3.446 50 40 GGGB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)c(C)c1 408607673 UFRGAVBWRMBOIB-QGZVFWFLSA-N 398.488 3.340 50 40 GGGB COc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)cc1 408590298 OPYYBNGCJGPDGY-VCHYOVAHSA-N 392.209 3.059 50 40 GGGB C/C(=N\NC(=O)Cc1ccccc1)c1cccc(I)c1 408773407 QYLUPEODEQGZKO-LDADJPATSA-N 378.213 3.374 50 40 GGGB COc1ccc(/C=N/NC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 33957713 NAFUABCPRHSSBC-SSDVNMTOSA-N 379.338 3.193 50 40 GGGB CCOc1cc(C(=O)NN)cc(Br)c1OCc1cccc(F)c1 216837145 CZMCVLSYMOVSFI-UHFFFAOYSA-N 383.217 3.169 50 40 GGGB O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1C1CCCCC1 217366624 BUNAMEKZEQPHFL-BKUVIOGVSA-N 393.119 3.241 50 40 GGGB Cc1ccc(OCc2ccc(C(=O)N/N=C/c3c(C)nn(C)c3F)o2)cc1C 252497457 QIJIHNPCVJPCBB-LSHDLFTRSA-N 384.411 3.420 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(OC)c1OC 5032079 HUQHULKVJNECJC-JYRVWZFOSA-N 383.360 3.166 50 40 GGGB Cc1cccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 19955269 LRHPMIFWWHFGBA-HYARGMPZSA-N 395.484 3.065 50 40 GGGB CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 5475463 OLIXLHYNGWYSPO-VXLYETTFSA-N 393.237 3.326 50 40 GGGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1COc2ccccc2O1 4952406 MPQFJUKDQXNXNL-POJBONIESA-N 393.355 3.145 50 40 GGGB COc1ccc(OC)c(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1 21967265 VJEBYMFFLVBXTP-UHFFFAOYSA-N 388.489 3.499 50 40 GGGB COc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409020893 VISQCBGKASSZFC-DJKKODMXSA-N 377.784 3.306 50 40 GGGB Cc1cc(O)nc(N2CCC(NC(=O)CCCC[C@H]3CCSS3)CC2)n1 238821320 CSDFVPVXWGVCLT-HNNXBMFYSA-N 396.582 3.290 50 40 GGGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)ccc1OC(C)=O 668378 FQJBUTXJHRBJPE-UFFVCSGVSA-N 390.823 3.111 50 40 GGGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccccc1C#N 711111 HVLUXCOZCNCTKX-FSJBWODESA-N 393.834 3.235 50 40 GGGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(N)=O)cc1 934843 TVIUJECSBBNISR-HGBKYHTQSA-N 377.469 3.215 50 40 GGGB C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cccc([N+](=O)[O-])c1 59922127 GPOVPBWIOOEFKP-RQZCQDPDSA-N 378.182 3.217 50 40 GGGB Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(F)cc3)C2=O)c1 1888489 PDXJCVORKDCMBS-IMGOXIFKSA-N 381.432 3.046 50 40 GGGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 408746839 WLCSRUWBEGZSFD-AWNIVKPZSA-N 381.344 3.268 50 40 GGGB CN(C)c1cccc(C(=O)N/N=C/c2ccccc2I)c1 408553059 WLOXMDLHNSVAAD-WOJGMQOQSA-N 393.228 3.121 50 40 GGGB COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1ccccc1 226335154 CTBXGZCAIIKKKF-BQYQJAHWSA-N 377.238 3.040 50 40 GGGB NNC(=O)c1cn(C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc12 226767008 UMJKVMRWUXBVJW-UHFFFAOYSA-N 390.355 3.102 50 40 GGGB C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 5035009 PZIBGEPFMJMDQO-WSDLNYQXSA-N 378.259 3.458 50 40 GGGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(Br)ccc2OC)c1 8812664 CPMWVBWVXCHUGN-VXLYETTFSA-N 393.237 3.239 50 40 GGGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1 28215276 JKBGZHDJBPYVJC-ZMOGYAJESA-N 391.427 3.047 50 40 GGGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(O)cc3O)cc2)cc1 58900633 USXIODQVBICNCW-YDZHTSKRSA-N 389.411 3.422 50 40 GGGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 1102816 ZYWLJTTZSHLXIS-IBUSPFOHSA-N 385.423 3.321 50 40 GGGB CNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2c(C)cccn2c1=O 5556533 NGISCKWCPDICPU-LFIBNONCSA-N 388.427 3.065 50 40 GGGB COc1ccc(OC)c(/C=N/NC(=O)Cc2ccc(Br)cc2)c1 4735339 CZDBSLHDGMNEFP-YBFXNURJSA-N 377.238 3.159 50 40 GGGB Cc1cc(OCC(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)ccc1Cl 408951303 IMCVQFIQIBYXBG-UHFFFAOYSA-N 376.762 3.217 50 40 GGGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C\c1ccc(Cl)cc1 33352703 IJRNYZDEWZHRST-JAIQZWGSSA-N 399.863 3.137 50 40 GGGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 863784 FYMYSPBMZAAQEF-QGMBQPNBSA-N 389.824 3.367 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCC(C)C)c2C)cc1Cl 408970837 LCAMJKJZJGSOQC-FOKLQQMPSA-N 388.899 3.278 50 40 GGGB O=C(CCc1ccco1)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 12729031 IEZGMEGPVZXUGD-UHFFFAOYSA-N 386.411 3.284 50 40 GGGB NNC(=O)[C@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1 4741341 USUICNGERNRQQU-AWEZNQCLSA-N 396.878 3.055 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1O 409263505 HIQIANPVRVNZBV-AWQFTUOYSA-N 396.230 3.187 50 40 GGGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccccc1 33789014 QHZGODLWSYEWBS-WQZUMXOESA-N 397.475 3.247 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1O 15225920 AOARXPCRJZDZSV-WJDWOHSUSA-N 397.862 3.310 50 40 GGGB Cc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 5600030 AMQUKJWKJDBGRI-HYARGMPZSA-N 380.448 3.266 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 4750806 JPTMSBVYKYZXHH-MFKUBSTISA-N 398.466 3.371 50 40 GGGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 704319 CXDFORFAILDJBA-QGZVFWFLSA-N 391.383 3.377 50 40 GGGB CCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NC)N(c3ccccc3)C2=O)cc1 2231253 JQCSCSXQNOAYBI-ODXGNSPJSA-N 391.496 3.421 50 40 GGGB COc1ccc(CSCC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)cc1 15226223 WSXXINUICQDPCJ-HYARGMPZSA-N 385.489 3.427 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1OCC 408871919 ZODRHRBAKWQJQE-HYARGMPZSA-N 384.432 3.188 50 40 GGGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 38179682 OMKMHCSQBYWHCF-RGVLZGJSSA-N 384.392 3.049 50 40 GGGB CC(=O)NS(=O)(=O)c1ccc(N/C=C(\C#N)c2nc3ccccc3s2)cc1 2422114 RZUJBEGBGBATBK-ACCUITESSA-N 398.469 3.098 50 40 GGGB Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)c1C 7379591 JXQFOFMLTOFDEY-UHFFFAOYSA-N 378.519 3.094 50 40 GGGB O=C(NN=Cc1ccccc1)c1ccccc1OS(=O)(=O)c1ccccc1 26505387 BJVVYXZFBMJBIM-UHFFFAOYSA-N 380.425 3.218 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ncccn3)c2C)cc1 28217096 DCJNNSUIZXBJPA-FSJBWODESA-N 379.489 3.435 50 40 GGGB COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC(C#N)=C(N)N21 408603272 FJNQISHPFWIXJP-MRXNPFEDSA-N 384.461 3.032 50 40 GGGB COC(=O)COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 4544616 YYFUJCNENBSYRY-LSHDLFTRSA-N 380.322 3.021 50 40 GGGB C/C(NNC(=O)CC(C)C)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 9183837 YWSOCQYJJVTNTN-SILNSSARSA-N 376.460 3.378 50 40 GGGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 100620908 XYCZIUBCVLDZIH-ROUUACIJSA-N 392.367 3.270 50 40 GGGB CC(C)(C)c1ccc(OCC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1 955937 HRORKAYKILRFMA-UHFFFAOYSA-N 396.896 3.026 50 40 GGGB CCCCc1[nH]nc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)C(C#N)=C(N)O2 4148807 ZEXXRARWFUJPDI-UHFFFAOYSA-N 387.484 3.107 50 40 GGGB O=C1Nc2ccccc2/C1=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12 7784983 AJINTZRBQIJTJV-UHFFFAOYSA-N 393.406 3.383 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c([N+](=O)[O-])cc1OC 409050908 CVNJEVYRCPYNNY-DJKKODMXSA-N 377.784 3.338 50 40 GGGB O=C(COc1ccccc1Cl)N/N=C\c1cccn1-c1cccc(C(=O)O)c1 409098508 ISJBNMLZBRFOBE-UUYOSTAYSA-N 397.818 3.358 50 40 GGGB CCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(Br)c1O 44060617 IBDPVIPVFICNOG-NVMNQCDNSA-N 379.210 3.023 50 40 GGGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 12868957 SAOWZVLWEJJDKI-UHFFFAOYSA-N 379.460 3.234 50 40 GGGB CCCC1=C(C(=O)OCC)[C@@H](c2cc3ccc(C)cc3[nH]c2=O)C(C#N)=C(N)O1 931598 FNJZKYQMVTTWAH-SFHVURJKSA-N 393.443 3.262 50 40 GGGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(OC)cc2nc1Cl 1223587 LWFVLGFFCNJJLP-MRXNPFEDSA-N 385.807 3.151 50 40 GGGB O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1ccccc1 4866220 IAJIDYPMDRCSGP-UHFFFAOYSA-N 376.412 3.106 50 40 GGGB Cc1cccc(-n2cccc2/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1 6967862 RVKXIVUZHATUDA-CIAFOILYSA-N 379.489 3.435 50 40 GGGB Cc1cc2c(c(=O)o1)[C@H](c1ccc(F)cc1Br)C(C#N)=C(N)O2 688798 CBRZIQFKSLCCQV-CYBMUJFWSA-N 377.169 3.068 50 40 GGGB CCOC(=O)/C(C#N)=C\c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 54281452 HQDSGAQQCQGWBG-PGMHBOJBSA-N 375.472 3.479 50 40 GGGB COc1ccc(C(=O)NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 16508332 TXHVUEKJZVPVCI-CYBMUJFWSA-N 377.444 3.376 50 40 GGGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)o2)c1 408726621 UIKQFRLXZOEWSB-UFFVCSGVSA-N 378.340 3.137 50 40 GGGB C=CCOc1cccc(/C=N/NC(=O)c2cc(Br)ccc2O)c1 6303856 YFUPBHZGPHIMOW-YBFXNURJSA-N 375.222 3.483 50 40 GGGB Cc1ccc(C)c(OCCC(=O)NNC(=O)c2ccc(Br)cc2)c1 2725767 CBSVRHBMBLNWMP-UHFFFAOYSA-N 391.265 3.296 50 40 GGGB CC(C)(C)C(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@@H]2C1 4457887 RLBHERGLZQZNOF-IAGOWNOFSA-N 391.500 3.046 50 40 GGGB N#C/C(=C1/C(=O)Nc2ccc(Br)cc21)c1nnc2n1CCCCC2 5574474 BQJHMGZCGFHENQ-QINSGFPZSA-N 384.237 3.153 50 40 GGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(O)c(OC)c2)cc1 408792904 MGHDMZJUVYGXDU-NTUHNPAUSA-N 386.791 3.386 50 40 GGGB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN)n2-c2ccccc2)cc1 36724696 SSWOZPAJPMDHKJ-UHFFFAOYSA-N 381.505 3.314 50 40 GGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 33777452 IAXIGCGZFBPGKV-UDWIEESQSA-N 394.343 3.456 50 40 GGGB O=C(CC(=O)Nc1cccc(C(F)(F)F)c1)N/N=C/c1ccc([N+](=O)[O-])cc1 826166 JUWSTBULTSIYRF-UFFVCSGVSA-N 394.309 3.093 50 40 GGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1Cl 59459555 GCKOUNCKCWLYHI-LSFURLLWSA-N 399.756 3.456 50 40 GGGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 59444419 NBAMZZOGMSIQKR-AWQFTUOYSA-N 380.231 3.399 50 40 GGGB COCCNC(=O)/C(C#N)=C/c1cn(Cc2ccccc2F)c2ccccc12 1750441 YZXJDNWQJCFEOW-SFQUDFHCSA-N 377.419 3.498 50 40 GGGB O=C(CCSc1ccccc1)NNC(=O)c1ccc(Br)s1 6510544 IDKWXZQNBKAVBD-UHFFFAOYSA-N 385.308 3.454 50 40 GGGB COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NNC(=O)C2CC2)c1 14240058 ZOMCQUXBICLDOZ-UHFFFAOYSA-N 390.443 3.027 50 40 GGGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCC#N 8812565 ZINXIVKPKWQGLN-RGVLZGJSSA-N 388.221 3.124 50 40 GGGB O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1cccc(Br)c1 59515990 QYHKUGNQBZZLJM-GIJQJNRQSA-N 380.629 3.191 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1 409251171 TULPGRGMUUPKPB-WZMONFQBSA-N 396.399 3.101 50 40 GGGB CC(C)CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408706945 FMTWWJDFUMONQD-FOKLQQMPSA-N 390.846 3.445 50 40 GGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Cl)c(O)c2ncccc12 59459127 DRHDRSZKFOKTAN-UFFVCSGVSA-N 384.779 3.195 50 40 GGGB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 3448307 KROFYIFDVRANMC-CXDFQFJYSA-N 389.455 3.181 50 40 GGGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 13140945 VZXRURIPTYRNHE-CYBMUJFWSA-N 383.379 3.018 50 40 GGGB CC/C=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 4187583 NQAYUMKYNLMPFW-RGVLZGJSSA-N 393.896 3.356 50 40 GGGB O=C1N=C(NNC(=O)c2ccncc2)S/C1=C\c1cccc(Cl)c1Cl 6584111 WSZSDQCGZSAOAT-WQLSENKSSA-N 393.255 3.293 50 40 GGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 408934193 BHXLYJHLWAURRH-XIJPWPHISA-N 388.899 3.421 50 40 GGGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccccc1I 409385195 GPSZPKSNEHMOBE-ZROIWOOFSA-N 391.212 3.387 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(SC#N)c1O 409050025 ZNJRLHUIZSNVRE-XGICHPGQSA-N 396.384 3.428 50 40 GGGB Cc1cccc(OCc2ccc(C(=O)N/N=C/c3c(C)nn(C)c3F)o2)c1C 252488789 IZAMMMIUFKPLSY-LSHDLFTRSA-N 384.411 3.420 50 40 GGGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 7385176 SRUHDUZSJSYXIE-XQNSMLJCSA-N 377.444 3.071 50 40 GGGB CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccccc1 2238075 NPYITBWNSAWPDQ-ODUYVQIQSA-N 391.496 3.476 50 40 GGGB CCn1c(SCC(=O)N/N=C\c2ccccc2O)nnc1-c1ccc(C)cc1 30750375 NYNSYAZNPDLWPA-MTJSOVHGSA-N 395.488 3.221 50 40 GGGB Cc1ccc(CNC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)cc1 6476418 QLBJOFLPEKKVBX-SFHVURJKSA-N 391.496 3.383 50 40 GGGB N#Cc1ncc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)nc1N 104196073 PYCALBZARPCWIO-UHFFFAOYSA-N 396.434 3.157 50 40 GGGB COc1ccccc1C(=O)N/N=C/c1cc(Br)c(N2CCCC2)o1 59249259 OJIMCHQYJWCCEK-YBFXNURJSA-N 392.253 3.415 50 40 GGGB N#CC(C(=O)COC(=O)CCC(=O)c1cccs1)=C1Nc2ccccc2N1 3348074 VKDBYOMCXRVJHA-UHFFFAOYSA-N 381.413 3.096 50 40 GGGB O=C(N/N=C/c1ccccc1F)C1CCN(C(=O)c2ccccc2Cl)CC1 409007502 WYAXLRNRYFSMIZ-YDZHTSKRSA-N 387.842 3.482 50 40 GGGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1 408969434 NLHPOTMDPRRFOP-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2)s1 408730551 HWDCZIJHAWRTCU-VCHYOVAHSA-N 379.873 3.013 50 40 GGGB COc1cc(/C=N/NC(=O)CSc2ccccc2)cc(Br)c1O 1021246 FRRKVOGHMUFWPR-GIJQJNRQSA-N 395.278 3.406 50 40 GGGB COc1ccc(-c2n[nH]c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1OC 5095149 AXWGHJVEYRIOOQ-QGZVFWFLSA-N 390.399 3.018 50 40 GGGB COc1ccc(C(=O)NNC(=O)CSc2nc3ccccc3cc2C)cc1 4161023 OBILDGLATBIROY-UHFFFAOYSA-N 381.457 3.105 50 40 GGGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1O 1480521 BRMBAZXRKVURBM-QGZVFWFLSA-N 376.368 3.115 50 40 GGGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc([N+](=O)[O-])cc(OC)c1O 110482168 QQZXERVMELRFHY-SRZZPIQSSA-N 395.371 3.235 50 40 GGGB CC(=O)Nc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 3209853 KOSUULQHISUNDA-AUEPDCJTSA-N 378.354 3.226 50 40 GGGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1O[C@@H](C)C(=O)O 409234652 OLQDDSKUWGYQFG-GVIGZQTCSA-N 384.363 3.232 50 40 GGGB COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccc(O)c(O)c3)c2c1 871124 UWPQUYNAIFBSCV-UFFVCSGVSA-N 397.456 3.205 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(OC)c1 6646222 GAYDKWKIGKOBTD-WSDLNYQXSA-N 394.383 3.426 50 40 GGGB Cc1ccccc1-n1nc(-c2cccnc2)cc1C(=O)N/N=C/c1ccncc1 3305750 UNDXFQRTHGZVLR-AFUMVMLFSA-N 382.427 3.402 50 40 GGGB COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 4721069 RXHVUOZFPPMTNZ-CIAFOILYSA-N 379.372 3.286 50 40 GGGB CCOc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c(OCC)c1 409252252 CXMZJCWAIFAHSX-UDWIEESQSA-N 387.392 3.165 50 40 GGGB CCCCCCC(=O)NN/C=C1\C(=O)N(c2ccccc2C)C(=S)N=C1O 38160771 SBANKHDRVOBQND-OWBHPGMISA-N 388.493 3.058 50 40 GGGB Cc1ccc(O[C@@H](C)C(=O)N/N=C/c2ccccc2O)c(Br)c1 943553 OJDUNMJBKKLAEW-NJDFMEINSA-N 377.238 3.381 50 40 GGGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 6182334 ZGAJJCVIVVAJNS-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB C/C(=N\NC(=O)N/N=C(\C)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 5381597 MYEOLMDUZRITIW-QAOSGDJLSA-N 380.496 3.266 50 40 GGGB NNC(=O)CCc1ccc(-c2ccc(Br)cc2Br)o1 226345028 GIYCYIYVNVCVTO-UHFFFAOYSA-N 388.059 3.394 50 40 GGGB Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)NCC(F)(F)F)c(C)n1CC(C)C 28668806 RLKWFASQESXMCA-OUAKBRRNSA-N 399.413 3.278 50 40 GGGB CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1 409005155 CTTVERSDZQICIR-GZTJUZNOSA-N 394.427 3.491 50 40 GGGB CCOC(=O)Cn1cc(/C=N/NC(=O)Cc2ccc(CC)cc2)c2ccccc21 409363736 MVTFZJWCYWWWMX-ZVHZXABRSA-N 391.471 3.460 50 40 GGGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(C)cc1 409364312 WFNDCTLMLUZQLP-BKUYFWCQSA-N 385.261 3.462 50 40 GGGB C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccoc1C 9553697 KANTWFYWZAWAQC-AATRIKPKSA-N 376.228 3.128 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1O 409182022 HOLPIIHPSSWAJI-KEBDBYFISA-N 391.265 3.473 50 40 GGGB COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 33740773 BDIACTDCVKQTDE-JCMHNJIXSA-N 396.447 3.287 50 40 GGGB COc1ccc(CCNC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)cc1 1456712 IPFRNDSTNJEXNT-OVCLIPMQSA-N 384.819 3.343 50 40 GGGB O=C(NCc1ccco1)NNc1nc2c(-c3ccccc3)nnn2c2ccccc12 4483431 HABKWADXUGSZQQ-UHFFFAOYSA-N 399.414 3.364 50 40 GGGB C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 12362355 DHNIDDAVEWFDNF-LDADJPATSA-N 388.405 3.277 50 40 GGGB COc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 3085822 UOTYRADRFCUMSF-KCOUNZPASA-N 387.439 3.317 50 40 GGGB C[C@H]1CCc2sc(C(=O)NNC(=O)c3c[nH]nc3-c3ccccc3)cc2C1 8709819 REDAGKGITIMJDP-LBPRGKRZSA-N 380.473 3.338 50 40 GGGB COc1ccc(COC(=O)N/N=C(\C)CC(=O)NCCc2ccccc2)cc1 14921854 MNZDWGGADYAUDZ-XQNSMLJCSA-N 383.448 3.046 50 40 GGGB biogenic COc1ccc(OC)c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1 408532782 QZVUIECGYSNDFF-AUEPDCJTSA-N 381.354 3.285 50 40 GGGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1O 8108812 ZZORZZUWLKJRQV-QGMBQPNBSA-N 395.824 3.205 50 40 GGGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 6548896 KRNGWOUYIHIPFM-LCYFTJDESA-N 378.819 3.326 50 40 GGGB O=C(Cc1ccc(F)cc1)N/N=C/c1cc2c(cc1Br)OCO2 8523088 PXIDXNHXQIJUSG-UFWORHAWSA-N 379.185 3.010 50 40 GGGB CC(C)(C)c1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 107859037 KXYJPOICUBIMOK-STZFKDTASA-N 393.553 3.029 50 40 GGGB C[C@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O 12579864 ILWZOZIUBKAEMX-WVCJAJDESA-N 395.459 3.388 50 40 GGGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cn1 2297763 QDXUXOLFNLGQHA-WSDLNYQXSA-N 376.372 3.333 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1Br 408741381 LPCAXJCTFKFPRZ-YBFXNURJSA-N 375.222 3.483 50 40 GGGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1C)c1ccc(C)cc1 4871506 IARLQXWWPWMSBV-RCCKNPSSSA-N 379.489 3.423 50 40 GGGB Cc1cc(/C=N\NC(=O)CN2CCOCC2)c(C)n1-c1ccc(C(C)(C)C)cc1 408997756 SSBLLBYAGVLOAD-IWIPYMOSSA-N 396.535 3.174 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(OC)c(Br)c2)c(OC)c1 704717 NCZZVKSNZYVGGE-VXLYETTFSA-N 393.237 3.239 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1OC 59387076 YIYDWKVGORWXHE-LPYMAVHISA-N 393.399 3.313 50 40 GGGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)C(=O)Nc1cccc(Cl)c1 107728438 SDEOJQQHRNGVIK-JYRVWZFOSA-N 378.819 3.326 50 40 GGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)o2)cc1 1243127 NVXKXKKJLDVIQT-RXULLKCLSA-N 392.411 3.307 50 40 GGGB N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2ccco2)c2ccccc21 2239429 ZKTDZLWZNGWASN-ZZEZOPTASA-N 396.406 3.021 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OC)c(OC)c1)c1ccccc1 408979249 LSLUTMOUENFYHA-NIZGNDASSA-N 399.447 3.031 50 40 GGGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 36247458 ZLGVMBXSAYTCRC-LPYMAVHISA-N 391.383 3.497 50 40 GGGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(SC)cc3)CC2=O)cc1 409156420 ODRHMKXZUAHJAZ-RIWZNOJBSA-N 381.501 3.474 50 40 GGGB FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](Br)[C@H]1C[C@H]2Br 100121917 JWJVSPNLWDYONI-SQOUGZDYSA-N 390.947 3.369 50 40 GGGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)O)cc2)c1 59249440 CPHLBDWBFUQHBB-VQCBNXJZSA-N 380.400 3.483 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccs2)ccc1OC(=O)c1cccnc1 3527312 MGZVFVFNIIGMSQ-SRZZPIQSSA-N 381.413 3.135 50 40 GGGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)OC)cc1 4205631 ZRDHIZMMNLDSPH-FOWTUZBSSA-N 389.411 3.438 50 40 GGGB COc1cccc(NC(=S)NNC(=O)c2cc(Br)cs2)c1 8306600 TYQFRXXDQDAICM-UHFFFAOYSA-N 386.296 3.151 50 40 GGGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OC 34713936 OPEUJMCKRVGHBI-JAIQZWGSSA-N 391.811 3.348 50 40 GGGB CCN1C(=O)[C@]2(C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)c2ccccc21 49947102 LAHOHDPCDVZXAM-QFIPXVFZSA-N 397.463 3.346 50 40 GGGB CCCCCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 12137559 ZERQWKVIITXHJR-CQSZACIVSA-N 387.505 3.209 50 40 GGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)c1 5513163 QQHUHWHVDXRMIV-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB Cn1c(=O)n(C)c2cc([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)ccc21 3640166 WUMBDSOMGGHEJT-HXUWFJFHSA-N 382.423 3.248 50 40 GGGB COc1ccc([C@H]2[C@H](O)C(c3c[nH]c4ccccc34)=NN2C(=O)CCl)cc1 12475442 NBHBZOXYVBCAMQ-VQTJNVASSA-N 383.835 3.064 50 40 GGGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 101141794 PUGHPOIPTHGZMK-MHWRWJLKSA-N 382.803 3.185 50 40 GGGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)c1 2213515 MPXMPSBEHPOIJZ-IBGZPJMESA-N 389.411 3.025 50 40 GGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1 2254321 OZMWMOOOLNWWKA-IBGZPJMESA-N 389.411 3.025 50 40 GGGB CCc1ccc(OCC(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 2379881 DPIFMZBGVMOBDV-UHFFFAOYSA-N 381.354 3.500 50 40 GGGB C=CCn1c(C)c(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c2ccccc21 409172432 HXRIUGMNIYBGBQ-WYMPLXKRSA-N 390.443 3.427 50 40 GGGB Cc1cc(OCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)ccc1Cl 6160794 JUGACYSNJPGNSN-UHFFFAOYSA-N 397.818 3.412 50 40 GGGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CNc2cccc3ccccc23)c1O 36157540 PZUKYZHFFZEBJF-SSDVNMTOSA-N 394.387 3.024 50 40 GGGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccco1)c1ccc([N+](=O)[O-])cc1 408995645 CXXGSDASDXKINP-UDWIEESQSA-N 378.344 3.204 50 40 GGGB COc1ccc(/C(C)=N\NC(=O)COc2cccc(Cl)c2)cc1[N+](=O)[O-] 5638493 MPCOHRNUBONKDX-ODLFYWEKSA-N 377.784 3.176 50 40 GGGB CCOc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1O 409232906 IYMXAPKRSMFSDZ-WPBJZHHJSA-N 381.388 3.483 50 40 GGGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2cc(Cl)ccc2o1 409016380 RWYSJLHDWSCFQL-FBCYGCLPSA-N 387.735 3.487 50 40 GGGB COc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1OC 5095148 AXWGHJVEYRIOOQ-KRWDZBQOSA-N 390.399 3.018 50 40 GGGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(N(CC)CC)o2)cc1 83301682 KTIZQPFINUHQTG-OMNSNBSWSA-N 387.480 3.488 50 40 GGGB Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1 100505637 QVHPNNKEAQLJHC-OLZOCXBDSA-N 398.260 3.334 50 40 GGGB O=C(OC(CCl)CCl)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102145586 DBLKCCYWADWLPI-YXAMBPQSSA-N 396.270 3.225 50 40 GGGB CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 3059250 BJPLPLOYPCIHHL-SSDVNMTOSA-N 379.338 3.193 50 40 GGGB CN1C(=O)/C(=N\NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21 15219510 SWHXUXSLPVWLFM-NTKFOSSBSA-N 395.462 3.490 50 40 GGGB COc1cccc(OC)c1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 84081315 YBEDBXKPFSNLFP-UHFFFAOYSA-N 393.443 3.186 50 40 GGGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)C(C)(C)C 408907522 PZUHEQXYOWFKRN-VCHYOVAHSA-N 394.324 3.298 50 40 GGGB CCOC(=O)Cn1cc(/C=N/NC(=O)Cc2ccc(C)cc2)c2ccccc21 409366845 ZJCOIHQEYABAEF-YDZHTSKRSA-N 377.444 3.206 50 40 GGGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccco1 1078851 OXCGRSPWMGLKBM-UDWIEESQSA-N 378.344 3.204 50 40 GGGB C[C@H](OCCCNC(=O)NNC(=O)c1cn(C)c2ccccc12)c1ccccc1 32795538 RQGFCFIFTAZUBA-INIZCTEOSA-N 394.475 3.290 50 40 GGGB C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 1425056 RMBPTVLQKITDTD-VKPPLCHCSA-N 398.238 3.336 50 40 GGGB N#CC1=C(N)n2nc(C(F)(F)F)nc2N[C@@H]1c1ccc(Cl)cc1Cl 4292522 JYPIIUHDZPSFMO-SECBINFHSA-N 375.141 3.421 50 40 GGGB biogenic CCn1ncc(Br)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253407351 VZUDWLDFWLKAOQ-CYBMUJFWSA-N 391.269 3.116 50 40 GGGB Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(O)c(O)c2)c(Br)c1 805116 YCIGALMJCHNDRX-UFWORHAWSA-N 393.237 3.006 50 40 GGGB CO[C@H](C(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1 831051 ZKJUFWMQYBKOGA-ARFNDINWSA-N 391.221 3.016 50 40 GGGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 3668903 RGCYFDAQNCLGPS-FSJBWODESA-N 387.867 3.141 50 40 GGGB CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(OCC)c1 6961744 OUNGTUGRXVBLCM-RGVLZGJSSA-N 388.493 3.133 50 40 GGGB CCCC(=O)NN(C(=O)Nc1ccc(C)cc1)c1nc(C(=O)OCC)cs1 3768076 XFXSVQDFBUFKPL-UHFFFAOYSA-N 390.465 3.498 50 40 GGGB Cc1cc(C(=O)NN[C@@H](C(=O)N2CCCC2)c2ccccc2)c2ccccc2n1 15510605 TWVYSKZRULECGS-OAQYLSRUSA-N 388.471 3.141 50 40 GGGB O=C(N/N=C/c1cccc(O)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409006347 NFURGGLOIUELNY-LPYMAVHISA-N 385.851 3.048 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OC 16438025 WEAURJRGNZBNMM-MDWZMJQESA-N 379.254 3.386 50 40 GGGB CCc1ccc(C[C@H]2S/C(=C(\C#N)C(N)=O)N(c3ccccc3)C2=O)cc1 2236069 PHDNDLLKAXLBFJ-DTBMRADHSA-N 377.469 3.161 50 40 GGGB COC(=O)[C@H]1C(=O)NC(SCc2cccc(F)c2)=C(C#N)[C@@H]1c1ccccc1 409124902 BUQAYOTURWOSMV-ZWKOTPCHSA-N 396.443 3.497 50 40 GGGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1cccc(Br)c1 408739468 CBDKOIWAVXEQBX-YODDIOPGSA-N 399.248 3.204 50 40 GGGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1N1CCCCC1 40128988 IELBCAROUAYIOX-UHFFFAOYSA-N 382.508 3.049 50 40 GGGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(CC)cc3)CC2=O)cc1 8083994 PYCRNASCNCAXOD-TTXZLZEXSA-N 379.460 3.151 50 40 GGGB O=C(CNC(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(Cl)cc1 58161206 YLROLUUGWQUUEC-UHFFFAOYSA-N 393.874 3.480 50 40 GGGB C=CCOc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1I 4506803 XFFINDCWGKASRN-MDWZMJQESA-N 396.228 3.288 50 40 GGGB CCCCn1nc(C(=O)N/N=C(\C)c2cc(F)ccc2O)c2ccccc2c1=O 7785912 GJSMMSTYKNRTPS-YDZHTSKRSA-N 396.422 3.195 50 40 GGGB COc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2C)cc1OC 9111441 WNBCISALQRUWME-SFHVURJKSA-N 381.457 3.312 50 40 GGGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1Cl 25703383 JPHOTBNINPEOSU-BLLMUTORSA-N 388.598 3.296 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1O[C@@H](C)C(=O)O 409014349 OYAIQQVMOLGZCB-FBKCMUNRSA-N 380.400 3.401 50 40 GGGB COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1O 230167260 CSTFGGJEJBVLQF-STLQYAKVSA-N 381.270 3.440 50 40 GGGB COc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)C(F)(F)F)c2)cc1 662697 VWYKWTCTYKHIIU-KSEXSDGBSA-N 379.338 3.350 50 40 GGGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1 104783348 OVLWPMVMVJDROD-VBKFSLOCSA-N 379.445 3.253 50 40 GGGB CC[C@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O 8197065 RILKQBAOQOJBFI-URTGMZOISA-N 385.420 3.329 50 40 GGGB O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cccnc1 10038629 GMMHLKGHPLIROF-WSDLNYQXSA-N 376.372 3.333 50 40 GGGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cn(CC(N)=O)c2ccccc12 107636184 PFQKDICOKPWRKI-APSNUPSMSA-N 394.438 3.135 50 40 GGGB O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444695 QNUWNXYMSYKWRG-OEAKJJBVSA-N 389.411 3.060 50 40 GGGB Cc1cccc(NCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c1 1444809 XEIYFXUEIWSJEG-DNTJNYDQSA-N 390.237 3.048 50 40 GGGB Cc1ccc(CSCCNC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 26256381 VGGBPVFXBMTFTF-UHFFFAOYSA-N 396.516 3.364 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1O 408869632 SUMRMDJPGFVBLX-CXUHLZMHSA-N 382.416 3.031 50 40 GGGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCC3)c2C)c1 408974044 WJUCTBJMCZJEIF-OEAKJJBVSA-N 380.492 3.174 50 40 GGGB COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 33591511 SBWFPPVGMLCVDL-JYQBEENSSA-N 394.258 3.330 50 40 GGGB CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cccc1c32 95115717 QLNUEKFAHRWHDF-QHCPKHFHSA-N 387.439 3.198 50 40 GGGB O=C(NNC(=S)Nc1ccccc1-c1ccccc1)c1cc(O)ccc1O 1616040332 HEKQOUNGBQYNLQ-UHFFFAOYSA-N 379.441 3.396 50 40 GGGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)S(=O)(=O)c1ccc(Cl)cc1 2581813 CVWZSALHPLHKJU-WLRTZDKTSA-N 392.776 3.315 50 40 GGGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)COc1ccc(Cl)cc1 409089501 NXFDJKCZAJXPBP-LPYMAVHISA-N 387.867 3.014 50 40 GGGB COc1ccc(CCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1OC 6786801 GOHHLVLHDSHMBV-UHFFFAOYSA-N 397.258 3.404 50 40 GGGB COc1cc(Br)c(O)c(/C=N/NC(=O)Cc2ccc(C)cc2C)c1 20194844 NEFQKIDZKFSFHS-KEBDBYFISA-N 391.265 3.473 50 40 GGGB CN(c1ccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1)S(C)(=O)=O 409120242 VZYPWUCLCRXJFA-KGENOOAVSA-N 387.505 3.144 50 40 GGGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cccc(I)c1 409382832 RPDGFSXJNAOQDS-ZSOIEALJSA-N 391.212 3.387 50 40 GGGB COC(=O)c1ccccc1-c1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)o1 33575635 NDWSISCIPQIFMT-MTJSOVHGSA-N 393.355 3.405 50 40 GGGB COc1ccc(OCC(=O)N/N=C\c2cccn2-c2ccc(OC)cc2)cc1 33662213 DCOAIDUGCLTPDX-HMAPJEAMSA-N 379.416 3.024 50 40 GGGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 33367088 VQNLQQHCIDLJTC-DTHVTWRFSA-N 385.420 3.474 50 40 GGGB O=C(NNS(=O)(=O)c1ccc2c3c(cccc13)CC2)c1ccc(Cl)cc1 226861177 ZJOAMHYDBXYHSY-UHFFFAOYSA-N 386.860 3.215 50 40 GGGB Cc1cccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 5747733 YXPNDMXHFQUOIM-CAOOACKPSA-N 378.182 3.135 50 40 GGGB C/C(=N\NC(=O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1)c1ccc(C)cc1 5578643 AHKLZPGLMUFJDG-RCCKNPSSSA-N 377.404 3.302 50 40 GGGB Cc1ccc(S(=O)(=O)/C(C#N)=C\N2CCN(c3ccccc3)CC2)cc1C 102820884 ORIRMYYDWTYCRQ-PGMHBOJBSA-N 381.501 3.264 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@]12C(=O)Nc1ccc(Cl)cc12 846307 RUNHHNDGVIUTSM-HXUWFJFHSA-N 389.802 3.055 50 40 GGGB C/C(=N/NC(=O)CNC(=O)c1ccccc1Br)c1ccc(C)cc1 12447454 KDOSIDGOOVTEAA-BKUYFWCQSA-N 388.265 3.028 50 40 GGGB Cc1ccc(CSCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C)cc1 408994555 GQPSTZJTVOPSSV-RGVLZGJSSA-N 386.477 3.353 50 40 GGGB COc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1F 8301485 UJARGWQUDHBZCT-GDXASINISA-N 386.423 3.079 50 40 GGGB O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1cccnc1-n1cccn1 67475030 ACZYYDSYZFTBHN-UHFFFAOYSA-N 378.314 3.315 50 40 GGGB COc1ccc(CC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)cc1 408950978 HCPLZZVQIFUUOG-KQWNVCNZSA-N 376.460 3.245 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)NCCOC)ccc1OCc1ccccc1 33932381 SSNSTHNCQQJVFG-UYRXBGFRSA-N 380.444 3.334 50 40 GGGB CCOC(=O)c1c(C)[nH]c(C(=O)N/N=C\c2ccc(Br)cc2)c1C 33381691 SGCLBCAAGJECMI-OCKHKDLRSA-N 392.253 3.335 50 40 GGGB CC(=O)Nc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 31670116 HASCOPFGWGVVTR-JLPGSUDCSA-N 387.439 3.031 50 40 GGGB O=C1/C(=C\c2ccccc2O)SC(=S)N1CN(CCCl)CCCl 68562336 LGVPALCBRFUQSV-UKTHLTGXSA-N 391.345 3.331 50 40 GGGB O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(C(=O)N/N=C/[C@H]2C[C@@H]3C=C[C@H]2C3)o1 104106871 AFAUUXNDJLKADH-QIACALLISA-N 392.459 3.135 50 40 GGGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 16758781 QLWIEDTVYPEOJG-JQSQVVPISA-N 383.860 3.252 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCC(=O)O 408804196 DAAUYBJXZLSHJN-NTEUORMPSA-N 384.363 3.233 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(C)=O 4953611 UVTLEXQNJMUUDQ-OQLLNIDSSA-N 395.371 3.383 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccccc1 408983450 BSZPYCZWHZTSFJ-YDZHTSKRSA-N 378.407 3.322 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OC 408873453 UHJAGNKALAVEHI-LICLKQGHSA-N 396.443 3.334 50 40 GGGB CCOc1ccccc1/C=N/NC(=O)c1ccc(CSc2nncn2C)cc1 3222140 IEZZYIDEGRVQAK-CIAFOILYSA-N 395.488 3.270 50 40 GGGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)N1C1CCCCC1 4156971 BUNAMEKZEQPHFL-WRWGMCAJSA-N 393.119 3.241 50 40 GGGB CCOc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 690929 AHMGSYDGKUGKIT-IBGZPJMESA-N 380.492 3.298 50 40 GGGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1 59437069 ZLUHOCZJAOLNCO-YDZHTSKRSA-N 398.459 3.245 50 40 GGGB COc1cc(C(=O)NNc2c(F)c(F)c(F)c(F)c2F)cc(OC)c1OC 3279958 VFSFTOQEPLPLHJ-UHFFFAOYSA-N 392.280 3.165 50 40 GGGB O=C(NNC(=O)c1ccccc1OCCOc1ccccc1)c1cccc(F)c1 3430697 OQRAEWIELYKFMJ-UHFFFAOYSA-N 394.402 3.358 50 40 GGGB O=C(O)c1cccc(COc2ccc(/C=N\NC(=O)c3ccncc3)cc2)c1 408844865 WXDQZXOMJIXKKX-QRVIBDJDSA-N 375.384 3.123 50 40 GGGB Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccccc3C#N)cc1)C(C#N)=C(N)O2 409127010 CPYURLFZAAOCKR-FQEVSTJZSA-N 383.411 3.387 50 40 GGGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C1/CCCc2ccccc21 36384551 SSXJFZNTIXHACN-GYHWCHFESA-N 376.504 3.056 50 40 GGGB N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)C[C@H]1c1ccc(F)cc1 2458409 UYACGFXWBOYMKJ-INIZCTEOSA-N 387.480 3.346 50 40 GGGB COc1ccccc1OCC(=O)N/N=C\c1cc(F)c(N2CCCC2)cc1C 106108830 JZKAQKCETYSMPJ-QRVIBDJDSA-N 385.439 3.272 50 40 GGGB N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)S(=O)(=O)c1ccc(Cl)cc1 12958132 CVWZSALHPLHKJU-ACAGNQJTSA-N 392.776 3.315 50 40 GGGB CC(C)CCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccs2)c2ccccc21 8560474 MAWQZJULGCHFTO-VLGSPTGOSA-N 392.484 3.335 50 40 GGGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C(=O)O)o2)o1 409040948 ITRQEZXUTLNCJV-DJKKODMXSA-N 383.316 3.218 50 40 GGGB COCCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(=O)OC)cc2C)c1C 408932613 YFAXADXYGVFBFO-XDHOZWIPSA-N 396.443 3.286 50 40 GGGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1O 98035279 IEKKMGRSMWFOAP-XKZIYDEJSA-N 391.383 3.497 50 40 GGGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])s1)CO2 17179874 LKZJDEQNMRAMJE-OMPOGXFXSA-N 389.433 3.244 50 40 GGGB COc1ccc(C(=O)NNC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1OC 32795425 OVPHDNVVXIRJLX-LLVKDONJSA-N 377.828 3.062 50 40 GGGB COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 59516237 AQONWGMEINDTFJ-OHBSIKEHSA-N 394.258 3.330 50 40 GGGB COc1ccccc1NC(=O)NNC(=O)CSc1nc2ccccc2s1 3342885 VSUNDXCLYFKWOX-UHFFFAOYSA-N 388.474 3.250 50 40 GGGB Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1cccnc1)C(C#N)=C(N)O2 2257901 UDVMPRRHTWPDEO-FQEVSTJZSA-N 384.439 3.013 50 40 GGGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc(F)ccc1F 12818251 JJHDYZVLRUDDEQ-UHFFFAOYSA-N 382.366 3.472 50 40 GGGB Cc1ccsc1/C=N/NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 20209218 XBIFKNABACDUEO-YBFXNURJSA-N 393.534 3.096 50 40 GGGB Cc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 409002070 SHPJPTDHQJHGGB-HYARGMPZSA-N 396.447 3.423 50 40 GGGB COC(=O)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 5511399 DBOQGTNIOSUXOW-LPYMAVHISA-N 391.383 3.082 50 40 GGGB CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc(O)c(OC)c1 1428054 MDFYDZBMLWFIGP-HNNXBMFYSA-N 386.429 3.166 50 40 GGGB Cc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)c(C)c1 20208103 VZEJVSBKSBAHRY-UHFFFAOYSA-N 379.526 3.286 50 40 GGGB C/C(=N/NC(=O)c1ccccc1I)c1cccc(N)c1 17146273 UCYXEDPLRLYSDY-ZDLGFXPLSA-N 379.201 3.027 50 40 GGGB Cc1ccc(SCC(=O)NNC(=O)CCc2nc3ccccc3s2)cc1 6510434 TZTMJAMTTJRBIM-UHFFFAOYSA-N 385.514 3.477 50 40 GGGB CCc1cc2cc(OC)ccc2nc1SCC(=O)NNC(=O)c1ccccc1 5985079 FKHYLTWLSCYIDK-UHFFFAOYSA-N 395.484 3.359 50 40 GGGB COc1cccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 832009 RPHLVPWJFOLSAS-JTQLQIEISA-N 383.231 3.231 50 40 GGGB CCOc1ccc(C(=O)N/N=C/c2c(C)n(CC(=O)OC)c3ccccc23)cc1 20765088 QHDIZQDQEYROOM-YDZHTSKRSA-N 393.443 3.285 50 40 GGGB Cn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1ccccc1 2320452 AATODMDSYHLCQN-DYTMQZIQSA-N 377.473 3.390 50 40 GGGB COc1cc(Br)c(O)c(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c1 408591906 WESHDJNWAYXMEC-KEBDBYFISA-N 391.265 3.473 50 40 GGGB Nc1nonc1C(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 408735827 XGQZPZJQJZMOIK-LSFURLLWSA-N 394.822 3.072 50 40 GGGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 409340706 AKOAMAPKLYJYBG-FOKLQQMPSA-N 381.363 3.346 50 40 GGGB CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2O)nc2ccccc21 1050987 VQGHYJOKWZMAGX-RGVLZGJSSA-N 384.461 3.013 50 40 GGGB Cc1ccccc1N1C(N)=C(C#N)[C@@]2(C(=O)Nc3ccccc32)C2=C1CCCC2=O 4944740 XYKSMHNZMVDVDS-XMMPIXPASA-N 396.450 3.406 50 40 GGGB Cc1c(Cl)cccc1NC(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Br 8474854 FZXKEKPUTZRFRZ-JAMHXJHLSA-N 384.657 3.158 50 40 GGGB COc1cc(OC)c(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br 4502015 VCPDXCAODJTYND-GHXNOFRVSA-N 379.254 3.432 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1ccc2c(c1)OCO2 1068178 VSPFYBONMBDSLE-INIZCTEOSA-N 376.347 3.163 50 40 GGGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(C)c2ccccc21 100943635 XUYXJFPBOCVJCU-HCNBXMNPSA-N 392.242 3.258 50 40 GGGB CCOC(=O)[C@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 1652300 KKPNLRXPWMWDBR-VHSXEESVSA-N 381.020 3.357 50 40 GGGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2OCC)[C@@H](C#N)C(O)=N1 875432 LZOWUCRAMRNJNQ-DYVFJYSZSA-N 385.445 3.310 50 40 GGGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/NC(=O)c1ccncc1 104063182 AXSGGCUGBNGXPN-LPYMAVHISA-N 379.291 3.438 50 40 GGGB CCN1C(=O)/C(=N/NC(=O)COc2cc(Cl)ccc2Cl)c2ccccc21 18194828 CWDOBPYTCZYAQN-OQKWZONESA-N 392.242 3.259 50 40 GGGB Cc1cc(C)cc(OCC(=O)N/N=C\c2cc(Cl)cc([N+](=O)[O-])c2O)c1 12859474 RXUYHPMPJAUSSJ-UWVJOHFNSA-N 377.784 3.100 50 40 GGGB C[C@@H](C(=O)N/N=C/c1cccc2ccccc12)N(c1ccccc1)S(C)(=O)=O 408925108 MFMAMWZQTPPXSO-PZBNQXIHSA-N 395.484 3.145 50 40 GGGB COc1cc(C(=O)N/N=C/c2cccc(F)c2)ccc1I 408746759 GROIRFVQRSSTLE-GIJQJNRQSA-N 398.175 3.203 50 40 GGGB CC(C)=NNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 408773928 KCEFMQRYYSIZQX-UHFFFAOYSA-N 393.896 3.356 50 40 GGGB CCOc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 33907658 SNWTVPKMNBDZRC-NLKUQUHMSA-N 379.460 3.151 50 40 GGGB COc1ccc(-n2cc(C(=O)NNc3cccc(C(F)(F)F)c3)nn2)cc1 1632189466 BQZQJQBZJIFLLC-UHFFFAOYSA-N 377.326 3.052 50 40 GGGB Cc1c(Cl)ccc2sc(NNC(=O)CS(=O)(=O)c3ccccc3)nc12 5271991 UAGKUBIXMYQHAE-UHFFFAOYSA-N 395.893 3.175 50 40 GGGB CCn1c(C)cc2c(c1=O)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 2223710 QQSQKVJDFONINS-OAHLLOKOSA-N 386.249 3.157 50 40 GGGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1O 4735293 XVWUGLGSFTYIGC-YBFXNURJSA-N 377.238 3.246 50 40 GGGB C#CCOc1ccc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 409096416 KASMOBHPRMMXAR-IBGZPJMESA-N 380.787 3.299 50 40 GGGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)o1 7964820 MZRBVPPBRSOQBD-LBPRGKRZSA-N 386.354 3.453 50 40 GGGB N#C/C(=C/c1cnc(N2CCOCC2)nc1)C(=O)c1c(Cl)cccc1Cl 98054992 OUFZXWFVRHRTKZ-JYRVWZFOSA-N 389.242 3.410 50 40 GGGB CO[C@@H](C(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1 831053 ZKJUFWMQYBKOGA-LEKRSAHOSA-N 391.221 3.016 50 40 GGGB Cc1ccc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4o3)CC2)c(C)c1 12741024 AWJZVTBQODOMPE-UHFFFAOYSA-N 392.459 3.122 50 40 GGGB CC(C)=NNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 19926253 LXZOOOMMCGPYLP-UHFFFAOYSA-N 379.869 3.047 50 40 GGGB CCOC(=O)[C@@](NC(=O)CCl)(Nc1ccc(C(C)C)cc1)C(F)(F)F 3103187 KNIUZVAPKIMCPI-HNNXBMFYSA-N 380.794 3.399 50 40 GGGB CCc1ccc(OCC(=O)N/N=C(\C)c2cc(OC)c(OC)c(OC)c2)cc1 4979183 HZVDQEKTRGVZTE-HYARGMPZSA-N 386.448 3.194 50 40 GGGB C/C(=N\NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc2c(c1)CCC(=O)N2 98054889 DPXKOSPRCJHWSY-DTVDJLOLSA-N 379.460 3.496 50 40 GGGB COc1cc(OC)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409233172 RMAFFZCQIUSOGV-JMIUGGIZSA-N 395.228 3.298 50 40 GGGB N#C/C(=C/c1cccn1-c1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2[nH]1 32099388 CEUBSGZWIVLHPX-OWBHPGMISA-N 389.440 3.065 50 40 GGGB O=C(CSc1nc2ccccc2s1)N/N=C\c1cc([N+](=O)[O-])ccc1O 16102251 YWIGBFIQRUMQMD-IUXPMGMMSA-N 388.430 3.153 50 40 GGGB COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)NCCCl)c1 4865373 DHGUNPVAVYLINM-UHFFFAOYSA-N 397.884 3.165 50 40 GGGB O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1C1CCCCC1 101136869 BUNAMEKZEQPHFL-KKOKHZNYSA-N 393.119 3.241 50 40 GGGB COc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc(OC)c1OC 59473463 FOLGUAHLYODREY-SRZZPIQSSA-N 388.489 3.404 50 40 GGGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 59678575 UOLAQYQHIQBCBB-QXPQOBGOSA-N 380.400 3.483 50 40 GGGB COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)c1 4502865 GUBKOCQWUNSDDE-INIZCTEOSA-N 384.461 3.032 50 40 GGGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCC#N 409375805 PKUAIHPXKLRTBD-WSDLNYQXSA-N 379.372 3.116 50 40 GGGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NC[C@H]1CCCO1 408815495 RLCUXTPIDBNLSG-SCZPIIQISA-N 391.265 3.216 50 40 GGGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(N2CCOCC2)o1 408996586 QEXICBNIBUXPJQ-HMHKGCENSA-N 393.896 3.401 50 40 GGGB COC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 33383749 BPZUTHZWNSTMRO-DHDCSXOGSA-N 377.400 3.496 50 40 GGGB O=C(N[C@@](Cl)(C(=O)O)[C@@H](Cl)c1ccccc1)c1ccc([N+](=O)[O-])cc1 32634090 YTECIHNLSXXYNS-XJKSGUPXSA-N 383.187 3.324 50 40 GGGB Cc1ccc(C)c(OCC(=O)N/N=C\c2cc(O)ccc2Br)c1 30774151 XRORVBYMVIXJNI-OCKHKDLRSA-N 377.238 3.301 50 40 GGGB COc1ccc(OCC(=O)N/N=C(/C)c2ccc(Br)s2)cc1 6753705 SMLJYYOAZGEFCZ-YVLHZVERSA-N 383.267 3.438 50 40 GGGB Cc1occc1C(=O)N/N=C/c1ccc(/C=N/NC(=O)c2ccoc2C)cc1 672599 YFRHGVKBDDJWJV-XHQRYOPUSA-N 378.388 3.017 50 40 GGGB Cc1cc(C)nc(NNC(=O)c2ccc(-n3nncc3-c3cccs3)cc2)n1 12568317 WASZQSKQCXVTFK-UHFFFAOYSA-N 391.460 3.160 50 40 GGGB CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 408796009 NZORDFZWTMTUTA-LFIBNONCSA-N 381.407 3.275 50 40 GGGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 409100148 QDIJMWBJOLKEFY-CAOOACKPSA-N 394.796 3.399 50 40 GGGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1F 5773804 WTQNBRAPSHAWNH-ZVHZXABRSA-N 391.402 3.494 50 40 GGGB C/C(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)=N\NC(=O)c1cnccn1 12362574 MRZOPDFPZVVXIE-PGGKNCGUSA-N 399.760 3.283 50 40 GGGB O=[N+]([O-])c1ccc(NC[C@@H](Br)CBr)c([N+](=O)[O-])c1 4707383 XZYZZNAEHFBAHK-LURJTMIESA-N 382.996 3.073 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)c(C)n1-c1cccc(Cl)c1 58912145 SPMZZSIMZFWYAT-FOKLQQMPSA-N 398.850 3.107 50 40 GGGB COc1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1OC 3083886 VEZADMTVODYMSX-CIAFOILYSA-N 389.839 3.226 50 40 GGGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1OCC 2294465 LSSDVWKSDOFHAQ-HYARGMPZSA-N 386.448 3.194 50 40 GGGB CCOC(=O)[C@@H](CC)/C(C)=N/NC(=O)CCC(=O)Nc1cc(C)ccc1C 4523955 ANZJJJWFBTYCDP-PZBNQXIHSA-N 375.469 3.104 50 40 GGGB O=C(NNC(=O)[C@@H]1CCOC1)c1cc(-c2ccccc2Cl)nc2ccccc12 66896870 JDYRRQUTGZTPJZ-CYBMUJFWSA-N 395.846 3.353 50 40 GGGB COc1cccc(-c2nc(C(=O)NNC(=O)c3ccc(C)cc3)cs2)c1OC 12894845 MUWURRSNQDOLGR-UHFFFAOYSA-N 397.456 3.211 50 40 GGGB COc1cc(OC)c(/C=N/NC(=O)Cc2ccccc2)cc1Br 6180464 XHVUQGPFSFNALZ-YBFXNURJSA-N 377.238 3.159 50 40 GGGB N#C/C(C(=O)CSc1nnnn1C1CC1)=C1/Nc2cc(Cl)ccc2S1 104582772 DPXJECOXSGVKHW-GXDHUFHOSA-N 390.881 3.276 50 40 GGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)o2)cc1 1243129 NVXKXKKJLDVIQT-BTVXTAIASA-N 392.411 3.307 50 40 GGGB CN(NC(=O)C[C@](O)(c1nc2ccccc2o1)C(F)(F)F)c1ccccc1 58390525 ZVIOOZRBHIMNEX-KRWDZBQOSA-N 379.338 3.135 50 40 GGGB COc1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1Br 409145047 HNYYITFJHDBKKJ-MRXNPFEDSA-N 388.265 3.188 50 40 GGGB C/C(=N\NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1cccnc1 7785915 KUNHJNIEWUJGHV-PCLIKHOPSA-N 382.427 3.483 50 40 GGGB Cc1cc(C)nc(NNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)n1 12950160 DTCRVSFUPQOCHN-UHFFFAOYSA-N 390.369 3.363 50 40 GGGB COC(=O)Oc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1OC 4502855 HWTVALFMEWEHEP-DEDYPNTBSA-N 388.445 3.473 50 40 GGGB CCOc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)c(OCC)c1 409366380 USTYEWMXHRVGCA-HMAPJEAMSA-N 386.448 3.194 50 40 GGGB NC(=O)Cn1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 33794676 GJUXVBNCXSZFOK-GZIVZEMBSA-N 389.242 3.197 50 40 GGGB Cc1ccccc1OCC(=O)N/N=C/c1cc2c(cc1Br)OCO2 59417704 FGSVLEMYTFVIPG-UFWORHAWSA-N 391.221 3.015 50 40 GGGB Cc1cccn2cc(COc3ccc(C(=O)NNC(=O)OC(C)(C)C)cc3)nc12 10889790 GXIRVEVLCIIGFQ-UHFFFAOYSA-N 396.447 3.391 50 40 GGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccccc2O)o1 5556122 UPOOPFWHRVJYCO-RGVLZGJSSA-N 381.344 3.333 50 40 GGGB COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)c1 12276162 PGIQRGOGJHNBDR-LAUBAEHRSA-N 396.443 3.477 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)c2c(C)nc3cc(C)ccn23)cc1OC 59516180 SVPWWGRDLANNTB-LPYMAVHISA-N 378.432 3.288 50 40 GGGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c21 2245674 QSSCPLQIEDVISQ-IBGZPJMESA-N 389.411 3.025 50 40 GGGB COc1ccc(CC(=O)NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 14200273 YKUBIKCVZMBICA-GFCCVEGCSA-N 378.881 3.219 50 40 GGGB C=C/C=N\NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 408736718 GDJUEWZMTIIUTF-QMFCMINHSA-N 390.443 3.293 50 40 GGGB C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1 59501683 BOTCZTRGVVUDJG-FSJBWODESA-N 391.349 3.359 50 40 GGGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1cc2ccccc2cc1O 3237323 SACINYQEVJZPBB-FYJGNVAPSA-N 381.457 3.207 50 40 GGGB C=CCc1cc(/C=N\NC(=O)COc2ccc(OC)cc2)cc(OCC)c1O 408818109 XXDGNEVTNPWEPK-XKZIYDEJSA-N 384.432 3.057 50 40 GGGB CCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(OC(F)(F)F)cc2)C1=O 9060685 AIADUTCJYIRGNE-GDNBJRDFSA-N 379.338 3.500 50 40 GGGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(F)cc1 408606816 QKXQEHSUNDHACY-INIZCTEOSA-N 385.468 3.079 50 40 GGGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1O 1497677 KBKOPYHRUZBXFA-UFWORHAWSA-N 382.645 3.370 50 40 GGGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 104589334 ICUYEPHKNOHFAO-QINSGFPZSA-N 377.425 3.445 50 40 GGGB Cc1ccc(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c(C)c1 20194655 QVINQVUAUDEPPE-AWQFTUOYSA-N 389.249 3.487 50 40 GGGB Cc1cccc(C(=O)N[C@@H](C(=O)N/N=C/c2c[nH]c3ccccc23)C(C)C)c1 23382578 QESKLXLAFOUKNZ-FINLKQIMSA-N 376.460 3.381 50 40 GGGB CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(Cl)c1O 96912429 BWFAJYVVIQOBIX-NHDPSOOVSA-N 392.839 3.154 50 40 GGGB COc1ccccc1OCCCOc1ccc(Cl)cc1/C=N/NC(N)=O 4575409 BZUSFYYGBVYKNX-CIAFOILYSA-N 377.828 3.199 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1ccccc1F 5887258 MJUUOGAVVOJIDJ-OAHLLOKOSA-N 377.335 3.342 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)cc2Br)cc1 658005 MRSQLNVLSSYVNN-VXLYETTFSA-N 393.237 3.239 50 40 GGGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1OC 643753 NMWKXTVRWVZUGE-LJQANCHMSA-N 388.427 3.416 50 40 GGGB CC1=CC(C)(C)N2C(=O)/C(=N/NC(=O)COc3ccccc3)c3cccc1c32 12406206 NMIIWRVUYMEZJW-LYBHJNIJSA-N 375.428 3.128 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1OC 59515245 DQYIWPJBWSAPSK-LPYMAVHISA-N 383.448 3.452 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc2c(cc1C)OCO2)c1ccccc1 408998130 AJIJJVJVTKXCBY-QQZPLFJDSA-N 397.431 3.051 50 40 GGGB Cn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nnc1-c1ccccc1 6537282 XEWLHYANYJKDJH-UHFFFAOYSA-N 388.456 3.416 50 40 GGGB Cc1ccc2c(c1)cc(C(=O)NNC(=O)c1ccc(Br)cc1)n2C 4749277 YKTJDKILZXKYPR-UHFFFAOYSA-N 386.249 3.324 50 40 GGGB O=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1cc2cc([N+](=O)[O-])ccc2o1 408905131 UCLASBZWZYAPEK-GXHLCREISA-N 387.735 3.487 50 40 GGGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(OC)cc2OC)cc1[N+](=O)[O-] 107672050 OCEKAJAYKVPSGB-UDWIEESQSA-N 387.392 3.165 50 40 GGGB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)c1ccncc1 2662379 PENRQAZKYXZDQN-LFVJCYFKSA-N 388.475 3.330 50 40 GGGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(C)nn(-c2ccccc2)c1Cl 808819 ZVSXTJKDDNGMDI-INIZCTEOSA-N 384.823 3.089 50 40 GGGB CC(C)c1nc(C#N)c(NNC(=O)c2cnn(Cc3ccccc3Cl)c2)o1 58022994 HKIAQLDMWHPOEF-UHFFFAOYSA-N 384.827 3.325 50 40 GGGB CC(C)N1CC=C2[C@H](C1)[C@H](c1ccccc1Cl)C(N)=C(C#N)C2(C#N)C#N 5633191 ZEGQZSZKEBETKS-KXBFYZLASA-N 377.879 3.474 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2ccc(I)cc2)cc1 408532281 QDEFZNWXILFBHZ-VXLYETTFSA-N 393.228 3.162 50 40 GGGB Cc1ccc(Cl)cc1NC(=O)[C@@H](Br)[C@H](Br)C(=O)O 1739547 MAUKWNXOENKBJU-IUCAKERBSA-N 399.466 3.199 50 40 GGGB COc1ccc(CC(=O)N/N=C(/C)c2cccc(NC(=O)C(F)(F)F)c2)cc1 5381072 BKALZQCUCHBXMJ-MSXFZWOLSA-N 393.365 3.279 50 40 GGGB O=C(COc1ccccc1F)NNC(=O)CSc1ccc2ccccc2c1 6558616 ISVGKQXCPIFYFU-UHFFFAOYSA-N 384.432 3.297 50 40 GGGB O=C(COc1ccc(Cl)cc1)NNC(=O)COc1cccc2ccccc12 4673262 IRSJLXCCIZKJIN-UHFFFAOYSA-N 384.819 3.098 50 40 GGGB Cc1cc(Br)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1O 4600508 GENUUJJQIBQKBZ-CAOOACKPSA-N 378.182 3.135 50 40 GGGB CCOC(=O)c1s/c(=N/C(=O)/C(C#N)=C\c2ccc(Cl)cc2)[nH]c1C 9348883 KLBAFVARMBROHD-WQLSENKSSA-N 375.837 3.249 50 40 GGGB CC(C)c1ccc(/C=N/NC(=O)Cn2nnnc2-c2ccccc2Cl)cc1 408719332 LHUXZBXWOFDWLZ-SRZZPIQSSA-N 382.855 3.267 50 40 GGGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1 4506755 ZUNOHDAMQYAYDY-OQFOIZHKSA-N 388.059 3.349 50 40 GGGB CCCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2F)c2ccccc21 102976802 FUVORCSJJMGAQY-GFMRDNFCSA-N 383.423 3.262 50 40 GGGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CSc1ccccn1 1306747 CJRHECRZOKDGLT-SRZZPIQSSA-N 385.880 3.472 50 40 GGGB CC(C)N1CC=C2[C@@H](C1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)C2(C#N)C#N 20026574 UTGGDQYCWZSUMF-MJGOQNOKSA-N 377.879 3.474 50 40 GGGB N#CC(C#N)=Cc1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 408989591 IQFFNFQPDWHWQY-UHFFFAOYSA-N 375.373 3.152 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1O 408978234 LUMLJWKMRCYNLT-LFYBBSHMSA-N 376.210 3.224 50 40 GGGB COc1cc2c(cc1/C=N/NC(=O)COc1cccc3ccccc13)OCO2 409067673 QPSYUNNZRPDDPQ-SSDVNMTOSA-N 378.384 3.106 50 40 GGGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(C)CSC2=C1C#N 20238319 ZUYQCUKTYZEMIJ-NSHDSACASA-N 394.294 3.102 50 40 GGGB aggregator CCOc1ccc(C(=O)NNC(=O)CSc2cc(C)ccc2C)cc1OC 8314457 WAJSTURJUNNIED-UHFFFAOYSA-N 388.489 3.264 50 40 GGGB Cc1ccccc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccccc1 20060537 PJDHBANBUAFAKI-UHFFFAOYSA-N 385.489 3.237 50 40 GGGB O=C(COc1cccc2ccccc12)N/N=C\c1ccc(N2CCOCC2)cc1 409095522 BJWFGGGORGAPCX-JLPGSUDCSA-N 389.455 3.206 50 40 GGGB COc1ccc(Br)c(/C=N/NC(=O)COc2ccc(C)cc2)c1 3169178 BQACPTVKWBRCDH-VXLYETTFSA-N 377.238 3.295 50 40 GGGB CCn1c(C)nc2cc(C(=O)NNC(=S)Nc3ccccc3OC)ccc21 13686138 XTWBIXCYUAYOJO-UHFFFAOYSA-N 383.477 3.005 50 40 GGGB CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1ccc(Cl)cc1 15082496 ZCWXYRHCGLAVAR-NSHDSACASA-N 399.863 3.288 50 40 GGGB O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(C(=O)N/N=C/[C@H]2C[C@@H]3C=C[C@@H]2C3)o1 104106860 AFAUUXNDJLKADH-CJOAHEDPSA-N 392.459 3.135 50 40 GGGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)o1 2351638 LLSQDXCPSZNKFI-DJKKODMXSA-N 389.868 3.279 50 40 GGGB COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1OC(C)=O 12859199 MWPWKBAALHROGQ-SSDVNMTOSA-N 384.432 3.075 50 40 GGGB COc1cccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)c1 409242977 QCYIOHQREDNJNV-OJNRTJSBSA-N 396.399 3.101 50 40 GGGB CC(=O)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1 409020248 NCCVZWFZLFEYDX-DJKKODMXSA-N 391.221 3.196 50 40 GGGB COC(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1OC 408863815 RDYOJKNQAATUCH-DZUMZMOTSA-N 388.445 3.471 50 40 GGGB Cc1ccc(NCC(=O)NNC(=O)CCc2ncc(-c3ccccc3)o2)c(C)c1 48235923 XNEIHDBMUBCXMX-UHFFFAOYSA-N 392.459 3.151 50 40 GGGB Cc1cccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 4179121 TVAQMRSJURMUPF-FYJGNVAPSA-N 382.420 3.033 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 1437661 UXVRTPDZWWQZNM-LPYMAVHISA-N 378.384 3.336 50 40 GGGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)c1 8566714 WFXDEKDEXSPYSP-OAHLLOKOSA-N 380.429 3.374 50 40 GGGB CN(C)c1cccc(C(=O)NNC(=O)c2ccccc2COc2ccccc2)c1 12550848 ZRKPDIZCDMWXKS-UHFFFAOYSA-N 389.455 3.406 50 40 GGGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccccc3)C2=O)cc1C 2238973 HQZFOKGBGALBJO-QUWSGOTNSA-N 377.469 3.215 50 40 GGGB COC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O 4205678 DPTLDIPPNQGRTP-LFIBNONCSA-N 389.411 3.492 50 40 GGGB COc1ccc(/C=C(\C#N)C(N)=O)c(OCc2ccccc2Br)c1 408892074 ARDRPZMFWPWIBA-RIYZIHGNSA-N 387.233 3.429 50 40 GGGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(OCC#N)c(OC)c1 408819122 YHMBERJREPUFKE-DELQEKLWSA-N 392.253 3.182 50 40 GGGB COc1ccc(CCNC[C@H](O)COc2ccc(/C(C)=C/C#N)cc2)cc1OC 33953217 BMAJJBHGPUHERB-YZILGEIOSA-N 396.487 3.203 50 40 GGGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c1 6293861 KZQYZXMUADQOLZ-WSDLNYQXSA-N 391.383 3.367 50 40 GGGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccco1 5580759 YDCMLPNFUROWRE-VXLYETTFSA-N 377.238 3.450 50 40 GGGB CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c2ccccc21 2332611 URXSNVOBLAJXOA-OYLFLEFRSA-N 397.434 3.026 50 40 GGGB CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(C)cc2)c2ccccc21 5267179 KNUILGRBIHNDIV-VXPUYCOJSA-N 386.455 3.336 50 40 GGGB COc1cc(Cl)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC 408590882 RABIRXSYWPFAHR-DJKKODMXSA-N 393.783 3.038 50 40 GGGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 408769347 RPXXLEJDYJKGEP-JJIBRWJFSA-N 394.519 3.129 50 40 GGGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)[C@@H](O)c3ccccc3)c2C)c(C#N)c1C 409361146 QIXMNNGMFYZBGF-VWXZLZIGSA-N 390.443 3.359 50 40 GGGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1cccc(N(C)C)c1 17250793 ZMFCGPDHFJHHRU-UHFFFAOYSA-N 389.883 3.335 50 40 GGGB Cc1ccccc1CSCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C 408994829 JSVDEPTUNXDPGE-RGVLZGJSSA-N 386.477 3.353 50 40 GGGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCC(N)=O 33786655 OZRATROKELJMQD-DHDCSXOGSA-N 376.416 3.198 50 40 GGGB COc1cccc(CC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 33653804 KPMLHNIFKCQQMP-UHFFFAOYSA-N 390.439 3.131 50 40 GGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 106109901 BJYARWSWDQDCCF-UDWIEESQSA-N 394.343 3.456 50 40 GGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 59433325 OKDWTHCTPZEMQT-CIAFOILYSA-N 393.355 3.246 50 40 GGGB Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)CCc1ccccc1 2132114 VQDNFFRFWWBUML-UHFFFAOYSA-N 387.867 3.147 50 40 GGGB Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1 2135140 UCCKVNCFIWYIGR-UHFFFAOYSA-N 397.258 3.215 50 40 GGGB CC(C)c1ccccc1OCC(=O)NNC(=O)COc1ccccc1Cl 6307701 UJQHPUJXICYHEG-UHFFFAOYSA-N 376.840 3.069 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 4682500 XGINJHWUSJNDDR-KPZWWZAWSA-N 377.356 3.396 50 40 GGGB COc1ccccc1OCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 5671268 MJDMTWUBIKPHPG-UHFFFAOYSA-N 390.439 3.054 50 40 GGGB COc1cc2nc(/C(C#N)=C\c3ccc(N(C)C)cc3)nc(O)c2cc1OC 33775240 QBXRBVPVIDQJKV-ZROIWOOFSA-N 376.416 3.483 50 40 GGGB C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 5638648 ZFDPKYVNGSGLOI-WOJGMQOQSA-N 376.210 3.440 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1 10476096 ZGRJOYFLHWYFJK-LICLKQGHSA-N 380.185 3.064 50 40 GGGB N#CC(C(=O)COC(=O)c1ccc(Br)o1)=C1Nc2ccccc2N1 3271580 KBVVRRKYMALMHB-UHFFFAOYSA-N 388.177 3.041 50 40 GGGB CC(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1 409001841 WYVHHEYMTBWHDM-VCHYOVAHSA-N 394.212 3.340 50 40 GGGB COC(=O)c1csc(-n2nc(-c3ccc(C)cc3)cc2NC(=O)CCl)n1 5243790 ZKWMOCOBERJZCI-UHFFFAOYSA-N 390.852 3.268 50 40 GGGB CCOC(=O)/C(C#N)=C1/S[C@H](C)C(=O)N1c1ccc(Br)cc1 5556100 RYZRWXIPTKSDRT-MPJCXMIRSA-N 381.251 3.216 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 4179686 JDCUGUZLLVXNCG-HYARGMPZSA-N 396.447 3.423 50 40 GGGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OC(C)=O 1100706 PKCLVUCDUVUISN-UFFVCSGVSA-N 390.823 3.111 50 40 GGGB COc1ccccc1NC(=O)C1=C(C)N=C2C(C#N)=CNN2[C@@H]1c1cccs1 8992002 NRGWVZNPUPVCPD-GOSISDBHSA-N 391.456 3.350 50 40 GGGB COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCOc1ccc(C)cc1 15939044 YMELKQNPHGFOEJ-SRZZPIQSSA-N 377.828 3.117 50 40 GGGB CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)NN(c1ccccc1)c1ccccc1 408997310 DYRVSPNQEZKKOH-UXHICEINSA-N 397.475 3.084 50 40 GGGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cccc(Cl)c1 1959550 VHYLLYCMECSQSC-UHFFFAOYSA-N 378.613 3.189 50 40 GGGB CC(=O)OCc1c(C)cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C 2771722 LEZUMWJVALLKFT-HXUWFJFHSA-N 380.444 3.490 50 40 GGGB CCn1c(NNC(=O)c2ccc(N(C)CC(C)C)cc2)nc2ccccc2c1=O 58067354 KSERFEJULWICMA-UHFFFAOYSA-N 393.491 3.266 50 40 GGGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 59436907 GPKVRCFDNLHNLE-CIAFOILYSA-N 399.403 3.079 50 40 GGGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(Br)cc1 59515538 LHARJGPCZKBNRQ-DJKKODMXSA-N 394.656 3.500 50 40 GGGB O=C(NN=C1CCCCCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 6674137 CMBKGZLOGZOBJP-UHFFFAOYSA-N 377.510 3.301 50 40 GGGB CCc1ccc(OCC(=O)NNC(=O)Cc2csc(-c3ccccc3)n2)cc1 7014922 MBKXEUJCOISNCU-UHFFFAOYSA-N 395.484 3.141 50 40 GGGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc([N+](=O)[O-])ccc1O 409042986 OYGJLVFZDIUYBB-VXLYETTFSA-N 396.315 3.233 50 40 GGGB COc1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 36144807 HHUULMHLDZPGRX-ZDLGFXPLSA-N 392.209 3.059 50 40 GGGB COC(=O)[C@H]1C(=O)NC(SCc2ccccc2F)=C(C#N)[C@H]1c1ccccc1 409129153 QYORFHZAASAVMT-QZTJIDSGSA-N 396.443 3.497 50 40 GGGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)CCC1CCCCC1)[C@H]2C(=O)O 5830940 LHKHEXGCGNWVRO-SFUIVIKGSA-N 376.497 3.188 50 40 GGGB CCc1ccc(OCC(=O)NNC(=O)CCCc2c[nH]c3ccccc23)cc1 8075449 VVCAEKKTCIWBQP-UHFFFAOYSA-N 379.460 3.279 50 40 GGGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1 2662444 VZJGTNUQACMTRT-UHFFFAOYSA-N 379.460 3.369 50 40 GGGB O=C(OC(CCl)CCl)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCc1ccccc1 101657636 VVGKSGDVIYYAIP-ONIAQPFYSA-N 396.314 3.173 50 40 GGGB CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Cl)cc1 1243380 BGBULOAXXSLVCF-VXLYETTFSA-N 389.868 3.454 50 40 GGGB CCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NC)N(c3ccccc3)C2=O)cc1 2231257 JQCSCSXQNOAYBI-SBOLGIJOSA-N 391.496 3.421 50 40 GGGB Cc1cccc(C(=O)NNC(=O)c2c(-c3ccccc3Cl)noc2C)c1O 4670528 ADAXUYSMOAZWKV-UHFFFAOYSA-N 385.807 3.392 50 40 GGGB O=C(NNC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2)c1ccco1 25045282 GHSXGWHOUDXLNQ-UHFFFAOYSA-N 382.395 3.083 50 40 GGGB COc1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccc(C#N)cc2)o1 409017848 QUTABIXWPWUTPJ-QRVIBDJDSA-N 375.384 3.356 50 40 GGGB CCn1cc(Br)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n1 253399786 JYDUJCDGBIMCLO-ZDUSSCGKSA-N 391.269 3.116 50 40 GGGB N#C/C(=C\c1ccc(OCCOc2ccccc2)cc1)C(=O)NC[C@H]1CCCO1 5006454 IDSICIBCGLGJMZ-JIKIWWBOSA-N 392.455 3.347 50 40 GGGB COc1ccc(OC)c([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccc(F)cc2)c1 818311 AIJGRPIALXALJQ-QGZVFWFLSA-N 385.420 3.143 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1 408799577 ZNHAKBWADOAQFA-SFQUDFHCSA-N 393.443 3.144 50 40 GGGB COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 5007671 CMTYDFMGRUIABM-UKTHLTGXSA-N 388.807 3.358 50 40 GGGB O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 4600243 LKFNSEGSEHAIKK-DARPEHSRSA-N 399.406 3.096 50 40 GGGB CSc1ccc(/C=N\NC(=O)[C@@H](NC(=O)Cc2cccs2)C(C)C)cc1 4658888 VDLOQANVIVXJDD-HRVJUDJTSA-N 389.546 3.304 50 40 GGGB CCn1ncc(Br)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253407353 VZUDWLDFWLKAOQ-ZDUSSCGKSA-N 391.269 3.116 50 40 GGGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(OC)c1 14134343 XXNRZAIKQPJKEL-UDWIEESQSA-N 387.233 3.234 50 40 GGGB COc1ccc(/C=N/NC(=O)CNc2cccc(C)c2)cc1Br 1433539 NZNXMEQPBGZWRC-KEBDBYFISA-N 376.254 3.328 50 40 GGGB CCc1cc2ccccc2nc1SCC(=O)NNC(=O)c1ccc(OC)cc1 4849232 FFXCKHDEFIGDNI-UHFFFAOYSA-N 395.484 3.359 50 40 GGGB O=C(NN[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O)c1cccc(Cl)c1 84605890 ZKSPRNGYEKLCGO-SFHVURJKSA-N 393.830 3.060 50 40 GGGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1 409247058 GCCDHIQVKJLBFA-VBKFSLOCSA-N 381.407 3.217 50 40 GGGB Cc1cccc(OCC(=O)N/N=C\c2cc(O)ccc2Br)c1C 30843152 UYCOTVKQVCVWRD-OCKHKDLRSA-N 377.238 3.301 50 40 GGGB O=C(c1ccccc1)N1CC(Cl)CN(C(=O)c2ccccc2)CC(Cl)C1 1701337 LXJNFMZFQBGQCL-UHFFFAOYSA-N 391.298 3.500 50 40 GGGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 58911465 OHELBJJTDWQBBP-LSHDLFTRSA-N 393.274 3.153 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 107443954 ZCRCCIJSOQHTFU-LVMCVSQDSA-N 382.460 3.086 50 40 GGGB Cn1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 12554330 LVIPREDYQPATRZ-UHFFFAOYSA-N 398.271 3.108 50 40 GGGB COc1ccc(CC(=O)N/N=C\c2cc(OC)c(N3CCCC3)cc2OC)cc1 409091953 WFNDGOAFVSAHTO-HAHDFKILSA-N 397.475 3.005 50 40 GGGB C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(F)cc1N1CCCC1 5859668 CYNJGALVPIHAFG-FSJBWODESA-N 397.376 3.182 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1O[C@@H](C)C(=O)O 409014881 QDXAVIBWPRWTBH-FBKCMUNRSA-N 380.400 3.401 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(C)c(OC)c1)c1ccccc1 408979517 MOEPKZBLZODVNV-SDLXJUDFSA-N 383.448 3.331 50 40 GGGB COc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc(OC)c1O 1054173 AJPJRIVPOCPQEL-FSJBWODESA-N 379.416 3.125 50 40 GGGB COc1ccc(OCC(=O)N/N=C/C=C/c2ccco2)c(Br)c1 3081086 CONOVGAGZHLAOY-ZBXLFGCISA-N 379.210 3.245 50 40 GGGB CCOc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1OC 4513577 DYXYOZJMZHLPTL-GOSISDBHSA-N 381.457 3.394 50 40 GGGB C/C(CC(=O)Nc1ccccc1C#N)=N\NC(=O)c1ccc(Br)cc1 16137032 IHGWFTLRXDMBIO-WSDLNYQXSA-N 399.248 3.455 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)n1 8336652 KFBOTUPCZNKWKD-NGYBGAFCSA-N 385.276 3.348 50 40 GGGB CCOC(=O)C1=C(N)OC(c2cccc(OC)c2)=C(C#N)[C@@H]1c1ccccc1 1073571 FPXKTJVXRVHSCQ-SFHVURJKSA-N 376.412 3.477 50 40 GGGB CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)c2ccccc21 1423070 LEDBAIHPHHUSCR-XMMPIXPASA-N 396.450 3.122 50 40 GGGB COc1ccc(C(=O)N/N=C(\C)CC(=O)N[C@@H](C)c2ccccc2)cc1OC 4904481 LLSHWRHOKPNFMN-FVQJWRHTSA-N 383.448 3.077 50 40 GGGB O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc2c(c1)OCO2 10735543 AWYXKJNWEHEQBQ-UHFFFAOYSA-N 384.388 3.358 50 40 GGGB COCCNC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408800649 ODRYBHMUOBEVOR-DHZHZOJOSA-N 375.768 3.178 50 40 GGGB CCc1ccccc1OCC(=O)NNC(=O)COc1ccc2ccccc2c1 3408721 AXLDRZZTGXWXHG-UHFFFAOYSA-N 378.428 3.007 50 40 GGGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(Cl)c3)CC2)cc1 409006144 MPRHHVMJYFSASC-OEAKJJBVSA-N 399.878 3.351 50 40 GGGB CCn1c(C)cc(/C=N/NC(=O)c2cccc(I)c2)c1C 409117139 NGMIXSZIKDSQJM-VCHYOVAHSA-N 395.244 3.493 50 40 GGGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408744981 OJMYOJQLIXBSIV-BOPFTXTBSA-N 394.427 3.491 50 40 GGGB CCOc1cc(C(=O)NN)cc(Br)c1OCc1ccccc1F 216837192 YPWDRXQXBSKOSZ-UHFFFAOYSA-N 383.217 3.169 50 40 GGGB ClCCN(CCCl)c1ccc(/C=N/Nc2ncnc3[nH]cnc23)cc1 4582060 YFRKSLCNXXIEFE-NUGSKGIGSA-N 378.267 3.083 50 40 GGGB O=C(CCCC[C@H]1CCSS1)NCCN1Cc2ccccc2OCC1=O 575609977 ADLFLHACLMGUBS-INIZCTEOSA-N 394.562 3.238 50 40 GGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(C)cc(C)c(COC(C)=O)c1C 1106669 IMJSKFCTALZXEY-HXUWFJFHSA-N 398.459 3.320 50 40 GGGB C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N\NC(=O)c1ccc(O)cc1O 101158669 TXGDGFREKOOUJX-AUEPDCJTSA-N 395.337 3.251 50 40 GGGB COc1ccccc1C(=O)NNc1ncnc2c1cnn2-c1ccc(C)c(C)c1 26894927 BLCXAIQIQIKCPT-UHFFFAOYSA-N 388.431 3.198 50 40 GGGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OC 409363657 VFVNXBIHSMDPFF-JAIQZWGSSA-N 391.265 3.468 50 40 GGGB Cc1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)cc1 4060806 AEJNFUOWCJSFRG-UHFFFAOYSA-N 385.427 3.046 50 40 GGGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@@H]2C1 19597222 CMICIOIYNYWQMJ-NVXWUHKLSA-N 383.377 3.061 50 40 GGGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(I)o1 408719935 TYEWGLHQFMYRBX-LZYBPNLTSA-N 388.592 3.230 50 40 GGGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1Br 408692784 VHDRPHBJPFUVBD-UFWORHAWSA-N 395.188 3.059 50 40 GGGB O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccccc1 100934320 CTMOORJHJLZVLO-USZNOCQGSA-N 387.071 3.113 50 40 GGGB O=C(CSc1ncc(C(F)(F)F)cc1Cl)NNC(=O)c1cccs1 2636493 LTUFTBDMPYRSBG-UHFFFAOYSA-N 395.815 3.369 50 40 GGGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 2756248 OZGCDBVTOCCFRY-UFWORHAWSA-N 398.202 3.439 50 40 GGGB O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1cc2c(s1)CCCCC2 7404820 CAWPWAROCVLRJC-UHFFFAOYSA-N 384.910 3.294 50 40 GGGB COc1cc(N2N=C(C)/C(=C/NNC(=O)c3ccccc3C)C2=O)ccc1Cl 408536057 VMOIHISYOZCEMJ-WJDWOHSUSA-N 398.850 3.198 50 40 GGGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)NNC(=O)c1ccccc1 408997604 NLNFNKDPBCSFRK-FOCLMDBBSA-N 385.423 3.413 50 40 GGGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408951422 JEBOIKXFFZTALL-KGENOOAVSA-N 377.404 3.215 50 40 GGGB N#C/C(=C\c1ccccc1)C(=O)Oc1ccc(C(=S)N2CCOCC2)cc1 408754026 SOVYMQRZHYURQQ-NBVRZTHBSA-N 378.453 3.207 50 40 GGGB CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 832774 AURYUHWOUYTUNF-LFIBNONCSA-N 380.400 3.183 50 40 GGGB Cn1c(/C(C#N)=C(\O)CN2CCN(Cc3ccccc3)CC2)nc2ccccc21 100271950 SFRYIUXTTFRENX-QOCHGBHMSA-N 387.487 3.184 50 40 GGGB CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6892424 PGVLJUMCTXRTOL-KEBDBYFISA-N 380.231 3.481 50 40 GGGB CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)/C1=N/NC(=O)c1ccccc1O 100590556 YDHYTCMHEYPVIL-GFMRDNFCSA-N 388.427 3.129 50 40 GGGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCC(C)C)c2C)cc1 58913906 GRCIKJAPEUVMAH-OYKKKHCWSA-N 398.507 3.105 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc([N+](=O)[O-])c1O 409241078 WYQXAHVYRVDVLR-LWLPBDFMSA-N 381.388 3.483 50 40 GGGB C=CCN1C(=O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C(O)=NC1=S 2391962 WZZREUNMGLCCJW-NTCAYCPXSA-N 389.908 3.331 50 40 GGGB C#CCn1c(C)c(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21 409366872 ZTRHIHLZZYELFI-BUVRLJJBSA-N 387.439 3.047 50 40 GGGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 4409116 RIJNLEXLWTWZGJ-KEBDBYFISA-N 380.231 3.481 50 40 GGGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c1C 408773171 TWORCHRDHPHZDJ-SXGWCWSVSA-N 382.420 3.443 50 40 GGGB CC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 409009690 HNCNQPIFQMSBDX-DJKKODMXSA-N 391.221 3.196 50 40 GGGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCOCC2)o1 408990589 LCQHFEZAJCIFRO-YBFXNURJSA-N 379.869 3.012 50 40 GGGB CCC(CC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 4363349 YXRAKQDBWIDTQK-UHFFFAOYSA-N 387.505 3.170 50 40 GGGB COc1ccc(-c2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 409269665 LHSDMNYBDAWGTD-MRUVXERFSA-N 395.371 3.047 50 40 GGGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1 938049 MPDNFTIAGQLNDA-YBFXNURJSA-N 384.486 3.456 50 40 GGGB CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1ccc(Cl)cc1 15082498 ZCWXYRHCGLAVAR-LLVKDONJSA-N 399.863 3.288 50 40 GGGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 6955078 DQZCXAXPLAIFBX-SRZZPIQSSA-N 390.823 3.054 50 40 GGGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 59418921 HRDRMWYAQYOICH-RGVLZGJSSA-N 379.328 3.317 50 40 GGGB Cc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCC[C@H]3C)c3ccccc32)cc1 59488407 PLQCDTXPQRGGKE-PJXFJRINSA-N 390.487 3.308 50 40 GGGB CCN(NC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C)c1ccc(C)cc1 24656006 XJEIHQOUJVQHJB-UHFFFAOYSA-N 392.507 3.305 50 40 GGGB O=C(NNC(=O)c1ccccc1F)c1ccc(CN2CCc3ccccc32)cc1 48374500 FTGWCIXBNXTIQQ-UHFFFAOYSA-N 389.430 3.463 50 40 GGGB CCOC(=O)c1c(NC(C)=O)sc2c1CCC(C=O)=C2N1CCCCC1 13941952 MIBNFEFBDOHHSK-UHFFFAOYSA-N 376.478 3.225 50 40 GGGB COC(=O)C[C@H](NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)c1ccccc1 96993363 YMGOKVMAWDPTFI-LVSKKATPSA-N 377.444 3.080 50 40 GGGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1 35477584 ZCYUWTZANKMTLX-XKZIYDEJSA-N 391.383 3.497 50 40 GGGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1ccccc1 44395848 YBWZRLGHGUENIG-CIAFOILYSA-N 386.249 3.023 50 40 GGGB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1O 6049565 FLKIEFSOYTVKOK-QQZPLFJDSA-N 387.867 3.340 50 40 GGGB COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)c1O 5721080 KEMHSUKFAUJJHI-CIAFOILYSA-N 395.440 3.479 50 40 GGGB O=C(N/N=C(/c1ccccc1)[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 5378367 FWBHGZGXNXQODB-VZFXBBDVSA-N 375.384 3.463 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)CSc2cc(C)nc(SC)n2)cc1 4566879 OFNBEVVFCPJVQC-UDWIEESQSA-N 376.507 3.148 50 40 GGGB Cc1ccc(OCc2ccc(C(=O)NNC(=O)c3cccc(N(C)C)c3)o2)cc1 12742335 YHFRIODMFRFSEX-UHFFFAOYSA-N 393.443 3.308 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OC)c(OC)c1)c1ccccc1 408979248 LSLUTMOUENFYHA-FEMWLQECSA-N 399.447 3.031 50 40 GGGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NN=C1CCCC1 6850008 TZIZXWCHKJIPMC-UHFFFAOYSA-N 385.489 3.313 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 408978765 JXVFOHLVHNLLNH-VYVDHXHBSA-N 398.419 3.231 50 40 GGGB N#C/C(=C\c1ccc(Br)o1)C(=O)N1CCN(c2ccccc2)CC1 5899764 BYUBXSZAYUHBSR-WYMLVPIESA-N 386.249 3.298 50 40 GGGB CN1/C(=C(/C#N)C(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)Nc2ccccc21 11667632 HWYCOFCYWBTGRO-UHFFFAOYSA-O 395.442 3.337 50 40 GGGB N#C/C(C(=O)NCc1ccco1)=C1/N=C(NC(=O)c2ccccc2)c2ccccc21 2202655 DDJRERZBZWLVHG-VXPUYCOJSA-N 396.406 3.021 50 40 GGGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(N)=O 408860384 ZQFBFPXEWDCLKE-CHHVJCJISA-N 382.217 3.292 50 40 GGGB N#CSc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 5523840 FJIDXCRGPITACR-UHFFFAOYSA-N 384.417 3.257 50 40 GGGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)COC)ccc21 4812546 XEJDTJNCVLIYLE-OEAKJJBVSA-N 380.448 3.282 50 40 GGGB CN1C(=O)/C(=N\NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21 15219507 SWHXUXSLPVWLFM-QXUWJFDOSA-N 395.462 3.490 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(C)c1 829887 PPAANPKPTBACLK-VXLYETTFSA-N 377.238 3.295 50 40 GGGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1O 105178719 CSTFGGJEJBVLQF-RFFMAUGYSA-N 381.270 3.440 50 40 GGGB CCc1ccc(C(=O)NNC(=O)CSc2ccc(C(F)(F)F)cn2)cc1 7786119 KLCZFDSDHBOEMO-UHFFFAOYSA-N 383.395 3.216 50 40 GGGB O=C(COc1cccc2cccnc12)N/N=C\c1cc([N+](=O)[O-])ccc1Cl 409021860 CJNCACOQVBQBGV-FBHDLOMBSA-N 384.779 3.326 50 40 GGGB O=C(CCc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1Br 408591120 RMDPQIJKOVKGGF-WOJGMQOQSA-N 376.210 3.440 50 40 GGGB COc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 8116971 QBECKRPHWCRWMY-UHFFFAOYSA-N 389.411 3.022 50 40 GGGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1cccc(Cl)c1 100522751 VMAJOPYNUIRZKG-WSDLNYQXSA-N 387.823 3.246 50 40 GGGB CCOc1ccc(N([C@H](C)C(=O)NN=C2CCCCCC2)S(C)(=O)=O)cc1 408921525 IKFGZVQZTAENPY-OAHLLOKOSA-N 395.525 3.066 50 40 GGGB CC1=C(C(=O)OCCBr)[C@H](c2cccc3ccccc23)NC(=O)N1 4492035 FPFZIRJBCHQLBL-INIZCTEOSA-N 389.249 3.406 50 40 GGGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(SC(F)(F)F)cc1 7751901 YTEBAXMHADKDCA-UHFFFAOYSA-N 385.323 3.282 50 40 GGGB C[C@H]1C/C(=N\NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC(C)(C)C1 33042657 YELXMNBKCVOCOD-OSGFXRFRSA-N 391.537 3.403 50 40 GGGB Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccco2)cc1 409038393 OUAYHOKIMWHKEL-OUKQBFOZSA-N 390.395 3.282 50 40 GGGB CC1(C)C(C#N)=C(S[C@@H](C(=O)N2CCCC2)c2ccccc2)NC(=O)[C@@H]1C#N 5333826 DRFUVVDGXDSFFQ-DOTOQJQBSA-N 394.500 3.114 50 40 GGGB CNC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 33526326 WJYTZMAKQLDFTE-JYRVWZFOSA-N 387.798 3.150 50 40 GGGB CC(C)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 44554249 HEDIEJLTTYBKQR-UHFFFAOYSA-N 393.896 3.043 50 40 GGGB O=C(N/N=C/c1ccccc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 6839436 KSSYGVPAGVKRTL-BUVRLJJBSA-N 382.423 3.209 50 40 GGGB C/C=C/C=N/NC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 408982432 XVYOGHRKFHXCIL-URCZQINUSA-N 385.489 3.083 50 40 GGGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 409002407 UMXWEEPWGXOENF-SFQUDFHCSA-N 392.415 3.286 50 40 GGGB COC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc(C)cc2C)c2ccccc21 216049957 CHYJPUIFFXANLB-ZMOGYAJESA-N 391.471 3.432 50 40 GGGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc(OC)c1OC 40753818 BESZSCNYYFOWEE-GOSISDBHSA-N 377.400 3.412 50 40 GGGB O=C(NN[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O)c1cccc(Cl)c1 2656264 ZKSPRNGYEKLCGO-GOSISDBHSA-N 393.830 3.060 50 40 GGGB CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OC 1247874 DUWLQVNIQBTZLT-RGVLZGJSSA-N 385.445 3.478 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(C)cc1 35110152 ZTKJPVFUTMAASQ-QUWSGOTNSA-N 377.469 3.167 50 40 GGGB CC(=O)Nc1ccc(CC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 10631852 PDXWXFZKSZYFLF-UHFFFAOYSA-N 397.475 3.074 50 40 GGGB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2nccnc12 8690168 GGEWGZBIMBHUCW-CEYZDJRHSA-N 385.468 3.019 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c(C)n1-c1ccc(F)cc1 408973163 ZJURNRAOPQIZFX-YDZHTSKRSA-N 384.455 3.132 50 40 GGGB COc1cc(Br)cc(/C=N/NC(=O)Cc2cccs2)c1OC 8109832 XDEVDGQFTZTDSK-RQZCQDPDSA-N 383.267 3.221 50 40 GGGB C/C(=N/NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 13618899 YNNMBENINUOARN-ODLFYWEKSA-N 394.347 3.047 50 40 GGGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1cccc2c1OCCO2 58915627 ZAMUXGWYTQABMG-KEBDBYFISA-N 376.865 3.495 50 40 GGGB Cc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)cc1 13571471 GLZNWYVAESTYIC-CIAFOILYSA-N 393.472 3.100 50 40 GGGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 5892982 GJXMLYAANHCHCQ-WQZUMXOESA-N 377.400 3.106 50 40 GGGB Cc1ccc(CN(CCc2ccccc2)CC(=O)NNC(=O)C(C)(C)C)s1 71921864 KYYNMXRWYBKWQK-UHFFFAOYSA-N 387.549 3.295 50 40 GGGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)c1 409018582 HTPWTHRHBOEKAS-MLJKTZRHSA-N 396.399 3.101 50 40 GGGB O=C(O)c1cccc([N+](=O)[O-])c1C(=O)NNc1nc2c(Cl)cccc2s1 5889501 BLPGXGHHRSLWEZ-UHFFFAOYSA-N 392.780 3.313 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)c(OC)c(OC)c2)c1 6685675 NSKPMGZNSHBACI-KEBDBYFISA-N 378.812 3.138 50 40 GGGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 7698990 HGSRVWSSFKTNIH-OAHLLOKOSA-N 388.439 3.251 50 40 GGGB CN1/C(=C(/C#N)C(=O)COC(=O)c2ccc(Cl)nc2)Sc2ccccc21 12525043 STHFKNFUHINSJH-SFQUDFHCSA-N 385.832 3.438 50 40 GGGB N#C/C(C(=O)N1CCCCC1)=C1/N=C(NC(=O)c2ccccc2)c2ccccc21 2242253 ZZKARQWGSHPKDF-VXPUYCOJSA-N 384.439 3.124 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cccc(OC)c1OC)c1ccccc1 408976339 AMLAPGFMSKQFHV-NIZGNDASSA-N 399.447 3.031 50 40 GGGB CN(C)S(=O)(=O)c1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1 100812866 QZBKNOSCTGJQCD-NBVRZTHBSA-N 385.470 3.073 50 40 GGGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccc(O)cc1 841823 XKSSIWUZITXPJU-MRXNPFEDSA-N 379.441 3.103 50 40 GGGB COc1ccc(NC(=O)N/N=C\c2cc(Br)c(N(C)C)o2)cc1 408848516 QVSIFCWZBGBMLJ-MFOYZWKCSA-N 381.230 3.272 50 40 GGGB CCOC(=O)N1CCC(=NNC(=O)COc2ccc(C(C)(C)C)cc2)CC1 4933255 ZLJVLIMLCSGVOU-UHFFFAOYSA-N 375.469 3.087 50 40 GGGB Cc1cc(O[C@H](C)C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1C(C)C 40140310 JISISXQBTVRGHC-CQSZACIVSA-N 384.432 3.076 50 40 GGGB O=C(CSc1ccc(Cl)cc1)N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2 136362356 QNCSIBZTSXQIOZ-WSVATBPTSA-N 393.808 3.219 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OCC 5980267 VTIPMRDTRSJESJ-HYARGMPZSA-N 384.432 3.431 50 40 GGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(C)cc(C)c(COC(C)=O)c1C 1106668 IMJSKFCTALZXEY-FQEVSTJZSA-N 398.459 3.320 50 40 GGGB Cc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Br 102622783 SKLGBYSSACJLKX-WSZWITRCSA-N 384.657 3.158 50 40 GGGB Cc1ccccc1C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 9200565 RMXGZAZVWCXKNL-CAOOACKPSA-N 378.182 3.135 50 40 GGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N32)cc1 12275104 SIVKXVFYXYJTLP-KKSFZXQISA-N 396.443 3.477 50 40 GGGB Cc1c(C(=O)NNS(=O)(=O)c2ccc(F)c3ncccc23)oc2ccccc12 24578988 CFWRKPSABTTZQU-UHFFFAOYSA-N 399.403 3.052 50 40 GGGB O=C(Cc1nc2ccccc2[nH]1)NNC(=O)c1ccc(Oc2ccccc2)cc1 12595332 XTVSUSUQTABRQE-UHFFFAOYSA-N 386.411 3.359 50 40 GGGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCC(C)C)cc1 408605170 KTWIMFRCFHPMNV-QGZVFWFLSA-N 398.488 3.279 50 40 GGGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc2c(c1)OCO2 4545766 GJBNJWYDJRDXBJ-ZVHZXABRSA-N 386.407 3.273 50 40 GGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2c[nH]c3ccccc23)on1 4545568 RFTFEJSREYNEPR-UFFVCSGVSA-N 375.344 3.495 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1Br 5976275 SVDWFUUEZZRPSX-VXLYETTFSA-N 390.237 3.180 50 40 GGGB COc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(OC)c(OC)c3)[nH]n2)cc1 5561892 GMFUWEBOUKIKRP-XKZIYDEJSA-N 394.431 3.257 50 40 GGGB CCCN(CCC)c1ccc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)cc1 3113474 BCLNZHCLUBYLFL-MFKUBSTISA-N 398.482 3.332 50 40 GGGB Cc1ccccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 4852676 RMPUBRMDINOLFX-LBPRGKRZSA-N 397.258 3.296 50 40 GGGB COc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)cc1[N+](=O)[O-] 682778 AQTKJHWWXRZOKR-RGVLZGJSSA-N 380.360 3.331 50 40 GGGB COc1cc(OC)cc(C(=O)NNC(=S)Nc2cccc(Cl)c2C)c1 1410853 GTIZMLLAXDVAHB-UHFFFAOYSA-N 379.869 3.297 50 40 GGGB CCOc1c(Br)cc(C(=O)NNC(=O)CC(C)(C)C)cc1OC 12866959 YKBNGBLUCUXYNU-UHFFFAOYSA-N 387.274 3.054 50 40 GGGB N=C(COc1ccc(F)cc1)NNC(=O)c1cccnc1Oc1ccccc1 4001959 LWUOWKBITMYKMJ-UHFFFAOYSA-N 380.379 3.304 50 40 GGGB CCOC(=O)c1csc(-n2nc(-c3ccccc3)cc2NC(=O)CCl)n1 5243850 IUCJSYCWNGQXII-UHFFFAOYSA-N 390.852 3.350 50 40 GGGB O=C(COc1ccccc1)N/N=C/c1cc2cc([N+](=O)[O-])ccc2nc1Cl 408728315 JQIGQSCWNVKPER-KEBDBYFISA-N 384.779 3.326 50 40 GGGB COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1 12275600 BWBUAFAOZISIFH-LAUBAEHRSA-N 396.443 3.477 50 40 GGGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1O 4702525 GYPXBGOLJAQTLQ-CNHKJKLMSA-N 384.175 3.380 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 409269637 LAEZSRLGPNGELZ-DXRSZSRVSA-N 397.862 3.408 50 40 GGGB O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1ccc(Br)cc1 6058457 XJJXNZHSTIICOR-UHFFFAOYSA-N 378.613 3.189 50 40 GGGB COc1ccc(/C=N/NC(=O)CNc2cccc(Br)c2)cc1OC 1434289 DVCVHFUXOPNYOX-KEBDBYFISA-N 392.253 3.029 50 40 GGGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)NCCc1ccccc1 7158753 GOWHMCREQDUMLV-OVCLIPMQSA-N 399.244 3.444 50 40 GGGB Cc1ccc(Cn2cc([N+](=O)[O-])c(C(=O)N/N=C/c3cccc(F)c3)n2)cc1 659774 NRXQRHHBCCXRPU-UFFVCSGVSA-N 381.367 3.051 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1O 993660 IBDPVIPVFICNOG-GIJQJNRQSA-N 379.210 3.023 50 40 GGGB CC(=O)[C@@H](C(=O)Nc1ccc(C)cc1)[C@@H]1C(=O)c2ccccc2C(=O)[C@H]1Cl 104195211 FGKNCAPISWXPGB-SQNIBIBYSA-N 383.831 3.442 50 40 GGGB C=CCSC1=C(C#N)[C@@H](c2cc(Br)c(O)c(OC)c2)CC(=O)N1 9087192 MEZWCJSURFLCQS-SNVBAGLBSA-N 395.278 3.421 50 40 GGGB COc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1OC 225368472 CDMNILPTGCCTHB-JJFYIABZSA-N 384.432 3.265 50 40 GGGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 5722547 HERSTKAHKKQYRA-CMMNWNKSSA-N 396.241 3.339 50 40 GGGB O=C(COc1ccc2ccccc2c1)NNC(=O)CSc1ccccc1F 6510537 MVXFCUKQKYCXIV-UHFFFAOYSA-N 384.432 3.297 50 40 GGGB Cc1ccc(OCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c(C)c1 6844002 AKDDZZFTNVBZJX-UHFFFAOYSA-N 384.476 3.340 50 40 GGGB O=C(N/N=C1/CCS(=O)(=O)c2ccc(F)cc21)c1cc2c(s1)CCCC2 33045815 MVMMROSFMAOJME-ZHZULCJRSA-N 392.477 3.078 50 40 GGGB CCn1nc(C(=O)NNC(=O)C2CCC(C(C)(C)C)CC2)c2ccccc2c1=O 12772588 BDNLAIZZBGANIR-UHFFFAOYSA-N 398.507 3.030 50 40 GGGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccc(Cl)cc1Cl 408904388 ISANNZFNDIEJKN-GHXNOFRVSA-N 390.226 3.403 50 40 GGGB CCN1C(=O)/C(=N\NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc21 5791875 YNOMCQDPQOZIGG-FLFQWRMESA-N 379.460 3.384 50 40 GGGB CCCCOc1ccc(-c2n[nH]cc2-c2cc(C(=O)NN)oc2C)c(O)c1C 26571884 DZGVEFUSWJIQNZ-UHFFFAOYSA-N 384.436 3.442 50 40 GGGB CO[C@@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1 408997944 PDWMEAYSVIUJDS-INKLHFNDSA-N 396.447 3.423 50 40 GGGB Cc1ccc(/C=C/C(=O)NNC(=O)COc2cccc(C(F)(F)F)c2)s1 19176115 RUYVZSSGYGYMOU-BQYQJAHWSA-N 384.379 3.315 50 40 GGGB COc1ccc(CC(=O)N/N=C\c2ccc(Br)cc2)cc1OC 5514246 ACYTZBMMKLXGNA-ODLFYWEKSA-N 377.238 3.159 50 40 GGGB N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@@H]1c1ccc(O)cc1 1244222 DDYCSVGOZFLGFB-QGZVFWFLSA-N 394.452 3.207 50 40 GGGB Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)COc1cccc(N(C)C)c1 108973035 NNBOYNKUJVAURO-OYKKKHCWSA-N 398.482 3.329 50 40 GGGB CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)C2CCCCC2)cc1 8326939 XQHNDUKWOJKWRS-AWEZNQCLSA-N 391.537 3.181 50 40 GGGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 6199420 TZTUMQMHGJIJIS-WNAAXNPUSA-N 399.450 3.441 50 40 GGGB O=C(NNc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12)c1ccccc1Cl 4548971 ZTBKTEYDCVYSPI-UHFFFAOYSA-N 387.739 3.462 50 40 GGGB CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)c3cccc(C(N)=O)c3)cc2C1 28425155 WZROOGRUVFXZKQ-HNNXBMFYSA-N 399.516 3.073 50 40 GGGB COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)ccc1C 408602251 BFVUIQCUSDQLRL-KRWDZBQOSA-N 398.488 3.340 50 40 GGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1cccc(Cl)c1 408864258 XZXRGVWYMAKNFD-OEAKJJBVSA-N 399.878 3.495 50 40 GGGB CCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2Cl)c2ccccc21 46085164 QGALMORCKMOTBM-NMWGTECJSA-N 385.851 3.386 50 40 GGGB CC[C@H](NNC(=O)c1oc2ccccc2c1C)C(=O)Nc1ccc(OC)cc1 8988085 LETJMLZKWQKDOZ-KRWDZBQOSA-N 381.432 3.402 50 40 GGGB CCOc1cc(C(=O)NNC(=O)C[C@H]2C=CCC2)cc(OCC)c1OCC 8141129 UAJMWGBMKKZOCO-AWEZNQCLSA-N 376.453 3.000 50 40 GGGB O=C(NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)n1)c1ccccc1 22996548 XCPVHDYXGBLKFJ-UHFFFAOYSA-N 377.244 3.194 50 40 GGGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccco2)cc1OC 54280123 RPIDBORWYLKLFG-VCHYOVAHSA-N 379.210 3.379 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccc(C)cc1 35110167 QRSPYODXEUSMAA-SBOLGIJOSA-N 391.496 3.476 50 40 GGGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(OC[C@H]2CCCO2)c1 12737095 DQIPFILSRPYBED-LZGZYFLISA-N 398.503 3.222 50 40 GGGB Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1-c1ccccc1C(=O)O 409217343 PIFCPLMDGSSXGO-UUYOSTAYSA-N 377.400 3.262 50 40 GGGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2)cc1 409367751 KLSIQWUCEVRLOU-NBVRZTHBSA-N 376.412 3.444 50 40 GGGB NC(=O)Cn1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c2ccccc21 33773188 KBQWUQOAOGISOT-NUGSKGIGSA-N 394.818 3.290 50 40 GGGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2ccc(N(C)C)cc2)CC1 1095056 TZRQKZIMGFHZRM-LFVJCYFKSA-N 392.503 3.064 50 40 GGGB Cc1cc(C(=O)NNC(=O)CCl)nn1-c1c(Cl)cc(Cl)cc1Cl 2555941 SGGJPRHXKFDUDM-UHFFFAOYSA-N 396.061 3.141 50 40 GGGB CCOc1ccc([C@H]2[C@@H](C(=O)C3CC3)N3C=C(C#N)C=C[C@@H]3C2(C#N)C#N)cc1 4728672 PTLNYAIIUWITKU-HKBOAZHASA-N 384.439 3.212 50 40 GGGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC[C@H]3C)=C2C#N)cc1 6454999 JSMIFKBBRADWNR-PBHICJAKSA-N 399.516 3.168 50 40 GGGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC[C@@H]3C)=C2C#N)cc1 6477537 GRIMWRRQHFHHPD-RDJZCZTQSA-N 383.517 3.468 50 40 GGGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc(C2CC2)on1 25530020 WOFCYSREYBDJMI-UHFFFAOYSA-N 377.400 3.059 50 40 GGGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)c1cccc(F)c1 2269667 RWGFBBFDGKGIAA-DHRITJCHSA-N 393.418 3.258 50 40 GGGB Cc1sc(NC(=O)c2ccccc2)c(C(=O)NN=C2C=CC(=O)C=C2)c1C 9193917 AQSHSUMGNHKACF-UHFFFAOYSA-N 379.441 3.398 50 40 GGGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccnc2)/C(=C/c2cccnc2)C1 19911275 ZJCHLIOEUWOQSJ-RXPRDNMRSA-N 385.471 3.346 50 40 GGGB aggregator O=C(NCCc1ccccc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OC(CCl)CCl 254430500 VVGKSGDVIYYAIP-UOVPBQLFSA-N 396.314 3.173 50 40 GGGB NC(=O)COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 1102774 UUMLEVRPTZNQHP-WYMPLXKRSA-N 387.395 3.214 50 40 GGGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)n1 6189219 RVCJCIURZSEANC-CIAFOILYSA-N 377.404 3.220 50 40 GGGB CCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(OCC)cc2)CC(=O)N1 6323084 PWCQRGAOZGCHBG-INIZCTEOSA-N 387.505 3.073 50 40 GGGB O=C(N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccncc1 6816735 QXBOCCAZUNAHTI-FOKLQQMPSA-N 388.383 3.140 50 40 GGGB CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 2743228 KQFSKCMBZVBBSX-SSDVNMTOSA-N 379.338 3.193 50 40 GGGB Cc1ccc(OCC(=O)NNC(=O)CCSc2ccc(F)cc2)c(C)c1 12678708 HCXIUZMJMDCCGB-UHFFFAOYSA-N 376.453 3.151 50 40 GGGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccncc3)cc2)cc1 3326212 LHIZJLVXVLRCQN-UHFFFAOYSA-N 391.427 3.134 50 40 GGGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)o1 409043753 AJAZPFUKVCLIEK-SRZZPIQSSA-N 376.328 3.196 50 40 GGGB CC(=O)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 409010101 DHKBWPZIVJINGV-DJKKODMXSA-N 391.221 3.196 50 40 GGGB COc1cc2c(cc1/C=N/NC(=O)c1cc3ccccc3cc1OC)OCO2 33759568 VOXLYEPWRLDMQD-SSDVNMTOSA-N 378.384 3.350 50 40 GGGB COc1cc(Cl)c([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 2502501 JFWGOQMYGZSXGD-SFHVURJKSA-N 386.791 3.304 50 40 GGGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc2c(c1)OCO2 1436439 YSBVQLDXGYCBPC-UFFVCSGVSA-N 382.807 3.327 50 40 GGGB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 2166110 UBWIRJAAUMMXNR-NNFRIUHZSA-N 380.492 3.047 50 40 GGGB CC1(C)C(C#N)=C(S[C@@H](C(=O)N2CCCC2)c2ccccc2)NC(=O)[C@H]1C#N 5333821 DRFUVVDGXDSFFQ-NVXWUHKLSA-N 394.500 3.114 50 40 GGGB Cc1ccc(Cn2nc(C)c(C(=O)NNC(=O)c3ccoc3C)c2Cl)cc1 14845033 NFTVPIBOQXBDCA-UHFFFAOYSA-N 386.839 3.178 50 40 GGGB CC(C)Cn1nnnc1S[C@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1 102210675 HCHNUASXYDYSLG-VSORXJBLSA-N 386.506 3.332 50 40 GGGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)sc(C)c1C 1453544 YJLPHLJOZJNFMJ-NTUHNPAUSA-N 386.429 3.411 50 40 GGGB O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444663 SYURTMHRJKIBIA-ZVHZXABRSA-N 391.402 3.494 50 40 GGGB I[C@@H]1[C@H]2[C@@H]3C[C@@H]1[C@H]1C[C@@H]3[C@@H](I)[C@@H]21 105027369 KYMLEMSCKGSBAT-RWFYZBESSA-N 386.014 3.125 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCC(=O)O 409052077 FXVDJCHKIXRJCW-UFFVCSGVSA-N 390.823 3.274 50 40 GGGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccccc2N)o1 408728674 RDERMVUCQNWBBI-SRZZPIQSSA-N 380.360 3.210 50 40 GGGB Cn1cc(Br)c(C(=O)N/N=C/c2ccc(Cl)cc2Cl)n1 1086828 RRIWDSFMZVDJRF-FZSIALSZSA-N 376.041 3.253 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)n1 8336697 VJUXKXAIGATPLB-SSDVNMTOSA-N 391.456 3.468 50 40 GGGB O=C1CC[C@@H]2[C@@H]3C[C@H]4N(CC[C@@]45c4ccccc4N1[C@@H]25)C/C3=C\CBr 6583473 NHUQKLCOSVGDHY-FMNICOMMSA-N 399.332 3.479 50 40 GGGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1C1CCCCC1 100548200 BUNAMEKZEQPHFL-NNYUYHANSA-N 393.119 3.241 50 40 GGGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)o1 2795035 ZIZWNQWRPOEOSQ-HFQYIWAZSA-N 380.400 3.155 50 40 GGGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cc2cc(F)ccc2s1 12993359 BDORRXNHBSPQKP-NSHDSACASA-N 383.404 3.141 50 40 GGGB COc1ccc([C@@H]2O[C@@](C)(CBr)C(=O)[C@@H]2Br)cc1 4476603 BBAHDLBBQNAVTM-MDZLAQPJSA-N 378.060 3.253 50 40 GGGB Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCC(C)C)c3ccccc32)cc1 5324210 JVNFZPRVWLDJOT-VXPUYCOJSA-N 386.455 3.192 50 40 GGGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1 4631548 FXEWDELMXSDVGF-LEWJYISDSA-N 399.498 3.256 50 40 GGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 4746618 WDYNTHFYUIDNEZ-CIAFOILYSA-N 393.355 3.246 50 40 GGGB C/C(=N/NC(=O)COc1ccc(Br)cc1C#N)c1cccs1 4721280 JRMSEQKPFGAQKB-ZDLGFXPLSA-N 378.251 3.301 50 40 GGGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(Cl)c2)cc1 409253318 AXYYZJFPFQFWRF-CIAFOILYSA-N 389.839 3.313 50 40 GGGB CCc1sc(C(=O)NNC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1C 6549196 BDPNYVLRWHTKTE-UHFFFAOYSA-N 382.489 3.496 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccco1 1425009 FXKDRPKFPOCUIU-WSDLNYQXSA-N 379.372 3.056 50 40 GGGB O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)N1C1CCCCC1 18194016 BUNAMEKZEQPHFL-FIQHERPVSA-N 393.119 3.241 50 40 GGGB Cc1ccc(C(=O)NNC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 40068778 HSDGDIOZQQOSME-CQSZACIVSA-N 380.448 3.049 50 40 GGGB CCOC(=O)c1cnn(-c2ccc(NC(=O)CCl)cc2)c1C(F)(F)F 2555829 UPRNLESKMIAUJS-UHFFFAOYSA-N 375.734 3.245 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 40140384 DJMLRJFTXWGAGQ-NXEZZACHSA-N 378.778 3.478 50 40 GGGB O=C1/C(=C/c2ccc3c(c2)CCN3CCCCl)C(O)=NC(=S)N1C1CC1 2591392 OZVJFSDUSSGCSJ-RVDMUPIBSA-N 389.908 3.307 50 40 GGGB N#C/C(=C\c1ccncc1)C(=O)Nc1ccc(I)cc1 2801905 UKYWYYLJNOMJHZ-FMIVXFBMSA-N 375.169 3.232 50 40 GGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2/CCCc3ccccc32)c1 38330764 RDIAZHJMZFLCDQ-XDOYNYLZSA-N 399.516 3.188 50 40 GGGB Cc1nc(C(C)(C)C)nc2sc(C(=O)NNC(=O)c3ccccn3)c(C)c12 22505153 HHLPLKVFZBXNBT-UHFFFAOYSA-N 383.477 3.075 50 40 GGGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)cc1 409132749 JWIDXCYMDHOZLY-AWEZNQCLSA-N 399.497 3.467 50 40 GGGB COc1ccc(OCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 41078018 TXPNQPLFJLLCHA-LFVJCYFKSA-N 391.427 3.312 50 40 GGGB COc1cccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2O)c1O 843344 CHODJUORWAPCOB-WSDLNYQXSA-N 379.416 3.278 50 40 GGGB CCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NC)N(c3ccccc3)C2=O)cc1 2231255 JQCSCSXQNOAYBI-ODUYVQIQSA-N 391.496 3.421 50 40 GGGB COc1ccc(OC)c([C@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2C)c1 818272 AAMDXYIGHOLWEH-SFHVURJKSA-N 381.457 3.312 50 40 GGGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)o1 1088519 WOXYYSFWYOJWPE-CIPMJJFUSA-N 379.372 3.347 50 40 GGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 408608610 HWSPLQGZESMEDC-LVCXCXRVSA-N 387.867 3.284 50 40 GGGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408708081 NZBXZNJLWVHRCP-SSDVNMTOSA-N 376.819 3.199 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCCCCC3)o2)n1 8336689 AESHWJJKRANSSB-UDWIEESQSA-N 387.509 3.309 50 40 GGGB COc1cc(Br)ccc1OCC(=O)N/N=C(\C)c1cccs1 5221882 FGRSWOGWNFJSHZ-LICLKQGHSA-N 383.267 3.438 50 40 GGGB CCCCC(=O)NN/C=C1\C(=O)N(c2ccc(C(C)C)cc2)C(=S)N=C1O 2293402 IDKIDWOKFXCLQF-PTNGSMBKSA-N 388.493 3.093 50 40 GGGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1O 4699080 FYOKITHIJBXQAI-UFWORHAWSA-N 389.751 3.473 50 40 GGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408612474 VOPRACDTXCQEJV-OFJBCHTGSA-N 387.867 3.284 50 40 GGGB CCOc1cc(C(=O)NN)cc(Br)c1OCc1ccc(C)cc1 216837050 LSQLMAGELZEHHU-UHFFFAOYSA-N 379.254 3.339 50 40 GGGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1cccs1)C(C#N)=C(N)O2 1476134 YLXOGVYRCMTPTR-GOSISDBHSA-N 375.453 3.485 50 40 GGGB C/C(=N\NC(=O)c1ccccc1Br)c1ccc2c(c1)OCCO2 5159722 HOSMWQSTVLTOBT-YBFXNURJSA-N 375.222 3.374 50 40 GGGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)c1 718596 JMAXCWZXIPSZIK-KRWDZBQOSA-N 392.390 3.451 50 40 GGGB Cc1cc(SC#N)ccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 7708985 PGZIQNPQKSHQGM-UHFFFAOYSA-N 387.486 3.496 50 40 GGGB O=C(N[C@@H](Cc1ccccc1)C(=O)N(CCCl)CCCl)c1ccccc1 2043685 ZJHRRBJLUJRPOA-SFHVURJKSA-N 393.314 3.334 50 40 GGGB CCOC(=O)COc1cccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c1 6955102 MAJCKWKEIHXLKZ-WSDLNYQXSA-N 396.399 3.147 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC 2708465 PJHIDUVBPLFTOB-NTUHNPAUSA-N 383.360 3.166 50 40 GGGB O=C(O)c1cc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)OC3=O)ccc1O 98043775 WEXSZPBNKGJUBP-UHFFFAOYSA-N 394.295 3.206 50 40 GGGB Cc1cccc(/C=N/NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)n1 3664569 ARSRTSGHODZSHF-KKLLDSGKSA-N 384.439 3.311 50 40 GGGB COc1ccccc1OCC(=O)N/N=C(\C)CC(=O)Nc1ccccc1Cl 100310679 HMGBNBUOYYQJTC-LPYMAVHISA-N 389.839 3.248 50 40 GGGB N#CSc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(Br)c1 102633153 UZQBJOAVZLVNAT-WBRVRECLSA-N 393.262 3.484 50 40 GGGB Cc1cc2c(c(=O)o1)[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 706089 JTABFOTVWHKDHX-CYBMUJFWSA-N 377.169 3.068 50 40 GGGB O=C(NNC(=O)c1ccccc1Br)c1ccc(Br)cc1 704714 YDEBNPRWAIWQJX-UHFFFAOYSA-N 398.054 3.286 50 40 GGGB CCOC(=O)c1cc(/C=N/NC(=O)c2ccc(Br)cc2)sc1N 3166950 BXCOZNDHRSQIKU-QGMBQPNBSA-N 396.266 3.033 50 40 GGGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1 409369636 DITXITQYPKWUNI-YDZHTSKRSA-N 377.400 3.295 50 40 GGGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N2NC=C(C#N)C2=N1 8991598 ZUJJZHDNNLHXOK-HXUWFJFHSA-N 399.410 3.009 50 40 GGGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1O 409021430 HCEPJXVMYLTITB-UWVJOHFNSA-N 389.751 3.473 50 40 GGGB CCOc1ccc(/C=N/NC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)cc1 2208630 AVBVTRJODIFTFO-WSDLNYQXSA-N 397.431 3.356 50 40 GGGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)COc2ccccc2)o1 8103009 NVRGNVUZCKRAKR-LPYMAVHISA-N 378.384 3.262 50 40 GGGB Cc1ccc(Cl)cc1NC(=O)[C@@H](Br)[C@@H](Br)C(=O)O 1739552 MAUKWNXOENKBJU-DTWKUNHWSA-N 399.466 3.199 50 40 GGGB O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1C1CCCCC1 101136872 BUNAMEKZEQPHFL-WYUUTHIRSA-N 393.119 3.241 50 40 GGGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1cccs1 20212681 GXKWWJNFWQOGON-LDADJPATSA-N 399.925 3.016 50 40 GGGB Cc1noc(C)c1CSCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 6943688 AWEHLCOLQSCWOT-UHFFFAOYSA-N 391.537 3.279 50 40 GGGB CCOc1cc2c(cc1/C=N/NC(=O)c1cccc(-n3cccc3)c1)OCO2 409103702 FDFXEKVNMRNTDW-LPYMAVHISA-N 377.400 3.369 50 40 GGGB O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409258442 XBDSCKBBHUDEOO-WVISFHDSSA-N 376.243 3.497 50 40 GGGB CCOc1ccc(CC(=O)N/N=C\c2cc(Br)ccc2O)cc1 408711700 GOXVAHVMMFBVNR-ODLFYWEKSA-N 377.238 3.246 50 40 GGGB CCOC(=O)COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OC 409208331 FEUQWMIAMQMKEL-BOPFTXTBSA-N 394.427 3.491 50 40 GGGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@H]1c1ccc(Cl)cc1Cl 5567980 JJNDNGHKOMXXBV-KWBADKCTSA-N 377.153 3.265 50 40 GGGB O=C(NNC(=O)C1C2CC3CC(C2)CC1C3)c1cccc(Br)c1 5749713 MXIHOZXFRQFKNT-UHFFFAOYSA-N 377.282 3.282 50 40 GGGB COc1cc(/C=N/NC(=O)c2cc3ccccc3nc2C)cc(OC)c1OC 3032223 DCVLPRROELYNIB-WSDLNYQXSA-N 379.416 3.333 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)c2cncc(Br)c2)cc1OC 4599130 LBOUZFOGEQNQBG-VXLYETTFSA-N 378.226 3.015 50 40 GGGB CN(C)CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1 5674767 CORPPEYPLURLNY-CYVLTUHYSA-N 385.471 3.124 50 40 GGGB O=C(NCc1ccc(C(=O)NNc2ncnc3ccccc23)cc1)c1ccccc1 585139057 IDOPVZODXRJRDK-UHFFFAOYSA-N 397.438 3.317 50 40 GGGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C(F)(F)F)cc1 2163260 RKMFHCIXCIPQOD-UHFFFAOYSA-N 387.701 3.342 50 40 GGGB O=C(N[C@@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=O)c1ccc(Cl)cc1 101087828 PAYXFNXQJJNGHT-QGZVFWFLSA-N 396.661 3.146 50 40 GGGB O=C(Cc1ccc([N+](=O)[O-])cc1)NNC1=C(C(=O)C(F)(F)F)CCCCC1 59489008 KXEOFLKFIBMJBB-UHFFFAOYSA-N 385.342 3.108 50 40 GGGB COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2Cl)c1 3455553 IOVXCQAQQKICKA-UHFFFAOYSA-N 383.231 3.014 50 40 GGGB COc1cccc(C(=O)N/N=C\c2cccc(I)c2)c1 33740629 PENDKJHCEVGKIT-YVLHZVERSA-N 380.185 3.064 50 40 GGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2)cc1 5996567 PHPVZGWKYVCGHF-WJDWOHSUSA-N 380.400 3.426 50 40 GGGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 59960268 NNIWBJYIGHMQSY-OEAKJJBVSA-N 390.443 3.192 50 40 GGGB CN1C(=O)/C(=N\NC(=O)C2c3ccccc3Oc3ccccc32)c2ccccc21 2745073 FFKIAKWJVAUNAO-FLFQWRMESA-N 383.407 3.421 50 40 GGGB Cc1cc2c(c(=O)o1)[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 706088 JTABFOTVWHKDHX-ZDUSSCGKSA-N 377.169 3.068 50 40 GGGB C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1 10278249 VAAXGFCEKHPTRB-LLVKDONJSA-N 394.244 3.222 50 40 GGGB O=C(N/N=C/c1c(Cl)cccc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1 2233054 PRMMYRJFMNZLLS-SQWLXVSWSA-N 376.243 3.497 50 40 GGGB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(O)cc2)N2NC=C(C#N)C2=N1 13569782 XTWGCHAVOGHHOR-FQEVSTJZSA-N 385.427 3.294 50 40 GGGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)NC1CCCCC1 409004238 BLMVFOBWFCIXBG-HZHRSRAPSA-N 379.460 3.165 50 40 GGGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)C(C)(C)C 4545818 WBEQXSUPPSKRHL-VCHYOVAHSA-N 394.324 3.298 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(F)cc1 408972205 NJZRHBLHTKRNBX-WYMPLXKRSA-N 396.397 3.461 50 40 GGGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 33367087 VQNLQQHCIDLJTC-SFDYMUJDSA-N 385.420 3.474 50 40 GGGB CCc1ccc(OCC(=O)N/N=C(/C)c2cc(OC)c(OC)c(OC)c2)cc1 33572808 HZVDQEKTRGVZTE-HMAPJEAMSA-N 386.448 3.194 50 40 GGGB O=C(CCCC[C@@H]1CCSS1)N1CCc2nc3ccccn3c(=O)c2C1 575610030 OLSBMSVERAHJAW-CQSZACIVSA-N 389.546 3.293 50 40 GGGB CC1CCN(C(=O)/C(C#N)=C\c2ccc(I)cc2)CC1 33337389 GIOXLPSOVRUAOF-UVTDQMKNSA-N 380.229 3.457 50 40 GGGB COc1ccc(C(=O)NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 16508335 TXHVUEKJZVPVCI-ZDUSSCGKSA-N 377.444 3.376 50 40 GGGB O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccc([N+](=O)[O-])cc1 408973655 NOBJONMZLLDXPZ-RGVLZGJSSA-N 379.328 3.317 50 40 GGGB COc1ccccc1OCC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C 408892703 JBNBUIJKBRLMAM-WSDLNYQXSA-N 398.850 3.372 50 40 GGGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(C(C)C)cc3)CC2=O)cc1 33927205 HAPOTYXKKFLMBU-VLZFXTDASA-N 379.460 3.322 50 40 GGGB CC(C)=NNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 19949599 AHNRBAPLGPQSTH-UHFFFAOYSA-N 393.896 3.356 50 40 GGGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1OC 6259378 LVUPOCOEHNKDSL-UDWIEESQSA-N 387.233 3.234 50 40 GGGB CCOC(=O)[C@@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 1652301 KKPNLRXPWMWDBR-UWVGGRQHSA-N 381.020 3.357 50 40 GGGB COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc(OC)c1O 3255059 YMLYOTJEXBKETE-WSDLNYQXSA-N 386.448 3.236 50 40 GGGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)NCCCc1ccccc1 409220909 HPATYBXDNCISAC-BOPFTXTBSA-N 395.415 3.268 50 40 GGGB CCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(Br)c1OC 38377057 MGWVBENUQUXFEN-GRSHGNNSSA-N 393.237 3.326 50 40 GGGB CC(C)(C)OC(=O)C[C@@H](CI)NC(=O)OC(C)(C)C 96024965 FHEMZYHXWAKDML-VIFPVBQESA-N 385.242 3.047 50 40 GGGB COc1ccc(CC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 21286108 NMQIWWUMASMSTP-UHFFFAOYSA-N 399.325 3.317 50 40 GGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1 2911474 ZNQWLLVVFFJFRR-XSFVSMFZSA-N 399.497 3.094 50 40 GGGB C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 5892655 GJXMLYAANHCHCQ-IXOWOOARSA-N 377.400 3.106 50 40 GGGB C[C@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)N(C)Cc1ccccc1 96514157 PLCIYDOVNIAKTJ-PNWWAVQQSA-N 391.471 3.250 50 40 GGGB COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(OC)c1C 408965758 LUJNEXRKECHNFY-KEBDBYFISA-N 383.360 3.431 50 40 GGGB COc1cccc(C(=O)N/N=C(\C)c2ccc(I)cc2)c1 408781121 AMQFJDAHNIDOAA-WOJGMQOQSA-N 394.212 3.454 50 40 GGGB O=C(Oc1ccc(/C=N/NC(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 8043561 DMXITJZMOODWEM-UDWIEESQSA-N 379.328 3.171 50 40 GGGB Cn1cc(/C=N/NC(=O)[C@@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)cn1 6393197 YGSGGFXCWOMNJM-WGEMGIBQSA-N 378.480 3.357 50 40 GGGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2cccc3ccccc23)cc1 12292716 TUEVJDLHOKMGFQ-INIZCTEOSA-N 378.428 3.142 50 40 GGGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OC 59486906 CMJBPBYWZPEYDO-RGVLZGJSSA-N 384.461 3.213 50 40 GGGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CC3CCCC3)cc2)cc1 3311181 GQWZEKVAZSUEQL-UHFFFAOYSA-N 377.444 3.332 50 40 GGGB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2nccnc12 5025852 GGEWGZBIMBHUCW-WJROLRPUSA-N 385.468 3.019 50 40 GGGB CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1I 408786165 GALURANQLCKBCZ-GHXNOFRVSA-N 384.217 3.121 50 40 GGGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2F)c(Br)c1 40140317 XOBDCIXWKMQQCA-NSHDSACASA-N 395.228 3.125 50 40 GGGB CCO[Si](CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(OCC)OCC 195977164 PKFHRDQMVBGXGO-UHFFFAOYSA-N 387.465 3.353 50 40 GGGB O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C1/C(=O)Nc2ccccc21 6062563 RBIZOIUGYMAVII-UHFFFAOYSA-N 398.633 3.498 50 40 GGGB CC(C)(C)OC(=O)[C@@H]1C[C@H](I)CN1C(=O)OC(C)(C)C 1565504834 PFNSQCKVHVWPPF-UWVGGRQHSA-N 397.253 3.141 50 40 GGGB O=C(CSc1ncnc2sc3c(c12)CCCC3)NNC(=O)c1ccccc1 888507 DSFGJCJKLGMGOR-UHFFFAOYSA-N 398.513 3.123 50 40 GGGB CCc1nc(N2CCN(C(=O)CCl)CC2)c2c3c(sc2n1)C[C@H](C)CC3 1377065 BOUWNGNDHMQJOU-GFCCVEGCSA-N 392.956 3.266 50 40 GGGB O=C(NN1C(=O)[C@H](Cl)[C@H]1c1c(O)ccc2ccccc12)c1ccccc1O 1633540 DRQSPJXYANHMHN-QZTJIDSGSA-N 382.803 3.087 50 40 GGGB O=c1[nH]c2c(cc1Br)[C@H](Br)[C@@H](Br)C=C2 1700641 SHJRWGOFVFLJLT-XNCJUZBTSA-N 383.865 3.364 50 40 GGGB O=C(N/N=C\c1ccc(O)c(I)c1)Nc1ccc(F)cc1 408904559 LKPNPVAGUDJJKW-IUXPMGMMSA-N 399.163 3.292 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)NC(C)C)c(C)n1-c1cc(Cl)cc(Cl)c1 4091306 JGDIJAWQOYEOBW-ZVBGSRNCSA-N 395.290 3.376 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)cc1 408534630 WFSBEYPBFUXIFJ-DJKKODMXSA-N 391.225 3.228 50 40 GGGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 3096364 JAQITVNMSJFYIW-KEBDBYFISA-N 380.231 3.481 50 40 GGGB CCn1c(SCC(=O)N/N=C\c2ccc(O)cc2)nnc1-c1ccc(C)cc1 30750280 YUOKUJYQIVWMJM-MTJSOVHGSA-N 395.488 3.221 50 40 GGGB O=C(NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1 2662471 FHMVSOSUYZMWSM-UHFFFAOYSA-N 383.411 3.009 50 40 GGGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccc(I)c1 2306097 OGEZJIUMEBHUMT-HNNXBMFYSA-N 390.180 3.215 50 40 GGGB O=C(N/N=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1O 409119344 TVIXBVFAHPYPFZ-NHDPSOOVSA-N 395.400 3.006 50 40 GGGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc(C)c(C)c2)cc1 4691042 BZPKDGGSMJDCBY-XQNSMLJCSA-N 383.448 3.212 50 40 GGGB O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccc2c(c1)OCO2 408728755 SXFVJSYJHIDZSA-UFFVCSGVSA-N 378.340 3.137 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCC#N 408821267 FMQUSWWJAKIGAF-PDGQHHTCSA-N 391.427 3.220 50 40 GGGB COC(=O)c1ccc(N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 5488847 OACCIEVYWKTSBR-WJDWOHSUSA-N 376.821 3.377 50 40 GGGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccccc2O)cc1Cl 100816698 FHRMRCXLXBUARJ-SRZZPIQSSA-N 375.812 3.189 50 40 GGGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 778832 XYCZIUBCVLDZIH-QZTJIDSGSA-N 392.367 3.270 50 40 GGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1 2626403 XICHWZQJUCAYBZ-QGZVFWFLSA-N 392.806 3.063 50 40 GGGB COc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccccc3)c2)cc1 8116988 OFQHFAOPFMLHQC-UHFFFAOYSA-N 389.411 3.022 50 40 GGGB COc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1 8167118 JWNRIKRXAJGLSU-UHFFFAOYSA-N 389.411 3.022 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C\N2CCN(c3ccc(F)cc3)CC2)cc1 58159424 KCTPXQYKAFEXMT-NXVVXOECSA-N 380.423 3.002 50 40 GGGB CCOC(=O)/C(C#N)=C/Nc1ccccc1NS(=O)(=O)c1ccc(C)c(C)c1 13597963 BDEWMQMQZXANCZ-DTQAZKPQSA-N 399.472 3.487 50 40 GGGB CCOc1cc(C(=O)N/N=C/c2ccc(O)c(O)c2)cc(OCC)c1OCC 6047750 YAFSYFLJXUFGSG-CIAFOILYSA-N 388.420 3.058 50 40 GGGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1ccc([N+](=O)[O-])s1)CO2 4523690 LKZJDEQNMRAMJE-HBFFOVPNSA-N 389.433 3.244 50 40 GGGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)c1OC 408995217 AYGQLXLGVMKUAE-LPYMAVHISA-N 383.448 3.090 50 40 GGGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7165653 HIJILKMEUQYIMU-FOWTUZBSSA-N 377.425 3.033 50 40 GGGB CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 2697811 YSRAUOHMEONRHL-OEAKJJBVSA-N 378.432 3.436 50 40 GGGB COc1cc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1O 104166550 LPWNAXBYKDHROT-UCQKPKSFSA-N 389.411 3.417 50 40 GGGB CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Cl)cc4)[C@@H]3[C@@H]1CC2 100679174 VQFVQSKBUXDLQC-QZHFEQFPSA-N 375.863 3.226 50 40 GGGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)[C@H](O)c1ccccc1 1102791 KQMCWUCLDRNTBN-PGNNWUFWSA-N 383.335 3.178 50 40 GGGB COc1cc(OC)cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2C)c1 1410854 DYZYJIZIGMXKMU-UHFFFAOYSA-N 379.869 3.297 50 40 GGGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc2cc(F)ccc2s1 26532727 BWPGOJDGCLEGFV-JTQLQIEISA-N 376.384 3.408 50 40 GGGB O=C([C@H](Br)CBr)n1c(=O)oc2cc(Cl)ccc21 2345305 VIOIGMCJHGSWTH-ZCFIWIBFSA-N 383.423 3.047 50 40 GGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1 4118996 UYPRNBYBLVMLRU-DEDYPNTBSA-N 397.391 3.257 50 40 GGGB NC(=O)N/N=C(\C(=S)Nc1ccc(Br)cc1)c1ccccc1 68572217 AHAIMNXEANSXBK-UYRXBGFRSA-N 377.267 3.261 50 40 GGGB COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)o2)c1 35074283 PSDBZBUBINAXHL-MTJSOVHGSA-N 393.355 3.405 50 40 GGGB O=C(Cn1nc2ccccc2n1)N/N=C/c1ccccc1OCc1ccccc1 1066609 HHGCMRPJBQQRCO-OEAKJJBVSA-N 385.427 3.161 50 40 GGGB COc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccccc1 3572465 CKQJWGCZIZJTDW-DJKKODMXSA-N 378.226 3.039 50 40 GGGB COC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O 3644005 WWUOXZVDUOFXAK-ZRDIBKRKSA-N 381.775 3.220 50 40 GGGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 3085316 ONGJNZAPVRNSDA-KEBDBYFISA-N 380.231 3.481 50 40 GGGB Cc1ccc(C(=O)NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 665496 JAQBESKBYGSSAL-UHFFFAOYSA-N 389.463 3.281 50 40 GGGB CCS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1ccc(OC)cc1 59490223 RVMGSBJRMRTCEX-UHFFFAOYSA-N 395.525 3.068 50 40 GGGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 59101663 OWVKUHGLKQQWEG-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(C)oc2C)c(Br)c1 40140333 SWMKUARJSQNQIU-LBPRGKRZSA-N 395.253 3.196 50 40 GGGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc4c(c3)OCO4)o2)cc1 16184411 SAZIUHDPDTXQLD-JJFYIABZSA-N 392.367 3.226 50 40 GGGB O=C(NNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 2022286 OJCDNDVAJJIWRW-UHFFFAOYSA-N 398.054 3.286 50 40 GGGB N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 12546596 BEPDBSCNEPGNBE-RVDMUPIBSA-N 375.388 3.372 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Cl)c1O 409257625 SWFRUDSIYXKVFW-SRZZPIQSSA-N 389.839 3.096 50 40 GGGB Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc2ncccc2c1 408964539 DEUUYOJRUNLWQK-MOSHPQCFSA-N 386.455 3.408 50 40 GGGB C#CCn1c(C)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccccc21 409263534 HMZIZNDLVLJJOY-LPYMAVHISA-N 390.399 3.264 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(C)=O 1435612 TYSYAKUZJFSBBC-OEAKJJBVSA-N 376.412 3.467 50 40 GGGB CCOC(=O)C1=C(CBr)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 35326450 RDRVTDOCRNBMMU-CYBMUJFWSA-N 387.661 3.248 50 40 GGGB Cc1cccc(C(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)c1 886430 GABDFHPIADBTRI-UHFFFAOYSA-N 386.502 3.170 50 40 GGGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@H]1COc2cc3ccccc3cc2O1 725913 NGBLSQZOZWVJEI-GWJWUGQSSA-N 377.356 3.038 50 40 GGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N32)cc1 12275397 JMVIXPMDUYXWGT-UTKZUKDTSA-N 396.443 3.477 50 40 GGGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(OC)c1OC 1424077 FDNWXVKLORRMCC-VXLYETTFSA-N 393.237 3.239 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 107443955 ZCRCCIJSOQHTFU-RGTJRRPDSA-N 382.460 3.086 50 40 GGGB CCOc1ccc(N[C@@H](C)C(=O)N/N=C(/C)c2ccc(OC)cc2OC)cc1 4619239 QZBUTBWYYQQHAD-DZIKBWIISA-N 385.464 3.443 50 40 GGGB O=C(Cn1c(=O)cnc2ccccc21)NN(Cc1ccccc1)c1ccccc1 32255757 SWIHYZBDZJLBHN-UHFFFAOYSA-N 384.439 3.135 50 40 GGGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCCOC)c2C)c1 408964309 CTMSTHDMBWTOHX-XDHOZWIPSA-N 396.443 3.367 50 40 GGGB COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(OC)c1OC 33326561 ZSDLVVVXOZLIAJ-GRSHGNNSSA-N 393.237 3.239 50 40 GGGB CN1C(=O)c2cc(NS(=O)(=O)CBr)ccc2Oc2ccccc21 8961049 WQSSISJJTXRCEU-UHFFFAOYSA-N 397.250 3.163 50 40 GGGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)Cc2ccccc2)cc1 59515876 IJWPXCNPKZTFIK-UHFFFAOYSA-N 399.516 3.232 50 40 GGGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1C)c1c(O)cc(C)oc1=O 5535587 GIEFUFGVLQLXLC-FYJGNVAPSA-N 392.839 3.315 50 40 GGGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 7403183 SZOMTLAHPLYQOU-LLVKDONJSA-N 378.519 3.113 50 40 GGGB O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc2ccccc2n1 9613919 RKYSWNHSCFSSED-UHFFFAOYSA-N 389.333 3.094 50 40 GGGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)c1 408966586 MIQWTEOAHLZCPZ-ZVHZXABRSA-N 390.443 3.430 50 40 GGGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(F)cccc1Cl 408914144 VRXKGHJAUSFNMY-ORWNMUSCSA-N 391.830 3.287 50 40 GGGB CC(C)(C)c1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 32576933 FINAGJBNNRYORN-UQQQWYQISA-N 392.547 3.252 50 40 GGGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 36021914 RJJKCTJMSXRZLT-LNOXHEFASA-N 378.388 3.404 50 40 GGGB CC(C)(C)C(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@H]2C1 4457886 RLBHERGLZQZNOF-IRXDYDNUSA-N 391.500 3.046 50 40 GGGB CC1=NN2C(=NC(=O)[C@H]1Br)NC(c1ccccc1)=C2c1ccccc1 53685047 VWSIERCXHTVBMY-HNNXBMFYSA-N 395.260 3.453 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccc(F)cc1 16745514 XWZCKLABESYWPR-QUWSGOTNSA-N 395.459 3.306 50 40 GGGB Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)CCn1cnc2ccccc21 13896535 BMROLTSJKPAAGF-OYKKKHCWSA-N 386.459 3.379 50 40 GGGB C[C@]1(CBr)Cn2c(nc(=O)c3c2NCN(C2CCCCC2)C3)S1 4718131 BKTUBKDNZJQDAO-INIZCTEOSA-N 399.358 3.020 50 40 GGGB COCCOC(=O)/C(C#N)=C/c1cccn1-c1ccc(Br)cc1 408953474 WLIAQZWURBPZHR-ACCUITESSA-N 375.222 3.336 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1Br 409195359 HYODGCMXKSGBKJ-NGZBARDMSA-N 385.265 3.273 50 40 GGGB N#CC1=C(N)n2nc(C(F)(F)F)nc2N[C@@H]1c1c(Cl)cccc1Cl 4292528 MMBIBGNECHFLHJ-VIFPVBQESA-N 375.141 3.421 50 40 GGGB biogenic COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(SC)cc1 59444423 PBZMQRJKVHUGAC-VXLYETTFSA-N 377.853 3.159 50 40 GGGB C[C@H]1Oc2ccccc2C=C1/C=N/NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 2220603 IHYILPHHAORYDJ-KSBJSIDRSA-N 385.464 3.352 50 40 GGGB CCOC(=O)/C(=C\NCCCl)C(=O)c1cc(F)c(C)c([N+](=O)[O-])c1Cl 255187025 AUVDQEQPLCRJFZ-YFHOEESVSA-N 393.198 3.154 50 40 GGGB O=C(O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 1095976 PUQSXKDIVGVPEJ-DJKKODMXSA-N 378.837 3.046 50 40 GGGB O=C(N/N=C/c1cc(Br)ccc1O)c1cc([N+](=O)[O-])ccc1Cl 710822 UCNQWUNPQSYOBV-REZTVBANSA-N 398.600 3.480 50 40 GGGB Cc1ccnn1CC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 5756406 WSXSVMZJJGGZDZ-DJKKODMXSA-N 387.783 3.163 50 40 GGGB Cc1cccc(C(=O)Nc2ccccc2C(=O)NNC(=O)Cc2ccccc2)c1 16594991 PUCIORKCPIHCAQ-UHFFFAOYSA-N 387.439 3.251 50 40 GGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1O 3101214 DWOTVQCRBABADR-CNHKJKLMSA-N 384.175 3.136 50 40 GGGB O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444697 KMTFMZDIXPJNCC-OEAKJJBVSA-N 389.411 3.060 50 40 GGGB CCc1ccc(OCC(=O)NNC(=O)Cc2nc(-c3cccs3)oc2C)cc1 24748466 GKWOXZNEKUVUSR-UHFFFAOYSA-N 399.472 3.043 50 40 GGGB O=C(Cc1cccc(C(F)(F)F)c1)NNC(=S)NCCCc1ccccc1 408586355 NVSOYYHCTGDPKT-UHFFFAOYSA-N 395.450 3.376 50 40 GGGB CN1/C(=C\C=N\NC(=O)Cc2cn3ccsc3n2)C(C)(C)c2ccccc21 4863638 VTDOMQFBZFYMOI-PKWZWLFUSA-N 379.489 3.352 50 40 GGGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)NNC(=O)c1ccco1 409001636 JUQOWTHLPDWQQC-OUKQBFOZSA-N 375.384 3.006 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1O 6126996 MSBCYGPWXJNVJK-CIAFOILYSA-N 379.372 3.010 50 40 GGGB COc1cc(/C=N/NC(=O)COc2ccccc2C)cc(Br)c1O 2675484 LTNQVPJMCQZJCM-DJKKODMXSA-N 393.237 3.001 50 40 GGGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1cccc(C)c1 4179781 YUUSUBHJAVFOJI-FYJGNVAPSA-N 384.436 3.279 50 40 GGGB COc1ccc(C)cc1NC(=O)NNC(=O)COc1ccc2ccccc2c1 20357198 IGIPIIOFSLEOML-UHFFFAOYSA-N 379.416 3.389 50 40 GGGB Cc1ccc(OCc2ccc(C(=O)NNC(=S)NCC(C)C)o2)c(C)c1 2795366 AYSKJLJVSFITMT-UHFFFAOYSA-N 375.494 3.240 50 40 GGGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1O 36239652 XEVOWJVJLOXROO-GIJQJNRQSA-N 392.209 3.064 50 40 GGGB CC(=O)c1ccc(NC(=S)NNC(=O)CSCc2ccccc2C)cc1 6401635 OKJKEWAQYVSAAW-UHFFFAOYSA-N 387.530 3.449 50 40 GGGB O=C(CCl)N(c1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 217379540 FQIHIAIQSZAXCX-SECBINFHSA-N 390.210 3.118 50 40 GGGB O=C(N/N=C/c1cccc(O)c1O)c1cc(-c2ccccn2)nc2ccccc12 8645260 QFKZUNTVBJNLIT-ZMOGYAJESA-N 384.395 3.472 50 40 GGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N32)cc1 12275015 AFPIWUYFAAXWKC-DYESRHJHSA-N 396.443 3.477 50 40 GGGB COC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 14676085 FROCINJCNNABAB-QAEAHILHSA-N 382.416 3.114 50 40 GGGB COc1cccc2c(SCC(=O)N/N=C/c3ccc(O)c(O)c3)cc(C)nc12 871156 LSDJWAQYWLHDKR-UFFVCSGVSA-N 397.456 3.205 50 40 GGGB CCCCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21 12420082 SCRZXIKBBNILBC-HSZRJFAPSA-N 391.471 3.438 50 40 GGGB COC(=O)c1ccc([C@H]2C(C#N)=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1 2626402 XICHWZQJUCAYBZ-KRWDZBQOSA-N 392.806 3.063 50 40 GGGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1C 408926904 ZADMVKJLOXIQII-VGOFMYFVSA-N 397.387 3.475 50 40 GGGB Cc1ccc(Cn2nc(C)c(/C=N/NC(=O)c3ccc4c(c3)OCO4)c2C)cc1 3546625 NWNANPRJHSAGEO-FOKLQQMPSA-N 390.443 3.349 50 40 GGGB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1C1CCCCC1 4156967 BUNAMEKZEQPHFL-IWDIQUIJSA-N 393.119 3.241 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)c(OC)c1 5047322 WHKAYOHMTQWTAJ-LPYMAVHISA-N 393.399 3.313 50 40 GGGB CCOc1cc(/C=N/NC(=O)OC)ccc1OCCOc1cccc(OC)c1 4526005 QUPLEHZKMOGYBW-KGENOOAVSA-N 388.420 3.242 50 40 GGGB COc1ccc2nc(NC(=O)CCC(=O)N/N=C/c3ccc(C)cc3)sc2c1 5477713 CBRQLLINMDLNSZ-CIAFOILYSA-N 396.472 3.482 50 40 GGGB CC1(C)CC(=O)C2=C(C1)N(c1nc[nH]n1)C(N)=C(C#N)[C@H]2c1ccccc1Cl 5408206 OFVMIVSRDGWXHY-MRXNPFEDSA-N 394.866 3.399 50 40 GGGB Cc1ccc(/C=N\NC(=O)c2cc(Br)ccc2O)cc1[N+](=O)[O-] 408873024 LXRYVUFJUBNAGE-IUXPMGMMSA-N 378.182 3.135 50 40 GGGB Cc1c(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc(N)c1C#N 4853762 OXKQMUJQSDBBJE-NKVSQWTQSA-N 395.400 3.443 50 40 GGGB COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc1 59421981 SBGLGSOCKBDEDH-UHFFFAOYSA-N 389.411 3.022 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1O[C@H](C)C(=O)O 409014884 QDXAVIBWPRWTBH-KWZJRMENSA-N 380.400 3.401 50 40 GGGB O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 63354262 NSMVOLNTFMPBDH-VQTJNVASSA-N 377.419 3.408 50 40 GGGB CCOC(=O)c1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(OC)cc2)cc1 18056052 SFLCAUBGZLWFMX-QGOAFFKASA-N 386.429 3.123 50 40 GGGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSc3ncccn3)c2C)c1 5740578 CXDTUMZURAOSEW-FSJBWODESA-N 379.489 3.435 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1F 408973034 RMIAIYDYUNIIAX-WYMPLXKRSA-N 396.397 3.461 50 40 GGGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])s3)cc2)n1 6189210 ZTOXDQGVRMDEQZ-VXLYETTFSA-N 383.433 3.282 50 40 GGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)cc1 718576 YBEZARJWUFHHRO-MRXNPFEDSA-N 390.374 3.221 50 40 GGGB CCN1c2ccccc2C2=C([C@@H](c3cccc(C)c3)C(C#N)=C(N)O2)S1(=O)=O 20558417 QHZWRKONAAKFHI-SFHVURJKSA-N 393.468 3.341 50 40 GGGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc2c(c1Cl)OCO2 2587406 AXAOAMCPBFXOCZ-AWEZNQCLSA-N 394.770 3.393 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 59426173 VKAMDLPZFJFBNF-VCHYOVAHSA-N 391.225 3.187 50 40 GGGB O=[S@](OCCCCOO[S@@](=O)Cc1ccccc1)OCc1ccccc1 104337843 LLWCAMZYBRUNAO-UIOOFZCWSA-N 398.502 3.391 50 40 GGGB C[C@H](Oc1cccc2ccccc12)C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 17080529 OINBVGYTYAQWDU-ZDUSSCGKSA-N 394.387 3.368 50 40 GGGB O=C(NNc1cccc(C(F)(F)F)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 60553424 MXVNSEITGOMBGE-UHFFFAOYSA-N 383.282 3.142 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1O 408846718 RFNNPRCLQFZEBW-CIAFOILYSA-N 379.372 3.010 50 40 GGGB CCCN1C(=O)[C@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C)C[C@@H]32)c2ccccc21 13116597 TVMAWGLOBOWAHG-VRXSFPRUSA-N 397.482 3.437 50 40 GGGB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2nccnc12 15974808 GGEWGZBIMBHUCW-QHOZVMDTSA-N 385.468 3.019 50 40 GGGB Cc1cc(I)cc(C)c1OCC(=O)N/N=C/c1ccco1 880908 IQRWDISPMZOQHD-CAOOACKPSA-N 398.200 3.030 50 40 GGGB O=C(N/N=C(/CNC(=O)c1ccccc1Cl)c1ccccc1)c1cccnc1 18191638 VXBHGIGSGOTXCR-PLRJNAJWSA-N 392.846 3.299 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C/N2CCN(c3ccc(F)cc3)CC2)cc1 6670199 KCTPXQYKAFEXMT-FOCLMDBBSA-N 380.423 3.002 50 40 GGGB Cc1cc(C(=O)NNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c(C)o1 8735476 ZCPKFUZZNOGJAW-UHFFFAOYSA-N 396.422 3.175 50 40 GGGB C#CCOc1c(Br)cc(/C=N/NC(=O)OC(C)(C)C)cc1OC 408820542 WWHSIIZGNQSHED-VCHYOVAHSA-N 383.242 3.328 50 40 GGGB Cc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)cc1 19948104 RQRBYKQUHYTGIX-UHFFFAOYSA-N 385.489 3.237 50 40 GGGB Cc1cc(C)nc(C(=N\NC(N)=O)/C(O)=N/c2nc3ccc(C)cc3s2)c1 16957743 HOSHRYQTNMVWQA-HZHRSRAPSA-N 382.449 3.277 50 40 GGGB CC(C)=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 19950193 OWDHJBPDNPFDGS-UHFFFAOYSA-N 379.869 3.047 50 40 GGGB CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1cccc(N(C)C)c1 409097757 OKUDBXLTQSHIQF-MTJSOVHGSA-N 375.856 3.334 50 40 GGGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nc2sc(C)c(C)c2c(=O)[nH]1 7738594 HCLYMOAKSNGACC-ZVBGSRNCSA-N 393.472 3.084 50 40 GGGB N#C/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 7157072 XGJNCJYGOLGLEJ-IZZDOVSWSA-N 376.166 3.174 50 40 GGGB COc1ccc(/C=N/NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 3546857 DLQIYRCFEGBKPD-LSHDLFTRSA-N 376.338 3.214 50 40 GGGB C/C(=N\NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1ccc(Br)cc1 16712919 QPPGSCFFVJPZOO-HLNVMSFQSA-N 393.281 3.411 50 40 GGGB Cc1noc(C)c1CSc1ccccc1C(=O)NNC(=O)c1ccccc1O 12764183 UYVHDTNGEPWWIS-UHFFFAOYSA-N 397.456 3.364 50 40 GGGB O=C(NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cccs1 64680457 PLWZGZDETDPBBI-UHFFFAOYSA-N 398.406 3.276 50 40 GGGB Cc1c(C(=O)N/N=C/c2ccc(Br)cc2)sc2ncnc(N)c12 408974146 VUEJALYIYDHSDF-CGOBSMCZSA-N 390.266 3.108 50 40 GGGB O=C(COc1ccccc1)N/N=C/c1cc2ccc([N+](=O)[O-])cc2nc1Cl 408728829 UVWOYGRUDILBLF-KEBDBYFISA-N 384.779 3.326 50 40 GGGB CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccccc4Cl)[C@H]3[C@@H]1CC2 100213350 WHMVSIICGXGYPV-RCUQFMMVSA-N 375.863 3.226 50 40 GGGB COc1cc(Br)cc(/C=N/NC(=O)CNc2ccccc2C)c1O 975877 HLTBNZCYJIYNKP-AWQFTUOYSA-N 392.253 3.034 50 40 GGGB BrC[C@H](Br)O[C@H](Br)CBr 100190997 WKRKFUPTDMDLIR-ZXZARUISSA-N 389.707 3.235 50 40 GGGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cc2c(cc1Cl)OCO2 27829164 LAXVXRIUTUBCJI-FBCYGCLPSA-N 389.820 3.452 50 40 GGGB COc1cc(C(=O)NNC(=O)c2ccccc2OC)ccc1OCCC(C)C 12755272 SNTLDRNTZDQPIO-UHFFFAOYSA-N 386.448 3.204 50 40 GGGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 408846883 RPFIGRIHDWKOBS-LFIBNONCSA-N 399.450 3.342 50 40 GGGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC(C)=O)c1 408759341 CKLBMRAWXPLVID-VXLYETTFSA-N 391.221 3.147 50 40 GGGB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccc(Cl)cc1 6241365 IPHDQVYXLLHHHY-XCVCLJGOSA-N 394.283 3.342 50 40 GGGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)NCc2ccco2)c1C 58912154 DFZOXEBZVDUXPX-WYMPLXKRSA-N 392.459 3.070 50 40 GGGB Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3083965 RTPWMXJTUZUOHF-RGVLZGJSSA-N 388.811 3.426 50 40 GGGB CCOCCC1(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)CCC1 89986757 NYXDFKZVCVDQPG-UHFFFAOYSA-N 376.497 3.242 50 40 GGGB COCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc12 409197247 ZRPKHLBGYALZSV-KJCUYJGMSA-N 380.444 3.067 50 40 GGGB CC(C)N(Cc1ccccc1)C(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1 5297312 ISDBBQWDPJAQIH-MRXNPFEDSA-N 396.516 3.188 50 40 GGGB O=C(CNc1ccccc1)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 6392804 INONCDDHTSPQMW-SLEBQGDGSA-N 398.466 3.208 50 40 GGGB COc1ccc(CC(=O)NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 14200274 YKUBIKCVZMBICA-LBPRGKRZSA-N 378.881 3.219 50 40 GGGB COc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1Br 1214756 PITXXTKYRFIIEG-KEBDBYFISA-N 376.254 3.328 50 40 GGGB O=C(N/N=C1/C(O)=Nc2c(Cl)cc(Cl)cc21)[C@H]1COc2ccccc2O1 6454944 VETRXEGDAGFFAG-CYBMUJFWSA-N 392.198 3.255 50 40 GGGB CC(C)CCOc1ccc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 6507616 NKPLDSIMBRZOBD-OEAKJJBVSA-N 392.459 3.122 50 40 GGGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cccnc2)cc1 4743478 XVMHCAQFESNYFD-YDZHTSKRSA-N 375.384 3.123 50 40 GGGB Cc1nn(-c2ccccc2)c(O)c1/C(=N\NC(=O)c1ccco1)C(F)(F)F 408957798 WBBXPHBNWGQIKZ-KGENOOAVSA-N 378.310 3.176 50 40 GGGB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)c(C)c1 408607670 UFRGAVBWRMBOIB-KRWDZBQOSA-N 398.488 3.340 50 40 GGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC#N)cc1 16440137 KPJVDSXTZFYHGD-GHRIWEEISA-N 375.384 3.311 50 40 GGGB C[C@H]1Oc2cc(Br)c(/C=N/NC(=O)Cc3ccccc3)cc2O1 5530629 RRVPYAKMLCLMLA-VURRPDKYSA-N 375.222 3.259 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 40140382 DJMLRJFTXWGAGQ-ZJUUUORDSA-N 378.778 3.478 50 40 GGGB COc1cc(C(=O)Oc2ccc([N+](=O)[O-])c3cccnc23)cc(OC)c1OC 3195014 MPODLFQQDMMPLK-UHFFFAOYSA-N 384.344 3.388 50 40 GGGB Cc1c(-c2ccccc2)sc(NC(=O)CCl)c1C(=O)N1CCOCC1 8155941 ZZAHXZVBGVXCPI-UHFFFAOYSA-N 378.881 3.373 50 40 GGGB Cc1c(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(Cl)nn1-c1ccccc1 408892636 IRISBKBMHYFIDR-QPHXDFOYSA-N 396.834 3.124 50 40 GGGB CCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 6962041 XGQUNBAARZBEJD-ZMPUUUETSA-N 379.460 3.205 50 40 GGGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccc(O)cc2)cc1Cl 100813374 ZZUBNKXXUPYQTM-SRZZPIQSSA-N 375.812 3.189 50 40 GGGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 59515481 WGKFBMHNIRHDDH-WSDLNYQXSA-N 387.867 3.284 50 40 GGGB CCCC/C(C)=N/NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1 59443791 AJIKNSNNKIDMLC-CAPFRKAQSA-N 391.493 3.153 50 40 GGGB C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1cc(Cl)c2c(c1)OCCCO2 97124914 TVQIRKPQZUBZDA-FZMZJTMJSA-N 397.928 3.189 50 40 GGGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C 408588153 ICQAYPBOBNCKMN-WSDLNYQXSA-N 377.404 3.470 50 40 GGGB COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)c1 1078830 BKHLKIYNXVAVQE-LPYMAVHISA-N 393.399 3.313 50 40 GGGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccc(C(C)(C)C)cc1 5375427 GAUVRRBQELAEJK-LJQANCHMSA-N 384.432 3.105 50 40 GGGB Cc1cc(C)c(S(=O)(=O)N2CCN([C@H]3CCC[C@H](Cl)C3)CC2)c(C)c1 14186436 JBYIERLHIOIOEV-ROUUACIJSA-N 384.973 3.468 50 40 GGGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@H]2C1 4102790 YOLRNVSNNJRUDP-HOCLYGCPSA-N 384.270 3.349 50 40 GGGB CCOc1ccc([C@@H](CC(=O)O)CC(=O)N(CCCl)CCCl)cc1 2041425 XDSPRPXPWIUNRJ-CQSZACIVSA-N 376.280 3.340 50 40 GGGB Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)[nH]n1 4565521 VONBPFXZXNRPRE-SRZZPIQSSA-N 382.807 3.355 50 40 GGGB COc1cc(Br)cc2cc(C(=O)NNc3ccccc3)c(=O)oc12 16195898 RVKIVXBQBQMCLH-UHFFFAOYSA-N 389.205 3.321 50 40 GGGB Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)cc2O)c1 408998726 SAINWIGFMBSYFD-YDZHTSKRSA-N 389.411 3.422 50 40 GGGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1 33929367 BZPQYRINILFPFL-IUXPMGMMSA-N 388.430 3.153 50 40 GGGB C[N+](C)(CCBr)CCCCCC[N+](C)(C)CCBr 3388361 LITWKRHAVNQMOL-UHFFFAOYSA-N 388.232 3.489 50 40 GGGB N#C/C(C(=O)Cn1cc(C(F)(F)F)ccc1=O)=C1\Nc2ccccc2S1 102401934 OKPRYQZURPQUNM-WJDWOHSUSA-N 377.347 3.389 50 40 GGGB CCOc1ccccc1N(CC(=O)NN=C1CCCCCCC1)S(C)(=O)=O 20210454 YCDJMFUZAPXQQL-UHFFFAOYSA-N 395.525 3.068 50 40 GGGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CSc2ccc(Cl)cc2)c1C 12761339 IEVDIMDAGSYIOU-UHFFFAOYSA-N 379.869 3.041 50 40 GGGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2c(C)cccn2c1=O 2429870 NQGMLKNBIIFUDZ-SDNWHVSQSA-N 393.374 3.404 50 40 GGGB Cc1cccc(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1 7008160 NDCGGZBCZJOZIU-BUVRLJJBSA-N 396.454 3.461 50 40 GGGB CCc1c(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)csc1C 17079680 ZRMPTEDZFYNXCJ-RMHZUWNSSA-N 390.505 3.073 50 40 GGGB O=C(N/N=C/c1cc(Cc2ccccc2)cc([N+](=O)[O-])c1O)c1ccncc1 6252277 CADHLGCIITVCFU-LPYMAVHISA-N 376.372 3.050 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 4291950 DBADARPUFWRTFY-MDWZMJQESA-N 383.360 3.166 50 40 GGGB CC(/C=C\c1ccc2c(c1)OCO2)=N/NC(=O)c1cncc(Br)c1 4901660 YNVBKOWJWYYDBW-FJSDGOCASA-N 388.221 3.392 50 40 GGGB biogenic,in-vitro O=C(NNC(=O)OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl 1603415 VVDNZFHIZRVWOX-UHFFFAOYSA-N 382.842 3.094 50 40 GGGB C=CCNC(SCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)=C(C#N)C#N 6420503 LJMQFFJPWZHETK-LFPRZYRFSA-N 384.549 3.475 50 40 GGGB COC(=O)N/N=c1/cc(C(=O)Nc2ccc(C)c(C)c2)oc2cc(O)ccc12 104295415 KDJBJIXYCVWETL-JWGURIENSA-N 381.388 3.179 50 40 GGGB Cc1cccc(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c1 3127373 RGFPULHAQVQHMU-UFWORHAWSA-N 391.221 3.015 50 40 GGGB CC(C)c1ccc(N(CC(=O)NN=C2CCCCCC2)S(C)(=O)=O)cc1 20209087 DKLZSICXDOTHIV-UHFFFAOYSA-N 379.526 3.402 50 40 GGGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)OCCO1 4524179 PCEPDAMDHWLPIF-YBFXNURJSA-N 393.237 3.312 50 40 GGGB C=CCSC1=C(C#N)[C@H](c2cc(Br)c(O)c(OC)c2)CC(=O)N1 9087191 MEZWCJSURFLCQS-JTQLQIEISA-N 395.278 3.421 50 40 GGGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)NCCCc1ccccc1 409240474 KVQBHRWPMVYSGZ-FXBPSFAMSA-N 375.472 3.179 50 40 GGGB COc1cccc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c1OC(C)C 409009736 BQKRHCDIVQAQRL-XKZIYDEJSA-N 385.464 3.078 50 40 GGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CNC2CCCCC2)cc1OCC 409384270 CFUBDECGCHRUTE-YDZHTSKRSA-N 391.899 3.123 50 40 GGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccnc3)c2C)cc1 33881129 AXCYWIXWKWUUDI-FSJBWODESA-N 375.432 3.211 50 40 GGGB O=C(CCl)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 5674474 WQLFDYNKVMYKAH-UHFFFAOYSA-N 388.670 3.459 50 40 GGGB CCCCNC(=O)CCCCC(=O)N/N=C/c1cccc(Br)c1 6998915 BJWHAEZUTUZUFL-DEDYPNTBSA-N 382.302 3.376 50 40 GGGB O=C(N1CCN(c2ccc(Cl)cn2)CC1)[C@@]12CC[C@@H](C[C@H]1Br)C2 252517596 MHSGTMSVXJNQPU-DXCKQFNASA-N 398.732 3.337 50 40 GGGB COc1ccccc1/C=N/NC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 704810 JEZAMMVGHIZXRH-KEBDBYFISA-N 380.231 3.481 50 40 GGGB Cc1ccc(S(=O)(=O)NC(=O)O[C@@H](CCl)COc2ccccc2)cc1 16310217 MRHAVZUJTCFKAO-HNNXBMFYSA-N 383.853 3.096 50 40 GGGB CC(C)CNC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 6306816 KPLZEGMZZDBZAR-AWEZNQCLSA-N 377.897 3.184 50 40 GGGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)N(CC)CC)=C2C#N)cc1 6325204 UGXFLGZGUAMWBZ-MRXNPFEDSA-N 387.505 3.026 50 40 GGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)c(OC)c1 8566675 UVPJAPJKYNQZTG-HNNXBMFYSA-N 380.429 3.374 50 40 GGGB COC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c2ccccc21 821220 PTDDNPSQUQIRHY-GXDHUFHOSA-N 377.375 3.499 50 40 GGGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccnc3)cc2)c1 409004583 AOQMAFFIOQIHNU-ZMOGYAJESA-N 388.427 3.171 50 40 GGGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc1Cl 408777442 ZKTQJDYMQZUOAH-XGICHPGQSA-N 385.247 3.367 50 40 GGGB O=C(CCl)N[C@H](Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O 12376548 AHLXYBMYSMXNBD-GOSISDBHSA-N 386.835 3.098 50 40 GGGB biogenic,in-vitro CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(F)cccc3F)[C@@H]2C1 13479759 BEVXILBRDMBEOP-BEFAXECRSA-N 379.414 3.100 50 40 GGGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 2762754 OKESBGSLDRQLMG-FYJGNVAPSA-N 377.404 3.090 50 40 GGGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1C)c1ccc(C)cc1 17113204 IARLQXWWPWMSBV-QNGOZBTKSA-N 379.489 3.423 50 40 GGGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)C(=O)Nc1ccc(F)cc1 7572380 UJMZEULUTOGLEA-VAWYXSNFSA-N 399.378 3.088 50 40 GGGB Cc1c(NC(=O)NNC(=O)c2sc(=S)n(C)c2C)sc(=S)n1C 8722505 OLLRUJNBGSUGHW-UHFFFAOYSA-N 389.553 3.029 50 40 GGGB CCc1ccc(C(=O)NNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 6929311 OSIQFZZQCDQLIT-UHFFFAOYSA-N 391.427 3.478 50 40 GGGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1O[C@H](C)C(=O)O 409011492 NNUOSDPQSCRADH-UORWWSPDSA-N 382.372 3.057 50 40 GGGB COc1cccc(/C=N\NC(=O)c2cc3ccccc3o2)c1O[C@@H](C)C(=O)O 409231439 KGPRBAYJKPPTDO-WLQYJRLHSA-N 382.372 3.057 50 40 GGGB COc1cc(OC)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(OC)c1 408963050 LXGHTGWSFZKIFS-LSHDLFTRSA-N 382.338 3.495 50 40 GGGB COc1ccc(OC)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1 408952551 OGIGSYZPGHXION-BOPFTXTBSA-N 375.428 3.451 50 40 GGGB COc1cc(C(=O)N/N=C/c2cccs2)ccc1I 32180700 WJIKKDLXUXYASQ-OVCLIPMQSA-N 386.214 3.125 50 40 GGGB CC(=O)OCc1cc(/C=N/N(C(C)=O)c2ccccc2)nn1-c1ccccc1 4336308 OCJHHFFKPBBMOO-HYARGMPZSA-N 376.416 3.322 50 40 GGGB CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Cl)cc4)[C@@H]3[C@H]1CC2 4102639 VQFVQSKBUXDLQC-VLQPXKRTSA-N 375.863 3.226 50 40 GGGB CCn1c(NNC(=O)Cc2c(C)[nH]c3ccc(F)cc23)nc2ccccc2c1=O 24907506 JEAPVUYNBGIVII-UHFFFAOYSA-N 393.422 3.031 50 40 GGGB O=C1Nc2c(Br)cc(Cl)cc2/C1=N/NC(=O)C1CCCCC1 6413872 FFFCMWIKJURYFW-UHFFFAOYSA-N 384.661 3.455 50 40 GGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(O)c(Br)c1 45926650 PAKJRCXYNBHQID-QGMBQPNBSA-N 383.629 3.337 50 40 GGGB CC(C)(C)OC(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)CCl 137987877 ORQSDTZFNINPNZ-OAHLLOKOSA-N 398.887 3.394 50 40 GGGB COc1ccc(CCN2C(=O)C=C3CCC[C@H](Br)[C@@]32OC)cc1 226086978 WIJUQHDWHSDZJJ-WMZOPIPTSA-N 380.282 3.296 50 40 GGGB biogenic O=C(N/N=C/c1ccc(O)cc1O)[C@@H]1Oc2ccccc2O[C@@H]1c1ccccc1 95532865 MIGUEPYMUYUVKI-XNTMEURJSA-N 390.395 3.129 50 40 GGGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2ccccn2c1=O 2423912 KKPXVXJUJNPMKM-NTCAYCPXSA-N 375.384 3.265 50 40 GGGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC)cc1 4205634 PLRZOBPRGREMIX-FOWTUZBSSA-N 388.427 3.011 50 40 GGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl 4476337 ZVJOXRHGUOMIHC-QGZVFWFLSA-N 398.850 3.479 50 40 GGGB aggregator CC1=NN(c2ccccc2)C(=O)/C1=C\N(NC(=O)Cc1ccccc1)C(C)C 408722902 HPIWGZOVYBUAGI-HKWRFOASSA-N 376.460 3.277 50 40 GGGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408795235 BSJJGMUFDAFTPZ-SFQUDFHCSA-N 390.395 3.039 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 6182160 HWXGNRFYWQMVKC-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB CCCCCCC(=O)NN/C=C1/C(=O)N(CCCCCC)C(=S)N=C1O 16956951 VZRYNZVFWSOBSJ-BUHFOSPRSA-N 382.530 3.125 50 40 GGGB O=NN(CCCl)C(=O)Nc1ccc(NC(=O)N(CCCl)N=O)cc1 4896760 PCLGVSQVYVGFSH-UHFFFAOYSA-N 377.188 3.195 50 40 GGGB Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 102622780 FZXKEKPUTZRFRZ-AZWAVXBRSA-N 384.657 3.158 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](OC)c1ccccc1 59371314 DAWWVJCMXDWFKN-ZVCOJXFSSA-N 377.238 3.296 50 40 GGGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c2ccccc21 408813845 FRBRAGMKIULPIW-UVTDQMKNSA-N 377.375 3.499 50 40 GGGB COc1cc(/C=N\NC(=O)Nc2ccc(C)c(C)c2)ccc1O[C@H](C)C(=O)O 409016684 VKEJNOQDCXNRNW-WHJAWBAWSA-N 385.420 3.320 50 40 GGGB CCOC(=O)c1c(CSSCc2n[nH]c(C)c2C(=O)OCC)n[nH]c1C 4579494 NGSOXPJBZMKINO-UHFFFAOYSA-N 398.510 3.185 50 40 GGGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(Br)o1 14595811 FUWDOMOFHOWVCA-UHFFFAOYSA-N 381.270 3.410 50 40 GGGB Cc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(C)n1-c1ccccc1 408590655 QDIWWOOCDSAVGI-WYMPLXKRSA-N 390.443 3.385 50 40 GGGB C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)c1cccs1 9514450 WWXSPTHNGXZPST-CQSZACIVSA-N 394.452 3.208 50 40 GGGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OC 409323469 OGMYTUBBHGQCCO-HAHDFKILSA-N 396.443 3.269 50 40 GGGB N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)N1CCN(c2ccccc2)CC1 408860487 WSOOPJPCPZWLTJ-VLGSPTGOSA-N 376.460 3.136 50 40 GGGB CCc1c(C(=O)NNC(=O)c2cn(C)c3ccccc23)cnn1-c1ccccc1 30600375 WXRRLHVUPFNUTK-UHFFFAOYSA-N 387.443 3.001 50 40 GGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1 1472141 AYFPTLMYMFAUTE-NRFANRHFSA-N 399.450 3.432 50 40 GGGB biogenic CC(C)N1CC=C2[C@@H](C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 33936199 QRXQVBGVCNDBEU-VQIMIIECSA-N 377.879 3.474 50 40 GGGB C[Si](C)(C)O[Si](C)(CCCO[C@@H]1CCS(=O)(=O)C1)O[Si](C)(C)C 223561665 ZPHKQMDILPHBJF-CQSZACIVSA-N 398.746 3.355 50 40 GGGB CCOc1ccc(C(=O)NNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 17269818 JRTMLAOYRQZNAZ-UHFFFAOYSA-N 381.476 3.146 50 40 GGGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N1 988556 QOFDWWSQZKRKGL-GOSISDBHSA-N 386.473 3.242 50 40 GGGB CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC)c(OCC(N)=O)c2)c1C 13070558 YIBQVQOXVKZODS-LICLKQGHSA-N 395.459 3.178 50 40 GGGB CCOc1ccc(NC(=S)NNC(=O)c2ccc(Br)cc2)cc1 13496915 NHNQKBSZVZWLFT-UHFFFAOYSA-N 394.294 3.479 50 40 GGGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1O)c1nnc(NC(=O)c2ccccc2)s1 4478132 QJERPDFCDVUIGZ-MDWZMJQESA-N 393.384 3.468 50 40 GGGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)cc1 408742893 QJPWBOYGXORIED-YDZHTSKRSA-N 376.416 3.040 50 40 GGGB COc1ccccc1OCC(=O)N/N=C(\C)c1cccc(Br)c1 5164329 GKFAFKCNRPOHAT-XDHOZWIPSA-N 377.238 3.377 50 40 GGGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Br)c(Cl)c1 16693880 AYYBPOWETJFBMO-XFFZJAGNSA-N 380.629 3.237 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)CNc1ccccc1C 1052600 BUSWUHQUHOTQHM-KEBDBYFISA-N 376.254 3.328 50 40 GGGB Cc1cc(/C=N\NC(=O)CC(=O)NC2CCCCC2)c(C)n1-c1ccccc1 408822157 BNEDZRYEGQMPNA-HAHDFKILSA-N 380.492 3.383 50 40 GGGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CNC2CCCCC2)o1 409385739 IJZMMXISEDQXOH-YDZHTSKRSA-N 383.448 3.106 50 40 GGGB N#C/C(=C\c1cc(Cl)c(OCC(N)=O)c(Cl)c1)C(=O)Nc1ccccc1 409219342 LKGSHKGEDHTABW-WUXMJOGZSA-N 390.226 3.403 50 40 GGGB CCOC(=O)[C@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1 1652298 KKPNLRXPWMWDBR-NXEZZACHSA-N 381.020 3.357 50 40 GGGB Cc1ccc(C(C)C)cc1OCC(=O)N/N=C1\C(=O)N(C)c2c(C)cccc21 5520559 MBTGOVKOHRZLAJ-GFMRDNFCSA-N 379.460 3.303 50 40 GGGB C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccccc1Br 10280440 HSHBBFZDECOASQ-NSHDSACASA-N 394.244 3.222 50 40 GGGB Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccc(Cl)cc1 8664657 OGXLKUDEYFXHQC-UHFFFAOYSA-N 392.640 3.497 50 40 GGGB CC(=O)c1c(NNC(=O)CNc2ccc(Cl)c(Cl)c2)oc(C)cc1=O 4619300 UBHPZXBYGZJWCM-UHFFFAOYSA-N 384.219 3.013 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(OC)ccc1OC)c1ccccc1 408981552 VRNQPVUWVUYSAN-SDLXJUDFSA-N 399.447 3.031 50 40 GGGB COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(O)c(O)c3O)sc2c1 4965176 QAONIBFSMPCWFU-FBCYGCLPSA-N 392.820 3.444 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(OC)ccc1OC)c1ccccc1 408981550 VRNQPVUWVUYSAN-OVBDPADQSA-N 399.447 3.031 50 40 GGGB Cc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1ccccn1 409230736 FXHWJTMWNFILGL-OYKKKHCWSA-N 391.475 3.084 50 40 GGGB COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCC(=O)OC(C)C 408603628 SCEBWZZHAFXJMZ-MTJSOVHGSA-N 385.420 3.181 50 40 GGGB C/C(=N\NC(=O)CN1CCCCC1)c1ccc(NC(=O)c2ccccc2)cc1 408719407 DOIHLPFWMREOEE-JJIBRWJFSA-N 378.476 3.265 50 40 GGGB C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 1085444 PJGBEWMSSAJVGH-VDCVXVNISA-N 392.209 3.275 50 40 GGGB O=[S@@](Cc1ccccc1)OOCCCCO[S@](=O)OCc1ccccc1 104337840 LLWCAMZYBRUNAO-IZZNHLLZSA-N 398.502 3.391 50 40 GGGB CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N1)c1ccccc1S2(=O)=O 988589 PLXXNSDFMFNDRE-KRWDZBQOSA-N 379.397 3.235 50 40 GGGB CC1(CC(=O)N/N=C/c2ccc(O)c(Br)c2)SCCS1 6590524 HLNNTWZBIQPPDS-OVCLIPMQSA-N 375.313 3.191 50 40 GGGB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)N2C(=N1)SC(C#N)=C2N 408606142 ORCTYIOTTZIEIA-KRWDZBQOSA-N 398.488 3.423 50 40 GGGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(C(N)=O)cc1 409229835 AFZLQZUGPRNULZ-MXAYSNPKSA-N 392.434 3.025 50 40 GGGB C[C@@H](OCCCNC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccccc1 32795535 NEBMTXSTZXLPTA-OAHLLOKOSA-N 380.448 3.280 50 40 GGGB O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1cc2c(s1)CCC2 7379740 OGYBBXPCPVSNOC-UHFFFAOYSA-N 391.301 3.167 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)cc1 7918628 FEPQEUUZUKOSPP-FOKLQQMPSA-N 398.850 3.107 50 40 GGGB CCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 59474734 JMTPAEXZKJWCNN-OOXYOOLHSA-N 385.851 3.242 50 40 GGGB CCOc1ccc2[nH]c(C(=O)N/N=C/c3ccc(OC)c(OC)c3OC)cc2c1 2332672 BXMWQZWSAJBLTR-WSDLNYQXSA-N 397.431 3.356 50 40 GGGB Cc1cc(C)n2nc(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)nc2n1 8621996 SWCZYSYXOZVVEQ-VBKFSLOCSA-N 394.485 3.355 50 40 GGGB COC(=O)[C@H]1C(=O)NC(SCCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1 409148791 RTNMZDDMBDXKSU-RBUKOAKNSA-N 392.480 3.400 50 40 GGGB COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc(OC)c1O 19720155 NIFWVNIMJQLVFF-SSDVNMTOSA-N 386.448 3.370 50 40 GGGB O=C(CSc1nc2ccccc2s1)N/N=C\c1cccc([N+](=O)[O-])c1O 35406208 MWTJEGZANCFWSO-IUXPMGMMSA-N 388.430 3.153 50 40 GGGB CCc1ccc(OCc2ccc(C(=O)N/N=C/c3c(C)nn(C)c3F)o2)cc1 252497734 QOPNQAMHHYSKFC-SSDVNMTOSA-N 384.411 3.366 50 40 GGGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 11613915 NDYYHRSVNAMVJK-VXLYETTFSA-N 380.316 3.126 50 40 GGGB Cc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 3088973 DRKXOVHCJSSBIF-GIJQJNRQSA-N 388.405 3.195 50 40 GGGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cc(O)c(O)c(O)c1 695754 FDXVECHDYOYVRS-WSDLNYQXSA-N 378.384 3.146 50 40 GGGB O=C(N1CCN(c2ccc(Cl)cn2)CC1)[C@@]12CC[C@H](C[C@@H]1Br)C2 101779261 MHSGTMSVXJNQPU-HACGYAERSA-N 398.732 3.337 50 40 GGGB CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1cccc(Cl)c1Cl 408907465 ORYILDHGMBTOOU-UHFFFAOYSA-N 392.308 3.196 50 40 GGGB CC(C)=NNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 4600178 XRPHUFUSIUNGJT-UHFFFAOYSA-N 387.505 3.319 50 40 GGGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccccc1NC(=O)c1ccccc1 408996010 GLIQLFQNWBKPDA-FOCLMDBBSA-N 385.423 3.413 50 40 GGGB CCc1ccccc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccccc1 408777161 VYRBIDIKBMYAJY-UHFFFAOYSA-N 399.516 3.491 50 40 GGGB O=C(NNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccc(Cl)cc1 48384207 ZHBZOLDASVAEAG-UHFFFAOYSA-N 383.791 3.260 50 40 GGGB COc1ccccc1CN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21 46085048 MFJJDTGVBPHRDV-RWEWTDSWSA-N 399.450 3.305 50 40 GGGB C/C(=N\NC(=O)COc1ccc(C)cc1Br)c1ccc(O)cc1O 672707 PZSYXVNYPWPGBR-YBFXNURJSA-N 393.237 3.088 50 40 GGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2O)cc1 1439240 CJZXWDWULNPUJG-OEAKJJBVSA-N 389.411 3.417 50 40 GGGB Cc1cc(C)cc(OCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2O)c1 57476850 JPWSKBHBRQBUQK-UUYOSTAYSA-N 378.432 3.032 50 40 GGGB C/C(=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1cc(O)ccc1O 13134254 HTXHTAZMHYHSCM-DENHBWNVSA-N 389.626 3.189 50 40 GGGB CC(=O)N[C@H](CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 5787622 YYDHQAZNLFNXNL-ZTLYHTANSA-N 397.519 3.008 50 40 GGGB O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@@H]1C2)c1ccc(C(=O)N/N=C/[C@@H]2C[C@@H]3C=C[C@@H]2C3)o1 226351221 AFAUUXNDJLKADH-ODWWVQLESA-N 392.459 3.135 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(Br)c2)c(OC)c1 6230133 LUBHSSFKUWVQOH-VXLYETTFSA-N 393.237 3.239 50 40 GGGB CN1c2ccccc2C2=C([C@@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)S1(=O)=O 20558293 YXQVUAPCMGWIEV-INIZCTEOSA-N 399.859 3.296 50 40 GGGB CCOc1ccc(C(=O)N/N=C\c2c[nH]nc2-c2ccc(OC)c(OC)c2)cc1 32565544 GJLWFDSGXPHHCE-QRVIBDJDSA-N 394.431 3.257 50 40 GGGB CCCCCN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2)c2ccccc21 102434418 BBVSHMXDLXTGTC-FLFQWRMESA-N 379.460 3.431 50 40 GGGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@H]2CN(c3ccccc3)CC=C12 103401227 NQFIDFODDCAWRJ-LEWJYISDSA-N 378.439 3.012 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 59447397 WGMADPCPBNTIRB-VXLYETTFSA-N 377.784 3.419 50 40 GGGB C=CCN1C(=O)/C(=N\NC(=O)c2c(-c3ccccc3)noc2C)c2ccccc21 18192980 FUVQKGZRLDWDME-ATJXCDBQSA-N 386.411 3.317 50 40 GGGB COc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1 409205263 GUZYGIMNUDQFPI-SAPNQHFASA-N 378.428 3.339 50 40 GGGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C 408591586 UZABPQZSZOGYGY-WSDLNYQXSA-N 393.403 3.170 50 40 GGGB C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 32467461 PADNOIQJYWSNMF-GFCCVEGCSA-N 385.807 3.224 50 40 GGGB COc1ccc2cc([C@@H](C)C(=O)NNC(=O)Cc3ccc(F)cc3)ccc2c1 14244415 CHOYKKIAHBFMJK-CQSZACIVSA-N 380.419 3.481 50 40 GGGB COc1cc(C=NNC(N)=O)cc(Cl)c1OCCOc1cccc(C)c1 4207682 XPLUMKJOGDSRJD-UHFFFAOYSA-N 377.828 3.117 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)c(C)n1-c1ccc(Cl)cc1 58912495 XPGUDZGJXLPEKJ-LPYMAVHISA-N 386.883 3.210 50 40 GGGB CCCCOc1ccc(/C=C/C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1OCC 103056679 BKRHQJWMUZLEDI-SWSLMZJYSA-N 386.448 3.146 50 40 GGGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(CN2CCOCC2)cc1 408776262 XOIZHMUEDPVGFI-BUVRLJJBSA-N 389.455 3.142 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2C)cc1 409070612 CSRUSKQOWZBSHS-JXAWBTAJSA-N 377.444 3.386 50 40 GGGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(C)cc1 1433727 ZXRMICCSOIGIKU-VXLYETTFSA-N 377.238 3.295 50 40 GGGB O=C(CBr)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 3149879 CPEUMIDTLFFKKC-UHFFFAOYSA-N 376.206 3.022 50 40 GGGB COc1ccc(C(=O)N/N=C(\C)CC(=O)N[C@H](C)c2ccccc2)cc1OC 4904483 LLSHWRHOKPNFMN-QKIXXSFTSA-N 383.448 3.077 50 40 GGGB COc1ccc(Br)cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 107750110 WSMXPLWHYXEJFQ-ZDLGFXPLSA-N 392.209 3.059 50 40 GGGB I[C@@H]1[C@H]2[C@H]3C[C@@H]1[C@H]1C[C@H]3[C@@H](I)[C@@H]21 105027375 KYMLEMSCKGSBAT-ZILUDIJQSA-N 386.014 3.125 50 40 GGGB CCCC[C@@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccccc1Br 2300996 ZIZFFZTXGHFPIE-VXGBXAGGSA-N 399.285 3.127 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1ccccc1F 408973470 SOVMEDBNDCWMHI-YDZHTSKRSA-N 378.407 3.322 50 40 GGGB COc1cc(/C=N\NC(=O)c2ccco2)ccc1OCc1cccc(C(=O)O)c1 408859074 VVYUQLOYUZRYNQ-UUYOSTAYSA-N 394.383 3.329 50 40 GGGB Cc1sc2nc(CC(=O)N/N=C/c3ccc([C@@H]4C[C@H]4C)o3)[nH]c(=O)c2c1C 7119173 AQKFVFRBNBIFJQ-ZKVSINDASA-N 384.461 3.011 50 40 GGGB COc1cc(C(=O)N/N=C/c2ccccc2F)ccc1I 408747640 QSZNNJSSKVVTIL-GIJQJNRQSA-N 398.175 3.203 50 40 GGGB CCn1ncc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C(F)(F)F 253408378 XSOBFTQRAPCSFL-CYBMUJFWSA-N 380.370 3.373 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1ccc(Br)cc1 2656068 NTHWZOSSXRTXTJ-UHFFFAOYSA-N 397.656 3.115 50 40 GGGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(CC)c32)ccc1OC(F)F 706796 QMSKUWLFGGWXAI-CQSZACIVSA-N 376.363 3.190 50 40 GGGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(O)cc1 918996 NOQCMPYBHALIDI-QGMBQPNBSA-N 383.629 3.337 50 40 GGGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)o2)c1 409143727 IJCABBMYUFAOJW-BTVXTAIASA-N 392.411 3.307 50 40 GGGB O=C(N/N=C/c1ccccc1O)C1CCN(C(=O)c2ccccc2Cl)CC1 409007525 XKRWERMFWBGMBK-LPYMAVHISA-N 385.851 3.048 50 40 GGGB CC/C(=N\NC(=O)c1ccncc1)c1ccc(I)cc1 17005176 KLIPAAGRGJJNHS-NBVRZTHBSA-N 379.201 3.230 50 40 GGGB C=CCOc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)nc(C)n2CC 32779817 OHNQEHPNLIHBHN-UHFFFAOYSA-N 378.432 3.004 50 40 GGGB O=C(NNC(=O)c1ccc(Br)s1)Nc1ccc(F)cc1F 6936976 VRXPTODJIZRZLL-UHFFFAOYSA-N 376.182 3.255 50 40 GGGB COc1cc(OC)c(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1Cl 409366363 UPSRVGCGMSPLRM-NHDPSOOVSA-N 392.839 3.067 50 40 GGGB Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)[C@@H]1Cc3ccc(C)cc3S1)C2 40158858 KWKNEEMOKHMCRG-ROUUACIJSA-N 384.526 3.185 50 40 GGGB Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)NNc1nc3ccccc3cc1C)C2 1633038429 CAJFWXYGFRVMJX-QFIPXVFZSA-N 375.428 3.467 50 40 GGGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)c2)n1 6189269 FRSLCOHVHNHYHE-SSDVNMTOSA-N 376.416 3.041 50 40 GGGB COc1cccc(OCC(=O)N/N=C(\C)CC(=O)Nc2cc(C)cc(C)c2)c1 5379028 RXUKAQSVTNCWPG-XQNSMLJCSA-N 383.448 3.212 50 40 GGGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N32)c1 12275362 RWJBCAFYGJFPLY-DYESRHJHSA-N 396.443 3.477 50 40 GGGB Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 632396 SWKOLWVPRVZJOP-HSZRJFAPSA-N 397.438 3.122 50 40 GGGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 408718962 CQSMKXMRJFPNAW-CIAFOILYSA-N 393.355 3.405 50 40 GGGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(I)cc1 409232435 HTHZUBZJPDGZET-ZDLGFXPLSA-N 382.176 3.123 50 40 GGGB CC(C)N1C(=O)/C(=N\NC(=O)c2ccccc2Br)c2ccccc21 6201666 SWTGLCGWLNKGOC-SILNSSARSA-N 386.249 3.338 50 40 GGGB CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(F)cc2)c2ccccc21 5246600 LREBYHBWSJHRGZ-HNENSFHCSA-N 390.418 3.167 50 40 GGGB CC(=O)Oc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1 408752641 FRODHPRLVLFFFC-VXLYETTFSA-N 385.470 3.464 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(C)cc1 33745543 IWIKOSUHIBIBDP-HGBKYHTQSA-N 395.459 3.306 50 40 GGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 36206858 MEZJKYKJEDAPPD-CNHKJKLMSA-N 384.175 3.136 50 40 GGGB COc1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3N)o2)c([N+](=O)[O-])c1 408718769 HEQBOKFFGJTOJH-NHDPSOOVSA-N 380.360 3.210 50 40 GGGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c1O 5871967 VGWDBLCQCCOJNP-DJKKODMXSA-N 377.784 3.425 50 40 GGGB CC(C)[C@H](Br)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 20133520 PEQBOAOLJBFTPZ-AWEZNQCLSA-N 398.326 3.491 50 40 GGGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O 806451 PVWVRFMCOFIPPS-IBGZPJMESA-N 396.443 3.461 50 40 GGGB CCN(CC)Cc1ccccc1CNC(=O)NNC(=O)c1c[nH]c2ccccc12 32795555 FSTQQZYTDFVIMV-UHFFFAOYSA-N 393.491 3.154 50 40 GGGB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 632393 SWKOLWVPRVZJOP-QHCPKHFHSA-N 397.438 3.122 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1O 4081798 TZPFNUCBSOKAFK-NBVRZTHBSA-N 377.444 3.047 50 40 GGGB COC(=O)N/N=C/c1cc(Cl)ccc1OCCOc1cccc(OC)c1 4525998 APSKDHWNLQSYBM-UDWIEESQSA-N 378.812 3.496 50 40 GGGB COc1cccc(OCCCOc2ccc(Cl)cc2/C=N/NC(N)=O)c1 4550360 DHNWDDHIJRYIFI-CIAFOILYSA-N 377.828 3.199 50 40 GGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 4647447 JWXJHSPYWPRQLP-SFHVURJKSA-N 395.371 3.500 50 40 GGGB COC(=O)[C@@H]1C(=O)NC(SCCc2ccccc2)=C(C#N)[C@H]1c1ccccc1 409148789 RTNMZDDMBDXKSU-MOPGFXCFSA-N 392.480 3.400 50 40 GGGB COc1cccc(-n2c(C)cc(C(=O)NNC(=O)c3ccccc3F)c2C)c1 40069557 YKBJSNAECRMLNM-UHFFFAOYSA-N 381.407 3.317 50 40 GGGB Cc1scc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1-c1ccccc1 17081489 GAEZUJFCWZUVDB-NONVJHHQSA-N 398.484 3.231 50 40 GGGB CCOc1cccc(-c2cc(C(=O)N/N=C(/C)c3ccc(O)c(OC)c3)[nH]n2)c1 4994968 PEBDQNRWKQAOHD-XKZIYDEJSA-N 394.431 3.344 50 40 GGGB O=C(NNC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1cc(-c2ccccc2)on1 27263339 SKTCMGAZVDCSHX-CQSZACIVSA-N 397.818 3.007 50 40 GGGB CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccccc1 2363649 SKGUBLVZNFGRAV-KOXKPCSVSA-N 377.469 3.167 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(O)c1 5494557 HWIQWWXTTPGKBY-FOKLQQMPSA-N 381.354 3.372 50 40 GGGB O=C1Nc2c(Br)cccc2/C1=N/NC(=O)c1ccc(Cl)cc1 5450542 XTKQMDINKCHPSX-UHFFFAOYSA-N 378.613 3.189 50 40 GGGB Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(c3ccc(F)cc3)CC2)cc1C 5489483 WRMGGFOUAAYLLW-RCCKNPSSSA-N 399.491 3.403 50 40 GGGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)c1 408599180 PRLBBPUKYFCDSF-RGVLZGJSSA-N 379.328 3.317 50 40 GGGB Cc1nn(-c2ccccc2)c2c1[C@H](c1cc([N+](=O)[O-])ccc1O)C(C#N)=C(N)O2 35183038 QBROHSWCCSHTGU-GOSISDBHSA-N 389.371 3.013 50 40 GGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccco3)cc2)cc1 83319684 GIQSBGQUUAWBMO-LPYMAVHISA-N 377.400 3.369 50 40 GGGB O=C(N/N=C/c1cc(O)ccc1Br)c1cncc(Br)c1 3156101 AQGZPBWXZSCCHU-UBKPWBPPSA-N 399.042 3.076 50 40 GGGB O=C(NNC(=O)[C@@H]1CCOC1)c1ccc(CSc2ccc(Cl)cc2)cc1 69315407 BGYIJKGGMNSVMO-OAHLLOKOSA-N 390.892 3.430 50 40 GGGB CN1C(=C(C#N)C(=O)COc2ccc3ccc(=O)oc3c2)N(C)c2ccccc21 12538569 XKGVVEQXHFPHAO-UHFFFAOYSA-N 387.395 3.062 50 40 GGGB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1cccs1 1784537 GFIHWVQIZPNUSR-ZVBGSRNCSA-N 394.481 3.337 50 40 GGGB Cc1cccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c1 409157829 WNZQCKRZYSBBRX-WSDLNYQXSA-N 378.384 3.482 50 40 GGGB O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(C(=O)c2ccccc2)cc1 14231769 LBBTUSGABDELMN-UHFFFAOYSA-N 376.387 3.060 50 40 GGGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 5490294 BUTRPPXUBDXAQX-LPYMAVHISA-N 386.415 3.040 50 40 GGGB C/C(=N\NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Cl)c(Cl)c1 6509581 ATQLEVAAHFHQIS-AWQFTUOYSA-N 375.215 3.384 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)c2ccc(I)cc2)cc1 408711848 NILVSRBDYCIYHQ-WOJGMQOQSA-N 394.212 3.454 50 40 GGGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccccc1 408972217 NSFMTYYKYOTPLK-IXOWOOARSA-N 381.476 3.055 50 40 GGGB COc1ccc([N+](=O)[O-])cc1CN(CCBr)CCBr 95832253 NROLUUHJEUCRPI-UHFFFAOYSA-N 396.079 3.195 50 40 GGGB Cc1nc(NS(=O)(=O)c2ccccc2)sc1NC(=O)OCCCl 16265876 SPJWMXHPSPXTDY-UHFFFAOYSA-N 375.859 3.040 50 40 GGGB Cc1nn(-c2ccccc2)c(O)c1/C(=N\NC(=O)c1ccncc1)c1ccccc1 12346499 HQLSYFJFIVUWJD-DAFNUICNSA-N 397.438 3.464 50 40 GGGB CCOC(=O)Cn1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c2ccccc21 106066749 XZPDPWNNEDERAU-XKRALOOCSA-N 381.476 3.481 50 40 GGGB COC(=O)c1cc(OC(=O)CCl)c2n1CCc1nc3ccccc3c(C#N)c1-2 35615839 DNFGNXGDPXZMDY-UHFFFAOYSA-N 395.802 3.062 50 40 GGGB COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC 13007335 YKLBJVDYILGNPI-UHFFFAOYSA-N 383.231 3.014 50 40 GGGB COc1ccc2nc(/C=N/NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc2c1 5025620 FAXBZXUXCWXEDI-ZFJBLLOBSA-N 398.463 3.093 50 40 GGGB CC(C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 408798122 UOEVMPSHSOXFNE-NNIWKIFQSA-N 391.471 3.374 50 40 GGGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccccc1Br)OCO2 409085750 DBCHJUJLOLPWGJ-OCKHKDLRSA-N 391.221 3.340 50 40 GGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1 408590786 QLMQVNPHECXMNX-LZYBPNLTSA-N 393.153 3.029 50 40 GGGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408729845 JWOBWFFJXDBSEB-KEBDBYFISA-N 382.247 3.036 50 40 GGGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 408953309 PQTMYWGLQLYTAD-DHDCSXOGSA-N 376.372 3.048 50 40 GGGB CCn1c(C)cc(/C=N/NC(=O)COc2ccc(Br)cc2)c1C 409070372 FTYYBPUFWVBHTD-VXLYETTFSA-N 378.270 3.416 50 40 GGGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 13954287 BZTWKYCJAIHRDZ-XQNSMLJCSA-N 389.411 3.371 50 40 GGGB CCOC(=O)[C@@H](Br)[C@H](Br)c1cccc([N+](=O)[O-])c1 1602080 DPSIHSJLCLCPHI-ZJUUUORDSA-N 381.020 3.357 50 40 GGGB COc1ccc([C@H](CC(=O)O)CC(=O)N(CCCl)CCCl)cc1C 1873914 DPZQQDQHMXJEGX-AWEZNQCLSA-N 376.280 3.258 50 40 GGGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC[C@@H]3C)=C2C#N)cc1 6455726 JSMIFKBBRADWNR-YOEHRIQHSA-N 399.516 3.168 50 40 GGGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1O 108986084 UIFIPOLQWDAHHD-GRSHGNNSSA-N 377.784 3.045 50 40 GGGB Cc1ccccc1C(=O)NC1=N/C(=C(/C#N)C(=O)NC2CCCC2)c2ccccc21 5271970 JAFKIZSJWITPLD-MRCUWXFGSA-N 398.466 3.479 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)c1ccco1 4544138 OFLQVOZWODUOGJ-LPYMAVHISA-N 394.383 3.280 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)c2cncc(Br)c2)c(OC)c1 14920052 PEOJRDDRYJJFRH-VXLYETTFSA-N 378.226 3.015 50 40 GGGB N#C/C(=C\c1ccccc1OCC(N)=O)C(=O)Nc1cccc(C(F)(F)F)c1 409220093 UEHGLHWDDCZKIF-MDWZMJQESA-N 389.333 3.115 50 40 GGGB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1OC 5095387 MSNDGOKNKXXUOE-KRWDZBQOSA-N 390.399 3.018 50 40 GGGB COc1cc2c(cc1Br)N(CC(=O)O)CC=C2CBr 504309262 CXYIXHCNXMYSMM-UHFFFAOYSA-N 391.059 3.141 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Br 7784979 IKIOSSZXSQXHAM-YBFXNURJSA-N 375.222 3.483 50 40 GGGB O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(C(=O)N/N=C/[C@@H]2C[C@@H]3C=C[C@H]2C3)o1 104106879 AFAUUXNDJLKADH-LSHUTFQJSA-N 392.459 3.135 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccoc2C)ccc1OCCN1CCCCC1 654985 IJZWDFSAHQAGEK-PXLXIMEGSA-N 385.464 3.225 50 40 GGGB COc1cc(N(CCCl)CCCl)ccc1/C=N\NC(=O)c1cccnc1 104076921 BCDGHWXBKFEHFN-XKZIYDEJSA-N 395.290 3.138 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1I 4655615 LKSYWHLVTWHDAD-AWEZNQCLSA-N 392.196 3.106 50 40 GGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)c(OC)c1 4699054 PELUHERIOACNDC-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB CCOc1cc(C(=O)NNC(=O)c2ccc(C)cc2)cc(OCC)c1OCC 9253094 TVOGBUKLNCYTQG-UHFFFAOYSA-N 386.448 3.266 50 40 GGGB O=C(O)c1ccc(COc2ccccc2/C=N\NC(=O)c2ccccc2O)cc1 408962691 ZZRSRVGHPLROEW-QRVIBDJDSA-N 390.395 3.433 50 40 GGGB COc1ccc(-c2cs/c(=N\C(=S)NC(=O)CCCCl)[nH]2)cc1OC 17016838 LMSAXVLUVIQFAQ-UHFFFAOYSA-N 399.925 3.081 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2ccccn2c1=O 2430980 LRYIORFRWASVNA-DTQAZKPQSA-N 386.411 3.004 50 40 GGGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)cc1 6322375 YEZFZXAVBWTJCF-KEBDBYFISA-N 395.327 3.023 50 40 GGGB CCOc1ccc(N[C@H](C)C(=O)N/N=C(/C)c2ccc(OC)cc2OC)cc1 4619241 QZBUTBWYYQQHAD-JNCAFBRLSA-N 385.464 3.443 50 40 GGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNC3CCCCC3)o2)cc1 409375647 NMLWLGCNGXAKDO-ZVHZXABRSA-N 397.475 3.496 50 40 GGGB COc1cc(C)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408547999 BPXJHNDMROAKSB-KEBDBYFISA-N 383.360 3.431 50 40 GGGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(Cl)cc1 36174645 JRTPBGJXAAABKJ-REZTVBANSA-N 398.600 3.480 50 40 GGGB COc1ccc(/C=C(\C#N)c2c(C#N)c(N)nc(N3CCCCC3)c2C#N)cc1 20268305 JUXNDZIPTJSQRZ-LFIBNONCSA-N 384.443 3.470 50 40 GGGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(OC(C)C)cc1 8563189 JGJGSGPTJMDJGY-UHFFFAOYSA-N 376.840 3.276 50 40 GGGB COc1cc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc(OC)c1OC 716742 PSMKMTDKCSEPNI-HNAYVOBHSA-N 390.443 3.306 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccc2c(c1)OCO2 1068176 VSPFYBONMBDSLE-MRXNPFEDSA-N 376.347 3.163 50 40 GGGB Cc1cccc(N2CCN(C(=O)NNC(=O)c3ccc(Cl)cc3)CC2)c1C 8394902 ZRWVEPRGOIBBAC-UHFFFAOYSA-N 386.883 3.133 50 40 GGGB COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 5006538 NZNVKRVGMZEHPX-UKTHLTGXSA-N 388.807 3.358 50 40 GGGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408612245 URYHXKBWBKEFCT-YDZHTSKRSA-N 387.867 3.285 50 40 GGGB Cc1ccc(OCC(=O)N/N=C\c2c(C)n(C)c3ccccc23)c([N+](=O)[O-])c1 4956315 MSAIPSIELQVLQK-NHDPSOOVSA-N 380.404 3.232 50 40 GGGB C/C(=N\NC(=O)c1cc(Br)c[nH]1)c1ccc2c(c1)OCCCO2 7863425 MGVZDRVXYOJDNU-VXLYETTFSA-N 378.226 3.093 50 40 GGGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(Br)cc1 408565808 ARUVYPJJKWVVIN-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB O=C(N[C@@H](CBr)C(=O)OCc1ccccc1)OCc1ccccc1 196140615 UQNPTPOOAIURSU-INIZCTEOSA-N 392.249 3.420 50 40 GGGB C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)C(C)(C)c1ccccc1 32904525 YFNLFCOERXTQPM-ZDUSSCGKSA-N 382.489 3.222 50 40 GGGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1ccccc1)C(C#N)=C(N)O2 2235618 BKFFJUIGQVIUPZ-OAQYLSRUSA-N 399.450 3.432 50 40 GGGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(N)=O)cc1 4205336 GRVATCWUHPXQBO-WYMLVPIESA-N 388.427 3.177 50 40 GGGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 409249246 MYTNWDKRPZMSIN-KGENOOAVSA-N 382.420 3.358 50 40 GGGB CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cc(Cl)ccc1C 408707616 KZEKZUCOUXOIPU-ZVBGSRNCSA-N 379.247 3.242 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OC)cc1C)c1ccccc1 408977063 CQVAQSOYUFSGHV-KWJZBXMYSA-N 383.448 3.331 50 40 GGGB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NNC(=O)c1ccc(Cl)cc1 6506014 ASNYGUZNNDFBOD-KRXBUXKQSA-N 380.187 3.376 50 40 GGGB C#CCn1c(C)c(/C=N/NC(=O)c2ccc(OC)cc2OC)c2ccccc21 107926589 VCKHKTLJWOJHJM-OEAKJJBVSA-N 375.428 3.364 50 40 GGGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(N2CCOCC2)o1 408996585 QEXICBNIBUXPJQ-DZUMZMOTSA-N 393.896 3.401 50 40 GGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(O)c(OC)c2)cc1 7164936 LHZVTAYUHDWCEH-OQLLNIDSSA-N 396.399 3.132 50 40 GGGB COc1cccc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1437771 GXALWWKJCIWFGE-KEBDBYFISA-N 380.231 3.481 50 40 GGGB Cc1ccc2c(c1)/C(=N/NC(=O)COc1ccc(C(C)C)cc1C)C(=O)N2C 17730015 NHSBJBONQKJWPY-FLFQWRMESA-N 379.460 3.303 50 40 GGGB C/C(=N/NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Br)s1 4951937 VAKFNEACBNPBRL-CHROMADKSA-N 381.251 3.191 50 40 GGGB CCn1c(SCC(=O)N/N=C/c2ccccc2O)nnc1-c1ccc(C)cc1 1474355 NYNSYAZNPDLWPA-CIAFOILYSA-N 395.488 3.221 50 40 GGGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)cc2c1OCO2 5130143 MNMPWITYZHFOAG-INIZCTEOSA-N 388.383 3.032 50 40 GGGB biogenic,in-vitro CCn1c(C)nc2cc(C(=O)NNC(=O)CCc3c[nH]c4ccccc34)ccc21 5701863 PYDBCZWFOVSXSU-UHFFFAOYSA-N 389.459 3.240 50 40 GGGB CCOC(=O)COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC 409212081 ORXCBPXEYIJXHL-NHDPSOOVSA-N 390.823 3.054 50 40 GGGB CCOC(=O)Cn1cc(/C=N/NC(=O)CNc2ccc(C)cc2)c2ccccc21 408526528 CJNCLWPBPISXGH-WYMPLXKRSA-N 392.459 3.075 50 40 GGGB Cc1cc(C)c(OCC(=O)N/N=C\c2cccc(O)c2)c(Br)c1 30902121 OPRVXYKHGHYIGL-OCKHKDLRSA-N 377.238 3.301 50 40 GGGB CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)CBr)cc1 40163754 BWURUNXAXWHZTR-UHFFFAOYSA-N 382.279 3.085 50 40 GGGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc2c(c1)NC(=O)CO2 8113742 MMUDRXFSQVLFDH-HMPFENIPSA-N 383.473 3.358 50 40 GGGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 59434272 AEHTWHYNWWQCIQ-LSFURLLWSA-N 399.756 3.456 50 40 GGGB O=C(/C=C/c1ccco1)Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 1083353 MJGMWTOZKGUXPV-YDSSHMCMSA-N 390.395 3.082 50 40 GGGB CN1/C(=C(/C#N)C(=O)COC(=O)COc2ccccc2F)Sc2ccccc21 12585634 SVJMKVUIKULOIX-DEDYPNTBSA-N 398.415 3.294 50 40 GGGB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)c1 5185847 BRYPJYROOSSSCS-QGZVFWFLSA-N 390.399 3.018 50 40 GGGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccn2)cc1 409009034 BGAMEESYMCFXHH-ZVHZXABRSA-N 388.427 3.171 50 40 GGGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OC 409312296 FLWWAIWFVNSZGP-HMAPJEAMSA-N 384.432 3.431 50 40 GGGB N#C/C(C(=O)Nc1ccccc1)=C1/N=C(NC(=O)c2ccco2)c2ccccc21 5323380 BEAPCBVJOWICSQ-ZPHPHTNESA-N 382.379 3.343 50 40 GGGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1cccc(Cl)c1 5576038 NNQKAPKTBMBJOY-SRZZPIQSSA-N 384.823 3.069 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 58884750 GPSHXQJZCDJZDI-HYARGMPZSA-N 375.384 3.273 50 40 GGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N32)cc1 12275399 JMVIXPMDUYXWGT-DYESRHJHSA-N 396.443 3.477 50 40 GGGB CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 108207623 STEDVSKDFKUCIF-JAIQZWGSSA-N 391.811 3.348 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccco3)c2C)c(C)c1 58912135 NXEHAGRXHLXPRY-WYMPLXKRSA-N 392.459 3.070 50 40 GGGB COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc(Br)c1O 1092372 IUDQSAZQQQETMC-JJLFXSABSA-N 393.237 3.001 50 40 GGGB C/C(=N\NC(=O)c1ccc(I)cc1)c1ccc(O)cc1 408711605 BICXDGYIPMSKHX-LICLKQGHSA-N 380.185 3.151 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 408978764 JXVFOHLVHNLLNH-RSZPVBOMSA-N 398.419 3.231 50 40 GGGB CC/C(=N\NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(OCC(N)=O)cc1 4651646 CQKRXMVKNCYFQO-LKUDQCMESA-N 397.519 3.388 50 40 GGGB COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br 33586693 QPJCIQGAKBEQSK-ZDLGFXPLSA-N 392.209 3.059 50 40 GGGB O=C(N[C@](Cl)(C(=O)O)[C@@H](Cl)c1ccccc1)c1ccc([N+](=O)[O-])cc1 32634089 YTECIHNLSXXYNS-BBRMVZONSA-N 383.187 3.324 50 40 GGGB CCNc1ccc(C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 20929975 NOAHGALEMVELHA-CIAFOILYSA-N 386.408 3.198 50 40 GGGB COc1cc(OC)cc(C(=O)NNC(=O)CCSc2ccc(Cl)cc2)c1 2651586 DICUYKZKHVVLEK-UHFFFAOYSA-N 394.880 3.301 50 40 GGGB CCc1cccc(CC)c1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 102538760 POETUIVMDRQDPW-QKEJGYSESA-N 392.293 3.321 50 40 GGGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 58883498 BAQPKJRBMYIEND-OEAKJJBVSA-N 395.459 3.250 50 40 GGGB O=C(O)c1ccc(Cn2cc(/C=N\NC(=O)c3ccco3)c3ccccc32)o1 107554632 POPATXFCPRMFTG-FBHDLOMBSA-N 377.356 3.338 50 40 GGGB N#Cc1ccc(OCC(=O)NNC(=O)C2c3ccccc3Oc3ccccc32)cc1 3265288 AOROLCIGRAVHDQ-UHFFFAOYSA-N 399.406 3.022 50 40 GGGB CN(N/C(=C/C#N)NC(=O)NC(C)(C)C)c1ncc(C(F)(F)F)cc1Cl 5292858 SEHRNVBCFYOWMH-VZUCSPMQSA-N 390.797 3.157 50 40 GGGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 4878008 HVNTZFLYOYUDPD-STZFKDTASA-N 395.488 3.123 50 40 GGGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(=O)OC 408852681 VNUBWSAUQJKBTQ-UUYOSTAYSA-N 396.399 3.147 50 40 GGGB N#C/C(=C/c1cccc(OCC(N)=O)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409219865 VVWBEWRAXBBFHX-QPEQYQDCSA-N 389.333 3.115 50 40 GGGB O=C(NNc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 40050419 PMRVIUBJJRMCBZ-LLVKDONJSA-N 392.228 3.084 50 40 GGGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)OCO2 1058846 UZQVNUQKFRFJTB-KEBDBYFISA-N 379.328 3.347 50 40 GGGB O=C(/C=C/c1ccccc1)ON=C1C=CC(=NNC(=O)c2ccccc2O)C=C1 6343934 YKRYVPVAZMEKPV-LRQDJKAXSA-N 387.395 3.217 50 40 GGGB COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cn2)cc1 100548330 SZYIYYCKGQJATC-WSDLNYQXSA-N 390.827 3.375 50 40 GGGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 23382620 RITRUOGBNQAGFQ-LZNAANCOSA-N 394.427 3.031 50 40 GGGB O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)c1cc(Br)c[nH]1 24123017 DUGOINZPSAWIDV-UHFFFAOYSA-N 398.260 3.448 50 40 GGGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccnc2)/C(=C\c2cccnc2)C1 13042860 ZJCHLIOEUWOQSJ-QASIAFKYSA-N 385.471 3.346 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(OC)c1 8560172 XVMZFHMCTWGSKG-LPYMAVHISA-N 383.448 3.452 50 40 GGGB COC(=O)COc1ccccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 408963429 NXSXTACXYOMSAW-LSHDLFTRSA-N 380.322 3.021 50 40 GGGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)N2CCCC2)cc1OC 409369114 CUIVGCRQIOROIA-MDWZMJQESA-N 379.254 3.386 50 40 GGGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(Cl)c3)CC2=O)cc1 409254293 YSEJTYPMTDORKE-OOXYOOLHSA-N 385.851 3.242 50 40 GGGB Cc1occc1C(=O)NNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 16514760 DKQSLJUDSZXURO-UHFFFAOYSA-N 380.360 3.315 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6286981 GFMKEAQGGPDJQZ-KEBDBYFISA-N 379.247 3.148 50 40 GGGB C=C(C)C(=O)OCC(CBr)(CBr)COC(=O)C(=C)C 2571935 NYRXLHONORZJFT-UHFFFAOYSA-N 398.091 3.001 50 40 GGGB CC[C@@]1(C)Cc2ccccc2-c2nc(NNC(=O)Cc3ccccc3)[nH]c(=O)c21 26895592 QXWQRFHNUQUVQC-QHCPKHFHSA-N 388.471 3.347 50 40 GGGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 2229232 SBQVYEPLVKXTBW-OAQYLSRUSA-N 399.450 3.432 50 40 GGGB Cc1cc(O)nc(Sc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)o2)n1 409108211 SJLMMYXSWOSIJK-XNTDXEJSSA-N 392.440 3.458 50 40 GGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(C)nn(-c2ccccc2)c1Cl 4476339 ZVJOXRHGUOMIHC-KRWDZBQOSA-N 398.850 3.479 50 40 GGGB aggregator COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 408750036 WPJMQZPREAZICQ-DJKKODMXSA-N 393.237 3.244 50 40 GGGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCC#N 408904038 CRZFPDNLPLLDIV-NHDPSOOVSA-N 394.343 3.016 50 40 GGGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1O 3088188 FYMZXFHYPXQTFR-CNHKJKLMSA-N 384.175 3.380 50 40 GGGB COc1ccc(/C=N\NC(=O)Cc2cccn2C)cc1OCc1ccccc1 32576891 WHNUSCWBQONKGH-HAHDFKILSA-N 377.444 3.306 50 40 GGGB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)NN(c2ccccc2)c2ccccc2)C1=O 2647312 XQAKZBNFMOQDIX-JOCHJYFZSA-N 394.475 3.213 50 40 GGGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 668650 RPFAJQSJNWKNPA-HFITWMCCSA-N 384.436 3.359 50 40 GGGB C/C(=N\NC(=O)COc1ccc(C)cc1Br)c1ccccc1O 18107139 YNMHPDNNMMGWME-XDHOZWIPSA-N 377.238 3.382 50 40 GGGB CC(C)(/C=N/NC(=O)CSc1ccc2ccccc2n1)CN1CCCCC1=O 6995519 OQEUENBRVOJYAE-HYARGMPZSA-N 398.532 3.468 50 40 GGGB N#C/C(=C/c1ccc(N2CCCCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408858594 QNPCVJANAKOXMJ-XJSVKZRRSA-N 386.459 3.478 50 40 GGGB Cc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1Br 409364636 OGCKINCLKRPRDR-JAIQZWGSSA-N 389.249 3.222 50 40 GGGB CCNC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 408609004 IXYWODVSUQCSJD-LSHDLFTRSA-N 394.258 3.159 50 40 GGGB CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc1 3209835 GNAXDJRAPOEESG-HAVVHWLPSA-N 380.492 3.133 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccco1 4815574 CNONXWLKINPPNO-LPYMAVHISA-N 394.383 3.367 50 40 GGGB CCCCN1C(=O)/C(=C/Nc2cccnc2Cl)C(=O)N(CCCCl)C1=O 84715568 BWNZYKLGFGQTCO-QXMHVHEDSA-N 399.278 3.251 50 40 GGGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)o1 408735599 UWICYTSDSVPZNC-IDKBZEPQSA-N 381.388 3.365 50 40 GGGB CSCC[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/C=C/c1ccccc1 4154764 AVYYSFXNKLAZJZ-KUVDOWMWSA-N 381.501 3.354 50 40 GGGB C[C@]12C[C@@H](O)[C@H](Br)C[C@]1(C)C2(Br)Br 104291111 UNNVKMAHOLSSIG-NGJRWZKOSA-N 376.914 3.417 50 40 GGGB Cc1sc2ncn(CC(=O)N/N=C/c3cccc4ccccc34)c(=O)c2c1C 1784086 NVIZZRAFQMPWKN-AUEPDCJTSA-N 390.468 3.378 50 40 GGGB N#CC(C(=O)COC(=O)c1nc(Cl)ccc1Cl)=C1Nc2ccccc2N1 3291868 WXSRHHQZHZSTKJ-UHFFFAOYSA-N 389.198 3.387 50 40 GGGB CCCC(=O)NN(C(=O)Nc1ccccc1)c1nc(C(=O)OCC)cs1 3768075 IYVTUANEMSLMHE-UHFFFAOYSA-N 376.438 3.190 50 40 GGGB C[C@@]1(CBr)Cn2c(nc(=O)c3c2NCN(C2CCCCC2)C3)S1 4718132 BKTUBKDNZJQDAO-MRXNPFEDSA-N 399.358 3.020 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 1888699 NFZSVSDKYLWYLD-IMGOXIFKSA-N 399.422 3.137 50 40 GGGB Cc1ccccc1C(=O)NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40144686 BPSVPQZBSQPINY-UHFFFAOYSA-N 396.397 3.022 50 40 GGGB Cc1ccc(C)n1-c1ccsc1C(=O)NNC(=O)C(Cl)(Cl)Cl 1590929 ZXZXHHJSUWRGAJ-UHFFFAOYSA-N 380.684 3.287 50 40 GGGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 100182317 HERSTKAHKKQYRA-XQLNYOLYSA-N 396.241 3.339 50 40 GGGB CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@@H]1c1ccccc1 2269253 WTOSMKBQDAJCJK-SFHVURJKSA-N 376.412 3.477 50 40 GGGB O=C(CSc1ccc(F)cc1)NNC(=O)c1ccccc1Br 7006936 CDUXGYTXOVNOGO-UHFFFAOYSA-N 383.242 3.142 50 40 GGGB CC1=C/C(=N/NC(=O)c2ccc(N)cc2)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O 605822549 PHUJBSRMPCDVNE-OZIZTILFSA-N 397.475 3.049 50 40 GGGB COc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)c1 885053 GJNJHDVQMQUESG-DJKKODMXSA-N 387.237 3.178 50 40 GGGB COc1cccc(C(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c1 169878610 VRAIZXVAZPOZJI-VXLYETTFSA-N 393.237 3.239 50 40 GGGB Cc1ccc(/C=N/NC(=O)[C@@]2(C)CC2(Br)Br)s1 2752880 LKBCJTOWSBLPAB-UAYPQDMZSA-N 380.105 3.403 50 40 GGGB O=C(CBr)C1(Br)CCN(Cc2ccccc2)CC1 1564048 WYHLMDQVZKQOSL-UHFFFAOYSA-N 375.104 3.380 50 40 GGGB Cn1cc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1=O 855470 GCEQTPVULLSFBX-FSJBWODESA-N 383.492 3.450 50 40 GGGB COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 1083266 HZIULHQNUKYCRE-LFVJCYFKSA-N 390.439 3.090 50 40 GGGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 2223709 QQSQKVJDFONINS-HNNXBMFYSA-N 386.249 3.157 50 40 GGGB Cc1n[nH]c2c1[C@H](c1ccc(COc3ccccc3[N+](=O)[O-])o1)C(C#N)=C(N)O2 17080339 DRZXQJAGXHIBQY-KRWDZBQOSA-N 393.359 3.017 50 40 GGGB CC(C)N1CC=C2[C@@H](C1)[C@H](c1ccccc1Cl)C(N)=C(C#N)C2(C#N)C#N 5633188 ZEGQZSZKEBETKS-BEFAXECRSA-N 377.879 3.474 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c2C)cc1Cl 408971018 FWGMXFNPDGINMQ-SSDVNMTOSA-N 388.899 3.421 50 40 GGGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccc(C)cc1OC 409108681 YLUAGTZKZAUXFO-OEAKJJBVSA-N 397.475 3.385 50 40 GGGB COc1ccc(CC(=O)N/N=C\c2ccc(N3CCCCC3)cc2OC)cc1 409237891 KFBYUNSUBYDRBZ-KQWNVCNZSA-N 381.476 3.387 50 40 GGGB O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 5273412 OWTMNGFXUHDFHA-UHFFFAOYSA-N 383.411 3.009 50 40 GGGB O=C(NNC(=O)c1cc(F)c(F)cc1Cl)c1cc(-c2ccccc2)n[nH]1 9915607 XYGWBGOQMKWUMM-UHFFFAOYSA-N 376.750 3.083 50 40 GGGB CCOc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)ccc1O 104052530 SJXHFYKQWCKZPD-FSJBWODESA-N 389.411 3.055 50 40 GGGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 13021477 JBZMQFHHSCDIJM-JTQLQIEISA-N 378.215 3.094 50 40 GGGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1sc2nc(C)nc(C)c2c1C 98054394 BFBZDWMAVMWGQH-SSDVNMTOSA-N 382.445 3.499 50 40 GGGB N#C/C(=C/c1c(OCc2ccccc2C#N)ccc2ccccc12)C(=O)NC(N)=O 409227548 PVTZKHNWHOPYSN-WQRHYEAKSA-N 396.406 3.392 50 40 GGGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1C 408994157 GPQGRJULUOULDU-FYJGNVAPSA-N 384.436 3.279 50 40 GGGB COc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OC 1083341 KQPVUYWTXDOQJQ-LFVJCYFKSA-N 390.439 3.090 50 40 GGGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccc(Cl)cc1Cl 5375456 KURYBGHGEIRAHH-INIZCTEOSA-N 397.214 3.114 50 40 GGGB CO[C@H]([C@@H](O)c1ccc2c(c1)OCO2)P(=O)(c1ccccc1)c1ccccc1 1613365 KDRQDHKZFXFOJE-VXKWHMMOSA-N 396.379 3.435 50 40 GGGB C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)c1 59433918 KAVISDYQEVRMEJ-CIAFOILYSA-N 387.823 3.002 50 40 GGGB CCCC[C@H](C[C@@H](O)COCC(C)C)C(=O)NNC(=S)Nc1ccccc1 8691028 CJRFZUOUSOMGQN-SJLPKXTDSA-N 395.569 3.234 50 40 GGGB O=C(N/N=C/c1cccc(O)c1)C1CCN(C(=O)c2ccccc2Cl)CC1 409007199 VFSFQBWKIUIEMX-LPYMAVHISA-N 385.851 3.048 50 40 GGGB COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1O[C@@H](C)C(=O)O 409233982 VDKAZHKAEWAYRD-WQEJZQBCSA-N 392.411 3.464 50 40 GGGB C/C(CC(=O)Nc1ccc(F)cc1F)=N\NC(=O)c1ccc([N+](=O)[O-])cc1 15133488 RDZIGEMZRPEXRL-UFFVCSGVSA-N 376.319 3.008 50 40 GGGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2OCC)[C@@H](C#N)C(O)=N1 875434 LZOWUCRAMRNJNQ-CXAGYDPISA-N 385.445 3.310 50 40 GGGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 704320 CXDFORFAILDJBA-KRWDZBQOSA-N 391.383 3.377 50 40 GGGB O=C(NNC(=O)c1ccc(OC(F)F)cc1)c1ccc(Br)cc1 1958251 YFXIUSVRNDYCEO-UHFFFAOYSA-N 385.164 3.125 50 40 GGGB O=C(NNc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 58158789 WOTOIVOVUWLLSA-LLVKDONJSA-N 392.228 3.084 50 40 GGGB C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1cccs1 4646940 CYYVELRLNFHGGU-FBWGLTFQSA-N 380.105 3.484 50 40 GGGB CCOc1ccc2ccccc2c1/C=N\NC(=O)CNC(=O)c1ccccc1F 15985226 YYKWBTLNIQOOHI-MXAYSNPKSA-N 393.418 3.258 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(OC(F)(F)F)cc1 3402163 FDLVMTSALNHXQM-UHFFFAOYSA-N 388.729 3.322 50 40 GGGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1)NC1CCCCC1 58883048 BWPVPTFVOISWGD-OYKKKHCWSA-N 397.450 3.417 50 40 GGGB CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)C2CCCCC2)cc1 8326216 XQHNDUKWOJKWRS-CQSZACIVSA-N 391.537 3.181 50 40 GGGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 2312571 NQDUQBKKXDZQPU-AWEZNQCLSA-N 389.433 3.010 50 40 GGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccco2)cc1 6331612 XROLKIYBONOAEO-UDWIEESQSA-N 378.344 3.204 50 40 GGGB COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1OC 643756 NMWKXTVRWVZUGE-IBGZPJMESA-N 388.427 3.416 50 40 GGGB COc1ccc(C(=O)CSC2=C(C#N)C3(CCCC3)[C@@H](C#N)C(=O)N2)cc1 2051442 NTFRCJHDEJTWRU-HNNXBMFYSA-N 381.457 3.176 50 40 GGGB Cc1cc(OCc2ccc(C(=O)NNC(=O)[C@@H]3CCCO3)cc2)ccc1Cl 12815566 JQMXKMJFEOGORD-SFHVURJKSA-N 388.851 3.167 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1 408787731 FLCSUKCIAGFBKU-MDWZMJQESA-N 386.791 3.358 50 40 GGGB Cn1cc(C(=O)NNS(=O)(=O)c2cccc(Cl)c2Cl)c2ccccc21 7907398 BHERAFHHOAWJEX-UHFFFAOYSA-N 398.271 3.108 50 40 GGGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(C)(=O)=O 19954788 PEIACMSYIAZHEH-FYJGNVAPSA-N 387.505 3.035 50 40 GGGB CCOc1ccc(Oc2c(/C=N\NC(N)=O)c(C)nn2-c2ccccc2)cc1 12486604 IOMLSGKUHRCIIK-XKZIYDEJSA-N 379.420 3.374 50 40 GGGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)COc2ccccc2)c2ccccc21 408528755 IEBVXMAIJNWTPD-YDZHTSKRSA-N 393.443 3.042 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 4682503 XGINJHWUSJNDDR-XIKOKIGWSA-N 377.356 3.396 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 409261991 GPYOZKXMRMGCJE-OHHQFBAHSA-N 383.423 3.118 50 40 GGGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc2c(c1)OCC(C)(C)CO2 225370822 YGCPTYPXAAPUGU-SSDVNMTOSA-N 378.432 3.204 50 40 GGGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 3025019 BGZBNMMYYVKVKB-UFWORHAWSA-N 398.202 3.439 50 40 GGGB N#C/C(=C/N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccccc1 15412047 CNZLLCXPRXDFTA-CYVLTUHYSA-N 387.892 3.301 50 40 GGGB CC(C)NC(=O)CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 3112717 UOKAWTJNLZOTGQ-WSDLNYQXSA-N 387.867 3.284 50 40 GGGB O=C(CCCC[C@H]1CCSS1)N1CCc2nc3ccccn3c(=O)c2C1 575610023 OLSBMSVERAHJAW-AWEZNQCLSA-N 389.546 3.293 50 40 GGGB O=C(CCCC[C@@H]1CCSS1)NCCn1cnc2ccsc2c1=O 575610005 JAZWJYDONOJZLP-GFCCVEGCSA-N 383.564 3.288 50 40 GGGB Cc1ccc(NC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)cc1Cl 8474785 NXCCJOCNSXHYLU-WSZWITRCSA-N 384.657 3.158 50 40 GGGB C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)C[C@@H](C)c1ccccc1 8984303 KLYBXCSOJMEAMU-ZIAGYGMSSA-N 382.489 3.438 50 40 GGGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cccc(Cl)c1Cl 408973943 QZTBXMGEUVVQRX-GTQIFZCBSA-N 390.270 3.460 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1O 36201108 FMCNQJXKDUZACG-DNTJNYDQSA-N 383.282 3.092 50 40 GGGB COc1ccc(/C=N\NC(=O)c2ccccc2I)cc1 32290484 FZRMCUWGOPCJDN-YVLHZVERSA-N 380.185 3.064 50 40 GGGB COc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 1051058 MOERLWAIJPQGMH-NDENLUEZSA-N 379.376 3.148 50 40 GGGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@@H]1c1cc(Cl)ccc1Cl 5568036 IFVNCEFCBVJNLK-NRUUGDAUSA-N 377.153 3.265 50 40 GGGB COc1cc(C(=O)NNc2nc3c(OC)cccc3s2)cc(OC)c1OC 4121313 XGXLKVVHBGRXBF-UHFFFAOYSA-N 389.433 3.088 50 40 GGGB O=C(N/N=C/c1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 5047169 QEZCVPMUWLPTDI-VRVUXBDFSA-N 393.340 3.348 50 40 GGGB CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1cncc(Br)c1 13940579 YNVBKOWJWYYDBW-ULUXBISQSA-N 388.221 3.392 50 40 GGGB CCOc1ccccc1NC(=O)N/N=C\c1ccc(OCC(=O)O)c(Cl)c1 408858543 PZVRKOHDUQDEOS-JMIUGGIZSA-N 391.811 3.358 50 40 GGGB CCCOc1ccc(C(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)cc1 20197548 UJGJLAVZQMJSLB-ZVHZXABRSA-N 392.459 3.069 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Cl)ccc1O)c1ccccc1 408978083 GYZFCTKFXTXMRI-GKXUUXLPSA-N 389.839 3.373 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccc(Br)c2)n1 3130333 SJBBIWOLVSLGFE-CAOOACKPSA-N 379.283 3.098 50 40 GGGB N#Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1c(Cl)cccc1Cl 15978250 DSSAYEJCNANABG-CMDGGOBGSA-N 390.226 3.105 50 40 GGGB CCc1ccc(OCC(=O)N/N=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 4180454 YZHKZDAJPCAMFU-HYARGMPZSA-N 396.447 3.287 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCC(=O)O 9202267 HPBHIOKCISRLSV-UFFVCSGVSA-N 390.823 3.274 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3cccnc3)c2C)c1 107630655 YKOVFGGGUDYZIF-FSJBWODESA-N 378.432 3.270 50 40 GGGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(N)=O)cc1 35110145 PSORJMMSTKLGDZ-XUMLYMLNSA-N 381.432 3.046 50 40 GGGB O=C(NN(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 13006216 OCGMCCSNSQGITC-KRWDZBQOSA-N 375.428 3.498 50 40 GGGB CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 409005370 IDCMPHUTXLHDQG-BUVRLJJBSA-N 397.450 3.227 50 40 GGGB C=CCOc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 409263382 JAACSNARCHJMKV-YPFLROGLSA-N 391.471 3.317 50 40 GGGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1 408813538 QPTBPPUFUWIBKS-SFQUDFHCSA-N 394.427 3.491 50 40 GGGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccnc3)c2C)c1 5986620 YHVDUHVEGBJMHS-FSJBWODESA-N 375.432 3.211 50 40 GGGB Cc1cc2c(c(=O)n1C)[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 20086810 HKBAIPVOGBQQTJ-NRFANRHFSA-N 399.450 3.491 50 40 GGGB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccccc1 2616438 RNYNGQJIENVBMB-IBGZPJMESA-N 395.503 3.200 50 40 GGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N32)cc1 12275103 SIVKXVFYXYJTLP-IIBYNOLFSA-N 396.443 3.477 50 40 GGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N32)cc1 12275021 AFPIWUYFAAXWKC-LAUBAEHRSA-N 396.443 3.477 50 40 GGGB CCCCOc1ccc(S(=O)(=O)NNC(=O)c2cc3ccccc3o2)cc1 2272061 IAOLKQRELGNEME-UHFFFAOYSA-N 388.445 3.235 50 40 GGGB COc1ccc(OCC(=O)N/N=C/c2cccn2-c2ccc(OC)cc2)cc1 4083511 DCOAIDUGCLTPDX-HYARGMPZSA-N 379.416 3.024 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCC(N)=O 408802528 FURCJRYWSLYEDT-VGOFMYFVSA-N 399.834 3.067 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC)c(Br)c2)c1 8339688 RCMRZVBQUPVCHF-VXLYETTFSA-N 393.237 3.239 50 40 GGGB CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Cl)cc4)[C@H]3[C@H]1CC2 101146457 VQFVQSKBUXDLQC-AXUOBQJMSA-N 375.863 3.226 50 40 GGGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1Cl 13847733 SCSFXAVOOICLQP-DJKKODMXSA-N 377.784 3.094 50 40 GGGB Cc1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 6845579 YYEVZHPWPZKAMR-UHFFFAOYSA-N 390.439 3.267 50 40 GGGB O=C(COc1ccc2ccccc2c1)NCC(=O)N/N=C/c1ccc(Cl)cc1 38535165 COSBMXIIJZHRFY-WYMPLXKRSA-N 395.846 3.139 50 40 GGGB COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1 12275602 BWBUAFAOZISIFH-UWJYYQICSA-N 396.443 3.477 50 40 GGGB COc1cc(Br)ccc1OCC(=O)N/N=C/C=C/c1ccco1 3148353 FYESTOSNUYPKOH-ZBXLFGCISA-N 379.210 3.245 50 40 GGGB C/C(=N\NC(=O)c1cccc(I)c1)c1cccc(N)c1 12362518 QAEDVHNADLLMQF-VCHYOVAHSA-N 379.201 3.027 50 40 GGGB N=C1NC(c2ccccc2)=N[C@]1(NC(=O)c1ccc(F)cc1)C(Cl)Cl 101411850 DLFSJQZFGYEKIP-KRWDZBQOSA-N 379.222 3.083 50 40 GGGB BrC[C@@H](Br)O[C@H](Br)CBr 1675727 WKRKFUPTDMDLIR-IMJSIDKUSA-N 389.707 3.235 50 40 GGGB CC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N1)c1ccccc1S2(=O)=O 988588 PLXXNSDFMFNDRE-QGZVFWFLSA-N 379.397 3.235 50 40 GGGB Cc1ccc(C(=O)NNC(=O)NCc2ccc(CN3CCC(C)CC3)cc2)cc1 29327214 VNYXMEZKLPTELI-UHFFFAOYSA-N 394.519 3.371 50 40 GGGB CSc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1 59444378 BKIUBTYEJBGFGZ-VCHYOVAHSA-N 392.278 3.260 50 40 GGGB C[C@@H](SC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1)C(=O)Nc1ccccc1Cl 12622485 FJLJRYJSNWXEGG-MNOVXSKESA-N 388.880 3.431 50 40 GGGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cc2ccccc2oc1=O 6237788 SURUBTIBDAOQBY-UHFFFAOYSA-N 380.444 3.161 50 40 GGGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 5603228 TYOWMEYXYJBDMO-PCLIKHOPSA-N 387.439 3.032 50 40 GGGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 1437647 VTOPOIGKAUOYAM-LPYMAVHISA-N 378.384 3.336 50 40 GGGB COc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1Br 6563034 OWYLOPVKQQQYLP-VXLYETTFSA-N 390.237 3.180 50 40 GGGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cccc2ccccc12 408608298 VTQHKGLKTGLJEU-KRWDZBQOSA-N 376.441 3.398 50 40 GGGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1(c2ccc(Cl)cc2)CC1 14238713 MCELKJWOFLWTFU-GFCCVEGCSA-N 376.815 3.126 50 40 GGGB C=CCOc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1 409007420 WINGYQHBGVDHMX-JJIBRWJFSA-N 391.471 3.254 50 40 GGGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cccc([N+](=O)[O-])c1O 98035280 GZVWTKRGHCQQTF-XKZIYDEJSA-N 391.383 3.497 50 40 GGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1OC 2055065 CXIIOFMRQWNQRI-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc2c(c1)OCO2 15145229 AGIQHTXVRBUELN-KEBDBYFISA-N 379.328 3.347 50 40 GGGB COC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 3275078 ZFCROJBQPRWSIA-CIAFOILYSA-N 380.404 3.246 50 40 GGGB O=[P@@]1(N2CCOCC2)N=C(c2ccccc2)N=C(C(Cl)(Cl)Cl)N1 102138353 DICOMPOEIBHIEC-QHCPKHFHSA-N 395.614 3.245 50 40 GGGB CCO[C@@H]1CC([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)=CC=C1OC(C)C 803731 UNUOINQMIIXTBI-AEFFLSMTSA-N 384.432 3.162 50 40 GGGB Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1cccnc1)C(C#N)=C(N)O2 2257902 UDVMPRRHTWPDEO-HXUWFJFHSA-N 384.439 3.013 50 40 GGGB Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)CSc3ccccc3F)cc2)n1 6560126 RPEMESHQDQNXEI-UHFFFAOYSA-N 398.463 3.182 50 40 GGGB Cc1cc(O[C@@H](C)C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1C(C)C 40140309 JISISXQBTVRGHC-AWEZNQCLSA-N 384.432 3.076 50 40 GGGB COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2ccc(C)o2)C(C#N)=C(N)O3)c1 5130610 DRGZXLMAVRADHP-MRXNPFEDSA-N 378.388 3.214 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1OC 59515525 ILZSUYJHRGIXMA-OEAKJJBVSA-N 395.459 3.472 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2C)C(=O)N1c1ccccc1 16666396 FPTLHLFNPXMMIG-HGBKYHTQSA-N 377.469 3.167 50 40 GGGB CCOc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OCC 408565761 ADAUEARNWGCBKN-UDWIEESQSA-N 387.392 3.165 50 40 GGGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2)c1 409109100 XTSJYZBYRHATKA-JXAWBTAJSA-N 377.444 3.468 50 40 GGGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cc(Cl)ccc2OC)cc1 5289180 LLLYCFLKQXCNES-WSDLNYQXSA-N 389.839 3.492 50 40 GGGB C=CCOc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 3626839 FYYYVLDQOHHBNT-FQEVSTJZSA-N 392.503 3.464 50 40 GGGB O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccccc1 101072502 CTMOORJHJLZVLO-WYUUTHIRSA-N 387.071 3.113 50 40 GGGB CCOC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1 6955156 IJVOQAHDRKIPPM-GFCCVEGCSA-N 395.278 3.084 50 40 GGGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 58911460 UOOXDWVIVGWEQJ-LSHDLFTRSA-N 393.274 3.153 50 40 GGGB O=C(CCl)N[C@@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O 2311304 WOXJJSFPNRLWMC-SFHVURJKSA-N 386.835 3.098 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)OC(C)C)cc(Cl)c1OCC(=O)N(C)C 5118820 TYBZZJJVBWWQOC-VGOFMYFVSA-N 394.855 3.064 50 40 GGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 4743487 UGDDSLOJTSWFNB-CNHKJKLMSA-N 384.175 3.136 50 40 GGGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(N)=O)cc1 408878448 BIFJUIALPFGWDK-FOWTUZBSSA-N 392.436 3.308 50 40 GGGB CCOc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1cccc2ccccc12 408889802 HFSYDKJZFGEHNY-YDZHTSKRSA-N 377.400 3.460 50 40 GGGB COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 33335765 PUPFMRVOLPDVLV-MFOYZWKCSA-N 378.182 3.130 50 40 GGGB Cc1cc(SCC(=O)N/N=C/c2ccc(C(=O)O)cc2)nc2ccccc12 5006876 WQJWMGIBOOAJFS-SRZZPIQSSA-N 379.441 3.484 50 40 GGGB COc1ccc2c(c1)c(C(=O)NN=Cc1ccc(OC)c(OC)c1)c(C)n2C 15985445 VWDDDPXOEJCEPF-UHFFFAOYSA-N 381.432 3.276 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc([N+](=O)[O-])c1O 7385809 PKGKPTOJFJOQLD-FYJGNVAPSA-N 398.419 3.063 50 40 GGGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 20100829 QDRRHEQAGQFZEJ-VXLYETTFSA-N 377.784 3.176 50 40 GGGB Cc1ccc(C)c(OCC(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 7593637 ZRCMIRNOVCXQAN-UHFFFAOYSA-N 390.867 3.341 50 40 GGGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccncc1 59459347 XZYCWBSCNDNKKF-SRZZPIQSSA-N 388.265 3.252 50 40 GGGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2330947 CBWAWHDPSRGHJP-BAACNHRGSA-N 383.860 3.252 50 40 GGGB C/C(=N/NC(=O)COc1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1 4155536 JWIKVFZHKNCSBA-FMCGGJTJSA-N 379.338 3.107 50 40 GGGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408791032 ZZSMYYSRSDYSSE-XNTDXEJSSA-N 395.371 3.082 50 40 GGGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 408955110 WHOKVDJGWICMQK-KGENOOAVSA-N 377.404 3.215 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1Oc1ncccc1[N+](=O)[O-] 409370171 MFLOVIKZHPGTGZ-RVDMUPIBSA-N 394.387 3.320 50 40 GGGB Cc1c(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)sc2ncnc(N)c12 408972899 HMQKZUGUSFLZQB-IPBDZQFASA-N 396.259 3.358 50 40 GGGB Cc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(C)(=O)=O 5549131 GRGXGNFLKMTDSH-UHFFFAOYSA-N 393.553 3.470 50 40 GGGB CCOC(=O)Cn1cc(/C=N/NC(=O)CCc2ccccc2)c2ccccc21 14134452 RTJLJWFBDGQLKH-OEAKJJBVSA-N 377.444 3.287 50 40 GGGB CCCCCCCC(=O)NNC(=O)c1c(O)n(CCC)c2ccccc2c1=O 103722834 RQWZJBMOZWTAAW-UHFFFAOYSA-N 387.480 3.239 50 40 GGGB COc1cc(Br)cc2cc(C(=O)CBr)c(=O)oc12 11566770 MVWSQZMWLDSTSO-UHFFFAOYSA-N 376.000 3.142 50 40 GGGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(OC)c1O 4171073 DKCRDHRKFQJGKI-AWEZNQCLSA-N 396.428 3.079 50 40 GGGB COc1ccc(OC)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1 4724085 MVCUXQPTZQDQKT-LFVJCYFKSA-N 390.439 3.090 50 40 GGGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 17076901 HWPJFCNLICHQKE-WOJGMQOQSA-N 376.210 3.440 50 40 GGGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 409005512 DVQFMJSHCCXNLI-ATVHPVEESA-N 392.415 3.286 50 40 GGGB CCOc1ccc(/C(C)=N/NC(=O)c2cc(OC)cc(OC)c2)cc1[N+](=O)[O-] 408710671 VAWUMFGSXOBUGG-UDWIEESQSA-N 387.392 3.165 50 40 GGGB COC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 1079018 NYKAUOSVBQLKGM-NGZBARDMSA-N 386.473 3.010 50 40 GGGB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccccc1Br 676326 SXIAWJBEWSIFCL-HPAYWCODSA-N 392.209 3.275 50 40 GGGB COc1cc(/C=N/NC(=O)CN2CCCCC2)ccc1OCc1ccccc1 831163 QZNILJDUISLOGH-HZHRSRAPSA-N 381.476 3.210 50 40 GGGB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)CCC1CCCCC1)[C@H]2C(=O)O 102202074 LHKHEXGCGNWVRO-SAKMYQHLSA-N 376.497 3.188 50 40 GGGB CC(C)CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408816291 YFQTZOJXLRTLDK-LDADJPATSA-N 383.492 3.193 50 40 GGGB Cc1cc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)ccc1Br 5793034 KCHRRZGVNDKBEA-GIJQJNRQSA-N 392.209 3.195 50 40 GGGB CC[C@]1(C)Cc2ccccc2-c2nc(NNC(=O)Cc3ccccc3)[nH]c(=O)c21 26895595 QXWQRFHNUQUVQC-HSZRJFAPSA-N 388.471 3.347 50 40 GGGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 20248152 ZRPGIHWJKCIOCA-QGMBQPNBSA-N 379.825 3.337 50 40 GGGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2C)c(Br)c1 40144674 MZXOWNSOJPPNFI-ZDUSSCGKSA-N 391.265 3.294 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1 842163 QXFKKUUKDFUPSO-YBFXNURJSA-N 376.254 3.044 50 40 GGGB CC(=O)[C@@H](C(=O)Nc1ccc(C)cc1)[C@H]1C(=O)c2ccccc2C(=O)[C@H]1Cl 5683146 FGKNCAPISWXPGB-KURKYZTESA-N 383.831 3.442 50 40 GGGB NS(=O)(=O)c1ccc(NNC(=O)N(c2ccccc2)c2ccccc2)cc1 6240567 MSPWZUSVSPOHJZ-UHFFFAOYSA-N 382.445 3.209 50 40 GGGB COc1ccc2cc([C@H](C)C(=O)NNC(=O)c3ccc4c(c3)OCO4)ccc2c1 8141239 PAZPHDVNXMYYPI-ZDUSSCGKSA-N 392.411 3.142 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(C)=O)cc1 408718256 PRKUEDJXMHGDBW-VXLYETTFSA-N 391.221 3.147 50 40 GGGB Cc1cccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(\C#N)C(N)=O)c1 12374283 HTLYWESAWDZMSK-KOXKPCSVSA-N 377.469 3.215 50 40 GGGB O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1Cl 59303296 WLZHPNZBZZYZPE-WSDLNYQXSA-N 397.818 3.358 50 40 GGGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 2296821 CIPXBEYHPNYVKJ-CQSZACIVSA-N 389.433 3.010 50 40 GGGB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCl)[C@@H]2c2ccccc2)cc1 4680952 VZICHOGZJDJHLG-IBGZPJMESA-N 392.908 3.156 50 40 GGGB COC(=O)[C@H]1C(=O)NC(SCc2ccccc2F)=C(C#N)[C@@H]1c1ccccc1 409129161 QYORFHZAASAVMT-ZWKOTPCHSA-N 396.443 3.497 50 40 GGGB Cc1[nH]nc2c1[C@@H](c1ccccc1OCc1ccccc1C#N)C(C#N)=C(N)O2 409133954 VCFLYILVUFYYJU-FQEVSTJZSA-N 383.411 3.387 50 40 GGGB CCOc1ccc(CC(=O)N/N=C\c2ccc(O)c(Br)c2)cc1 408711857 NSWZFVSSKBOIRQ-ODLFYWEKSA-N 377.238 3.246 50 40 GGGB Cc1cc(N2C[C@H](C(=O)Cl)CC2=O)cc(C)c1I 45889731 MYRWNMJJZMEAFC-SECBINFHSA-N 377.609 3.026 50 40 GGGB O=C(N/N=C/c1ccccc1O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1055580 MRKWSDIFHQPEAO-HZHRSRAPSA-N 383.411 3.404 50 40 GGGB O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1cccc(Br)c1 17087110 JTNZJDOPHKVADK-UHFFFAOYSA-N 377.160 3.253 50 40 GGGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccn(Cc2ccc(Cl)cc2)n1 1001372 VOOOKANJESNLGU-UFFVCSGVSA-N 382.807 3.077 50 40 GGGB C[C@@H]1Oc2cc(Br)c(/C=N/NC(=O)Cc3ccccc3)cc2O1 5534443 RRVPYAKMLCLMLA-VSMYLPJWSA-N 375.222 3.259 50 40 GGGB CCOCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1 1766560 PNRBTWXDEZMRFT-NBVRZTHBSA-N 394.427 3.434 50 40 GGGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c1O 6180698 CHOFFLOOKVDRCV-ZVBGSRNCSA-N 397.309 3.021 50 40 GGGB N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccccc1I 711274 NNQZYEUTGXCKJQ-OAHLLOKOSA-N 389.196 3.092 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1O 6958751 ADAUITMMAFYCHH-UFFVCSGVSA-N 389.839 3.150 50 40 GGGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 28214107 VTFXETXXSUYCPP-QPNANDPSSA-N 399.516 3.221 50 40 GGGB O=C(Nc1ccc2ccccc2c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408684105 JNLBAXZDWCVSRI-KWRZAIAESA-N 386.245 3.349 50 40 GGGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)c(O)c1)c1ccccc1F 5219763 GYPWGCGYGSEFNA-FSJBWODESA-N 393.374 3.253 50 40 GGGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc2C1 408719870 GXBMUFKZTUAPDC-UFFVCSGVSA-N 376.243 3.028 50 40 GGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2ccccc2O)o1 13136051 UPOOPFWHRVJYCO-JAIQZWGSSA-N 381.344 3.333 50 40 GGGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@H]2C1 4312498 ZDYAIAYAGVDPCR-WMZOPIPTSA-N 397.404 3.451 50 40 GGGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCc1ccco1 408819156 ZVFKMOBZWJEBIL-NTEUORMPSA-N 385.217 3.277 50 40 GGGB CN1C(=O)/C(=C(/C#N)C(=O)NCc2ccccc2)c2cc(Br)ccc21 409122194 YMGUZEYUAWNJSI-ICFOKQHNSA-N 396.244 3.019 50 40 GGGB Cc1ccc(-c2ccc(/C=N/NC(=O)CC3(C)OCCCO3)o2)c([N+](=O)[O-])c1 408719796 SJJYVIUTEFPGDL-UDWIEESQSA-N 387.392 3.157 50 40 GGGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)NC(C)C)cc1OC 408775238 OTFKUBABFMPNKH-QPEQYQDCSA-N 379.254 3.454 50 40 GGGB CC1=C/C(=N/NC(=O)c2ccc(N)cc2)CC(C)(C)[C@]1(O)/C=C/C(C)=C\C(=O)O 605822550 PHUJBSRMPCDVNE-ZMOGPFATSA-N 397.475 3.049 50 40 GGGB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2 33471354 NUARRCYSWHPTKP-DHDCSXOGSA-N 380.400 3.369 50 40 GGGB C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1cc([N+](=O)[O-])cs1 3079800 FBOQETSQYLIIFG-UHDDOIDHSA-N 398.238 3.336 50 40 GGGB COc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 5721238 SAELSYJJOANWSS-OAHLLOKOSA-N 393.468 3.406 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccco3)c2C)cc1C 17472408 YJNAELLDLKVCFO-WYMPLXKRSA-N 392.459 3.070 50 40 GGGB Cc1ccc(Cl)cc1NC(=O)[C@H](Br)[C@H](Br)C(=O)O 1739544 MAUKWNXOENKBJU-BDAKNGLRSA-N 399.466 3.199 50 40 GGGB COc1ccc(-c2ccc(/C=C3/C(=O)N(C)C(=O)C(C#N)=C3C)o2)cc1[N+](=O)[O-] 101139877 VHXSCTGFBVOGKQ-NTEUORMPSA-N 393.355 3.085 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1O 59920845 NMRDKNLKRDVXOT-VXLYETTFSA-N 393.237 3.326 50 40 GGGB COc1ccccc1NCC(=O)N/N=C(/C)c1cccc(Br)c1 4711908 FRJMURAULHDABZ-NDENLUEZSA-N 376.254 3.410 50 40 GGGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1 7727790 DHWFYWUKHBNLJF-UHFFFAOYSA-N 390.461 3.486 50 40 GGGB C/C(=N/NC(=O)c1cc(Br)ccc1O)c1ccc2c(c1)OCCO2 1458104 WZMRIPIQRCFLTC-GRSHGNNSSA-N 391.221 3.080 50 40 GGGB CC(C)c1ccc(CCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 40144390 ZIVCCTRZCXHSLM-UHFFFAOYSA-N 378.270 3.294 50 40 GGGB O=C(COc1ccccc1F)NNC(=O)c1cccc(Oc2ccccc2)c1 3400756 FNQPOCFJZQMCIT-UHFFFAOYSA-N 380.375 3.458 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1OCC 7869485 HWGLICLREKPHJF-LPYMAVHISA-N 387.411 3.102 50 40 GGGB O=C(COc1ccccc1)N/N=C\c1cc(Cl)cc(Br)c1O 12362722 MMMRYCHCRRBTAB-LSCVHKIXSA-N 383.629 3.337 50 40 GGGB O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1cc(Cl)ccc1Cl 6510514 RAAOLDVGHLDLPA-UHFFFAOYSA-N 379.243 3.322 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3OC)[nH]n2)cc1OC 9088040 YWPQFGZYHHQZJF-LPYMAVHISA-N 394.431 3.257 50 40 GGGB COC(=O)[C@@H]1C(=O)NC(SCc2cccc(F)c2)=C(C#N)[C@H]1c1ccccc1 409124899 BUQAYOTURWOSMV-MSOLQXFVSA-N 396.443 3.497 50 40 GGGB COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2 409141726 JWBMCALKDIZYHX-INIZCTEOSA-N 388.265 3.188 50 40 GGGB CCOc1cc(C(=O)NN)cc(Br)c1OCc1ccccc1C 216837005 IFXNGPOAZPOHAI-UHFFFAOYSA-N 379.254 3.339 50 40 GGGB CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2Cl)cc1 12734396 HAXGBCLVOVRPEL-UHFFFAOYSA-N 380.803 3.106 50 40 GGGB Cc1ccc(C(=O)N/N=C2/C(=O)N(C)c3c(C)cc(Br)cc32)cc1 18209944 LBCBMEPBOVIQEM-HMMYKYKNSA-N 386.249 3.176 50 40 GGGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CCC2 1422419 XDAIBTHKRWSCGJ-XMMPIXPASA-N 396.450 3.406 50 40 GGGB COc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)cc(Br)c1O 695620 XPUQISHRPHRPSV-CNHKJKLMSA-N 399.628 3.286 50 40 GGGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cc(Cl)ccc2O)cc1 100923098 UEGPNGIDPQEAMB-SRZZPIQSSA-N 375.812 3.189 50 40 GGGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 4118998 VGTOVRKOAPOOAN-XDHOZWIPSA-N 385.380 3.113 50 40 GGGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCCC3)=C2C#N)cc1 6355255 XETCWGDYOHSNFB-KRWDZBQOSA-N 399.516 3.170 50 40 GGGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccnc2ccccc12 20086121 GEMVZKAHDQKUEJ-IBGZPJMESA-N 380.407 3.305 50 40 GGGB CC(C)N1CC=C2[C@@H](C1)[C@@H](c1ccccc1Cl)C(N)=C(C#N)C2(C#N)C#N 13882057 ZEGQZSZKEBETKS-DNVCBOLYSA-N 377.879 3.474 50 40 GGGB C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(Cl)cc1 408913944 VJLOPOYWQBXGQY-GNUZOCDUSA-N 393.896 3.035 50 40 GGGB CCn1c(C)cc(/C=N\NC(=O)COc2cccc(Br)c2)c1C 409075458 YXNGYOQLTAKZSJ-GRSHGNNSSA-N 378.270 3.416 50 40 GGGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1 409040366 TYBCNUXMJUODOC-CIAFOILYSA-N 393.355 3.246 50 40 GGGB O=C(Cc1ccc(Cl)cc1Cl)NNC(=O)c1cc(-c2ccccc2)n[nH]1 6173784 HSCFETSWHMKPSN-UHFFFAOYSA-N 389.242 3.387 50 40 GGGB C/C(=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccco1 4806190 FGGMKQHQELOAIC-JLPGSUDCSA-N 375.428 3.068 50 40 GGGB CCOc1cc(C(=O)NNC(=O)NC2CCCCC2)cc(OCC)c1OCC 5906176 SYPHOLPIXDNMDP-UHFFFAOYSA-N 393.484 3.159 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccccc1F 408964013 LNMAQBLXLZTVME-WYMPLXKRSA-N 396.397 3.461 50 40 GGGB COc1ccc(Cl)cc1-n1c(=O)c2ccccc2n2c(CCl)nnc12 408712605 ATTRWJGEOVIWED-UHFFFAOYSA-N 375.215 3.434 50 40 GGGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc([N+](=O)[O-])ccc1O 83327030 AZFZISDRLGPWLP-GRSHGNNSSA-N 396.315 3.233 50 40 GGGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(CC)c32)ccc1OC(F)F 706797 QMSKUWLFGGWXAI-AWEZNQCLSA-N 376.363 3.190 50 40 GGGB CCN(CC)C(=O)Cn1cc(/C=N/NC(=O)Cc2cccs2)c2ccccc21 6629815 NQBXHQSHUFBIIU-LPYMAVHISA-N 396.516 3.264 50 40 GGGB Cc1ccccc1N[C@H](C)C(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 2752613 MENLJTXJVAVNCN-YXZFXQPTSA-N 376.800 3.213 50 40 GGGB C[C@@H](Sc1ncnc2c1cnn2C)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104757871 FMEOVFNLJOLHMT-WENGMCCWSA-N 394.485 3.366 50 40 GGGB O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(C(=O)N/N=C/[C@@H]2C[C@@H]3C=C[C@@H]2C3)o1 104106866 AFAUUXNDJLKADH-CMBCLNTFSA-N 392.459 3.135 50 40 GGGB O=C(COc1ccc(/C=N/NC(=O)c2cccnc2)cc1)Nc1ccc(F)cc1 28214921 GKVCOWZMARWLPX-WYMPLXKRSA-N 392.390 3.002 50 40 GGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 4118994 COBPKWAKQKDJJP-DEDYPNTBSA-N 397.391 3.257 50 40 GGGB CC(=O)c1cccc(NC(=S)NNC(=O)Cc2c(F)cccc2Cl)c1 6385750 NYSUNPAWKUFHSB-UHFFFAOYSA-N 379.844 3.242 50 40 GGGB COc1cccc(NCC(=O)NNC(=O)c2csc(-c3ccc(C)cc3)n2)c1 8710521 KAJFCJNECNOEPR-UHFFFAOYSA-N 396.472 3.000 50 40 GGGB CC(C)=NNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 408791326 YPEWFVFREXACAT-UHFFFAOYSA-N 393.896 3.356 50 40 GGGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])cc(OC)c2O)c1 408746855 WVRJAAWRDHYVJB-QPEQYQDCSA-N 383.360 3.253 50 40 GGGB NNC(=O)c1ccc2nc(-c3ccc(I)cc3)sc2c1 73635164 PUJAOYHPIGTPIR-UHFFFAOYSA-N 395.225 3.171 50 40 GGGB Cc1ccc(/C=N/NC(=O)/C(=N/Nc2ccccc2)NC(=O)c2ccccc2)cc1 15219680 LMUQTVKICFUQPM-LFVJCYFKSA-N 399.454 3.301 50 40 GGGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 2219371 GMCPSWTXEYKWHT-SFHVURJKSA-N 377.375 3.155 50 40 GGGB CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)cc4)c32)c2ccccc21 4167013 WPIYLETYYKXXMB-HSZRJFAPSA-N 397.438 3.124 50 40 GGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(OC)c1O 4171074 DKCRDHRKFQJGKI-CQSZACIVSA-N 396.428 3.079 50 40 GGGB COc1ccc(OCC(=O)N/N=C/c2cc3ccc(OC)cc3nc2Cl)cc1 408869808 UFBINXBXMKBJJP-SSDVNMTOSA-N 399.834 3.435 50 40 GGGB CCOC(=O)COc1ccccc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1 409232148 HDBCEPWXTSSDDU-UEIJICEPSA-N 378.428 3.413 50 40 GGGB O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\c1cccc(F)c1 31729694 DPCBWWIBLYVPAM-WNFQYIGGSA-N 383.210 3.404 50 40 GGGB O=[N+]([O-])c1cc(CCBr)c([N+](=O)[O-])cc1CCBr 4265694 NSYKKZLMSALIPN-UHFFFAOYSA-N 382.008 3.378 50 40 GGGB biogenic C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1429075 CZTJFMGHYRNPCK-HPAYWCODSA-N 392.209 3.275 50 40 GGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c(OC)c1 58883492 ISQALIGBIGUHON-LPYMAVHISA-N 383.448 3.090 50 40 GGGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc21 1206150 ACUDWYSMGLATDY-LDADJPATSA-N 387.439 3.428 50 40 GGGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccncc1 408860876 HBWWXRDZGYCZQP-LPYMAVHISA-N 376.372 3.333 50 40 GGGB COc1ccc(OCC(=N)NNC(=O)c2cccnc2Oc2ccccc2)cc1 4039743 ARIRAGBIEUJULV-UHFFFAOYSA-N 392.415 3.173 50 40 GGGB O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 6173790 QTTJMKARDKOALX-UHFFFAOYSA-N 388.349 3.099 50 40 GGGB CCOc1cc(C(=O)NNC(=O)CC2CCCC2)cc(OCC)c1OCC 8271489 QCAXHXNEGXTJOJ-UHFFFAOYSA-N 378.469 3.224 50 40 GGGB Cc1ccc(NCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 5696108 VBNIRWKOAROVKY-SLEBQGDGSA-N 398.466 3.474 50 40 GGGB CN1C(=C(C#N)C(=O)COC(=O)c2cc(F)cc(F)c2)N(C)c2ccccc21 22886004 OUGQARVMHNOLGH-UHFFFAOYSA-N 383.354 3.012 50 40 GGGB O=C(NNC(=S)NCCCc1ccccc1)c1cccc(Br)c1 408585939 LGUNBMCWKDCJCF-UHFFFAOYSA-N 392.322 3.191 50 40 GGGB CCN1C=CC2=C(C#N)[C@@H](N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@H]2C1 95405713 RVFTYZUZLXPIGM-YTQUADARSA-N 397.404 3.449 50 40 GGGB CC(C)c1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3Cl)C2=O)cc1 100097002 FUOULAFIDNMLEY-QGZVFWFLSA-N 385.851 3.030 50 40 GGGB COc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccc(C)cc2)cc1OC 818286 LNNUEUIEHHLWCO-SFHVURJKSA-N 381.457 3.312 50 40 GGGB COC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2ccccn2c1=O 4205525 HVDMGQRAARBQBF-RVDMUPIBSA-N 375.384 3.184 50 40 GGGB O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1O 5392477 PKONUXNCQTVNOG-UHFFFAOYSA-N 384.395 3.077 50 40 GGGB N#C/C(=C\c1ccc(OCc2ccc(C#N)cc2)cc1)C(=O)NC[C@@H]1CCCO1 409198324 CKWYWMPRBFHRFW-PZDOZLBDSA-N 387.439 3.339 50 40 GGGB O=C(COc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 408997647 SEUXEKPLTVOPIO-KGENOOAVSA-N 382.420 3.114 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1[N+](=O)[O-] 4815498 QAJIEOSZWKJLLO-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB C[C@@H](CC(=O)NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1ccccc1 8984292 KLYBXCSOJMEAMU-UONOGXRCSA-N 382.489 3.438 50 40 GGGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1N1CCOCC1 408678390 YDLTUYWMHVUAHY-JJIBRWJFSA-N 392.503 3.196 50 40 GGGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(N2CCOCC2)cc1 38202713 JLOODIOJQPEEDT-OYKKKHCWSA-N 391.393 3.235 50 40 GGGB COc1ccc(OCC(=O)N/N=C(\C)c2ccccc2)c(Br)c1 4534501 CYIPWHGBRWLWPK-XDHOZWIPSA-N 377.238 3.377 50 40 GGGB COc1cccc(/C=N\NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)c1OC 4523719 BBTOOYKXPKSUBR-OLRBPVQESA-N 398.459 3.291 50 40 GGGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 408996748 JRPPWQCFCLYWOE-FOKLQQMPSA-N 391.830 3.034 50 40 GGGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccnn2C[C@H]2CCOC2)c1C 96298117 ZAWMPWUCFFUHOI-HDZGYNCQSA-N 381.480 3.294 50 40 GGGB COc1c(Br)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 409147543 MRUZFKFIIQXOJF-GFCCVEGCSA-N 395.644 3.361 50 40 GGGB COc1cccc(OC)c1/C=N\NC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225368677 BSYXLEDYSPKDFW-JJFYIABZSA-N 384.432 3.265 50 40 GGGB COc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccc(C)cc2)cc1OC 818287 LNNUEUIEHHLWCO-GOSISDBHSA-N 381.457 3.312 50 40 GGGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccccc2OCC(=O)O)cc1 4813975 GBKXWXDRXNLEDJ-QZDMBBGESA-N 384.432 3.193 50 40 GGGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1O 5827654 FAUSWTRAEFOJKU-LPYMAVHISA-N 389.367 3.230 50 40 GGGB N#CC1=C(SCC(=O)c2ccccc2)NC(=O)C[C@@H]1c1ccc2c(c1)OCO2 5870834 RHYFMZLSQBWUHF-OAHLLOKOSA-N 392.436 3.370 50 40 GGGB Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)Cc3ccccc3)cc12 8991170 FQMCTFGVYUYPCG-UHFFFAOYSA-N 390.468 3.399 50 40 GGGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1 8995048 ZMAXZVZYLCBXTI-QGZVFWFLSA-N 393.468 3.406 50 40 GGGB Cc1cccc(NC(=O)N/N=C\c2ccc(O)c(I)c2)c1 408904322 HXYVBFWTAWDMQA-MFOYZWKCSA-N 395.200 3.461 50 40 GGGB COc1cccc(C(=O)ON=C2C=CC(=NNC(=O)c3ccccc3C)C=C2)c1 6413075 RKHRITLYMLGGBX-UHFFFAOYSA-N 389.411 3.428 50 40 GGGB Cc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCC[C@@H]3C)c3ccccc32)cc1 59488406 PLQCDTXPQRGGKE-JOGXUEJDSA-N 390.487 3.308 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc([N+](=O)[O-])c1O 36020522 RMNRQZGIEFCVKI-CIAFOILYSA-N 379.372 3.155 50 40 GGGB O=C(NNC(=S)NCCCc1ccccc1)c1ccccc1Br 408587252 SOMPXCSQEITNSU-UHFFFAOYSA-N 392.322 3.191 50 40 GGGB Cc1ccc2nc(O)c(/C=N/NC(=O)CN3Cc4cc(C)c(C)cc4C3)cc2c1 409204641 CESUDIMGVXXDDS-YSURURNPSA-N 388.471 3.332 50 40 GGGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC3CCCCC3)o2)c1 409380827 BADSXHACOGNOTJ-YDZHTSKRSA-N 383.448 3.106 50 40 GGGB CC(C)c1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)nn1C(C)(C)C 40144419 YQEDPXCNFKZROK-UHFFFAOYSA-N 381.480 3.247 50 40 GGGB CC(C)CC[C@@]1(CCBr)C(=O)N=C(Nc2ccccc2)NC1=O 1705160 XUUYQOFRIJQJLR-UHFFFAOYSA-N 380.286 3.319 50 40 GGGB O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1ccccc1Br 59435804 LSAMHENPYOPCPC-GIJQJNRQSA-N 380.629 3.191 50 40 GGGB O=C(NNC(=O)c1ccccc1-n1cccc1)c1cccc(Br)c1 13137691 HYRJKRNEIACATR-UHFFFAOYSA-N 384.233 3.315 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccc(C(=O)O)cc1 4524077 ZVLFNHLHOUFSBW-WSDLNYQXSA-N 394.383 3.329 50 40 GGGB COc1ccc(/C=N/NC(=O)CCC(=O)NCc2ccccc2)c2ccccc12 4523896 XGXIBTDKOCAUJQ-PCLIKHOPSA-N 389.455 3.395 50 40 GGGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)C(O)(c1ccccc1)c1ccccc1 4724082 NLGWRYFNRXTIQP-DEDYPNTBSA-N 381.413 3.043 50 40 GGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C1/CCSc2c(F)cccc21 89821219 SIIODGNRPYJLPP-UYRXBGFRSA-N 375.381 3.129 50 40 GGGB COc1cc(C)c(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC 33795666 WLCXYJKYVTYNMZ-VXLYETTFSA-N 389.433 3.163 50 40 GGGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(N(CC)CC)o2)cc1 83301684 KTIZQPFINUHQTG-QTCOBDOFSA-N 387.480 3.488 50 40 GGGB CCOc1c(Br)cc(/C=N/NC(=O)c2cccnc2)cc1OC 5980178 KBSBRKXJDFZMDS-DJKKODMXSA-N 378.226 3.015 50 40 GGGB Cc1cccc(C)c1OCC(=O)NNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 40140683 JAQZLNILHKRCBE-UHFFFAOYSA-N 386.496 3.218 50 40 GGGB O=C(NNC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(Br)cc1 2620542 CSFGGEPXMGBFSC-UHFFFAOYSA-N 389.036 3.226 50 40 GGGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OC 408898104 KPHZEPYQUCRGQP-UKTHLTGXSA-N 383.360 3.166 50 40 GGGB COc1cc(C)c(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC 408549430 SSEFCPUTWNCXPY-FSJBWODESA-N 379.416 3.090 50 40 GGGB O=C(CCc1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 409118066 PWPGZSKSPMCSBX-JJIBRWJFSA-N 393.487 3.161 50 40 GGGB COc1ccc2ccccc2c1/C=N\NC(=O)CSc1nc(C)cc(C)n1 198899909 CQIXLDWWROCCOL-NHDPSOOVSA-N 380.473 3.498 50 40 GGGB Cc1ccccc1N1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=C(\C#N)C(N)=O 13635611 HDXRTBBINCBCIB-AWZALFRUSA-N 381.432 3.046 50 40 GGGB CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 2629236 HJXOWPPOIBGKGU-UHFFFAOYSA-N 383.231 3.232 50 40 GGGB COC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c2ccccc21 871916 IKQRNXPVFFFEFN-RVDMUPIBSA-N 389.411 3.369 50 40 GGGB O=C(NNC(=O)c1cc(C(F)(F)F)nc(C(F)(F)F)c1)c1ccccc1 22996448 ZQGDAYKGPQVTGH-UHFFFAOYSA-N 377.244 3.194 50 40 GGGB O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1Cl 108618283 ZZTRZNXUDTXPIW-FXBPXSCXSA-N 382.159 3.394 50 40 GGGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 4113750 WSKOOCBCLKRLGF-YDZHTSKRSA-N 387.867 3.285 50 40 GGGB O=C(N/N=C/c1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 5047168 QEZCVPMUWLPTDI-OKYTWDAHSA-N 393.340 3.348 50 40 GGGB CCC(=O)Nc1nnc(SCC(=O)Nc2ccc(SC#N)cc2)s1 13941982 GCFHOMHSRKIXME-UHFFFAOYSA-N 379.492 3.191 50 40 GGGB COC(=O)N/N=C/c1ccc(OCCOc2ccccc2Cl)c(OC)c1 4525999 FSHILMUYXSFGGT-UDWIEESQSA-N 378.812 3.496 50 40 GGGB COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)CC2(C)OCCO2)o1 408954943 NTRAYTRTHXBFDW-RGVLZGJSSA-N 378.812 3.212 50 40 GGGB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCl)[C@H]2c2ccccc2)cc1 4680953 VZICHOGZJDJHLG-LJQANCHMSA-N 392.908 3.156 50 40 GGGB COc1cc(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)c1OC 409192587 YUZTVLWBNUCUGN-GHXNOFRVSA-N 379.254 3.432 50 40 GGGB COCCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408541102 DTAWBKJBVDGEIM-GXDHUFHOSA-N 394.383 3.077 50 40 GGGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cccn1-c1cccc([N+](=O)[O-])c1 408754626 GLZNUPCNBWUNAJ-INKLHFNDSA-N 392.415 3.349 50 40 GGGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1O)c1ccccc1 408995285 BJBZMNWCCUBWMV-LPYMAVHISA-N 375.384 3.114 50 40 GGGB COc1ccc(OCC(=O)N/N=C(\C)c2ccc(Br)cc2)cc1 5288305 CQTHFJSUZIHQKO-XDHOZWIPSA-N 377.238 3.377 50 40 GGGB C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OC)c1O 7385619 GQEDYLBWAZGDTM-HZHRSRAPSA-N 379.460 3.493 50 40 GGGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1cccc(C)c1O 1444829 UDRYHHRQCYEPJK-DJKKODMXSA-N 393.237 3.001 50 40 GGGB Cc1no[n+]([O-])c1COc1ccccc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 4548283 WPSAWZVLOKYLHH-MHWRWJLKSA-N 378.344 3.168 50 40 GGGB C#CCOc1ccc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OCC 10476010 ZKSMOHIVJBXMOW-XQNSMLJCSA-N 380.444 3.189 50 40 GGGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)NC1CCCCC1 59515589 FQIRXHCJSBEDAC-HZHRSRAPSA-N 379.460 3.165 50 40 GGGB N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 3277476 JNCRIHWAKPMTGD-UHFFFAOYSA-N 387.395 3.191 50 40 GGGB N#C/C(=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)Nc1ccc(Cl)cc1 408743418 AAEKLWSDCQSAQU-YHYXMXQVSA-N 388.723 3.408 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1 409015030 RLBLQLIPSQEEIL-NWFCWYBLSA-N 396.399 3.101 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 408846493 KCVKISWXAVQTRR-SXGWCWSVSA-N 381.388 3.178 50 40 GGGB Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 216546784 ZZJSHCNGUXOVRD-UHFFFAOYSA-N 387.439 3.251 50 40 GGGB COc1ccc(C(=O)[C@H](Br)CS(=O)(=O)c2ccc(C)cc2)cc1 2028288 MJUHOZYYOLAOCJ-MRXNPFEDSA-N 397.290 3.424 50 40 GGGB in-vitro O=C(CSc1ccc([N+](=O)[O-])cc1)NNc1c(F)c(F)cc(F)c1F 2663227 JVIGKVLCMGIYKO-UHFFFAOYSA-N 375.303 3.387 50 40 GGGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)o1 2795037 ZIZWNQWRPOEOSQ-DKGMDFAASA-N 380.400 3.155 50 40 GGGB O=C(CCCOc1ccc(Br)cc1)NNC(=O)c1ccccc1F 3373540 DEUBJFCRZDHDDD-UHFFFAOYSA-N 395.228 3.208 50 40 GGGB Cc1ccccc1N1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=C(/C#N)C(N)=O 2196405 HDXRTBBINCBCIB-SWEXZPIWSA-N 381.432 3.046 50 40 GGGB Cc1sc2nc(CC(=O)N/N=C/c3ccc([C@H]4C[C@H]4C)o3)[nH]c(=O)c2c1C 7119174 AQKFVFRBNBIFJQ-YGSPOVCASA-N 384.461 3.011 50 40 GGGB COc1ccccc1NC(=O)C1=C(C)N=C2C(C#N)=CNN2[C@H]1c1cccs1 8992001 NRGWVZNPUPVCPD-SFHVURJKSA-N 391.456 3.350 50 40 GGGB C/C(=N/NC(=O)c1c(O)ccc2ccccc12)c1cccc(NS(C)(=O)=O)c1 17081271 ZRKFAVSGLCCNGB-BKUYFWCQSA-N 397.456 3.071 50 40 GGGB O=C(N/N=C(/c1ccccc1)[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 33921001 CBDIJWPYIBDWMZ-UUZBPDLYSA-N 375.384 3.463 50 40 GGGB Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 102657589 WCTLRVALDLLXLN-WNAAXNPUSA-N 399.450 3.441 50 40 GGGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1cc(C)c(Cl)c(C)c1 725979 NXRIINZXTYOFDY-AWQFTUOYSA-N 391.811 3.403 50 40 GGGB O=C(N/N=C/c1ccc(Br)o1)C(O)(c1ccccc1)c1ccccc1 1083277 YLJOSQLGCHXGBM-FYJGNVAPSA-N 399.244 3.428 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(OC)c2)c(OC)c1 27563549 RHRTXSZKSDAUAH-GZTJUZNOSA-N 392.411 3.132 50 40 GGGB O=C(CSc1ncc(-c2ccc(F)cc2)o1)NNC(=O)c1cccs1 10714916 ZZGNFCSSZASHHH-UHFFFAOYSA-N 377.422 3.096 50 40 GGGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)o1 409361767 DYJGYSZCDSBXOY-WYMPLXKRSA-N 395.390 3.435 50 40 GGGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)N2CCCCCC2)c1C 408969343 MFWQPGMKRBESJH-HZHRSRAPSA-N 380.492 3.255 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)c(C)n1-c1ccccc1Cl 408867332 IHFOFVRYFXZGOP-WSDLNYQXSA-N 386.883 3.256 50 40 GGGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)CCCOc1ccccc1 6611182 QZTJGQDTKKVFBJ-UHFFFAOYSA-N 376.840 3.034 50 40 GGGB CN(C)c1cccc(C(=O)NNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1 22630988 MFYADTMLENIFTR-DHZHZOJOSA-N 377.366 3.246 50 40 GGGB O=C(C[C@H]1C=CCC1)NNC(=O)c1ccccc1OCCOc1ccccc1 12876002 JDZZEMBJWBTCRB-KRWDZBQOSA-N 380.444 3.262 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)NC)ccc1OCC(=O)Nc1ccccc1C 409006332 IRUJLLXQQMEDSQ-BOPFTXTBSA-N 393.443 3.064 50 40 GGGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409362603 SBTUFKFMKQDCFL-FOKLQQMPSA-N 381.363 3.346 50 40 GGGB N#C/C(=C\c1ccc(F)c(F)c1)c1nnc(N2CCOCC2)n1-c1ccccc1 7621019 GNHDIFSYCRPPMV-FOWTUZBSSA-N 393.397 3.446 50 40 GGGB Cc1cccc(-n2ncc(C(=O)NNC(=O)c3ccc(OC(C)C)cc3)c2C)c1 24835696 HXWCUSNYQGYTRM-UHFFFAOYSA-N 392.459 3.351 50 40 GGGB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\NNC(=O)c1ccc(C)cc1 408527143 CUMNHVAPPNBEPR-BOPFTXTBSA-N 382.851 3.498 50 40 GGGB Cc1ccc(C)n1-c1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1 15872946 FQIBLYCACIWMRC-UHFFFAOYSA-N 378.501 3.403 50 40 GGGB CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 825377 PWOQLSJWJBFNHY-UHFFFAOYSA-N 380.231 3.417 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 1301259 HSFVCGWEJCFVTK-SFHVURJKSA-N 376.372 3.200 50 40 GGGB CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c2ccccc21 2332614 URXSNVOBLAJXOA-OWJWWREXSA-N 397.434 3.026 50 40 GGGB COc1cccc(/C=N/NC(=O)CNc2ccc(Br)cc2)c1OC 409351496 WRTDWQWKOMOZCJ-KEBDBYFISA-N 392.253 3.029 50 40 GGGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)c1ccccc1 408898419 LBKQMERPZSWQMR-RCCKNPSSSA-N 380.425 3.218 50 40 GGGB CCOc1cc2c(cc1/C=N\NC(=O)c1cccc(Br)c1)OCO2 409106561 OAUORGHWPYWRFP-OCKHKDLRSA-N 391.221 3.340 50 40 GGGB CCn1c(SCC(=O)N/N=C/C=C\c2ccco2)nnc1-c1ccccc1 13382304 PVVBAGUAIVBWBE-AYKPKURLSA-N 381.461 3.466 50 40 GGGB C[C@@H](NC(=O)COc1ccccc1)C(=O)NNc1ccc(Cl)c(Cl)c1 32904772 GZGBGNVZQXDGMM-LLVKDONJSA-N 382.247 3.020 50 40 GGGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(Cl)cc3)CC2=O)cc1 59474741 YHAUNQZXMZWEPJ-OOXYOOLHSA-N 385.851 3.242 50 40 GGGB COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1cnn(C)c1 17080121 YTNVEBOLLGFEFV-OVCLIPMQSA-N 392.440 3.481 50 40 GGGB CC1(C)CC(=O)C2=C(C1)N(c1nc[nH]n1)C(N)=C(C#N)[C@H]2c1cccc(Cl)c1 5408205 ZNURJLKLWZRQKO-MRXNPFEDSA-N 394.866 3.399 50 40 GGGB COc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc(Br)c1O 2802084 ZWLFIRGKDVMXAQ-DNTJNYDQSA-N 388.221 3.409 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1 3219613 MHOCDBPIVSHUFN-MHWRWJLKSA-N 384.819 3.115 50 40 GGGB aggregator C[C@@H](Br)C(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1 13856525 AOIFHFUAPIVDGY-SNVBAGLBSA-N 381.178 3.008 50 40 GGGB COc1ccc(CC(=O)N/N=C(C)/C=C/c2ccc3c(c2)OCO3)cc1OC 4515219 GADFCYKWYLYQPN-JZILYMMXSA-N 382.416 3.181 50 40 GGGB Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCCCCC1)S(C)(=O)=O 408881431 JJHBXATUYGWIOD-UHFFFAOYSA-N 385.917 3.241 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1O 3572357 FHQJKZNDGHHPHN-DJKKODMXSA-N 381.201 3.456 50 40 GGGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 3184169 CISQPLARFXQZBW-LPYMAVHISA-N 377.400 3.033 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 7913476 MKVDMJCMWXGAHQ-FYJGNVAPSA-N 394.387 3.167 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)NC(C)C)c(C)n1-c1ccc(Cl)c(Cl)c1 58903866 HTLCXCJRINOAGO-ZVBGSRNCSA-N 395.290 3.376 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)cc(Br)c1O 3303976 FGSQPWQBSTVMPU-RUDMXATFSA-N 380.223 3.165 50 40 GGGB CCOc1ccc(Cl)cc1/C=N/NC(=O)CNC(=O)OCc1ccccc1 408806852 BJLHQBNCAMCILV-SSDVNMTOSA-N 389.839 3.115 50 40 GGGB NNC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Br)o1 73638354 BALYWERANRYEGY-ZZXKWVIFSA-N 386.043 3.475 50 40 GGGB COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)c1OC 8568234 WJCGRBISYZBOGK-AWEZNQCLSA-N 380.429 3.374 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cccc(I)c2)cc1 59502299 MLRULOSHAXLFPI-LICLKQGHSA-N 380.185 3.064 50 40 GGGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2O)cc1OC 6355492 WYZLBSJQHHEVRO-GRSHGNNSSA-N 393.237 3.326 50 40 GGGB O=C(N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 5569433 HOLJAXPNUKNDGQ-REZTVBANSA-N 398.600 3.480 50 40 GGGB COc1ccc(OC)c2sc(NNC(=O)c3cc(=O)c4ccccc4o3)nc12 4121481 HAUKMFCDHPUWPH-UHFFFAOYSA-N 397.412 3.177 50 40 GGGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@@H]1CCCN(c2cnccn2)C1 29756267 JIYFYKBUTPICMV-HXUWFJFHSA-N 385.471 3.262 50 40 GGGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCCCC3)=C2C#N)cc1 8159163 HYEZQWMZBAXOLQ-QGZVFWFLSA-N 399.516 3.170 50 40 GGGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccc(Br)cc1 52712246 AWGHXSMAYRYPHS-RIYZIHGNSA-N 387.233 3.429 50 40 GGGB O=C(N/N=C/c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccncc1 828176 MJARDAQIDQSHOY-LPYMAVHISA-N 399.859 3.332 50 40 GGGB O=C(N/N=C/c1cc2cc3c(cc2nc1Cl)OCCO3)c1ccccc1O 2201802 TVMSRCYWIQWVQL-UFFVCSGVSA-N 383.791 3.129 50 40 GGGB Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)c1c[nH]c2ccccc12 12777219 ZLDXJGHPPXPYFO-UHFFFAOYSA-N 380.429 3.197 50 40 GGGB O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1cc(-c2cccnc2)on1 48326510 FBBCIWZIXBADLD-UHFFFAOYSA-N 382.445 3.142 50 40 GGGB COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 17079797 NRIGQRNNUDTJNJ-ONNFQVAWSA-N 390.804 3.462 50 40 GGGB CCCCCCC(=O)NN/C=C1\C(=O)N(CCCCCC)C(=S)N=C1O 38184148 VZRYNZVFWSOBSJ-YPKPFQOOSA-N 382.530 3.125 50 40 GGGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(O)c(O)c1 1096440 JETOFVZIWUZOBW-QGMBQPNBSA-N 395.278 3.244 50 40 GGGB Cc1c(NC(=O)/C(C#N)=C/c2ccccc2F)c(=O)n(-c2ccccc2)n1C 1452687 QRMMPTZIAKMURH-FOWTUZBSSA-N 376.391 3.169 50 40 GGGB CN1C(=O)/C(=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21 100260390 SWHXUXSLPVWLFM-RBGNBHCBSA-N 395.462 3.490 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)CNc1cccc(C)c1 1052631 MKCVRBVYIWCLLA-KEBDBYFISA-N 376.254 3.328 50 40 GGGB O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1 59515423 CCJUFWNWMCWAIK-GIJQJNRQSA-N 380.629 3.191 50 40 GGGB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccnc2)N2NC=C(C#N)C2=N1 13570552 CAQZRJTXVPNPCZ-FQEVSTJZSA-N 384.443 3.292 50 40 GGGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(F)cc2F)c(OC)c1 5289226 PZKNHEFFPDRXEL-FOKLQQMPSA-N 391.374 3.117 50 40 GGGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1 1062859 LMVLROZSFRDAHA-HXUWFJFHSA-N 388.427 3.416 50 40 GGGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2coc3ccc(F)cc3c2=O)cc1 3176505 FMWCGRLXKGWWNZ-FOKLQQMPSA-N 395.390 3.110 50 40 GGGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1ccc(O)cc1 36093654 ORWVBGMYFSOZKA-OCKHKDLRSA-N 377.238 3.301 50 40 GGGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1cccc(Cl)c1 20209477 KOODDQPARXXWMF-UHFFFAOYSA-N 385.917 3.323 50 40 GGGB CC1=C(C(=O)OCCBr)[C@@H](c2cccc3ccccc23)NC(=O)N1 4492037 FPFZIRJBCHQLBL-MRXNPFEDSA-N 389.249 3.406 50 40 GGGB O=C(CCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O)NCc1ccccc1 4523893 AAMXQDYDIBXIKU-SSDVNMTOSA-N 394.258 3.246 50 40 GGGB C/C(=N\NC(=O)CN1C(=O)COc2ccccc21)c1cc2cc(Cl)ccc2o1 7813989 QWQUEXRMHUZOOT-WSDLNYQXSA-N 397.818 3.352 50 40 GGGB Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 5754037 MQIHSKJWVWMUOQ-HZHRSRAPSA-N 389.411 3.289 50 40 GGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc(OC)c1O 8565883 VAGARWDBLPRPFC-MRXNPFEDSA-N 390.399 3.018 50 40 GGGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 806317 ZYNSZEZCHFPXQR-AWEZNQCLSA-N 378.413 3.143 50 40 GGGB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1O 6049588 FLKIEFSOYTVKOK-ORWNMUSCSA-N 387.867 3.340 50 40 GGGB COc1cc(C(=O)NNC(=O)c2sc(-c3ccccc3)cc2N)ccc1C 14229725 RTXLUYUUNFBDLV-UHFFFAOYSA-N 381.457 3.389 50 40 GGGB Cc1cc(C)c2c(N)c(C(=O)NNC(=O)CCCc3cccs3)sc2n1 8144411 DHXYNKQPFQCXCA-UHFFFAOYSA-N 388.518 3.341 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c(F)c2)cc1 66255810 NONGGXDFGDDVKH-VBKFSLOCSA-N 381.407 3.217 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)CSCc2ccccc2Br)o1 409002986 XRUWIOIYOSFYMK-GIJQJNRQSA-N 396.310 3.492 50 40 GGGB COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)CCCl)cc1 5986247 NPIMYTSNUSBVIW-UHFFFAOYSA-N 385.851 3.089 50 40 GGGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 840407 UCUDWSQDEWJXCO-SECBINFHSA-N 398.202 3.130 50 40 GGGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)c1 6450889 QRFKIVLTIOHQJJ-QGZVFWFLSA-N 393.468 3.406 50 40 GGGB O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc2c(c1)OCCCO2 12061837 TUKZDWWZVRDONH-UHFFFAOYSA-N 376.412 3.005 50 40 GGGB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccco2)[C@@H]3CCC1 61992919 KTMFHSFGNAIASB-VMHRPQTGSA-N 376.460 3.386 50 40 GGGB biogenic CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)CBr)cc1 35604931 ARHJSICESQBFRC-UHFFFAOYSA-N 397.294 3.235 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OC)cc1C)c1ccccc1 408977064 CQVAQSOYUFSGHV-VZMFNRANSA-N 383.448 3.331 50 40 GGGB O=C1Nc2ccccc2/C1=N\NC(=O)c1ccccc1OCc1ccc(F)cc1 6476380 RGCLNYLSBGYLDZ-UHFFFAOYSA-N 389.386 3.491 50 40 GGGB CC/C(C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O)=N\NC(N)=O 4579353 MFKVNILODNXRLM-YQCVNYCESA-N 379.416 3.455 50 40 GGGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCC(=O)O)c(OC)c3)[nH]c2c1 409393470 XOMMBXIZULAVNJ-QPEQYQDCSA-N 379.372 3.108 50 40 GGGB COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(OC)c1O 30937451 RJMFIEZWKIRMRD-ZVBGSRNCSA-N 392.839 3.209 50 40 GGGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccccc1F 58883747 NPFVGSOQUUBPAF-UFWORHAWSA-N 375.201 3.308 50 40 GGGB C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)c1ccc2ccccc2n1 10671585 MYZKAHQSJLFPQC-GFCCVEGCSA-N 391.456 3.106 50 40 GGGB COc1ccc(-n2cccc2/C=N\NC(=O)COc2cccc(N(C)C)c2)cc1 408955677 YKXFUYNLCCVEDB-HAHDFKILSA-N 392.459 3.081 50 40 GGGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 5416931 RZLMZIFZWWESHS-VXLYETTFSA-N 390.237 3.267 50 40 GGGB COc1ccc(-n2cnnc2SCC(=O)NNc2cccc(Cl)c2)cc1 32899986 PQICYQAOCZQDMH-UHFFFAOYSA-N 389.868 3.165 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccccc2Br)c(OC)c1OC 1425072 AWHWAJSPRRXVNF-VXLYETTFSA-N 393.237 3.239 50 40 GGGB COc1ccc(SCC(=O)N/N=C\c2cn(CC#N)c3ccccc23)cc1 107597416 ZWAZRVKORPGYDC-UUYOSTAYSA-N 378.457 3.416 50 40 GGGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 101114935 RGBRVAPMMKLPJP-MHWRWJLKSA-N 382.803 3.185 50 40 GGGB CCn1c(C)cc2c(c1=O)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 2430537 QSOZMIWHWQLYHP-OAHLLOKOSA-N 386.249 3.157 50 40 GGGB O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1Br 5176007 JVZPMAPERYORKZ-REZTVBANSA-N 398.600 3.480 50 40 GGGB O=C(N/N=C/c1ccc(Br)c([N+](=O)[O-])c1O)c1ccc(Cl)cc1 4772786 OQXZHBPMXQOECW-REZTVBANSA-N 398.600 3.480 50 40 GGGB C=CCc1cc(/C=N\NC(=O)Nc2ccc(C)cc2)cc(OC)c1OCC(=O)O 408848795 UJXKPJDGOQEGGF-UUYOSTAYSA-N 397.431 3.351 50 40 GGGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1 880902 HWSXBMURDXTRDK-CIAFOILYSA-N 385.420 3.430 50 40 GGGB CC(C)(C)c1ccc(OCC(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 5031099 ZRIMQDOKBTUKLG-FBHDLOMBSA-N 399.403 3.150 50 40 GGGB COc1cc(OC)cc(C(=O)NNC(=S)Nc2ccc(C(F)(F)F)cc2)c1 17081663 PNZXBHWWTPFBGK-UHFFFAOYSA-N 399.394 3.354 50 40 GGGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1NC(=O)c1ccccc1 8334496 QAGPVGRTQJGMKG-YDZHTSKRSA-N 378.407 3.392 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2C)c(OC)c1 1786132 IULJHNNBSRMRPR-SFQUDFHCSA-N 376.412 3.432 50 40 GGGB CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccccc1 2237316 NPYITBWNSAWPDQ-HXTJDARSSA-N 391.496 3.476 50 40 GGGB COc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 59427780 HSJXCDIHJWMRDN-ZVHZXABRSA-N 385.423 3.314 50 40 GGGB C/C(=C\NNC(=O)CCC(=O)N/N=C(\C)Cc1ccccc1)Cc1ccccc1 9871866 RPEKYORLPIGYEZ-BRDMOXESSA-N 392.503 3.269 50 40 GGGB COc1ccc(C(O)(C(=O)NN=C2CCCCC2)c2ccc(OC)cc2)cc1 1066708 JPSICZGMXPSOSU-UHFFFAOYSA-N 382.460 3.376 50 40 GGGB O=C(NNc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccccc1Cl 7393241 IEVULAFKJFZKQY-UHFFFAOYSA-N 382.786 3.365 50 40 GGGB Cc1cc(C)n(CC(=O)N/N=C/c2c(-c3ccccc3)nc3sccn23)n1 7738607 PCDPWUZDBPTLQK-RGVLZGJSSA-N 378.461 3.026 50 40 GGGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(OC)c2)cc1OC 409334361 LAPSKBHHVBLZBG-NHDPSOOVSA-N 390.823 3.392 50 40 GGGB Cc1nc(C(C)(C)C)nc2sc(C(=O)NNC(=O)c3cccnc3)c(C)c12 27767177 CLHOSKXEPMVFES-UHFFFAOYSA-N 383.477 3.075 50 40 GGGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2cccs2)cc1Cl 101494312 RVWPBBVJHYUEFN-RGVLZGJSSA-N 379.869 3.474 50 40 GGGB C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)NNC(=O)c1ccccc1 7674243 ASRAHSMXHIOXDK-AWEZNQCLSA-N 380.473 3.029 50 40 GGGB CCn1c(C)cc2c(c1=O)[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 2227125 IDRSTXAHAQQYRS-OAHLLOKOSA-N 375.350 3.414 50 40 GGGB COc1ccccc1/C=N/NC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4501727 XMMBZWUAXJXCOX-UFFVCSGVSA-N 381.310 3.315 50 40 GGGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(F)(F)F)cc3)[C@H]2C1 19816623 QWUAEBAKFDUVOW-ZWKOTPCHSA-N 397.404 3.451 50 40 GGGB CC(C)NC(=S)NNC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 25529938 GWGCLBSMRWVSEN-QWHCGFSZSA-N 376.551 3.474 50 40 GGGB Cc1cc([N+](=O)[O-])cc(/C=N\NC(=O)CNc2ccc3ccccc3c2)c1O 36254070 DHLHIZZUIDWOPO-JJFYIABZSA-N 378.388 3.324 50 40 GGGB CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 40119734 JDOPSIGXPFOHCD-UHFFFAOYSA-N 396.472 3.397 50 40 GGGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)ccc1O 8382647 SIAIBXBYDSDFLG-INIZCTEOSA-N 378.363 3.148 50 40 GGGB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCl)[C@@H](c3cccs3)C2)c1 23175904 UUHACYFZKZMLBG-CQSZACIVSA-N 397.909 3.036 50 40 GGGB COc1cc(/C=N/NC(=O)c2cc3cc(F)ccc3nc2C)cc([N+](=O)[O-])c1O 36077537 AWHRYLZWFVRBGS-ZVBGSRNCSA-N 398.350 3.069 50 40 GGGB Cc1cccc(OCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1C 6463680 UHDJZJLKEKBZIS-UHFFFAOYSA-N 377.400 3.067 50 40 GGGB C/C=C/C=C/C(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 28010427 RXGNAGAXAZIEBT-YTXTXJHMSA-N 382.489 3.279 50 40 GGGB O=C(COc1cccc(Br)c1)N/N=C\c1ccc(N2CCCC2)o1 408845670 LCZSPFYXFKOLBZ-ODLFYWEKSA-N 392.253 3.171 50 40 GGGB O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1 5173761 JAIJWDDKSMYXQX-UHFFFAOYSA-N 383.411 3.009 50 40 GGGB C[N+](C)(C)CC(=O)N/N=C(/C=C/c1ccccc1)C[C@H]1OC(=O)c2ccccc21 73331589 UOZWALISYBCCPJ-BJSZCIRESA-O 392.479 3.180 50 40 GGGB CCc1ccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccccc3)C2=O)cc1 2236067 PHDNDLLKAXLBFJ-HGBKYHTQSA-N 377.469 3.161 50 40 GGGB COc1ccc(C(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC 840329 MKOORXPVDYYVNO-UHFFFAOYSA-N 390.439 3.375 50 40 GGGB C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)C(F)(F)F)c1 662687 PEVWHQMKNGEJNR-YVNNLAQVSA-N 394.309 3.250 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc2c(c1)OCO2 59334431 UTINVYWLXNGDPX-MFOYZWKCSA-N 394.427 3.388 50 40 GGGB O=C(CSc1nc2ccc(NC(=O)CCl)cc2s1)NCc1ccco1 59489591 JNUUUBPLSVVRCC-UHFFFAOYSA-N 395.893 3.475 50 40 GGGB CC[C@H]1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O 4295408 RILKQBAOQOJBFI-ORMOWBNMSA-N 385.420 3.329 50 40 GGGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(F)cc2)o1 409077552 FHYBNMVYZWYUGQ-AUEPDCJTSA-N 381.363 3.377 50 40 GGGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1ccc(Br)s1 6602976 GUWRKRCXFHQQQR-UHFFFAOYSA-N 391.649 3.307 50 40 GGGB CN(C)c1ccc(/C=N\NC(=O)c2ccccc2I)cc1 33344721 YIHIZHRBYKZQIS-WQRHYEAKSA-N 393.228 3.121 50 40 GGGB Cc1ccc(/C=N/NC(=O)c2ccn(Cc3cccc(Br)c3)n2)o1 1081906 WLDQUKJMCMKXNL-VXLYETTFSA-N 387.237 3.359 50 40 GGGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 827664 GBOIUFWWBURCLO-HYARGMPZSA-N 399.516 3.223 50 40 GGGB COc1ccc(CSCC(=O)N/N=C/c2ccc(Br)o2)cc1 408997566 RVLJBTPBZFJZMJ-CAOOACKPSA-N 383.267 3.434 50 40 GGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)cs2)cc1C 7813884 OKJMXDXJBJWBFR-REZTVBANSA-N 380.267 3.216 50 40 GGGB C=CCc1cc(/C=N\NC(=O)COc2ccccc2OC)cc(OCC)c1O 408812049 NKBJVBNRDUAGHI-XKZIYDEJSA-N 384.432 3.057 50 40 GGGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccco2)cc1 409012541 KDUMZHOQZKOBIX-XKZIYDEJSA-N 377.400 3.369 50 40 GGGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408742427 AHXSREJMIHZGND-YBEGLDIGSA-N 380.400 3.101 50 40 GGGB COc1ccc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c(OC)c1 6189265 FOSYVRXAWCOFOU-YDZHTSKRSA-N 392.459 3.329 50 40 GGGB COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 1055365 AOELCASBBRMISX-UHFFFAOYSA-N 389.411 3.022 50 40 GGGB O=[P@]1(N2CCOCC2)N=C(c2ccccc2)N=C(C(Cl)(Cl)Cl)N1 102138356 DICOMPOEIBHIEC-HSZRJFAPSA-N 395.614 3.245 50 40 GGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N32)cc1 12275017 AFPIWUYFAAXWKC-UWJYYQICSA-N 396.443 3.477 50 40 GGGB CC1(C)CC(=O)C/C(=N\NC(=O)c2ccccc2I)C1 100542577 HZEBCUDYKFEQDQ-LICLKQGHSA-N 384.217 3.156 50 40 GGGB C[C@H](Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)C(=O)O 59302203 QYYHJYGJTOCFSO-VSMYLPJWSA-N 391.221 3.065 50 40 GGGB Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)c(C)c1C 12814525 YCWPKKAHJGNGHB-UHFFFAOYSA-N 385.489 3.333 50 40 GGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)cc2c1OCO2 5130144 MNMPWITYZHFOAG-MRXNPFEDSA-N 388.383 3.032 50 40 GGGB biogenic,in-vitro CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)O 408744485 LMSOWAOOHMBCNW-YBEGLDIGSA-N 380.400 3.403 50 40 GGGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1 409085516 DCSYFPLUMKQOHY-CIAFOILYSA-N 378.388 3.472 50 40 GGGB Cc1c(C(=O)NNS(=O)(=O)c2ccc(F)c(Cl)c2)oc2ccccc12 7380372 HZHIKCWMQGQEMS-UHFFFAOYSA-N 382.800 3.157 50 40 GGGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccccc1NC(=O)c1ccco1 409003038 QTVJXUIOPGVFIS-OUKQBFOZSA-N 375.384 3.006 50 40 GGGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)Nn2c(C)ccc2C)c2ccccc21 409380547 NJOZUZAARMFLJY-GZTJUZNOSA-N 390.443 3.300 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCc1ccccc1 33385605 LNMJPPGVMQDMSB-UYRXBGFRSA-N 378.428 3.040 50 40 GGGB Cc1cc(C)cc(OCC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 4036645 OOLLRDQWCLYNSR-UHFFFAOYSA-N 390.867 3.179 50 40 GGGB CCCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21 6778302 KSICARVLKQHYRW-FLFQWRMESA-N 379.460 3.431 50 40 GGGB C#CCn1cc(/C=N\NC(=O)COc2cccc3cccnc23)c2ccccc21 6943567 LONDBUMELLWCNR-QFEZKATASA-N 382.423 3.352 50 40 GGGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccccc1OC 627995 GEPPEQJZLMYXPS-SFHVURJKSA-N 376.412 3.477 50 40 GGGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1 653540 LHKLSNTUBPSXOR-HZHRSRAPSA-N 398.459 3.268 50 40 GGGB COC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1 107650844 RQGJZZBJGWWAFU-YDZHTSKRSA-N 392.411 3.164 50 40 GGGB O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)Nc1cccc(Br)c1 408905429 YMBFXZPGJFOQCP-PXNMLYILSA-N 379.170 3.219 50 40 GGGB COc1ccc(/C=C/C(=O)NCC(=O)N/N=C(/C)c2ccc(Cl)cc2)cc1 4827142 RMHDJSCBAHAMAP-FHUMDEGDSA-N 385.851 3.018 50 40 GGGB C/C(Cn1cccn1)=N/NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 17079090 MWHVCACCXZOCCN-IWIPYMOSSA-N 387.447 3.040 50 40 GGGB CC(C)=NNC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409029124 WNFNQXRMEGKKHB-HNNXBMFYSA-N 389.477 3.145 50 40 GGGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)cc1 408812560 MBUXPXJJEXGWMA-MDWZMJQESA-N 386.791 3.358 50 40 GGGB O=C1C=C(NNC(=O)c2cccc(Br)c2)C[C@@H](c2ccco2)C1 408751422 PGPPKOXGYMKRLT-GFCCVEGCSA-N 375.222 3.307 50 40 GGGB COc1cc2c(cc1/C=N/NC(=O)Cc1cccc(C(F)(F)F)c1)OCO2 409067815 RHVQXTWUPHYUPH-LSFURLLWSA-N 380.322 3.136 50 40 GGGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 36665000 RJJKCTJMSXRZLT-XMOVILSBSA-N 378.388 3.404 50 40 GGGB COc1cc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)cc(OC)c1O 826806 IKDHLCUYTPUQLU-SSDVNMTOSA-N 386.448 3.370 50 40 GGGB O=C1S[C@H](Nc2ccc(Br)cc2)C(=O)N1CCBr 12113058 VUKBUAFWKBBVKB-VIFPVBQESA-N 394.088 3.277 50 40 GGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc(OC)c1OC 40753821 BESZSCNYYFOWEE-SFHVURJKSA-N 377.400 3.412 50 40 GGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 59433312 BDOYCVLQSXZDEA-CIAFOILYSA-N 393.355 3.246 50 40 GGGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 2229230 SBQVYEPLVKXTBW-NRFANRHFSA-N 399.450 3.432 50 40 GGGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(C)c(Br)c1 409259507 ZXLQBGWFGFDFOM-GIJQJNRQSA-N 392.209 3.438 50 40 GGGB N#C/C(=C\c1ccc(I)o1)C(=O)NCc1ccccc1 408739361 BFWSRFFZZBQDPY-XYOKQWHBSA-N 378.169 3.108 50 40 GGGB O=C(N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1)C(=O)NC1CC1 408706961 FULDIUILBRFXIK-UFFVCSGVSA-N 391.258 3.466 50 40 GGGB C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OC)c1O 409022129 FQLLJWHKQFVFFN-CFRMEGHHSA-N 391.427 3.207 50 40 GGGB COc1cc2c(cc1OC)C1=C(C#N)CN(CCc3ccccc3)CN1CC2 19908767 KHWUKTXVRSPFFM-UHFFFAOYSA-N 375.472 3.312 50 40 GGGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N32)c1 12275360 RWJBCAFYGJFPLY-UTKZUKDTSA-N 396.443 3.477 50 40 GGGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC 59417028 PHOCFBBVTRCNOG-RGVLZGJSSA-N 385.445 3.478 50 40 GGGB O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)Nc1ccc(Br)cc1 408963832 POVOMNGDQOCQOJ-PXNMLYILSA-N 379.170 3.219 50 40 GGGB N#C/C(=C\c1c(F)cccc1F)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 13140901 RAOMYAPWJFNDFP-UXBLZVDNSA-N 387.298 3.190 50 40 GGGB C/C(=N\NC(=O)CNc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 409354675 BAVUYZFSGIMMAH-YBFXNURJSA-N 391.225 3.310 50 40 GGGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OC 409322535 KGPBEWDSLBCWJZ-HMAPJEAMSA-N 384.432 3.431 50 40 GGGB C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 32467462 PADNOIQJYWSNMF-LBPRGKRZSA-N 385.807 3.224 50 40 GGGB COc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 98087095 HGDHWPRQQKKRRS-ZVHZXABRSA-N 385.423 3.314 50 40 GGGB NC(=O)CCn1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c2ccccc21 7099041 OVYCOEODKYRBAC-CVKSISIWSA-N 398.466 3.363 50 40 GGGB Cc1cccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccco3)c2)c1 1437649 QGQUPINIOLRCME-LPYMAVHISA-N 378.384 3.336 50 40 GGGB CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2C)C(=O)N1c1ccccc1 2369539 FPTLHLFNPXMMIG-DTBMRADHSA-N 377.469 3.167 50 40 GGGB C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)C12CC3CC(CC(C3)C1)C2 100090195 LHORRDKGQIJSHU-ZMOGYAJESA-N 397.475 3.452 50 40 GGGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2coc3cc(C)ccc3c2=O)cc1 1881797 JBCMCRKSBNDKAC-FSJBWODESA-N 391.427 3.279 50 40 GGGB N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@@H]1c1ccccc1 6495910 NAWJTUWRNPYLAE-QGZVFWFLSA-N 377.469 3.075 50 40 GGGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N32)c1 12276212 HDIIJLLLBVZTDC-HRAATJIYSA-N 396.443 3.477 50 40 GGGB Cc1nn(-c2ccccn2)c2c1C(Cl)=C(/C=N/NC(=O)c1ccncc1)CC2 643857 OLVLEBOWAULEJY-WYMPLXKRSA-N 392.850 3.283 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br 4106965 YNHUKYWGFOUZSC-UFFVCSGVSA-N 389.228 3.290 50 40 GGGB C/C(=N\NC(=O)CNc1ccc(I)cc1)c1cccs1 409184701 ZGZNNEWTZSLVEY-LICLKQGHSA-N 399.257 3.305 50 40 GGGB COc1ccc(Br)cc1C(=O)N/N=C(\C)c1ccc(O)cc1O 408710840 OMAURNNMJNSVKU-GIJQJNRQSA-N 379.210 3.023 50 40 GGGB CCOc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC 408753475 MYEWBRPEPIZQRW-YDZHTSKRSA-N 379.416 3.171 50 40 GGGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccccc1-n1cccc1 409100255 TYVXOLKPQKLLOU-JJIBRWJFSA-N 388.471 3.386 50 40 GGGB CCOc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccccc2)CC1 409004861 FTNLERZGYFEPEP-XQNSMLJCSA-N 379.460 3.088 50 40 GGGB Cc1cc(C)c(OCC(=O)N/N=C/c2ccccc2O)c(Br)c1 805109 JXVBRKARUYOSPH-DJKKODMXSA-N 377.238 3.301 50 40 GGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Cl)cc(Cl)c1O 4132038 GNCJSBNVRBKRAW-CNHKJKLMSA-N 384.175 3.136 50 40 GGGB CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(O)=Nc3ccc([N+](=O)[O-])cc32)cc1 8557459 PXDDEDXKPDWMTC-UHFFFAOYSA-N 396.403 3.393 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(C)cn23)cc1OC 59444045 HYPNIMQAWJLFSB-WSDLNYQXSA-N 378.432 3.288 50 40 GGGB COc1ccc2ccccc2c1/C=N/NC(=O)Cn1ccc(C(F)(F)F)n1 3289186 ZEFSKEJHJZQRAB-LSHDLFTRSA-N 376.338 3.214 50 40 GGGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(N(CC)CC)cc1O 5261357 FUYWDZUJSJTMHM-HYARGMPZSA-N 385.464 3.166 50 40 GGGB CCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408613024 YIVKKHOQRWKKBN-LSHDLFTRSA-N 394.258 3.159 50 40 GGGB COc1cc(/C=N/NC(=O)c2n[nH]c3c2C[C@@H](CC(C)(C)C)CC3)ccc1O 1108204 JUCYFSMCWJSBGR-AEOXGOBCSA-N 384.480 3.429 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccco1 1425017 MXCUEUKDKVXRIO-FSJBWODESA-N 393.399 3.365 50 40 GGGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)c(Cl)c3)[C@H]2C1 22000815 MMDTVRCLFDDTRG-WMLDXEAASA-N 384.270 3.349 50 40 GGGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccc(Br)c1 59515537 UYBMHVHSXGLHQU-DJKKODMXSA-N 394.656 3.500 50 40 GGGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccccc1Br 3236984 BVXJYLXSHDCPGP-WOJGMQOQSA-N 394.294 3.111 50 40 GGGB CC(C)CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408817423 UAASCZUKPXGQQD-LDADJPATSA-N 377.444 3.383 50 40 GGGB C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)Cc1ccccc1Cl 8752648 YTMULVCWWIRFQZ-LLVKDONJSA-N 388.880 3.140 50 40 GGGB N#Cc1ccc(OCC(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 6602557 IYCVCLFLFPZQFP-UHFFFAOYSA-N 379.203 3.097 50 40 GGGB O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 5772996 QRBOAGKAZWBCIZ-UHFFFAOYSA-N 375.384 3.188 50 40 GGGB COc1c(Br)cc(C(=O)Cl)cc1I 26508577 VSSBZDZJJGQRTM-UHFFFAOYSA-N 375.387 3.441 50 40 GGGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccco1)c1ccccc1 409224921 NSFBNIGJWFKPHU-NDENLUEZSA-N 379.328 3.171 50 40 GGGB C=CCOc1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC 409131238 NTZGHFXRPVEPCF-FQEVSTJZSA-N 379.460 3.380 50 40 GGGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@@H]1c1ccc(Cl)cc1Cl 5567984 JJNDNGHKOMXXBV-NRUUGDAUSA-N 377.153 3.265 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1O 6145876 RRRQVEZRUDFGAQ-OEAKJJBVSA-N 389.411 3.417 50 40 GGGB OP(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 103625356 XFRBKSOIRNHMSA-UHFFFAOYSA-N 382.093 3.418 50 40 GGGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](c1ccc(O)cc1)C(C#N)=C(N)O2 1471902 IOIFCNULFAOTSC-HXUWFJFHSA-N 385.423 3.129 50 40 GGGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccco2)c1C 409001865 XDZHOQOXWWFQDY-RGVLZGJSSA-N 382.376 3.368 50 40 GGGB COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1O[C@H](C)C(=O)O 409233980 VDKAZHKAEWAYRD-JMKVTYIUSA-N 392.411 3.464 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)cc1 408908238 QPISRQZJCKAGCN-OGTCDWKQSA-N 397.475 3.283 50 40 GGGB Cc1cc(C)cc(-n2ccnc2SCC(=O)NNC(=O)c2ccccc2)c1 7898529 ZYAOIDZCQHXBOA-UHFFFAOYSA-N 380.473 3.042 50 40 GGGB COc1cccc(-c2[nH]nc3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)c1 17208190 FOGPGXKJODSMBE-INIZCTEOSA-N 389.371 3.212 50 40 GGGB CCOC(=O)c1[nH]c2c(c1C)/C(=N/NC(=O)NCC(F)(F)F)CC(C)(C)C2 102140539 RTVCHOHEEWVHOL-FOKLQQMPSA-N 388.390 3.038 50 40 GGGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OCC)cc2)cc1 20197297 HENPZOZFBWIFFO-HYARGMPZSA-N 384.432 3.181 50 40 GGGB COc1ccccc1NC(=O)N/N=C\c1cccn1-c1cccc(C(=O)O)c1 409106945 NMXIVVWWEOTXBM-BKUYFWCQSA-N 378.388 3.340 50 40 GGGB COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)ccc1C 408602254 BFVUIQCUSDQLRL-QGZVFWFLSA-N 398.488 3.340 50 40 GGGB COC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1 409121090 YBENMTFTZSTIAT-FYJGNVAPSA-N 386.473 3.179 50 40 GGGB C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N\NC(=O)c1cccc(C)c1O 5508966 JMUYBYIZJZHVPQ-FYJGNVAPSA-N 384.392 3.052 50 40 GGGB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)CBr)cc21 8961216 XIBMCEGJGXZPKI-UHFFFAOYSA-N 383.223 3.139 50 40 GGGB CCOC(=O)C1=C(Nc2ccccc2)SC/C1=N/NC(=O)Cc1ccccc1 104288502 RMOKILWUPSTESX-QJOMJCCJSA-N 395.484 3.335 50 40 GGGB COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 3085824 UOTYRADRFCUMSF-DOZBRYHWSA-N 387.439 3.317 50 40 GGGB CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 408807772 ORDXMECPJPMKBC-UOBPLZBXSA-N 391.471 3.374 50 40 GGGB CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cccc1c32 95115716 QLNUEKFAHRWHDF-HSZRJFAPSA-N 387.439 3.198 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 408970512 ARKIIIONUNSXJU-WYMPLXKRSA-N 396.397 3.461 50 40 GGGB COC(=O)[C@H]1C(=O)NC(SCCc2ccccc2)=C(C#N)[C@H]1c1ccccc1 409148792 RTNMZDDMBDXKSU-RTBURBONSA-N 392.480 3.400 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 59333611 LDUMWUBUVRNOOL-YBEGLDIGSA-N 381.388 3.178 50 40 GGGB COc1ccccc1NC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 15933751 QLTPFCPWAZGCMR-AWEZNQCLSA-N 379.416 3.469 50 40 GGGB N#C/C(=C\c1ccncc1)C(=O)Nc1cccc(I)c1 408886007 CQPVEZPKPDDMGQ-XYOKQWHBSA-N 375.169 3.232 50 40 GGGB CCCC[C@@H](C[C@@H](O)COCC(C)C)C(=O)NNC(=S)Nc1ccccc1 8691027 CJRFZUOUSOMGQN-FUHWJXTLSA-N 395.569 3.234 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1Br 409195362 HYODGCMXKSGBKJ-VRCTWVPOSA-N 385.265 3.273 50 40 GGGB CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 409007493 WVDJANGEQOKKGR-LFVJCYFKSA-N 393.487 3.396 50 40 GGGB COc1ccc(O)c(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 6189198 KNAUJGDFFSBANP-WSDLNYQXSA-N 378.432 3.026 50 40 GGGB Cc1ccc(-c2cc(C(=O)NNC(=O)c3cccnc3)c3c(C)noc3n2)s1 14221288 IAFWTNOUDUEHTL-UHFFFAOYSA-N 393.428 3.038 50 40 GGGB Cc1ncc(CBr)c(=N)n1CC(=O)c1ccc(Br)cc1 107596305 NDSDLPWRWGCINX-UHFFFAOYSA-N 399.086 3.211 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1OC 1295712 LCELRQIEYPPLOF-DNTJNYDQSA-N 397.214 3.473 50 40 GGGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(I)o2)c1 408760675 CVYNMLOQLXXNKC-YFHOEESVSA-N 394.168 3.438 50 40 GGGB O=C(NNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccccn1 44774315 PBKAAJJAOYBWRM-ZIAGYGMSSA-N 378.457 3.202 50 40 GGGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(C)oc2C)c(Br)c1 40140334 SWMKUARJSQNQIU-GFCCVEGCSA-N 395.253 3.196 50 40 GGGB COC(=O)c1c(NC(=O)CCl)sc(C(=O)Nc2ccc(F)cc2)c1C 871369 ZYWSSQWKFXMVIJ-UHFFFAOYSA-N 384.816 3.412 50 40 GGGB O=[N+]([O-])c1ccc(Cl)c(P(=O)(O)c2cc([N+](=O)[O-])ccc2Cl)c1 1725596 UXEUILWCVLVVCL-UHFFFAOYSA-N 377.076 3.031 50 40 GGGB CCc1cccc2c(/C=C(\C#N)C(=O)NC3CC3)cn(CC(=O)N3CCCC3)c12 6567949 SQAUVAJSMYEULR-SFQUDFHCSA-N 390.487 3.012 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(N)=O 409215552 BARAJEHEATUZBS-YVLHZVERSA-N 393.443 3.112 50 40 GGGB C/C(=N\NC(=O)CC12CC3CC(CC(C3)C1)C2)c1cccc(-n2cnnn2)c1 15354105 NUKQVFPCARRJRB-OEAKJJBVSA-N 378.480 3.109 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1O 67005867 ILIJFVTVXCIGTM-AUWJEWJLSA-N 387.233 3.387 50 40 GGGB Cc1occc1C(=O)NNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 40128903 ASDDRZORFXVJML-UHFFFAOYSA-N 395.463 3.348 50 40 GGGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OC 681283 MQLBQMFOFQRMHM-WSDLNYQXSA-N 396.399 3.147 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1cccc(C(F)(F)F)c1 14377944 WNFVZJUDJHIAEO-UHFFFAOYSA-N 386.757 3.371 50 40 GGGB CCCCCCC(=O)NN/C=C1\C(=O)N(c2ccccc2Cl)C(=O)N=C1O 9087120 RWURFLYTQJNDPF-QXMHVHEDSA-N 392.843 3.238 50 40 GGGB CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1O 409351891 XJGOPMXVEHMBOV-KEBDBYFISA-N 392.253 3.116 50 40 GGGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Br)c([N+](=O)[O-])c2)n1 408980427 WOPVXUYMPQVWLO-WUXMJOGZSA-N 375.182 3.418 50 40 GGGB COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)ccc1O 871056 ZAIRLZNLXJHVIJ-SRZZPIQSSA-N 381.457 3.500 50 40 GGGB COc1cccc(/C=N\NC(=O)Cc2ccc(Br)cc2)c1OC 13595632 UEOWTUZZFJXMDJ-ODLFYWEKSA-N 377.238 3.159 50 40 GGGB COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1 2587905 USZWHSGSKKJVCH-FQEVSTJZSA-N 388.427 3.416 50 40 GGGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccc([N+](=O)[O-])cc2)c1C 5674566 CSHXIXFTETYBFF-WOJGMQOQSA-N 383.404 3.310 50 40 GGGB CC(C)NC(=S)NNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 25529933 GWGCLBSMRWVSEN-CHWSQXEVSA-N 376.551 3.474 50 40 GGGB COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 24228840 ABBCLNLFUDYILY-GZTJUZNOSA-N 382.420 3.062 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OC 5915616 RUJQSVAVXVIQRC-DJKKODMXSA-N 381.201 3.369 50 40 GGGB O=C1C(=Cc2ccccc2O)SC(=S)N1CN(CCCl)CCCl 2049236295 LGVPALCBRFUQSV-UHFFFAOYSA-N 391.345 3.331 50 40 GGGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(I)o1 1424099 AALRTUCOYBPTOF-CAOOACKPSA-N 398.200 3.030 50 40 GGGB Cn1c(CC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc21 12541877 UZQNHIUKEDOIDB-UHFFFAOYSA-N 384.439 3.244 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1O)c1cccc(NC(=O)c2ccccc2F)c1 1434170 GQJAVVCQVWAPLH-FSJBWODESA-N 393.374 3.253 50 40 GGGB CCc1ccc(NC(=O)COC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1 6343504 OTBKCTQPEFTQGB-SXGWCWSVSA-N 378.384 3.067 50 40 GGGB CCOC(=O)N1CCC(=NNC(=O)COc2ccc(C)cc2C(C)C)CC1 4863443 KJDFLNGSETVORZ-UHFFFAOYSA-N 375.469 3.222 50 40 GGGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc2ccccc2cc1O 408994870 HKNYMDVPBFAABU-CIAFOILYSA-N 378.388 3.284 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCc1ccc(F)cc1 40007454 ARKVZLUYSKWWME-LDADJPATSA-N 398.434 3.473 50 40 GGGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2C)cc1 1240766 DDRXPCATBFODOO-XKZIYDEJSA-N 396.472 3.131 50 40 GGGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1O)c1ccc(F)cc1 1434152 QTPKHGHMRWNYGT-FSJBWODESA-N 393.374 3.253 50 40 GGGB COc1ccc(/C=N/NC(N)=O)cc1OCc1ccc(Br)cc1 59445142 ACYYZJPDXUIIPH-DJKKODMXSA-N 378.226 3.039 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2C)C(=O)N1c1ccc(C)cc1 35110159 PBNXPMJVICQOMP-SBOLGIJOSA-N 391.496 3.476 50 40 GGGB O=C(N/N=C1/C[C@H]2CC=C[C@@H]12)c1ccc(NS(=O)(=O)c2cccs2)cc1 36187562 FOURUXXKOVJJRM-YOUCSZFUSA-N 387.486 3.231 50 40 GGGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 2502520 KLMLIJKBLVMPBY-HXUWFJFHSA-N 380.400 3.431 50 40 GGGB O=C(NCc1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(Cl)cc1 408718208 AUENLASGFGFQKH-WNFQYIGGSA-N 384.650 3.413 50 40 GGGB Nc1ccc(C(=O)N/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1 104332315 AOWKPAWXZIGNML-XKZIYDEJSA-N 379.291 3.317 50 40 GGGB C#CCOc1c(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc(Br)cc1OC 408806957 BQSZBSBRCWGOQO-ACLQVGRQSA-N 391.265 3.291 50 40 GGGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 2312570 NQDUQBKKXDZQPU-CQSZACIVSA-N 389.433 3.010 50 40 GGGB COC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2ccccn2c1=O 4205502 WMOXMCPCVNPBCN-RVDMUPIBSA-N 375.384 3.184 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OC)c([N+](=O)[O-])c1 4549033 MEUKUMJHFKRKHR-UKTHLTGXSA-N 383.360 3.166 50 40 GGGB COc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2C)cc1OC 9111440 WNBCISALQRUWME-GOSISDBHSA-N 381.457 3.312 50 40 GGGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33731747 ZCHGEJHIZQVZAZ-UFFVCSGVSA-N 384.461 3.096 50 40 GGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)ccc2OC)cc1 408761479 FWXZFGSNBFFQMX-LFIBNONCSA-N 380.400 3.426 50 40 GGGB Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(C)c1O 6202627 BBCJDQGUSCHHJX-DJKKODMXSA-N 377.238 3.301 50 40 GGGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cccnc3)c2C)cc1 31839353 ZMVAUDRSTIPEAZ-OYKKKHCWSA-N 390.443 3.430 50 40 GGGB C=CCN1C(=O)/C(=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 46085010 CRMTYUPAJJGSRX-NJNXFGOHSA-N 391.471 3.416 50 40 GGGB O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(C(=O)N/N=C/[C@@H]2C[C@H]3C=C[C@H]2C3)o1 102626024 AFAUUXNDJLKADH-IARIUMQVSA-N 392.459 3.135 50 40 GGGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccnc2)cc1OC 28217897 PANNJDBQQXGCNE-KEBDBYFISA-N 390.237 3.181 50 40 GGGB Cc1c(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(Cl)nn1-c1ccccc1 408892626 IRISBKBMHYFIDR-NMONLQQWSA-N 396.834 3.124 50 40 GGGB CCOC(=O)Cn1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c2ccccc21 9113711 XZPDPWNNEDERAU-NVBPRDNFSA-N 381.476 3.481 50 40 GGGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(OC)c1 408676533 KEUPZVXMIDFCRM-HYARGMPZSA-N 383.448 3.077 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)NC(C)C)c(C)n1-c1ccccc1C(F)(F)F 2054012 RNKGMYKRPHHTIS-AUEPDCJTSA-N 394.397 3.088 50 40 GGGB C/C(=N\NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 5725232 NPIYVTIOLCQSIQ-CJLVFECKSA-N 380.448 3.347 50 40 GGGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c([N+](=O)[O-])cc1OC 670337 WVJKHYWJPATEAC-SRZZPIQSSA-N 395.371 3.235 50 40 GGGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 23358595 FTHBXHILLJJOJG-HAVVHWLPSA-N 381.476 3.072 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OC 4702547 ULVBZRSDJMJVRT-YBFXNURJSA-N 377.238 3.159 50 40 GGGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 409361999 RORFZUQEDARELQ-FOKLQQMPSA-N 381.363 3.346 50 40 GGGB C/C(=N\NC(=O)COc1ccc(Br)cc1)c1ccc2c(c1)OCO2 4964928 LLSUAYUIJJTGJI-YBFXNURJSA-N 391.221 3.097 50 40 GGGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccccc2CC)cc1 4416829 ZGMPOUYLJYMFIY-MFKUBSTISA-N 394.475 3.271 50 40 GGGB C=CCOC(=O)C[C@H](C(=O)OCC=C)P(OCCCl)OCCCl 4758207 XRDRHBFSFKXWRZ-GFCCVEGCSA-N 387.196 3.026 50 40 GGGB CCNC(=O)NNC(=O)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 22873075 CTTMRXOJYGWCQE-UHFFFAOYSA-N 386.761 3.385 50 40 GGGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 59426197 ADLKUPVBVJELJE-CIAFOILYSA-N 378.388 3.472 50 40 GGGB C[C@@H](SC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1)C(=O)Nc1ccccc1Cl 12622492 FJLJRYJSNWXEGG-GHMZBOCLSA-N 388.880 3.431 50 40 GGGB CC(=O)Nc1ccccc1[P@@](=O)(c1ccccc1)c1ccccc1OC(C)=O 17544512 NYJGIOQAJBYYBQ-NDEPHWFRSA-N 393.379 3.210 50 40 GGGB CCOc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(C)cc3)c2CC)cc1 12983742 VNFXJZLLSYBYBP-UHFFFAOYSA-N 392.459 3.217 50 40 GGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 5196049 AIGOXBIVXIVAEC-GOSISDBHSA-N 395.371 3.500 50 40 GGGB CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 7907377 WSHDQLQXTUSKDK-CQSZACIVSA-N 385.489 3.315 50 40 GGGB COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3o2)cc1OC 28351987 NOSOWFPGWKOSCU-MTJSOVHGSA-N 385.445 3.478 50 40 GGGB O=C(NNc1cc(N2CCCC2)nc(N2CCCC2)n1)c1ccc(Cl)cc1 41078042 LMYQIAMICWELEC-UHFFFAOYSA-N 386.887 3.087 50 40 GGGB CCCCCOc1ccc(CN2C(=O)/C(=N\NC(N)=O)c3ccccc32)cc1 46085086 QJMFNSVKNJCVMX-NMWGTECJSA-N 380.448 3.175 50 40 GGGB COc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 2627121 CJMCVTBBSZHGGS-UHFFFAOYSA-N 376.412 3.349 50 40 GGGB COc1cc(C)ccc1OCC(=O)NNC(=O)c1cc(Cl)ccc1Cl 6784941 KXEFONAAUPJMNI-UHFFFAOYSA-N 383.231 3.150 50 40 GGGB N#CC(C(=O)CN1CCN(c2ccccc2Cl)CC1)=C1Nc2ccccc2N1 35296274 KMKMQHLYUNUYKY-UHFFFAOYSA-N 393.878 3.304 50 40 GGGB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 2100815 PSRRYODZTSVIIV-NTOSSWPYSA-N 392.755 3.074 50 40 GGGB Cc1ccc2nc(COc3ccc(C(=O)NNC(=O)OC(C)(C)C)cc3)cn2c1 10889806 SYXSQAMEHMIJEB-UHFFFAOYSA-N 396.447 3.391 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 409006428 NUOPLMMHELFHDO-LPYMAVHISA-N 385.851 3.048 50 40 GGGB COc1cc(/C=N\NC(=O)Nc2cc(C)cc(C)c2)ccc1O[C@@H](C)C(=O)O 409010090 JLXRVDXKTDSOSH-LRXPYSHVSA-N 385.420 3.320 50 40 GGGB C/C(=N/OCC(=O)N/N=C/c1cc(Br)ccc1O)c1cccs1 5975784 GGQQPSWSSLMXKV-XTJXOQOESA-N 396.266 3.107 50 40 GGGB C/C(CC(=O)Nc1cccc(Br)c1)=N\NC(=O)c1cccc(O)c1 101105295 RCNYCOHNGAQWDB-RGVLZGJSSA-N 390.237 3.289 50 40 GGGB COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(OC)c(OC)c1OC 662750 QYRGESPTQSUIPA-KEBDBYFISA-N 378.812 3.138 50 40 GGGB Cc1ccc2nc(CNC(=O)NNc3ccc(OC(F)(F)F)cc3)cn2c1 57227246 ZJHVYTLLJMXBBE-UHFFFAOYSA-N 379.342 3.368 50 40 GGGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)c1C 6984095 KGBGOANAMCAZKO-CYBMUJFWSA-N 396.365 3.431 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(N)=O 409203049 VUQQDEUSIRGOHA-YVLHZVERSA-N 393.443 3.112 50 40 GGGB CCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 819731 SNWTVPKMNBDZRC-TTXZLZEXSA-N 379.460 3.151 50 40 GGGB O=C(CCCOc1cccc(Br)c1)NNC(=O)c1ccccc1F 2639767 RAJGSKUBLUBKGD-UHFFFAOYSA-N 395.228 3.208 50 40 GGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc(Br)ccc1O 6888759 UOPPXOKYCZDRPW-REZTVBANSA-N 398.600 3.480 50 40 GGGB CC[C@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 2750278 JFUUPMKFCSMGLK-XYHOIZSOSA-N 391.855 3.404 50 40 GGGB CC(=O)N/C(O)=C(\C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 105347342 BOIYOQWZRDMMAP-FCQUAONHSA-O 387.399 3.367 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)[C@H](OC)c1ccccc1 59371311 DAWWVJCMXDWFKN-YDDPGSGASA-N 377.238 3.296 50 40 GGGB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccncc2)cc1 6049141 AIOVJQSOWHIVCK-BLHGMKRPSA-N 394.475 3.014 50 40 GGGB N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(C(=O)O)cc1 408542539 MBWKQHMPJFHSOG-BOPFTXTBSA-N 379.372 3.194 50 40 GGGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 408883753 WJMYQTXZUJWROF-MDWZMJQESA-N 383.360 3.166 50 40 GGGB O=C(N/N=C/c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409258439 XBDSCKBBHUDEOO-IMRMQAIZSA-N 376.243 3.497 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1OCC 8108543 WRRJXNQZLGOSHF-CCULFSDZSA-N 384.432 3.164 50 40 GGGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc2)n1 5739903 QEDUXRMYOFZKCZ-OEAKJJBVSA-N 375.476 3.378 50 40 GGGB Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(Cc3ccccc3)CC2)cc1C 20403647 BXNYFZBWKCJWIB-OQKWZONESA-N 395.528 3.260 50 40 GGGB CC(=O)OCc1c(C)cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C 2771723 LEZUMWJVALLKFT-FQEVSTJZSA-N 380.444 3.490 50 40 GGGB CCOc1cc(C(=O)NNC(=O)C[C@@H]2C=CCC2)cc(OCC)c1OCC 8141131 UAJMWGBMKKZOCO-CQSZACIVSA-N 376.453 3.000 50 40 GGGB COc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccc(C)cc1 657932 PORFRVQAZBXIAE-AWQFTUOYSA-N 392.253 3.347 50 40 GGGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(Br)cc1 101065597 ZLHSKNAVQLIISW-VCHYOVAHSA-N 391.225 3.187 50 40 GGGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccccc1Br 2306246 IDIUBMVZBQBXNI-ZDUSSCGKSA-N 397.656 3.313 50 40 GGGB O=C(Cc1csc(-c2ccccc2)n1)NNC(=O)c1c[nH]c2ccccc12 17522940 WUQNJHYHZQXPGZ-UHFFFAOYSA-N 376.441 3.295 50 40 GGGB C#CCOc1ccc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 409096419 KASMOBHPRMMXAR-LJQANCHMSA-N 380.787 3.299 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1O 409261569 DBVUKEZGGPEIJP-CIAFOILYSA-N 385.420 3.299 50 40 GGGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccncc2)cc1 977345 IDNLLMLUHJTAFR-YDZHTSKRSA-N 375.384 3.123 50 40 GGGB C[C@H](Sc1ncnc2c1cnn2C)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104757868 FMEOVFNLJOLHMT-NRKMXEHJSA-N 394.485 3.366 50 40 GGGB Cc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)cc1C 20208696 DSDLSMHVKDIDIX-UHFFFAOYSA-N 379.526 3.286 50 40 GGGB O=C(NNc1ccccc1[N+](=O)[O-])C1CCN(c2nc3ccccc3o2)CC1 14217526 PGNMFPBXKWNRNO-UHFFFAOYSA-N 381.392 3.096 50 40 GGGB O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408974212 XCMXGKOYVMXWAG-ODCIPOBUSA-N 385.729 3.153 50 40 GGGB CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1cc(Cl)cc(Cl)c1 408784313 QIVFCYMCIVRGRS-UHFFFAOYSA-N 392.308 3.196 50 40 GGGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccc(Cl)cc1Cl 6241794 ZCSVHHKLFSKVAD-WPZNHYQYSA-N 390.270 3.460 50 40 GGGB Cc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccccc43)C3=C2CCCC3=O)cc1 4417968 FLCIFRDPWCJAES-XMMPIXPASA-N 396.450 3.406 50 40 GGGB Cc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1Cl 102622773 NXCCJOCNSXHYLU-OEXQXWKBSA-N 384.657 3.158 50 40 GGGB COc1ccc(/C=N/NC(=O)CNc2cccc(Br)c2)c(OC)c1 2744463 IVZOBGMRAVKHHB-KEBDBYFISA-N 392.253 3.029 50 40 GGGB COc1ccc(C(=O)N/N=C\c2ccc(Br)c([N+](=O)[O-])c2)cc1 38633903 BREBWSALURHTGV-MFOYZWKCSA-N 378.182 3.130 50 40 GGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c1C#N 408735168 KXKZIMMNGDGQNH-FOKLQQMPSA-N 380.448 3.061 50 40 GGGB COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 16409619 FVXYCJCKCSGCKU-GZTJUZNOSA-N 384.407 3.083 50 40 GGGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 6180469 KCPNICAAZSYYQQ-ZVBGSRNCSA-N 397.309 3.395 50 40 GGGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 6363471 KSBKRLCQVHYTGY-FYJGNVAPSA-N 391.387 3.108 50 40 GGGB COc1cc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc(OC)c1OC 704103 WONQCJPAKJMVSZ-DNTJNYDQSA-N 399.230 3.489 50 40 GGGB CCOc1ccc(/C=N/NC(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)cc1 2239191 OOZHUNZICAXJJQ-WSDLNYQXSA-N 397.431 3.356 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCC(=O)O 409190180 MCQUFMWJYFTIJI-QPEQYQDCSA-N 392.839 3.168 50 40 GGGB CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC 408884150 SVLAZASAEXVRRF-LICLKQGHSA-N 396.443 3.334 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCC#N 408804051 VIGWRPDMXOSFCJ-XMHGGMMESA-N 375.428 3.254 50 40 GGGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 408744775 MTSKPCUZDWIVDK-BOPFTXTBSA-N 394.427 3.491 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(I)o2)cc1 408745778 PCNQYPLEWWVHOM-NTMALXAHSA-N 394.168 3.438 50 40 GGGB C#CCOc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408905583 ZNBGFCZNQFZKEN-MTJSOVHGSA-N 393.355 3.126 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(Br)c1OC 139320511 KYESIDJRZNOIFO-WUXMJOGZSA-N 391.221 3.283 50 40 GGGB N#C/C(=C\c1cccc2c1OCCCO2)c1nc(N)nc(Nc2ccccc2)n1 55039392 JLIKCKOFWNVGQF-NTCAYCPXSA-N 386.415 3.423 50 40 GGGB O=C(COc1ccc(Cl)cc1)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O 13546377 UGDDSLOJTSWFNB-WSVATBPTSA-N 384.175 3.136 50 40 GGGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccccc2Cl)cc1 18096691 XWBRFKUJVWJBGN-LPYMAVHISA-N 389.839 3.248 50 40 GGGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 12292664 AVNFSRVHRBVJEL-INIZCTEOSA-N 378.428 3.142 50 40 GGGB COc1cc(/C=N/NC(=O)CSc2cc(C)c3ccccc3n2)ccc1O 897676 FLSPLGZLNOHGNQ-SRZZPIQSSA-N 381.457 3.500 50 40 GGGB CC(C)C(O)(C(=O)NN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1)C(C)C 1777465 QHKCLLYJQGOOIU-UHFFFAOYSA-N 399.447 3.316 50 40 GGGB O=C(Cl)CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1 2537756 BCTZMPWZAVSSON-UHFFFAOYSA-N 384.788 3.153 50 40 GGGB COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 4355225 WDZVDHUSNGFQCO-UHFFFAOYSA-N 388.431 3.198 50 40 GGGB COc1cc(OC)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cl 408586374 BOKQHGBQEKTVJM-DJKKODMXSA-N 393.783 3.038 50 40 GGGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 7783691 WFTNNMGQEBPBAB-CIAFOILYSA-N 375.388 3.308 50 40 GGGB COc1cc(Cl)cc(/C=N\NC(=O)COc2cccc3cccnc23)c1O 409021662 SCDWZEISXAADQJ-YVNNLAQVSA-N 385.807 3.132 50 40 GGGB CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Sc1nc(C)cc(O)n1 409097139 NBRGAYCJZNNWMT-KPKJPENVSA-N 386.389 3.020 50 40 GGGB O=C(CCc1ccccc1)N/N=C/c1ccccc1I 5602987 RTCWSHSSDSGNCS-LDADJPATSA-N 378.213 3.374 50 40 GGGB CCCN1C(=O)/C(=N\NC(=O)COc2ccc3ccccc3c2)c2ccccc21 5855688 FDHLOLJQPAXZOI-LVWGJNHUSA-N 387.439 3.496 50 40 GGGB CCOc1cc(/C=C/C(=O)NNC(=O)Cc2ccccc2)cc(Cl)c1OC 15918220 PJNCEWLVGLZKFR-MDZDMXLPSA-N 388.851 3.151 50 40 GGGB Oc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc(O)n1 575416715 CAUGRBYWHNBKEU-UHFFFAOYSA-O 387.399 3.382 50 40 GGGB in-vitro O=c1[nH]c2c(cc1Br)[C@@H](Br)[C@H](Br)C=C2 1700640 SHJRWGOFVFLJLT-SVGQVSJJSA-N 383.865 3.364 50 40 GGGB Cn1ncc(Br)c1C(=O)N/N=C/c1cc2ccccc2nc1Cl 673306 AYWBXAKJTDKERM-CNHKJKLMSA-N 392.644 3.148 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1 3230118 ONNKQNQXWODPLS-OVCLIPMQSA-N 395.802 3.309 50 40 GGGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccco1 59417692 SQWFBTODEKMBRJ-UDWIEESQSA-N 378.344 3.204 50 40 GGGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CC2(C)OCCO2)o1 408591823 VKDBLIKTAJQCER-LPYMAVHISA-N 394.431 3.044 50 40 GGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)Nc2ccc(Cl)cc21 6059241 GEBGJKHDXPHQFO-UHFFFAOYSA-N 398.633 3.498 50 40 GGGB C[C@H](Br)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 9584632 GUVAJSZPIBTNPL-NSHDSACASA-N 390.233 3.411 50 40 GGGB CN1C(=C(C#N)C(=O)CSc2ncc3ccccn23)N(C)c2ccccc21 25523814 DVENYMKJTHPZOQ-UHFFFAOYSA-N 375.457 3.317 50 40 GGGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 409263059 LJNSUQMURFWBNI-MRUVXERFSA-N 379.372 3.347 50 40 GGGB COc1ccc(NC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1 409186644 FYBYHRFRXWZPQB-MTJSOVHGSA-N 385.420 3.181 50 40 GGGB CCN1C(=O)/C(=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21 6326030 QKKDWFOWFZKZDV-JZJYNLBNSA-N 394.412 3.310 50 40 GGGB O=C(NNC(=O)c1cccc2c3c([nH]c12)CCCC3)c1cccc([N+](=O)[O-])c1 32794998 VDGROPFSODWNJE-UHFFFAOYSA-N 378.388 3.030 50 40 GGGB N#Cc1ccccc1OCC(=O)NNC(=O)CSc1ccc2ccccc2c1 6543197 ANBDGRYMDFCLCQ-UHFFFAOYSA-N 391.452 3.030 50 40 GGGB O=C(Cc1ccccc1)N/N=C/c1cc(Br)c(O)c2ncccc12 59459143 QMXSJXAOINRVMX-SRZZPIQSSA-N 384.233 3.396 50 40 GGGB O=C(CSc1nc(-c2ccccc2)cs1)NNC(=O)c1cccs1 3443873 DIWKAZDXDITDDL-UHFFFAOYSA-N 375.500 3.425 50 40 GGGB O=C(N/N=C(\Cn1cncn1)c1ccc(F)cc1F)C12CC3CC(CC(C3)C1)C2 4481596 QULLTGVMYQXSEZ-LGUFXXKBSA-N 399.445 3.293 50 40 GGGB COc1ccc2ccc(OC)c(/C=N\NC(=O)COc3ccccc3OC)c2c1 409013366 URWFNEDGAAPTTB-QRVIBDJDSA-N 394.427 3.395 50 40 GGGB CC(C)Oc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)c(O)c1 408589801 MWYAMTJKUBNSRI-DJKKODMXSA-N 393.237 3.411 50 40 GGGB COc1ccc(OCC(=O)N/N=C\c2c(OC)ccc3ccc(OC)cc23)cc1 409020314 NVIAMTMQSBWGNM-QRVIBDJDSA-N 394.427 3.395 50 40 GGGB COc1cc2c(cc1/C=N/NC(=O)CSc1ccc(Cl)cc1)OCO2 8114067 NLBRSHZYGVAQAL-UFWORHAWSA-N 378.837 3.320 50 40 GGGB CCOc1ccc(CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 12922381 XQGOPOVGOOHBLB-UHFFFAOYSA-N 394.427 3.261 50 40 GGGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2ccc(Cl)cc2)cc1 1633124 QCEQRDCZBULHAX-CVEARBPZSA-N 392.242 3.134 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)cc2Cl)c(OC)c1 107763404 QVYUYKKQLHQYIV-KEBDBYFISA-N 378.812 3.138 50 40 GGGB COc1ccc(NC(=S)NNC(=O)c2cccc(Br)c2)cc1 59449421 NGXPPZDYFNIVLE-UHFFFAOYSA-N 380.267 3.089 50 40 GGGB Cc1sc2c(c1C)c(=O)nc1n2[C@@H](CI)CS1 907778 AMCQIWVXHLDILK-ZETCQYMHSA-N 378.260 3.157 50 40 GGGB Cc1c(C(=O)NNS(=O)(=O)c2ccccc2C(F)(F)F)oc2ccccc12 12992996 CAECEKCOMWOLKW-UHFFFAOYSA-N 398.362 3.383 50 40 GGGB C/C(=N\NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccncc1 6077666 NLGHBCDEXHNXBH-PCLIKHOPSA-N 382.427 3.483 50 40 GGGB C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)c1ccc(F)cc1Cl 14135889 LLOKAKSYWMWCDP-VIFPVBQESA-N 392.843 3.350 50 40 GGGB COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)Cc1ccc(F)cc1 409246744 AVOXBIUUIHDXFS-UCQKPKSFSA-N 385.439 3.136 50 40 GGGB O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(F)c1 1754009 DPCBWWIBLYVPAM-ODCIPOBUSA-N 383.210 3.404 50 40 GGGB COc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 15357186 UHTNDARHGWVNCH-RAXLEYEMSA-N 381.457 3.280 50 40 GGGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CC3)c2C)cc1 6630642 HYAIBDLYPINAQN-LDADJPATSA-N 377.444 3.456 50 40 GGGB C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1cccs1 4646939 CYYVELRLNFHGGU-UQDQQJHMSA-N 380.105 3.484 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)OC 408744781 MWBXHBQHMVIVGR-BOPFTXTBSA-N 394.427 3.491 50 40 GGGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(O)cc1 33558237 PAWWAOKNZQCFKR-XKZIYDEJSA-N 392.415 3.401 50 40 GGGB O=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(Br)c1 13844383 QCZOYYTZLAOIMR-IDUWFGFVSA-N 398.600 3.480 50 40 GGGB O=S(=O)(C[C@@H](Cl)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 3133858 FGQBUPUUNXOMSM-AWEZNQCLSA-N 379.286 3.153 50 40 GGGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)C(=O)O 59302207 QYYHJYGJTOCFSO-VURRPDKYSA-N 391.221 3.065 50 40 GGGB COc1ccc(C2(CI)C(=O)c3ccccc3C2=O)cc1 2117967 RWQDAHFSRQVKLY-UHFFFAOYSA-N 392.192 3.447 50 40 GGGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccncc1 1092697 HPZFTWXCDPGAMT-REZTVBANSA-N 399.042 3.076 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)ccc2OC)c1 5514058 GEKVBEVUGVYBBL-VXLYETTFSA-N 393.237 3.239 50 40 GGGB O=C(N/N=C1\C(=O)N([C@H]2OC(=O)c3ccccc32)c2ccccc21)c1ccccc1 6474569 HWQYKMGUIMWSIS-JPVAHNOFSA-N 397.390 3.037 50 40 GGGB COc1ccc(CCNC[C@@H](O)COc2ccc(/C(C)=C\C#N)cc2)cc1OC 1846178 BMAJJBHGPUHERB-PLMLNFJUSA-N 396.487 3.203 50 40 GGGB in-man COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1cccc(F)c1 1054204 DFWDIZXDEWINFS-WYMPLXKRSA-N 393.374 3.212 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 107443951 ZCRCCIJSOQHTFU-OAUSYTLMSA-N 382.460 3.086 50 40 GGGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)cc1 2080909 JJCHQZZDGCLABC-UDWIEESQSA-N 387.233 3.234 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1C 5070823 HRRKGSGJKDLRDV-RWZYYMRUSA-N 395.459 3.306 50 40 GGGB CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 4545342 WRKVOCIEQRYPPI-UFFVCSGVSA-N 390.823 3.486 50 40 GGGB Cc1cccc(OCCC(=O)NNC(=O)c2ccc(Br)s2)c1 6602973 WHPJGKBSVQBUSG-UHFFFAOYSA-N 383.267 3.049 50 40 GGGB CC(=O)N[C@@H](CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 5787620 YYDHQAZNLFNXNL-JNCPLXCYSA-N 397.519 3.008 50 40 GGGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccncc2)cc1 32109572 KHMUIKYAWXRQQD-OYKKKHCWSA-N 388.427 3.171 50 40 GGGB Cc1cccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)c1 19947940 HRHNPUUVIOKNIL-UHFFFAOYSA-N 385.489 3.237 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1 6278607 PCZPXVJKQWGWIV-GIJQJNRQSA-N 392.209 3.438 50 40 GGGB CCOc1ccccc1/C=N/NC(=O)COc1cccc(Br)c1 704543 QVBQYCFMBSSTNZ-YBFXNURJSA-N 377.238 3.377 50 40 GGGB Cc1cc(/C=N\NC(=O)CC(=O)NCC(C)C)c(C)n1-c1cccc(Cl)c1 58913935 WOJGILSLNNVBLN-FMCGGJTJSA-N 388.899 3.360 50 40 GGGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4658874 MDNUOZIJUXYJCP-MTJSOVHGSA-N 392.371 3.252 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1 7642348 IPAOBPOHAMWBQD-UHFFFAOYSA-N 384.819 3.342 50 40 GGGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccccc2OC)c1C 7989421 ONZBKBHKBSTRKO-LDADJPATSA-N 396.443 3.093 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2C)C(=O)N1c1ccc(F)cc1 16745976 MOZXAYRRRHMQRK-QUWSGOTNSA-N 395.459 3.306 50 40 GGGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)O)cc3)cc2c1 409186299 ACEAEHVJMGRZNO-NHDPSOOVSA-N 382.372 3.059 50 40 GGGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccccc2OC)c2ccccc21 409263640 NHRLCZHQEIFPFM-YDZHTSKRSA-N 393.443 3.285 50 40 GGGB CCn1cc(-c2noc(CNC(=O)CCCC[C@@H]3CCSS3)n2)cn1 575615956 IAULSDCCRWQOKL-CYBMUJFWSA-N 381.527 3.283 50 40 GGGB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccccc1 100547653 CTMOORJHJLZVLO-IWDIQUIJSA-N 387.071 3.113 50 40 GGGB COc1ccc(/C=N/NC(=O)c2c(C)n(C)c3ccc(OC)cc23)c(OC)c1 2238665 DGLVTUGQEWGHDY-WSDLNYQXSA-N 381.432 3.276 50 40 GGGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)OC(C)C 408604467 USGRNKINVIAQGP-UUYOSTAYSA-N 384.432 3.098 50 40 GGGB Cc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 19955079 NUDPQRRKEFCJPJ-HYARGMPZSA-N 395.484 3.065 50 40 GGGB Cc1nc2sccn2c1[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 18199513 HTDUWNDXNFIKFW-ZDUSSCGKSA-N 376.397 3.029 50 40 GGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COCC(F)(F)F 5130567 FPXQZPRXXINCAL-HNNXBMFYSA-N 394.353 3.024 50 40 GGGB CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 7379687 KDMDMKZTTCTGAT-UHFFFAOYSA-N 378.519 3.158 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OC)cc1OC)c1ccccc1 408978488 ISMYQUXDEVVIRK-SDLXJUDFSA-N 399.447 3.031 50 40 GGGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(F)cc1 1433717 DSUVRMVGGMEWQK-DJKKODMXSA-N 381.201 3.126 50 40 GGGB CN1[C@H]2CC[C@@H]1C=C1C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(F)cccc3Cl)[C@H]12 12371972 SDNICZOASPRHKD-JLBIYAHBSA-N 393.853 3.365 50 40 GGGB CC(C)N1C(=O)/C(=N/NC(=O)c2ccc(Br)cc2)c2ccccc21 6887929 GOASSHLDBQQEHS-CAPFRKAQSA-N 386.249 3.338 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccccc2Cl)cc1 3265367 QGLVNPIBAZQKPQ-MHWRWJLKSA-N 384.819 3.115 50 40 GGGB CCOc1ccc(/C=N/NC(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)cc1 2215844 JYODBTHGCWEJDW-WSDLNYQXSA-N 397.431 3.356 50 40 GGGB COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(OC)c1OC 409240845 IMCKNRZAVJMCCN-JXAWBTAJSA-N 380.444 3.368 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OC(C)=O 408752899 DEVWZUGCFLLGIP-GIJQJNRQSA-N 395.209 3.130 50 40 GGGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Br)o2)c(OC)c1 408877900 XTRUTQMWPCGDSV-KPKJPENVSA-N 391.221 3.283 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c(OC)c1 6189209 CGUWATSKRSFRGW-YDZHTSKRSA-N 392.459 3.329 50 40 GGGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccc(O)cc1 59302212 SVVOEQVYDQNROE-VCHYOVAHSA-N 378.226 3.112 50 40 GGGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N32)c1 12276206 HDIIJLLLBVZTDC-IERDGZPVSA-N 396.443 3.477 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(C(=O)O)cc1 59334432 RAHNXIMQSAXKQX-WQRHYEAKSA-N 394.427 3.358 50 40 GGGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccccc4)c(=O)c23)C1 4367736 VTZUKQPXBMJLJE-IKZISGEZSA-N 394.500 3.294 50 40 GGGB COc1ccc2cc([C@H](C)C(=O)NNC(=O)Cc3ccc(F)cc3)ccc2c1 8030989 CHOYKKIAHBFMJK-AWEZNQCLSA-N 380.419 3.481 50 40 GGGB C/C(=C(/C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCCC1 3767744 XWRUTJWVCDSGDN-RAXLEYEMSA-N 398.410 3.004 50 40 GGGB CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)cc1 12765646 GSTQLJGXXUCUML-CQSZACIVSA-N 383.473 3.372 50 40 GGGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N)c2C)cc1 408590818 QPOGJJXQLHVVPO-ZMOGYAJESA-N 390.443 3.227 50 40 GGGB O=C(Cc1cn2ccsc2n1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6651284 KPRIRWNTJXZOKB-VXLYETTFSA-N 395.400 3.257 50 40 GGGB O=C(Cc1ccccc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 4738964 NVAADFDEZKOPDY-LPYMAVHISA-N 376.372 3.475 50 40 GGGB Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(O)cc(O)c3)cc2)c1 15933909 XIKDHFYZNBDTGD-YDZHTSKRSA-N 390.395 3.389 50 40 GGGB CCc1ccccc1N(CC(=O)NN=C(C)C)S(=O)(=O)c1ccc(C)cc1 408781941 DJUIUBLIQUQVGM-UHFFFAOYSA-N 387.505 3.265 50 40 GGGB COc1ccc(/C=N\NC(=O)Cn2nc(C)cc2C)cc1OCc1ccccc1 96714073 ITTGZOLWGVCYRH-QRVIBDJDSA-N 392.459 3.238 50 40 GGGB CN(C)c1ccc(NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C)cc1 8733447 CPKODBXGNGNQIT-HNNXBMFYSA-N 384.318 3.007 50 40 GGGB COc1cc(Cl)c([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 2502502 JFWGOQMYGZSXGD-GOSISDBHSA-N 386.791 3.304 50 40 GGGB Cn1cc(/C=N/NC(=O)[C@]2(C)CC[C@H](c3nc4ccccc4[nH]3)C2(C)C)cn1 6393335 YGSGGFXCWOMNJM-RFUHEXKMSA-N 378.480 3.357 50 40 GGGB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)N2C(=N1)SC(C#N)=C2N 408605278 LMHQWEIZEPTVML-KRWDZBQOSA-N 398.488 3.423 50 40 GGGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cccc(Cl)c2)c1 3284861 QSFZOFCNCDIKMS-DEDYPNTBSA-N 393.896 3.134 50 40 GGGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 44546811 LCEDYJWKXJESLS-CIAFOILYSA-N 378.388 3.472 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1OCC 5431805 JEQDSILJRKJJQB-PFRBSUFTSA-N 397.475 3.202 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)c2cccc(I)c2)cc1 4587728 QJISQGZNPXMGIR-WOJGMQOQSA-N 394.212 3.454 50 40 GGGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C)cc3)CC2)c1 409006502 OGTGQMPYSSMSBJ-HZHRSRAPSA-N 379.460 3.006 50 40 GGGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccccc1OC 409101285 SLJVFPRTKHKHCP-HYARGMPZSA-N 383.448 3.077 50 40 GGGB Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 1546317677 YBUUBQMXSGYLJN-SFHVURJKSA-N 382.370 3.458 50 40 GGGB CCOc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1O 3025615 XETPYHJUPXHXBG-LFVJCYFKSA-N 390.439 3.177 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1O 6126989 VQHFLJJCQUCVLR-CIAFOILYSA-N 379.372 3.010 50 40 GGGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@H]1c1ccc(Cl)cc1Cl 5567981 JJNDNGHKOMXXBV-CWSCBRNRSA-N 377.153 3.265 50 40 GGGB CCn1c(NNC(=O)c2ccc3c4c(cccc24)CC3)nc2ccccc2c1=O 11166742 DWJYQFXCUGWBMX-UHFFFAOYSA-N 384.439 3.425 50 40 GGGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@H]1c1ccccc1[N+](=O)[O-] 20238165 XTWJAYUAOOAHJK-HNNXBMFYSA-N 396.428 3.403 50 40 GGGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 58911445 PIHFXHFYKDSQDG-LSHDLFTRSA-N 393.274 3.153 50 40 GGGB Cn1cccc1C(=O)N/N=C1/C(=O)Nc2cc(SCc3ccccc3)ccc21 43950746 WOEMGQFSHQFYGR-UHFFFAOYSA-N 390.468 3.404 50 40 GGGB CCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 59474733 JMTPAEXZKJWCNN-HJGVYBFFSA-N 385.851 3.242 50 40 GGGB CCOc1ccc(C(=O)N/N=C/c2cccc(I)c2)cc1 26123819 PKORMZGSDIMRCH-WOJGMQOQSA-N 394.212 3.454 50 40 GGGB Cc1cccc(C)c1OCC(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 6537211 WHEAPVKUKARSES-UHFFFAOYSA-N 377.400 3.067 50 40 GGGB Cn1c(SCC(=O)NNC(=O)Nc2ccccc2Cl)nc2ccccc21 26442371 GICWOTSWSGHRAT-UHFFFAOYSA-N 389.868 3.172 50 40 GGGB CCCCOc1ccc(C(=O)NNC(=O)Nc2ccc(OC)cc2OC)cc1 17079075 PLXICOCYNQBLOB-UHFFFAOYSA-N 387.436 3.349 50 40 GGGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1 8995046 ZMAXZVZYLCBXTI-KRWDZBQOSA-N 393.468 3.406 50 40 GGGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1ccc3c(c1)OCO3)CO2 31853532 HOSLGFICSGPOOM-RCECTWRXSA-N 382.416 3.003 50 40 GGGB Cc1cc(C)c(NC(=O)CCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c(C)c1 59488449 CZVRMNRLCOVKTE-SRZZPIQSSA-N 398.419 3.095 50 40 GGGB COc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1OC 408530577 MHGMHTPCKQSKQH-AUEPDCJTSA-N 381.354 3.285 50 40 GGGB Cc1cc(C(=O)CCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c(C)s1 6510542 DPQQPMIDHZUCPM-UHFFFAOYSA-N 396.472 3.179 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OCc1ccccc1 408766023 NUIRXHBYYADUGZ-CPNJWEJPSA-N 378.428 3.040 50 40 GGGB COc1ccccc1C(=O)N/N=C/c1ccccc1I 6182602 BLLVFFZWISDTRA-LICLKQGHSA-N 380.185 3.064 50 40 GGGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNc1ccccc1 5376087 UQJQONJEBXVELM-NTCAYCPXSA-N 387.486 3.404 50 40 GGGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O 806452 PVWVRFMCOFIPPS-LJQANCHMSA-N 396.443 3.461 50 40 GGGB O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccc(Cl)c(Cl)c1 3186666 OMCCKSDNWKPILP-AERZKKPOSA-N 392.164 3.324 50 40 GGGB CCCCOc1ccc(C[C@@H](N)C(=O)O)cc1N(CCCl)CCCl 1714222 NGCWWFUSPXKSBQ-CQSZACIVSA-N 377.312 3.104 50 40 GGGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 6970367 JPCCBHPLCIKLRZ-LFIBNONCSA-N 380.360 3.404 50 40 GGGB O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)nc1 22996720 XDXKMRUYDYQCGO-UHFFFAOYSA-N 378.137 3.482 50 40 GGGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 35323976 GWCITHNIFCGAIL-ZDUSSCGKSA-N 393.230 3.040 50 40 GGGB O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc2ccccc2n1 12802244 OIZIASUIIFIFOI-UHFFFAOYSA-N 396.255 3.165 50 40 GGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)c(OC)c2)cc1 408790046 MRXHPZVOZVWWJD-OQLLNIDSSA-N 396.399 3.045 50 40 GGGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccccc1 1085937 OFUZGWXPDTZBSF-VGOFMYFVSA-N 387.233 3.429 50 40 GGGB COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1OC 8567894 OGEQNDQOHWDTAJ-QGZVFWFLSA-N 392.390 3.451 50 40 GGGB N#C/C(=C\N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccccc1 6673683 CNZLLCXPRXDFTA-XDJHFCHBSA-N 387.892 3.301 50 40 GGGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(OC)ccc2nc1Cl 870402 SDAAUMXYUUXIAG-MRXNPFEDSA-N 385.807 3.151 50 40 GGGB C/C(=N\NC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1ccc(Br)cc1 100253011 QPPGSCFFVJPZOO-CPIJOOSUSA-N 393.281 3.411 50 40 GGGB O=C(CNc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 4357469 SFTOPIGRRONEQS-HYARGMPZSA-N 381.436 3.147 50 40 GGGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2ccccc2oc1=O 14075963 VFGFPDKLTSAFQT-UHFFFAOYSA-N 393.277 3.477 50 40 GGGB COc1ccc(COC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 4548244 XQZPGLMUZSDRND-UHFFFAOYSA-N 392.839 3.302 50 40 GGGB CC1(C)CC(=O)C2=C(C1)N(c1nc[nH]n1)C(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 5408219 ZNURJLKLWZRQKO-INIZCTEOSA-N 394.866 3.399 50 40 GGGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408788981 NOJTXLKIEJKHEA-XNTDXEJSSA-N 395.371 3.082 50 40 GGGB CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 408772942 NPQFRZYWEAFOAU-CYVLTUHYSA-N 391.471 3.350 50 40 GGGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccco2)cc1OCC 5652026 NAJVTNBLBPCNCD-XNTDXEJSSA-N 384.388 3.166 50 40 GGGB CC1(CC(=O)N/N=C/c2cc(Br)ccc2O)SCCS1 6348127 YSSIZONUDRGSKT-OVCLIPMQSA-N 375.313 3.191 50 40 GGGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(C)cc2)cc1 4416823 ZVDPIYJWTCYWEP-BUVRLJJBSA-N 380.448 3.017 50 40 GGGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 107907283 VNBBDORVBSBPEN-MHWRWJLKSA-N 380.360 3.404 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 59516254 XIYOLPQPYVLMMI-CIAFOILYSA-N 387.823 3.002 50 40 GGGB Oc1nc(O)c2nc(/N=N\c3ccc(N(CCCl)CCCl)cc3)[nH]c2n1 104373450 DFDRCUVILPNOLL-FCQUAONHSA-N 396.238 3.464 50 40 GGGB COc1cc(/C=N/NC(=O)CCc2c[nH]c3ccccc23)cc(OC)c1OC 3202164 GAWNXJHMULLQKR-FSJBWODESA-N 381.432 3.277 50 40 GGGB O=C(CSCc1ccccc1Cl)N/N=C/c1cccc2c1OCCO2 58915610 DONIGWVWVHADMX-KEBDBYFISA-N 376.865 3.495 50 40 GGGB CCc1cc2c(=O)n(CC(=O)N/N=C/c3cccc4ccccc34)cnc2s1 1784455 ZDMAYAXJKRPRCR-FOKLQQMPSA-N 390.468 3.324 50 40 GGGB Cc1cc(OCC(=O)NNC(=O)c2ccc(Br)cc2)ccc1Cl 3369370 IQWCBSFZWWUXMG-UHFFFAOYSA-N 397.656 3.251 50 40 GGGB O=C(Cn1nnc2ccccc21)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21 36239759 LLISRGSHQSTKCM-JPVAHNOFSA-N 397.438 3.476 50 40 GGGB CCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)cc1 17080341 LZGIMFRBMYCFGF-UHFFFAOYSA-N 393.399 3.189 50 40 GGGB COc1ccc(C=NNC(=O)c2sc(N)c(C#N)c2C)cc1Br 408729304 DHSZPTOZZHSHMD-UHFFFAOYSA-N 393.266 3.045 50 40 GGGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1 60117987 KHMUIKYAWXRQQD-ZVHZXABRSA-N 388.427 3.171 50 40 GGGB COc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc2c(c1)OCO2 409160336 GRIKDVQYZLXVEX-FOKLQQMPSA-N 377.400 3.139 50 40 GGGB N#CC1=CC[C@H](NC(=O)Oc2ccccc2)[C@@H](NC(=O)Oc2ccccc2)O1 4267625 HIINXNFIZGTNBS-ROUUACIJSA-N 379.372 3.086 50 40 GGGB biogenic Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1cccnc1 34861257 VDMHMIYADYWOQA-UUYOSTAYSA-N 377.404 3.090 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1O 1095518 AOARXPCRJZDZSV-LFIBNONCSA-N 397.862 3.310 50 40 GGGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 5206403 WZOUDNOILSMWED-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB COc1ccc(OCCCOc2ccc(Cl)cc2/C=N/NC(N)=O)cc1 6405803 OFJIHSVLGPRHDF-CIAFOILYSA-N 377.828 3.199 50 40 GGGB COc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(C(C)C)cc3)CC2=O)cc1 1421701 HAPOTYXKKFLMBU-XNQWGTPPSA-N 379.460 3.322 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-] 1445346 KUKRJPXDEYCKJV-YBFXNURJSA-N 377.784 3.176 50 40 GGGB COc1ccc(-c2cc(C(=O)NNC(=O)C3CC3)c3ccccc3n2)cc1OC 9504080 GWFXKWASCFZXOU-UHFFFAOYSA-N 391.427 3.090 50 40 GGGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 408986643 RWCXBBGKBXEWPZ-GZTJUZNOSA-N 394.427 3.491 50 40 GGGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1 408787533 BLEGWPZQCLUQDI-SFQUDFHCSA-N 393.443 3.144 50 40 GGGB O=C(COc1ccc(C(F)(F)F)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2 40140428 FCPVMLDPUSERDR-UHFFFAOYSA-N 396.409 3.448 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1Br 1021413 RHNSZFYYQAGCOI-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB CC(=O)c1c(NNC(=O)CNc2cc(Cl)ccc2Cl)oc(C)cc1=O 27027964 IOAYOKJUMLIMNL-UHFFFAOYSA-N 384.219 3.013 50 40 GGGB C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OCC)c1O 108983402 RPASUXMQFAZLOZ-BKUYFWCQSA-N 383.404 3.120 50 40 GGGB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NNC(=O)C3CC3)cc12 12849758 FJZMYWCUJJFKGP-UHFFFAOYSA-N 388.880 3.279 50 40 GGGB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 4146914 JKXMIVLHIVOQSM-KRWDZBQOSA-N 390.399 3.018 50 40 GGGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccco2)c1 5381916 FMTSMHBRUPDLIA-YDZHTSKRSA-N 391.383 3.415 50 40 GGGB CCOc1cc(/C=N/NC(C)=O)ccc1OCCCOc1ccccc1OC 4670403 UTEPRLNGJSDNHR-PXLXIMEGSA-N 386.448 3.412 50 40 GGGB COc1ccccc1C(=O)N/N=C/c1ccc(I)cc1 409368953 ULVJKSSTPTYODB-LICLKQGHSA-N 380.185 3.064 50 40 GGGB C/C(=N/NC(=O)COc1cc(C)cc(C)c1)c1c(C)nn(-c2ccccc2)c1O 408958248 YADIDTDSQXBVGS-KQWNVCNZSA-N 392.459 3.422 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(Cl)c1OC 6158829 RQURKOGMWLKWKZ-KEBDBYFISA-N 375.812 3.080 50 40 GGGB Cc1sc2ncnc(SCC(=O)NNC(=O)c3ccc(F)cc3)c2c1C 2620391 URPITJZCUKQOJQ-UHFFFAOYSA-N 390.465 3.001 50 40 GGGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc1[N+](=O)[O-] 3140251 BSMMNCLRSXIZOY-DJKKODMXSA-N 377.784 3.094 50 40 GGGB CC(C)CC(=O)NN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 5481699 HBNIBFDYHLTNSI-UHFFFAOYSA-N 393.896 3.142 50 40 GGGB COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCOc1cccc(C)c1 15939046 XPLUMKJOGDSRJD-SRZZPIQSSA-N 377.828 3.117 50 40 GGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1 3067271 UWFAAUNXFDGQTG-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 840345 XEKNAYTWXXUAJS-UHFFFAOYSA-N 398.600 3.086 50 40 GGGB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)c1cccnc1 3162775 CZQWOCUUDLOSTQ-LFVJCYFKSA-N 388.475 3.330 50 40 GGGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1O 1480522 BRMBAZXRKVURBM-KRWDZBQOSA-N 376.368 3.115 50 40 GGGB COc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1OC 4135655 BAEFZYYVEOUFON-UUYOSTAYSA-N 382.395 3.387 50 40 GGGB COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(OC)c1 408948385 FXRBMSZMGYFAEK-BOPFTXTBSA-N 375.428 3.451 50 40 GGGB O=C(CCCC[C@H]1CCSS1)NCc1nc(-c2cccnc2O)no1 575610020 OCKKWIACSGLOLZ-NSHDSACASA-N 380.495 3.168 50 40 GGGB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccco4)C(C#N)=C(N)S[C@H]3C2=O)cc1Cl 102355297 DEGSFFNJGRWOOP-ARFHVFGLSA-N 399.859 3.324 50 40 GGGB COc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 409006612 PZTMRJLUUFNJHH-HZHRSRAPSA-N 379.460 3.006 50 40 GGGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)cc1 5163517 IYWDZPCGZNVYHD-OQKWZONESA-N 399.516 3.324 50 40 GGGB O=C(NNC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)cc1 27771787 NFWNTESUKIMENU-UHFFFAOYSA-N 383.791 3.260 50 40 GGGB O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(C(F)(F)F)c1 408963876 PVVFQRLYJUHHIC-SCDVKCJHSA-N 381.266 3.106 50 40 GGGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 408963816 PLNAULKVOLTBDQ-FOKLQQMPSA-N 394.349 3.411 50 40 GGGB CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H](CI)O2)C1 110915229 XEGXXMPNXYWNKF-FZMZJTMJSA-N 381.254 3.370 50 40 GGGB Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)c1 1051870 SUPKFBBZBBCMTH-LPYMAVHISA-N 378.384 3.336 50 40 GGGB NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 36724708 GMTAWRXJZIKEGK-UHFFFAOYSA-N 394.287 3.323 50 40 GGGB O=C(COc1ccc(Br)cc1)NNC(=O)Nc1ccc(Cl)cc1 2561639 VONJRKTZZOKVRX-UHFFFAOYSA-N 398.644 3.334 50 40 GGGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(Cl)c3)CC2=O)cc1 409254292 YSEJTYPMTDORKE-HJGVYBFFSA-N 385.851 3.242 50 40 GGGB Cc1sc2nc(CSC3=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N3)nc(N)c2c1C 8747146 BGTZKJSLNHVQLE-JTQLQIEISA-N 398.517 3.155 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)OC 408742414 OULIYFJRTJNVMI-WJDWOHSUSA-N 380.400 3.183 50 40 GGGB COCCNC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)c(OC)c1 408815579 XFAQZCJJORJSGF-XDHOZWIPSA-N 380.444 3.252 50 40 GGGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(O)c(O)c2)c(Br)c1 30802496 YCIGALMJCHNDRX-UWVJOHFNSA-N 393.237 3.006 50 40 GGGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 35323973 GWCITHNIFCGAIL-CYBMUJFWSA-N 393.230 3.040 50 40 GGGB CC1=C(C(=O)OCCCCl)[C@H](c2ccccc2Br)NC(=O)N1 4090293 IOEKOLRFQSKQIU-ZDUSSCGKSA-N 387.661 3.249 50 40 GGGB CCOc1cc2c3c(c1)/C(=N\NC(=O)c1ccncc1)C(=O)N3C(C)(C)C=C2C 13841720 DZSQLMVVIBVOGE-HKOYGPOVSA-N 390.443 3.157 50 40 GGGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1 72334076 BEKZYRMZNTZRDB-FPYGCLRLSA-N 375.016 3.387 50 40 GGGB COc1ccc(SCC(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 409098873 QZDRCXQMILPJQW-NVMNQCDNSA-N 379.825 3.499 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc([N+](=O)[O-])c1O 409248772 QKXWFTIKTOLPBJ-BOPFTXTBSA-N 395.415 3.355 50 40 GGGB O=C(O)c1ccc(COc2ccccc2/C=N\NC(=O)c2ccncc2)cc1 33286210 IDNLLMLUHJTAFR-QRVIBDJDSA-N 375.384 3.123 50 40 GGGB CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 409006541 ORGNUXINJHBGSP-XQNSMLJCSA-N 379.460 3.088 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OC 6155360 SGBIHSVVUXGRAY-DJKKODMXSA-N 378.226 3.015 50 40 GGGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(OC)cc3)o2)cc1 59426516 IEADYCKAFIDFDI-OEAKJJBVSA-N 392.411 3.435 50 40 GGGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 2329860 ZRBQTWCLYKHVFR-SDNWHVSQSA-N 394.500 3.337 50 40 GGGB C=CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 4454198 ARSKFSHSTKWQSG-OAHLLOKOSA-N 387.237 3.264 50 40 GGGB COc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1F 8301488 UJARGWQUDHBZCT-SLZMIMFISA-N 386.423 3.079 50 40 GGGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(F)cccc1Cl 408914145 VRXKGHJAUSFNMY-QQZPLFJDSA-N 391.830 3.287 50 40 GGGB COc1cccc(CC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)c1 408845487 HHPLJDGVWABNRA-KQWNVCNZSA-N 376.460 3.245 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(=O)O 5006545 VUPZEJMNQMUHQG-ZBIYFRDHSA-N 386.448 3.151 50 40 GGGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc2c(cc1Br)OCO2 100175386 QOGSGSHRKRPWFB-KUMYUHASSA-N 379.254 3.454 50 40 GGGB CCN1/C(=C(\C#N)c2nc(C#N)c(C#N)nc2N2CCCCC2)Nc2ccccc21 100280310 ZKYQJBDOFBDZKQ-RCCKNPSSSA-N 396.458 3.354 50 40 GGGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](c1cccs1)C(C#N)=C(N)O2 1476135 YLXOGVYRCMTPTR-SFHVURJKSA-N 375.453 3.485 50 40 GGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1Cl 409183438 CPFBJQSSUHEFEL-OEAKJJBVSA-N 399.878 3.495 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1Br 408759070 XHYOPDDZZQUCCI-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB CC(C)n1cc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21 409165650 APOGNKCUZYOHCG-BHGWPJFGSA-N 380.423 3.241 50 40 GGGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3cccn3C)oc12 409107999 UDQHRIYSJAFWAO-GIJQJNRQSA-N 376.210 3.306 50 40 GGGB O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NCc1ccccc1 15872835 NVLUWMXKAVOUFZ-UHFFFAOYSA-N 391.496 3.428 50 40 GGGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc2ccccc2cc1O 5720123 XACUACBKNUWLET-WSDLNYQXSA-N 380.400 3.335 50 40 GGGB O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1ccccc1F 4402068 DNFOKGYCENCKGQ-RGVLZGJSSA-N 392.228 3.457 50 40 GGGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 59515592 MPSJVAKOZQAJHH-PCLIKHOPSA-N 387.439 3.032 50 40 GGGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)NCc1cccs1 59534272 QZTACZWDWRFZPO-NYYWCZLTSA-N 391.246 3.463 50 40 GGGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)cc1 718577 YBEZARJWUFHHRO-INIZCTEOSA-N 390.374 3.221 50 40 GGGB Cc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914787 TVFBFQUUOFBGRT-MTJSOVHGSA-N 392.371 3.252 50 40 GGGB NNC(=O)c1csc(-n2nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)n1 5242354 QLWKIMPOVBOMLE-UHFFFAOYSA-N 387.774 3.272 50 40 GGGB CN(c1ccc(C(=O)N/N=C/c2cccs2)cc1)S(=O)(=O)c1ccccc1 20232838 DVWKOAHQPMHMAM-XSFVSMFZSA-N 399.497 3.337 50 40 GGGB CCOC(=O)C1=C(N)OC(c2cccc(OC)c2)=C(C#N)[C@H]1c1ccccc1 1073569 FPXKTJVXRVHSCQ-GOSISDBHSA-N 376.412 3.477 50 40 GGGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1COc2ccccc2O1 4936278 UEEKFOQRCWCHOR-WVGJEZMVSA-N 393.355 3.145 50 40 GGGB Cc1ccsc1/C=N/NC(=O)c1ccc(I)c(O)c1 408995692 KQBVXPXAQXZLRL-VIZOYTHASA-N 386.214 3.131 50 40 GGGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2OC)c1 409226681 QYEFFBSQUMYJPW-ATVHPVEESA-N 393.443 3.086 50 40 GGGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccncc1 33386118 NKLJLEDPTFQPPO-XKZIYDEJSA-N 377.404 3.090 50 40 GGGB COc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCC#N 33380640 ZQKFFUVQSQLDJM-MSXFZWOLSA-N 391.349 3.309 50 40 GGGB CN(C)c1ccc(/C=N/NC2=N[C@@H]3CCC[C@H](Br)[C@H]3S2)cc1 257346751 BREBZNSSLCAGBN-GTPCUSLESA-N 381.343 3.464 50 40 GGGB O=C(N/N=C/c1cccc(Br)c1)c1cccc(Cn2cccn2)c1 1081920 PZPYVSVJGNYYPF-UDWIEESQSA-N 383.249 3.458 50 40 GGGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 13922469 RPZLONUGCOUSKY-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB Cc1ccccc1N[C@@H](C)C(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 2752611 MENLJTXJVAVNCN-LOMXTUQMSA-N 376.800 3.213 50 40 GGGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 6325184 JBYMVDOFUNHGQO-AWEZNQCLSA-N 377.897 3.280 50 40 GGGB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccccc1Br 676329 SXIAWJBEWSIFCL-VDCVXVNISA-N 392.209 3.275 50 40 GGGB N#C/C(=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C(=O)N1CCCC1 3299851 FOEIDYAYLLDMSE-UVTDQMKNSA-N 381.417 3.065 50 40 GGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 408862286 DZIYUYXSXFDCQX-OEAKJJBVSA-N 399.878 3.495 50 40 GGGB COc1cc(Br)cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c1O 408814947 QUBYJKRRWAZSCY-LFYBBSHMSA-N 376.210 3.224 50 40 GGGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc4ccccc34)CC2=O)cc1 409157916 WELIHWPZMALRKH-YNJLWJOVSA-N 387.439 3.352 50 40 GGGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)o2)c1 409009367 DUIKNZUWGCVFPM-HZHRSRAPSA-N 392.459 3.288 50 40 GGGB CCN(CC)c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(OC)c1 33765705 QYJDGYDJGIIPID-STZFKDTASA-N 384.436 3.142 50 40 GGGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)Cn1nc(-c3ccccc3)ccc1=O)C2 102145122 OLYHBWYLNSRHRF-LYQCEMFFSA-N 378.476 3.229 50 40 GGGB COc1ccc(OC)c(/C=N/NC(=O)CNc2ccc(Br)cc2)c1 59720817 DOGWWHKVVXBIQR-KEBDBYFISA-N 392.253 3.029 50 40 GGGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 58884874 WCJYGYZVPLJUNS-SSDVNMTOSA-N 379.338 3.193 50 40 GGGB N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)c2cccs2)c2ccccc21 5324651 QOEMWWZMGCLEIA-VLGSPTGOSA-N 390.468 3.232 50 40 GGGB COc1ccc(CSCC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)cc1 5370103 ZHBIRNCZXKYMAY-HYARGMPZSA-N 385.489 3.427 50 40 GGGB COc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(C(=O)O)cc2)cc1 408933206 IKSLDSZEFLSWAO-BKUYFWCQSA-N 378.388 3.340 50 40 GGGB COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1I 30822007 CMIDUGHFEUZKOC-NVMNQCDNSA-N 398.175 3.203 50 40 GGGB COc1ccccc1OCC(=O)NNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 40067870 KLKJIHKWPARNKS-AWEZNQCLSA-N 397.431 3.254 50 40 GGGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 8195945 KJIIGTGCEUXAAM-MLJKTZRHSA-N 378.856 3.292 50 40 GGGB CN(C)c1ccc(CNC(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1 40072768 OQPQUXLZZWQKTF-UHFFFAOYSA-N 381.263 3.204 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2)cc1 3185904 KODSGWYGMDDZRS-JJIBRWJFSA-N 380.492 3.193 50 40 GGGB N#CC(C(=O)COC(=O)c1cccc(OC(F)F)c1)=C1Nc2ccccc2N1 3278583 ZQNPYFNSBDFXOB-UHFFFAOYSA-N 385.326 3.287 50 40 GGGB CNC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2C(=O)O)o1 5024455 HCECLSRJYRKBRI-TWGQIWQCSA-N 375.178 3.060 50 40 GGGB Cc1ccc(C(=O)N[C@@]2(C(Cl)Cl)N=C(c3ccccc3)N=C2N)cc1 17433920 CZKAVWOTGBJDLU-GOSISDBHSA-N 375.259 3.042 50 40 GGGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3N)o2)c1 408727142 XNTCDFRJIDQUBK-YDZHTSKRSA-N 377.400 3.469 50 40 GGGB CC[C@@H](NNC(=O)c1oc2ccccc2c1C)C(=O)Nc1ccc(OC)cc1 8988089 LETJMLZKWQKDOZ-QGZVFWFLSA-N 381.432 3.402 50 40 GGGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)o2)cc1[N+](=O)[O-] 409141823 BYDJOIOVZATSOK-MRUVXERFSA-N 379.372 3.347 50 40 GGGB COc1cc(C)ccc1C(=O)N/N=C/c1cc2c(cc1Br)OCO2 408878672 CRIHKXTVSJSJKP-UFWORHAWSA-N 391.221 3.259 50 40 GGGB C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 1085442 PJGBEWMSSAJVGH-HPAYWCODSA-N 392.209 3.275 50 40 GGGB CN1[C@H]2CC[C@@H]1C=C1C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@H]12 12371973 SRXGHYFYLFKBSY-FDPIWHGQSA-N 375.863 3.226 50 40 GGGB COc1ccccc1/C=N/NC(=O)c1ccc(I)cc1 10476077 PUIFANWWFVIOMQ-LICLKQGHSA-N 380.185 3.064 50 40 GGGB COc1cc(/C=C/C(=O)NNC(=O)c2ccc(Cl)cc2)ccc1OC(F)F 3324805 XUDCEYLWDJJBTM-YCRREMRBSA-N 396.777 3.424 50 40 GGGB C/C(=N\NC(=O)NC1CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 98052626 XJFSCIRHMKXTNL-KGENOOAVSA-N 377.510 3.369 50 40 GGGB COc1ccc(C(O)(C(=O)N/N=C/c2ccccc2)c2ccc(OC)cc2)cc1 1250722 ZOXJNRHGKYTJGV-LFVJCYFKSA-N 390.439 3.090 50 40 GGGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cc2ccccc2cc1O 3225590 BCAKPSMACJGYOT-HZHRSRAPSA-N 375.428 3.146 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(Br)c1O 5463550 QBKPGAPPFKWDOY-VXLYETTFSA-N 393.237 3.326 50 40 GGGB O=C(O)CSc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 9324096 ZSEXZFWVYATRTE-QGMBQPNBSA-N 393.808 3.189 50 40 GGGB O=C(NCc1ccccc1)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 58914379 MDZJWOPIQKDWIE-QRVIBDJDSA-N 381.819 3.367 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1OC 59515630 CXNDSJILIMRFSN-CIAFOILYSA-N 387.823 3.002 50 40 GGGB COc1cc(Br)c(O)c(/C=N/NC(=O)CNc2ccc(C)cc2)c1 408531252 NPLLVBOOLHTWEB-AWQFTUOYSA-N 392.253 3.034 50 40 GGGB O=C(NNC(=O)c1ccco1)c1cccc(NC(=O)c2ccccc2Cl)c1 409222404 CDGVWQRDCHVVKZ-UHFFFAOYSA-N 383.791 3.260 50 40 GGGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2O)c1C 408591463 UBMAXJNANFMHPK-YDZHTSKRSA-N 391.427 3.350 50 40 GGGB CCCN1CC=C2[C@@H](C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 33936197 INJLUPRJKXNPGW-VQIMIIECSA-N 377.879 3.475 50 40 GGGB N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)C[C@@H]1c1ccc(F)cc1 795208 UYACGFXWBOYMKJ-MRXNPFEDSA-N 387.480 3.346 50 40 GGGB Cn1c(SCC(=O)N/N=C/c2cccs2)nnc1-c1cccc(Cl)c1 2265657 ZNGCLECYRCHILF-GIJQJNRQSA-N 391.909 3.439 50 40 GGGB COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 4207694 CTCSDKGVWUDGSB-SSDVNMTOSA-N 391.855 3.425 50 40 GGGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)cc1C 9376524 VHIJPXISEISGCP-UHFFFAOYSA-N 382.338 3.042 50 40 GGGB CCOc1cc(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)c1O 409230067 WUHGSTJZFJDELS-JMIUGGIZSA-N 395.228 3.385 50 40 GGGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 408829681 PWZSSDWBJYRNHV-RQZCQDPDSA-N 381.384 3.442 50 40 GGGB CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccc(Cl)cc4)[C@@H]3[C@H]1CC2 144013089 VQFVQSKBUXDLQC-DQEVTTJGSA-N 375.863 3.226 50 40 GGGB CN(C)c1ccc(/C=N/NC2=N[C@@H]3CCC[C@@H](Br)[C@H]3S2)cc1 257346752 BREBZNSSLCAGBN-OTHYREKESA-N 381.343 3.464 50 40 GGGB Cc1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1Cl 2627843 FNYGQDSMEDYAJV-UHFFFAOYSA-N 397.656 3.251 50 40 GGGB C[C@H](NC(=O)COc1ccccc1)C(=O)NNc1ccc(Cl)c(Cl)c1 32904773 GZGBGNVZQXDGMM-NSHDSACASA-N 382.247 3.020 50 40 GGGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc(Cl)cc1 6506019 JUNUTWLINQOWGQ-UHFFFAOYSA-N 398.600 3.086 50 40 GGGB COc1ccc(CCC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 12754983 SGPVSIJVJUNGOR-INIZCTEOSA-N 392.455 3.396 50 40 GGGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(OC)c1 408802671 FXNMUAGVECZUFC-LFIBNONCSA-N 377.400 3.460 50 40 GGGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408612069 UITLBSBNDSTIEE-LSHDLFTRSA-N 394.258 3.159 50 40 GGGB CCOc1ccc(NC(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1 408851487 KPIITRUSDFBIQK-JMIUGGIZSA-N 391.811 3.358 50 40 GGGB COc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1OC 1500995 UCDQUXFKMDOYQA-KEBDBYFISA-N 392.253 3.029 50 40 GGGB CCCN1C(=O)[C@@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C)C[C@@H]32)c2ccccc21 4103630 TVMAWGLOBOWAHG-SKDDIYDISA-N 397.482 3.437 50 40 GGGB Cc1cc(C)nc(NNC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)n1 13011969 XHWAMLWVWUPAOG-UHFFFAOYSA-N 387.447 3.107 50 40 GGGB CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-] 13847770 XPZFUHFSRMPYCH-BHVHYETOSA-N 397.387 3.216 50 40 GGGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)C(C)(C)C 408789118 JLWPIKVDPGMLTN-RGVLZGJSSA-N 393.431 3.010 50 40 GGGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1 96504881 XWSNOJSDRWDSSI-UCQKPKSFSA-N 375.428 3.485 50 40 GGGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1 6454386 NJKAHLLNFMHTTO-UHFFFAOYSA-N 376.412 3.446 50 40 GGGB O=C(N/N=C/c1ccc(O)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 409266788 REPZQYQJGREXBZ-FBCYGCLPSA-N 386.622 3.441 50 40 GGGB O=C(COc1cccc(Cl)c1)N/N=C\c1cccn1-c1ccc(C(=O)O)cc1 409244709 HPGFEDUOUPGDML-UUYOSTAYSA-N 397.818 3.358 50 40 GGGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 408768888 LAXQKJGCEVIAJN-ZSOIEALJSA-N 391.265 3.291 50 40 GGGB CC(C)c1c(C(=O)NNC(=O)c2ccccn2)cnn1-c1ccc(Cl)cc1 32779783 NYOPPPQZJCJEJU-UHFFFAOYSA-N 383.839 3.119 50 40 GGGB CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c1 6263069 QZYSYIOYPNHKBF-UHFFFAOYSA-N 391.880 3.077 50 40 GGGB CNC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 843137 YTDOUIVBCRUXFT-RMKNXTFCSA-N 376.166 3.270 50 40 GGGB CCOC(=O)[C@]1(C#N)C(C#N)=C(N)C2=CCCC[C@@H]2[C@@H]1c1ccccc1OC 43701850 UCFGJXURHIVFAH-BPSNYSSFSA-N 377.444 3.328 50 40 GGGB CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2c(C)cccn2c1=O 3644309 HDWJAKSGYVJZBB-FOWTUZBSSA-N 388.427 3.147 50 40 GGGB COc1cc(C(=O)N/N=C(\c2ccccc2)c2ccncc2)cc(OC)c1OC 4144744 QGZSLZPRYCSPLE-HIXSDJFHSA-N 391.427 3.290 50 40 GGGB C#CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1Cl 4541092 JVHBGIIQBJJGOG-CQSZACIVSA-N 375.215 3.255 50 40 GGGB O=C(NNC(=O)c1ccc(Br)s1)c1ccc2ccccc2n1 6558067 FRBSJHNFMSXHJT-UHFFFAOYSA-N 376.235 3.134 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(O)c(OCC)c1)c1ccccc1 408980938 UMZBLGCJEGJLNJ-FEMWLQECSA-N 399.447 3.119 50 40 GGGB COc1ccc(CC(=O)N/N=C/c2cc(Br)c(C)o2)cc1OC 408829636 KHVBLDVMNQTMCO-GIJQJNRQSA-N 381.226 3.061 50 40 GGGB O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1cccc(Cl)c1Cl 3188380 RSTLNESUYUGKOM-AERZKKPOSA-N 392.164 3.324 50 40 GGGB COCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1 1766540 GPHKYTVYLKKHJR-GHRIWEEISA-N 380.400 3.044 50 40 GGGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1cccs1 20212875 QRIWRPCXKFBTIG-LDADJPATSA-N 399.925 3.016 50 40 GGGB COc1cccc(OCC(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 4679860 IWTDKZQFWPCFHG-UHFFFAOYSA-N 390.439 3.131 50 40 GGGB Cc1ccc(CC(=O)N/N=C/c2ccc(I)o2)cc1C 409184687 ZPYOMQADFBLDJH-RQZCQDPDSA-N 382.201 3.194 50 40 GGGB CCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 819734 SNWTVPKMNBDZRC-UEIZDATPSA-N 379.460 3.151 50 40 GGGB CCCCOc1ccc(C[C@H](N)C(=O)O)cc1N(CCCl)CCCl 5421927 NGCWWFUSPXKSBQ-AWEZNQCLSA-N 377.312 3.104 50 40 GGGB C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1429077 CZTJFMGHYRNPCK-VDCVXVNISA-N 392.209 3.275 50 40 GGGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1I 1029486 IQYTZUPFJGOQPL-OAHLLOKOSA-N 390.180 3.215 50 40 GGGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1O 677416 CSTFGGJEJBVLQF-NEAUJJJSSA-N 381.270 3.440 50 40 GGGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ncccn1)c1ccccc1O 409115994 KXYXXEBAGIWXAP-NHDPSOOVSA-N 395.400 3.006 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1OCC(=O)O 408987080 VMKJSUYVCJWIBH-CXUHLZMHSA-N 380.400 3.321 50 40 GGGB CCc1ccc(-n2nc(C(=O)N/N=C\c3cccc(C)c3)c(C)c(C#N)c2=O)cc1 409061707 GJGRAKYRSRFNJU-QFEZKATASA-N 399.454 3.047 50 40 GGGB COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCOc1ccccc1C 4207667 PVTXQPVGACHAJS-SRZZPIQSSA-N 377.828 3.117 50 40 GGGB O=C(CCC(=O)NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1 11612236 SYYLKJFYVHDYTD-UHFFFAOYSA-N 391.258 3.374 50 40 GGGB O=C(N/N=C/c1ccc2c(c1)OCCO2)c1cc2cc([N+](=O)[O-])ccc2s1 6473243 NXJAQNLJRYHPPU-VXLYETTFSA-N 383.385 3.345 50 40 GGGB C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)c1cc(N)cc([N+](=O)[O-])c1 4357513 RHZVQYKKCJXKNU-OEAKJJBVSA-N 397.435 3.237 50 40 GGGB O=C(CCCl)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 2451442 FANBMKWKPGJQPV-UHFFFAOYSA-N 396.925 3.177 50 40 GGGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 840406 UCUDWSQDEWJXCO-VIFPVBQESA-N 398.202 3.130 50 40 GGGB COc1cc(C)ccc1C(=O)N/N=C/c1cccn1-c1cccc(C(=O)O)c1 409107546 SCCPGTNZYKFXGB-LPYMAVHISA-N 377.400 3.256 50 40 GGGB COC(=O)[C@@H]1C(=O)NC(SCc2cccc(F)c2)=C(C#N)[C@@H]1c1ccccc1 409124901 BUQAYOTURWOSMV-ROUUACIJSA-N 396.443 3.497 50 40 GGGB CCOC(=O)[C@H](Br)[C@@H](Br)c1cccc([N+](=O)[O-])c1 1602081 DPSIHSJLCLCPHI-VHSXEESVSA-N 381.020 3.357 50 40 GGGB CCOc1cccc(/C=N/NC(=O)c2ccc(I)cc2)c1 10118565 DGRUYXMUEMQKPR-WOJGMQOQSA-N 394.212 3.454 50 40 GGGB Cc1c(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2F)oc2ccccc12 12973736 GLSIZHJFWYPQDJ-UHFFFAOYSA-N 382.800 3.157 50 40 GGGB Cc1cccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(N)=O)c1 4539946 HTLYWESAWDZMSK-HGBKYHTQSA-N 377.469 3.215 50 40 GGGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408610281 NESCXSHPGVLVNA-FSJBWODESA-N 387.867 3.141 50 40 GGGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(O)c(Br)c1 409362900 KJPKQVFEBMMQNO-UFWORHAWSA-N 382.645 3.370 50 40 GGGB COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1[N+](=O)[O-] 40961673 JCLHTMCQXKPDEK-GIJQJNRQSA-N 379.825 3.499 50 40 GGGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13303127 GWQGGQDICGYITN-GRSHGNNSSA-N 380.316 3.126 50 40 GGGB O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(C(=O)N/N=C/[C@@H]2C[C@H]3C=C[C@H]2C3)o1 102024750 AFAUUXNDJLKADH-VFDQDATBSA-N 392.459 3.135 50 40 GGGB C#CCOc1cccc(/C=N/NC(=O)c2cc(Br)ccc2OC)c1 8812719 PHIHJXKCIHZPKX-UDWIEESQSA-N 387.233 3.234 50 40 GGGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 2394951 IGUDPUDEGXPCQX-BMYBCIMUSA-N 375.350 3.209 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2Br)cc1 408750234 YKASYGDNLJONSP-VXLYETTFSA-N 393.237 3.239 50 40 GGGB COc1ccc(NCC(=O)N/N=C/c2c(C)nn(Cc3ccccc3)c2C)cc1 7008603 GVZWRBVUESFXSQ-ZMOGYAJESA-N 391.475 3.119 50 40 GGGB CC(C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 408798123 UOEVMPSHSOXFNE-UOBPLZBXSA-N 391.471 3.374 50 40 GGGB C/C(=N\NC(=O)CN1CCCCC1)c1cccc(NC(=O)c2ccccc2)c1 408719189 LHPMQIWDCCNLBX-JJIBRWJFSA-N 378.476 3.265 50 40 GGGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1 409232620 RUILPKDAUYJHKO-AQTBWJFISA-N 377.444 3.386 50 40 GGGB O=C1/C(=C/c2ccccc2O)SC(=S)N1CN(CCCl)CCCl 68562333 LGVPALCBRFUQSV-LCYFTJDESA-N 391.345 3.331 50 40 GGGB O=C(N/N=C/C(Br)=C/c1ccccc1)[C@H]1COc2ccccc2O1 3147299 GHEFNNXELCDGNC-ZOPSNSMESA-N 387.233 3.364 50 40 GGGB COc1cccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1OC 6286650 JOZYHYRBMBPJGO-AUEPDCJTSA-N 381.354 3.285 50 40 GGGB COc1ccc(NC(=O)C/C(C)=N\NC(=O)c2ccc(Cl)cc2)c(OC)c1 4405124 NRHMBBMCJZHDRW-UUYOSTAYSA-N 389.839 3.492 50 40 GGGB Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)c1 8349212 LOTXMDBPZKUFKI-UHFFFAOYSA-N 381.259 3.379 50 40 GGGB COc1cc(/C(C)=N\NC(=O)Cn2cnc(-c3ccc(Cl)cc3)c2)ccc1O 4730436 GGRPPAXTXNADGI-QRVIBDJDSA-N 398.850 3.458 50 40 GGGB O=C1Nc2ccccc2/C1=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 5768716 OWZGBZQUCNOCEN-IBGZPJMESA-N 381.435 3.465 50 40 GGGB COc1cccc2cc(C(=O)N/N=C/c3ccc(N4CCOCC4)c(F)c3)oc12 409131164 NKWIMPQHYUWKJJ-YDZHTSKRSA-N 397.406 3.181 50 40 GGGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCC(=O)OC)cc2c1 409187830 UUADKPKOIVSNBK-UUYOSTAYSA-N 396.399 3.147 50 40 GGGB C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)COc1cccc(C)c1 4409408 OMEZFSMSXJEWKG-MFKUBSTISA-N 397.519 3.197 50 40 GGGB COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc(OC)c1OC 2743223 RQIOIVCKFUPMSO-KIHMUJGBSA-N 392.839 3.283 50 40 GGGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)o1 2432840 XIQLUPGZMNLANC-JLHYYAGUSA-N 387.823 3.324 50 40 GGGB N#C/C(=C\c1ccc(F)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 5525316 TVHMUEWEYHGGFM-SAPNQHFASA-N 375.407 3.307 50 40 GGGB CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H](CI)O2)C1 110915232 XEGXXMPNXYWNKF-RISCZKNCSA-N 381.254 3.370 50 40 GGGB O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1ccncc1 3219646 HAPKVCCVQRUNOE-QJQTWEGFSA-N 388.471 3.261 50 40 GGGB C=CCN1/C(=C(\C#N)C2=NS(=O)(=O)c3ccccc32)N(C)c2ccccc21 12512199 SWZHVFPFMUBXKZ-HMMYKYKNSA-N 376.441 3.056 50 40 GGGB Cc1ccc(C(=O)NNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c(C)c1 12740993 ZZSISUSGNOSUBS-UHFFFAOYSA-N 392.434 3.192 50 40 GGGB CCOC(=O)CSC1=C(C#N)C(O)=N[C@@H](c2ccc(OC)c(OC)c2)S1 2337085 WQUZEDLZKAXQDZ-MRXNPFEDSA-N 394.474 3.437 50 40 GGGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1)c1ccccc1 409139313 CMSJQNMWXGARCE-RGVLZGJSSA-N 379.328 3.317 50 40 GGGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1)c1ccccc1O 409043825 AULZZXVEQLOLFW-KEBDBYFISA-N 395.327 3.023 50 40 GGGB COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)C(F)(F)c1ccccc1 32624794 JTNRTWMPYKBESO-UHFFFAOYSA-N 387.342 3.363 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)n1 945612 GZQQGMSCTIDBBJ-SRZZPIQSSA-N 394.504 3.138 50 40 GGGB CC(=O)N/N=C/c1cc(Br)ccc1OCCOc1ccccc1 5726124 CWXCKVMHBQDJBT-XDHOZWIPSA-N 377.238 3.377 50 40 GGGB COCC(=O)N/N=C(\C)CC(=O)Nc1cc2oc3ccccc3c2cc1OC 100048252 NPPSVOKWLAJCBB-WSDLNYQXSA-N 383.404 3.062 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1O[C@H](C)C(=O)O 409019547 JQPAHBABHFCIGG-OJLMPMFISA-N 384.363 3.232 50 40 GGGB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)C(C#N)=C1Nc2ccccc2N1 13006612 HBLCDWWCMHEGRC-LLVKDONJSA-N 381.465 3.111 50 40 GGGB N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@H]1c1ccccc1F 8973338 FAYNJIXUQKFUCS-INIZCTEOSA-N 395.459 3.214 50 40 GGGB O=C(CSc1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 16491606 VONREKPUIKBIQP-UHFFFAOYSA-N 390.262 3.014 50 40 GGGB biogenic COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)ccc1OC(C)=O 408761843 LYXQKWOYMMVDDO-YBEGLDIGSA-N 378.384 3.369 50 40 GGGB C=C/C=N\NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 408736717 GDJUEWZMTIIUTF-AYUJEJKZSA-N 390.443 3.293 50 40 GGGB Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)NNc1nc3ccccc3cc1C)C2 1633038428 CAJFWXYGFRVMJX-JOCHJYFZSA-N 375.428 3.467 50 40 GGGB C[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 1066604 RMMCATFSIRSCGT-YXZFXQPTSA-N 390.237 3.129 50 40 GGGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CC(=O)N(CC2CC2)C1 32815733 PZCDPDDVOUHTBR-SECBINFHSA-N 376.671 3.348 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)c1c(C)nc2sccn12 58883739 FNBMPUCPTGYSFD-CAOOACKPSA-N 393.266 3.239 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1 408979276 LZBJWFRLCPCGDL-IXOWOOARSA-N 378.432 3.496 50 40 GGGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC#N)c(Br)c1 408771849 JOLNSEFZVBZMGR-WZUFQYTHSA-N 382.645 3.436 50 40 GGGB Cc1cccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(\C#N)C(N)=O)c1 12374282 HTLYWESAWDZMSK-DTBMRADHSA-N 377.469 3.215 50 40 GGGB Cc1ccccc1C(=O)NNC(=S)NC(=O)Cc1cccc2ccccc12 2551621 YGFOGCAXQOZEHP-UHFFFAOYSA-N 377.469 3.026 50 40 GGGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccncc2)cc1OC 28217908 ZUUDTDQKLBFSDX-RGVLZGJSSA-N 390.237 3.181 50 40 GGGB O=C(CCCl)Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1 408536267 VPZZHCUAFDXDKU-UHFFFAOYSA-N 399.882 3.163 50 40 GGGB CCOc1ccc(C(=O)N/N=C/c2ccccc2I)cc1 6048056 KHXKNELEJZAHQD-WOJGMQOQSA-N 394.212 3.454 50 40 GGGB CCCc1c(/C=N/NC(=O)Cc2ccccc2)c(OC)c2c(c1OC)OCO2 15085405 GTMSSMIOUSRSNV-WSDLNYQXSA-N 384.432 3.078 50 40 GGGB Cc1sc2ncn(CC(=O)N/N=C\c3ccc(C(C)C)cc3)c(=O)c2c1C 31783391 XISUTPQXZSZZDF-AFPJDJCSSA-N 382.489 3.349 50 40 GGGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1ccc(O)cc1 841824 XKSSIWUZITXPJU-INIZCTEOSA-N 379.441 3.103 50 40 GGGB Cc1ccc(NCC(=O)N/N=C2\C(=O)N(CCC(C)C)c3ccccc32)cc1 102977499 QFYFRYWVMFRZDN-DAFNUICNSA-N 378.476 3.320 50 40 GGGB CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1ccccc1)C(C#N)=C(N)O2 2257652 BBMPZWFURLKDLA-FQEVSTJZSA-N 392.503 3.107 50 40 GGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1 2254322 OZMWMOOOLNWWKA-LJQANCHMSA-N 389.411 3.025 50 40 GGGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)c(C)c1 12852002 LWJFXTHHTFPZJS-UHFFFAOYSA-N 378.519 3.257 50 40 GGGB COc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 4735289 HHUULMHLDZPGRX-VCHYOVAHSA-N 392.209 3.059 50 40 GGGB C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccccc1 408779207 SEOBAXNABRADFB-CJLVFECKSA-N 395.484 3.146 50 40 GGGB CCOc1ccc(Cl)cc1/C=N/NC(=O)CSc1nc(C)cc(C)n1 409106448 NNWWGFSOWSUDKA-DJKKODMXSA-N 378.885 3.388 50 40 GGGB COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2ccc(C)o2)C(C#N)=C(N)O3)c1 5130611 DRGZXLMAVRADHP-INIZCTEOSA-N 378.388 3.214 50 40 GGGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 7385296 KZKJRHQEKMOULK-JJIBRWJFSA-N 391.471 3.461 50 40 GGGB CCOC(=O)N/N=C\c1c(O)c(OC)cc(Br)c1Br 18193816 SVSFJNXCXCXEPU-RZNTYIFUSA-N 396.035 3.006 50 40 GGGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(Br)cc1 1499832 FDMFIGDVAVLMMH-VXLYETTFSA-N 393.237 3.239 50 40 GGGB COc1cc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc(OC)c1OC 3402418 VOOPPPUWAAQOCM-GDNBJRDFSA-N 381.432 3.324 50 40 GGGB O=C(N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccncc1 408873433 RENXPTKNCGLOFL-XKZIYDEJSA-N 376.372 3.333 50 40 GGGB C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(N2CCOCC2)cc1 4865015 NQCKHLGPUXKBNW-XQNSMLJCSA-N 389.459 3.067 50 40 GGGB COc1cc(/C=N/NC(=O)c2n[nH]c3c2C[C@H](CC(C)(C)C)CC3)ccc1O 5351205 JUCYFSMCWJSBGR-UMYHVIPVSA-N 384.480 3.429 50 40 GGGB O=C(NNC(=O)c1cnc(Cl)cc1C(F)(F)F)c1cccc(Cl)c1 2243785 PHARWVJVYLEFOX-UHFFFAOYSA-N 378.137 3.482 50 40 GGGB COc1ccc(-c2nc(CC(=O)NNc3ccccc3[N+](=O)[O-])cs2)cc1 19171555 BWYNOCUEMJSKJK-UHFFFAOYSA-N 384.417 3.413 50 40 GGGB Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1C 408785632 XKQZRTKQJNNHHP-RQZCQDPDSA-N 381.217 3.010 50 40 GGGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1ccccc1Cl 409067982 FETDXKGUKFFOFF-XKZIYDEJSA-N 387.867 3.014 50 40 GGGB COC(=O)Cn1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)c2ccccc21 216049084 AXZWFJQZXJRFMW-FSJBWODESA-N 377.444 3.124 50 40 GGGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N32)c1 12275366 RWJBCAFYGJFPLY-LAUBAEHRSA-N 396.443 3.477 50 40 GGGB O=C(N/N=C1/C[C@@H]2CC=C[C@@H]12)c1ccc(NS(=O)(=O)c2cccs2)cc1 36187563 FOURUXXKOVJJRM-UBSPPKPUSA-N 387.486 3.231 50 40 GGGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccccc2OCC(=O)O)cc1 4813974 GBKXWXDRXNLEDJ-SRMCNWIXSA-N 384.432 3.193 50 40 GGGB O=C(N/N=C/c1cc2cc3c(cc2nc1Cl)OCO3)c1ccc([N+](=O)[O-])cc1 5452130 YOHLDOQDYGQVRJ-DNTJNYDQSA-N 398.762 3.289 50 40 GGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N32)cc1 12275401 JMVIXPMDUYXWGT-UWJYYQICSA-N 396.443 3.477 50 40 GGGB O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1ccccc1 6680344 CTMOORJHJLZVLO-NNYUYHANSA-N 387.071 3.113 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1Br 409355322 CDQIMLZUMRFEDE-UFFVCSGVSA-N 393.260 3.216 50 40 GGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3C[C@@]4(C)CC[C@@H]1[C@@]23OO4 616567869 PHHJXGOLHNDELL-LYZHNABCSA-N 382.453 3.061 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1O 13914997 IAFANNRWSWVYSJ-AUWJEWJLSA-N 387.233 3.387 50 40 GGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)cc1OC 1068197 ZKKMMGINWYGPOR-KRWDZBQOSA-N 392.390 3.451 50 40 GGGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(O)c(OC)c2)nc2ccccc21 946793 VKCASCLMIAKJTI-LPYMAVHISA-N 398.488 3.403 50 40 GGGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc(N)cc1 100922302 QZDQQJZSRWDMSN-BHGWPJFGSA-N 378.354 3.422 50 40 GGGB COc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 409015450 ZUMIFWBAWXEPOZ-AWQFTUOYSA-N 376.796 3.096 50 40 GGGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@H]2C1 5488766 ZDYAIAYAGVDPCR-FUHWJXTLSA-N 397.404 3.451 50 40 GGGB C/C(=N\NC(=O)c1sc2nc(C)cc(C)c2c1N)c1ccc2c(c1)OCO2 17432169 CUEPZZQSICHXJH-SSDVNMTOSA-N 382.445 3.378 50 40 GGGB Cc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1ccccc1 83311120 RAVSNLAYERTBSG-XYGWBWBKSA-N 388.471 3.251 50 40 GGGB CCOc1ccc(/C(C)=N\NC(=O)CC2(C)SCCS2)cc1[N+](=O)[O-] 12412249 ZHEMCMQGGMNTJK-BOPFTXTBSA-N 383.495 3.420 50 40 GGGB Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1NC(=O)c1ccccc1 8334520 YPAKZCYYIQUTGE-YDZHTSKRSA-N 378.407 3.392 50 40 GGGB COc1cc([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)ccc1O 814498 VCPVNZFKMITRJV-HXUWFJFHSA-N 388.427 3.101 50 40 GGGB CN(CCC#N)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 3263455 BWADXMNGVKVDGN-IBGZPJMESA-N 376.460 3.487 50 40 GGGB CCOc1cccc([C@H]2C(C#N)=C(c3ccccc3)OC(N)=C2C(=O)OC)c1 669035 ZJRJWEYYDLAIIY-SFHVURJKSA-N 376.412 3.477 50 40 GGGB COC(=O)c1ccccc1NC(=O)NNC(=O)c1ccc(OC2CCCC2)cc1 5060155 WIRXUTMVWCHMBM-UHFFFAOYSA-N 397.431 3.261 50 40 GGGB Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)n1 408988324 RZVQBLKWQLPDQN-AWQFTUOYSA-N 389.246 3.106 50 40 GGGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cc(C)ccc1C 408707606 KWKHCFGINGJKOW-FSJBWODESA-N 384.867 3.453 50 40 GGGB COc1ccc(COc2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cc2)cc1 408734964 MDUCMPFHDJEZMK-OOIVEFLKSA-N 392.455 3.476 50 40 GGGB COc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 408904454 JSNHHDFGCAMJJN-NVMNQCDNSA-N 384.304 3.022 50 40 GGGB N#CC1=C(N)Nc2nc(N3CCCCC3)nc(O)c2[C@@H]1c1ccc(Cl)cc1 30874435 DAOAPJMELMSITF-CQSZACIVSA-N 382.855 3.077 50 40 GGGB Cc1ccc(NS(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NN)cc1 98212007 GZFIOOFCTBTHMI-UHFFFAOYSA-N 387.486 3.128 50 40 GGGB O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccccc1 101072501 CTMOORJHJLZVLO-KKOKHZNYSA-N 387.071 3.113 50 40 GGGB CCOc1ccc2nc(SCC(=O)NNC(=O)c3ccco3)c(C)cc2c1 933030 SKYVALBBAGCFML-UHFFFAOYSA-N 385.445 3.088 50 40 GGGB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1 2348037 VJHRWJDEQDSEIX-SRZZPIQSSA-N 381.367 3.051 50 40 GGGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c1C 408971123 MQGKRVVMKVJHAW-OEAKJJBVSA-N 380.492 3.302 50 40 GGGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(N2CCCC2)cc1 408959687 DFDXHIOETWZBAA-DEDYPNTBSA-N 384.461 3.437 50 40 GGGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1O 408796766 ZCMRIDLLQPCNFY-GZTJUZNOSA-N 392.411 3.462 50 40 GGGB CN(CC(=O)N/N=C/c1c(O)ccc2ccccc12)C(=O)OCc1ccccc1 6178102 FHUMKMNGGSNAKI-YDZHTSKRSA-N 391.427 3.264 50 40 GGGB O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1F 1754007 LAZNLGDQUNSWDZ-ODCIPOBUSA-N 383.210 3.404 50 40 GGGB CC(C)c1noc(CCC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 30716894 ZRRFUJIWQBXMPF-UHFFFAOYSA-N 387.318 3.196 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc(Cl)c1O 6958780 BXXBHMXYMJTKOO-AWQFTUOYSA-N 396.230 3.187 50 40 GGGB C[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 23055130 KQHISDZVKSENHC-WFASDCNBSA-N 380.473 3.272 50 40 GGGB O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccnc1 100390600 SJAPVGUJJRHYKF-CLCOLTQESA-N 390.830 3.416 50 40 GGGB CCn1c2ccccc2c2cc(NC(=O)C(=O)N/N=C3/CCSC3)ccc21 4675238 BVJKRHJIBUWYDT-HMAPJEAMSA-N 380.473 3.362 50 40 GGGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)c1 408599068 OGTULMWLMFOPET-CIAFOILYSA-N 393.355 3.405 50 40 GGGB COc1cccc(C(=O)N/N=C/c2cc(OC)c(N3CCCC3)cc2OC)c1 409105509 ICTBLUJGOBCARA-HYARGMPZSA-N 383.448 3.077 50 40 GGGB CCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 408610514 NOEQOGJYAQXSOB-LSHDLFTRSA-N 394.258 3.159 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1OC 6189202 DCMQKUYBLYYQRG-YDZHTSKRSA-N 392.459 3.329 50 40 GGGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2cc(C)cc(C)c2)cc1OC 5379032 DWOFLFGNKFXTDN-LFVJCYFKSA-N 397.475 3.384 50 40 GGGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 4750690 YAHUTNFLFQLGPW-UHFFFAOYSA-N 377.282 3.427 50 40 GGGB O=C(NCCc1ccccc1)[C@@H]1[C@@H](C(=O)OC(CCl)CCl)[C@H]2C=C[C@H]1C2 101657640 VVGKSGDVIYYAIP-LAQRGFTBSA-N 396.314 3.173 50 40 GGGB C[C@@H](C(=O)N/N=C/c1ccccc1F)n1cnc2sc3c(c2c1=O)CCCC3 958183 ZGZYAJPLVQQRKF-RPCHLKFKSA-N 398.463 3.187 50 40 GGGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c(OC)c1 107852744 OZFBPDCEOTXMMZ-HYARGMPZSA-N 385.464 3.323 50 40 GGGB COc1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)cc([N+](=O)[O-])c1O 45704815 VMADNCYPYGUSDH-ONNFQVAWSA-N 398.762 3.263 50 40 GGGB CCCCN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21 12420088 SCRZXIKBBNILBC-QHCPKHFHSA-N 391.471 3.438 50 40 GGGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)N1CCOCC1 108232810 PAPLCIFOBOZWIA-FMIVXFBMSA-N 387.779 3.274 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1 408979277 LZBJWFRLCPCGDL-WQZUMXOESA-N 378.432 3.496 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(O)c1 409393524 YAWXIBNDFYOCCO-RGVLZGJSSA-N 381.344 3.333 50 40 GGGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc2c(c1)OCO2 8103773 FPVPXFIBCJCKFM-KEBDBYFISA-N 379.328 3.347 50 40 GGGB CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cccc(C(=O)OC(C)C)c2)o1 16693754 VKNJMWNLQCXWFJ-YVLHZVERSA-N 390.395 3.392 50 40 GGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 28214940 KQEIXJWOZDLFBM-ZVHZXABRSA-N 388.427 3.171 50 40 GGGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)Cc1ccccc1 2269975 NWHDOHWKAHBSFC-MFKUBSTISA-N 389.455 3.048 50 40 GGGB COc1ccc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1Cl 5918058 MBAUXCAUICHTJD-SSDVNMTOSA-N 397.818 3.296 50 40 GGGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccccc2C)c(Br)c1 40144676 MZXOWNSOJPPNFI-CYBMUJFWSA-N 391.265 3.294 50 40 GGGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409044954 DUDGBHQYYTXVMR-SSDVNMTOSA-N 392.367 3.066 50 40 GGGB O=C(N/N=C/c1ccc(F)cc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 5634096 YTKCGNZGIWPCOZ-LPYMAVHISA-N 384.411 3.096 50 40 GGGB C[C@@H](C(=O)N/N=C\c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CCCC3 31858955 MZHYSFGURGFHIO-XNIDKHOESA-N 398.463 3.187 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccnc2ccccc12 102090674 DFOPEEMTTOGWLD-SFHVURJKSA-N 379.375 3.376 50 40 GGGB CO[C@]1([C@H](Cl)c2ccccc2)C(=O)N(C)/C(=C\c2ccccc2)C(=O)N1C 104240267 GVPXBASNZUEQDE-PUMATGRBSA-N 384.863 3.281 50 40 GGGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(NC(C)=O)cc1 107758257 XJMVQXFLAZQOOP-BKUYFWCQSA-N 397.435 3.163 50 40 GGGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc(NCc2ccccc2O)cc1 28615374 BCGWKKYLRDLXJC-MSXFZWOLSA-N 389.411 3.497 50 40 GGGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(OCC)cc1 408708310 PAFXWQCCLYEREK-WSDLNYQXSA-N 388.855 3.069 50 40 GGGB O=C(N/N=C/c1ccccc1O)c1ccn(Cc2cccc(Br)c2)n1 1081716 TVCMJAHTJGTERM-RGVLZGJSSA-N 399.248 3.163 50 40 GGGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 5653941 DZCMYEIUJQBBPU-LFIBNONCSA-N 380.400 3.426 50 40 GGGB CO[C@@H]([C@@H](O)c1ccc2c(c1)OCO2)P(=O)(c1ccccc1)c1ccccc1 1613364 KDRQDHKZFXFOJE-FCHUYYIVSA-N 396.379 3.435 50 40 GGGB COc1ccc(OCCN(CCBr)CCBr)cc1 1631293 HJXAJGQNOOCORE-UHFFFAOYSA-N 381.108 3.166 50 40 GGGB C#CCOc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1 108027465 YSVTWIBGZOCADI-XIEYBQDHSA-N 384.435 3.085 50 40 GGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccccc1OCC 408606871 RPOVXHNPWMHCFV-INIZCTEOSA-N 384.461 3.033 50 40 GGGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)cc2)N2C(=N1)SC(C#N)=C2N 408603389 GJSTWEZGQZCBPB-QGZVFWFLSA-N 398.488 3.423 50 40 GGGB O=C(NNC(=O)C1c2ccccc2Oc2ccccc21)c1cccnc1Cl 2556184 KAKUQDOHKCYTTP-UHFFFAOYSA-N 379.803 3.434 50 40 GGGB COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 4355214 YHZNBYXYYTWWLR-UHFFFAOYSA-N 394.822 3.234 50 40 GGGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 408813517 XUFCIOTZOUZDBA-HUCUOGIVSA-N 378.428 3.413 50 40 GGGB COC(=O)[C@H]1C(=O)NC(SCc2cccc(F)c2)=C(C#N)[C@H]1c1ccccc1 409124900 BUQAYOTURWOSMV-QZTJIDSGSA-N 396.443 3.497 50 40 GGGB N#C/C(=C/c1cc(Br)ccc1OCCOc1ccccc1)C(N)=O 4603703 QUXGANMCSQRZAM-UVTDQMKNSA-N 387.233 3.299 50 40 GGGB N#CSc1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 15930156 HDYMFQXTFHYFKV-DHDCSXOGSA-N 398.831 3.492 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)O 408805649 BKHQUAMBYGKCBZ-LZNAANCOSA-N 394.427 3.333 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC 206853867 HNDZRNDEGYOJCD-LWLPBDFMSA-N 381.388 3.396 50 40 GGGB Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1ccc(Cl)cc1)C(=O)N2 5093708 KKPOMIMUDZWWPX-UHFFFAOYSA-N 392.640 3.497 50 40 GGGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)CCc2ccccc2)c([N+](=O)[O-])c1 100929968 JTJXYLPLPRNEKZ-HYARGMPZSA-N 398.419 3.057 50 40 GGGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O 2411862 BKNDFYYMAAQHRG-ACCUITESSA-N 379.347 3.096 50 40 GGGB Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccco2)cc1 409218012 GSPQRAWVDUBKCQ-MTJSOVHGSA-N 393.355 3.479 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1O 8085938 CMYVEWSMJAXGOZ-SRZZPIQSSA-N 389.839 3.096 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)cs2)n1 8336659 BMVLMFJWUUWMRQ-PJQLUOCWSA-N 385.312 3.160 50 40 GGGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1ccccc1O 3231953 ZVFFPVBGWQKVSY-HZHRSRAPSA-N 389.459 3.250 50 40 GGGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 408975074 JPHHIUZPAFRENQ-SSDVNMTOSA-N 392.367 3.066 50 40 GGGB C[C@]12C[C@@H](Br)[C@@H](O)C[C@@]1(C)C2(Br)Br 45028166 UNNVKMAHOLSSIG-VGRMVHKJSA-N 376.914 3.417 50 40 GGGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1O 96822619 FYOKITHIJBXQAI-UWVJOHFNSA-N 389.751 3.473 50 40 GGGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2c(OC)cccc2OC)c(OC)c1 951080 BMXNIWANPNRDFH-GXDHUFHOSA-N 397.383 3.012 50 40 GGGB CC(C)CCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2)c2ccccc21 8560466 YMXOLMGQILGIDA-VXPUYCOJSA-N 386.455 3.274 50 40 GGGB Cc1sc2nc(CSC3=C(C#N)C(C)(C)[C@H](C#N)C(=O)N3)nc(N)c2c1C 8747145 BGTZKJSLNHVQLE-SNVBAGLBSA-N 398.517 3.155 50 40 GGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1 59436934 VVJURTJGOLJYQF-ZMOGYAJESA-N 388.427 3.171 50 40 GGGB COc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc(OC)c1OC 1092156 DDPQJUBTYPKWDE-ZMOGYAJESA-N 393.443 3.428 50 40 GGGB CC(C)CCOc1ccc(C(=O)NNS(=O)(=O)c2cc(F)cc(F)c2)cc1 12793688 AIQWOPWEQNDDFH-UHFFFAOYSA-N 398.431 3.013 50 40 GGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(C)=O)c2)cc1 408764602 XQYYYDRGDZODKQ-GZTJUZNOSA-N 378.384 3.334 50 40 GGGB CCCCn1c(O)c(C(=O)N/N=C/c2ccccc2F)c(=O)c2ccccc21 5737681 DBWSXCXIVGVRSL-YDZHTSKRSA-N 381.407 3.410 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)cc1 7896477 OEPRUGPBYHXDOK-OQLLNIDSSA-N 391.379 3.466 50 40 GGGB C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cccn3Cc3ccncc3)cc2C1 72280664 YVOUOQXMGQUUBR-CQSZACIVSA-N 394.500 3.193 50 40 GGGB O=C(N/N=C/c1ccccc1O)c1ccn(Cc2ccc(Br)cc2)n1 1089402 UTLPHZFIMSIGKG-RGVLZGJSSA-N 399.248 3.163 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(OC)c1OC 4550947 GMVJKEVGJAIOHE-RIYZIHGNSA-N 397.387 3.475 50 40 GGGB Cn1c(=O)n(C)c2cc([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)ccc21 3640164 WUMBDSOMGGHEJT-FQEVSTJZSA-N 382.423 3.248 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(C)=O 7894014 GSCKIRCDAPWXBY-VXLYETTFSA-N 391.221 3.147 50 40 GGGB O=C(CC(=O)N/N=C/c1c(Cl)cccc1Cl)NCCc1ccccc1 59516033 QOCUCBSPKZWTEZ-WSDLNYQXSA-N 378.259 3.193 50 40 GGGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)c1ccccc1-n1cccc1 5798657 ULTJJPCPUKXTLA-HAHDFKILSA-N 385.427 3.441 50 40 GGGB COc1ccc(C(C)=O)cc1CC(=O)NNc1c(F)c(F)c(F)c(F)c1F 7988090 LUYFDQQRTKJJIK-UHFFFAOYSA-N 388.292 3.279 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1O)[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 95532867 MIGUEPYMUYUVKI-YBTWFPHOSA-N 390.395 3.129 50 40 GGGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccc(Cl)cc1Cl 5375458 KURYBGHGEIRAHH-MRXNPFEDSA-N 397.214 3.114 50 40 GGGB O=[N+]([O-])c1ccc(NC[C@H](Br)CBr)c([N+](=O)[O-])c1 104383111 XZYZZNAEHFBAHK-ZCFIWIBFSA-N 382.996 3.073 50 40 GGGB CN(C)c1nc(N)nc(/C(C#N)=C/c2cccc(OCc3cccc(C#N)c3)c2)n1 44026512 IUKIIFPUFVYJAW-VCHYOVAHSA-N 397.442 3.035 50 40 GGGB CC1=C(C#N)C(=O)N(CCC(C)C)C(=O)/C1=C\Nc1ccc2c(c1)OCCO2 9420079 LEQYQADJROCPPJ-ATVHPVEESA-N 381.432 3.009 50 40 GGGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)c(O)c1 4711026 NZLOLHWXCCGIPG-LDADJPATSA-N 379.460 3.470 50 40 GGGB CC(C)n1cc(/C=N/NC(=O)CNC(=O)c2ccccc2F)c2ccccc21 409157278 PPONNWIRQWWCDD-BHGWPJFGSA-N 380.423 3.241 50 40 GGGB O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)c1 83326791 CUEXXTPXJOFPPS-JMIUGGIZSA-N 395.327 3.023 50 40 GGGB O=C(CCCCC(=O)N/N=C/c1ccc(F)cc1)N/N=C\c1ccc(F)cc1 30826567 FCLZQLCTLWDKKK-NQGGHMMCSA-N 386.402 3.126 50 40 GGGB COc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccco1 30774247 ZYYXIXLCRBNEET-UUYOSTAYSA-N 382.347 3.410 50 40 GGGB Cc1cc(C(=O)NN)c(C)n1-c1cc(Br)ccc1Br 223718856 UHIDCPJVYZTUHW-UHFFFAOYSA-N 387.075 3.223 50 40 GGGB Cc1nc([N+](=O)[O-])c(SC[C@@H](O)CCl)n1Cc1ccc(Cl)cc1 4893728 QPKRPINCRBFHOG-LBPRGKRZSA-N 376.265 3.493 50 40 GGGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])o2)c(C#N)c1C 108023886 GKULAUPVESJGPH-IZZDOVSWSA-N 399.384 3.325 50 40 GGGB COc1cc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)ccc1OCCC(C)C 12601925 RJMVDYVZUUDHCO-UHFFFAOYSA-N 396.447 3.071 50 40 GGGB C[C@H](SC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1)C(=O)Nc1ccccc1Cl 12622489 FJLJRYJSNWXEGG-QWRGUYRKSA-N 388.880 3.431 50 40 GGGB N#C/C(=C/c1ccc(Br)o1)C(=O)N1CCN(c2ccccc2)CC1 111903255 BYUBXSZAYUHBSR-OWBHPGMISA-N 386.249 3.298 50 40 GGGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)Nc1ccccc1 409076062 XGTIJIDNALNNOT-PXNMLYILSA-N 379.170 3.219 50 40 GGGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 408756653 RWNVHCPRQFDQQY-INKLHFNDSA-N 392.415 3.349 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1 1501005 AVGYMJYQGZWNER-RGVLZGJSSA-N 375.270 3.077 50 40 GGGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 20238222 NPSUDQHPHPUFDL-MRXNPFEDSA-N 396.428 3.403 50 40 GGGB O=C(CCc1ncc(-c2ccccc2)o1)NNC(=O)c1cc(Cl)ccc1O 11838101 VAJIFJDONGPAOY-UHFFFAOYSA-N 385.807 3.094 50 40 GGGB CN1C(=C(C#N)C(=O)COC(=O)/C=C/c2ccc(F)cc2)N(C)c2ccccc21 12521565 FXKLCJOPFHZWDQ-FMIVXFBMSA-N 391.402 3.273 50 40 GGGB CCOc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1 10476095 ODXDWFLAIDGBDT-WOJGMQOQSA-N 394.212 3.454 50 40 GGGB Cc1c(C(=O)NNC(=O)c2ccccc2O)oc2ccc(Br)cc12 17525962 LKDSQOFTURTPHL-UHFFFAOYSA-N 389.205 3.284 50 40 GGGB CC[C@@H]1CCc2sc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc2C1 9376540 DDHBCVVREJPCIQ-CYBMUJFWSA-N 396.516 3.153 50 40 GGGB N#CCn1cc(/C=N/NC(=O)COc2cccc3cccnc23)c2ccccc21 409381769 JMIFLFKHFQRCCO-DHRITJCHSA-N 383.411 3.242 50 40 GGGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)Cc1cccc2ccccc12 3085509 ZFMOCEFLOGYSNX-LPYMAVHISA-N 393.399 3.458 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC 206853910 HNDZRNDEGYOJCD-WPBJZHHJSA-N 381.388 3.396 50 40 GGGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1COc2ccccc2O1 4952397 MPQFJUKDQXNXNL-WVGJEZMVSA-N 393.355 3.145 50 40 GGGB O=C(N[C@H](Cc1ccc(N(CCF)CCCl)cc1)C(=O)O)c1ccccc1 2037974 MMDMENBHDGFFBO-GOSISDBHSA-N 392.858 3.127 50 40 GGGB CSc1ccc(/C=N/NC(=O)[C@@H](NC(=O)Cc2cccs2)C(C)C)cc1 33957943 VDLOQANVIVXJDD-TYJAPOHBSA-N 389.546 3.304 50 40 GGGB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4[C@@H](Cl)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 118926560 GXEPQZPCYMHNEU-XQQHXSBKSA-N 380.912 3.315 50 40 GGGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)C2CC2)c1 5381077 MHSWKORBNYJWHG-XKZIYDEJSA-N 380.404 3.026 50 40 GGGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 14187168 LXSDVWJQKMCEMI-CYBMUJFWSA-N 383.379 3.018 50 40 GGGB CC[C@H]1CCc2sc(C(=O)N/N=C/c3ccccc3OCC(=O)O)cc2C1 4952017 XKJFKBFKJZSJDE-PUFAJPFRSA-N 386.473 3.490 50 40 GGGB CN(C)c1ccc(/C=N/NC2=N[C@H]3CCC[C@H](Br)[C@@H]3S2)cc1 5334056 BREBZNSSLCAGBN-AXAUGEFXSA-N 381.343 3.464 50 40 GGGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)C3CCCCC3)cc2)cc1 3291148 QYOSBCVTNMCSMQ-UHFFFAOYSA-N 377.444 3.332 50 40 GGGB O=C(COc1cccc2cccnc12)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 409024355 XIPOFVNYHKEMCW-FBHDLOMBSA-N 384.779 3.326 50 40 GGGB C=CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc1 96299734 WYRGRNXSUQWEMI-SFHVURJKSA-N 384.391 3.392 50 40 GGGB CCOC(=O)Cn1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc21 409233789 XFZJXMPRDWOHHZ-FMCGGJTJSA-N 381.407 3.036 50 40 GGGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 100359672 LVPGJKWKLXNFSQ-MFKUBSTISA-N 397.519 3.410 50 40 GGGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102083196 YIHRCHUSBRZVJE-HDICACEKSA-N 392.367 3.270 50 40 GGGB Cn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nnc1-c1ccco1 6999972 HGIOUKMLYUKUQH-UHFFFAOYSA-N 378.417 3.009 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(N(C)C)cc1)c1ccccc1 408980663 RZQYXTKWONDRED-OMNSNBSWSA-N 382.464 3.080 50 40 GGGB COc1ccc(OCC(=O)N/N=C/c2ccc(C)cc2O)c(Br)c1 1435040 ZKXDSUAUZZZYOL-DJKKODMXSA-N 393.237 3.001 50 40 GGGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)c(Cl)c3)[C@@H]2C1 22000809 MMDTVRCLFDDTRG-RHSMWYFYSA-N 384.270 3.349 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2O)cc1OC 59447347 FFEFZOXWCRZUKU-VXLYETTFSA-N 393.237 3.326 50 40 GGGB Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4661054 MKHISWFNMGPDAU-GZTJUZNOSA-N 393.447 3.385 50 40 GGGB Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 7948548 MRDDXSGVFKMZDC-UHFFFAOYSA-N 390.443 3.118 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1 408725843 LEGOVTDJYLLIFT-VXLYETTFSA-N 393.237 3.239 50 40 GGGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 3055815 ZDJLWTKBKVSVLA-ZVBGSRNCSA-N 384.650 3.413 50 40 GGGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1cccc(O)c1 100048480 ZMFNRBBKLGLGEM-RGVLZGJSSA-N 390.237 3.289 50 40 GGGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1 806462 QWCXUWSXCNFGAT-QGZVFWFLSA-N 384.432 3.163 50 40 GGGB COc1cc(CN(CCBr)CCBr)cc(OC)c1 1713598 KOMUJOBRKBENBI-UHFFFAOYSA-N 381.108 3.296 50 40 GGGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1OCC 59334683 PPJXZPMDFACZNN-JYRVWZFOSA-N 379.254 3.408 50 40 GGGB CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccc(O)c(OC)c1 1428053 MDFYDZBMLWFIGP-OAHLLOKOSA-N 386.429 3.166 50 40 GGGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)N1CCOCC1 59247935 DDUKGHBKASWQNJ-OWBHPGMISA-N 386.249 3.006 50 40 GGGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccco3)c2C)c1 58912157 KFFFQLFAMKHRMT-WYMPLXKRSA-N 392.459 3.070 50 40 GGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 9028460 SDAHYTKYEVHQJE-CIAFOILYSA-N 393.355 3.246 50 40 GGGB Cc1cccc(OCC(=O)N/N=C\c2cc(Cl)cc([N+](=O)[O-])c2O)c1C 13945582 STVYSASFPHPYQK-UWVJOHFNSA-N 377.784 3.100 50 40 GGGB CCCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)N(CCCCl)C1=O 4472639 XXUFZRWHWWCLST-SAPNQHFASA-N 391.899 3.356 50 40 GGGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1O 409317456 QEWXMDWYGWKUCC-JMIUGGIZSA-N 378.812 3.225 50 40 GGGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409159367 ZTBMHKYNNFXIQU-WSDLNYQXSA-N 378.384 3.482 50 40 GGGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 409004209 BEEILYZCAJBECU-OEAKJJBVSA-N 399.878 3.351 50 40 GGGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 72228540 MHNQEYFEVPZECS-GOSISDBHSA-N 397.906 3.127 50 40 GGGB Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(N)=O)cc1 934847 FTUUMDBFQMXJGM-HGBKYHTQSA-N 377.469 3.215 50 40 GGGB Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1 13124335 QVHPNNKEAQLJHC-QWHCGFSZSA-N 398.260 3.334 50 40 GGGB CN1/C(=C(\C#N)C2=C(Cl)C(=O)N(c3ccccc3)C2=O)Nc2ccccc21 100265773 CAWXBJIJHUHTBI-QGOAFFKASA-N 376.803 3.350 50 40 GGGB CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O1 4476293 YFKKSSDKZJNGPK-IBGZPJMESA-N 398.459 3.388 50 40 GGGB Cn1c(SCC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)nnc1-c1ccco1 104454646 MPKUQJDRAVBUOV-VGHPPBCSSA-N 387.509 3.486 50 40 GGGB C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 2502518 CQUKIJZKWXUBRV-HXUWFJFHSA-N 378.384 3.207 50 40 GGGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3O)c2C)c1 408586393 BPVRRTNOBXASIP-YDZHTSKRSA-N 391.427 3.350 50 40 GGGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccnn2C[C@@H]2CCOC2)c1C 96298116 ZAWMPWUCFFUHOI-WAKXPGHKSA-N 381.480 3.294 50 40 GGGB Cc1cc2ccccc2nc1NNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 1546317674 YBUUBQMXSGYLJN-GOSISDBHSA-N 382.370 3.458 50 40 GGGB Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(N)=O)N(c2ccc(F)cc2)C1=O 1888484 VXXYYBXIEYQGJD-XUMLYMLNSA-N 381.432 3.046 50 40 GGGB C[C@H]1Oc2ccccc2C=C1/C=N/NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 5070248 IHYILPHHAORYDJ-OVDAPGFZSA-N 385.464 3.352 50 40 GGGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc2c(cc1Br)OCO2 4578174 QOGSGSHRKRPWFB-KFYCXTJESA-N 379.254 3.454 50 40 GGGB CCOc1cc(/C=N/NC(N)=O)ccc1OCCCOc1ccc(CC)cc1 4589880 GPEUJJNYVZWOIN-HZHRSRAPSA-N 385.464 3.498 50 40 GGGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)o1 408735600 UWICYTSDSVPZNC-SHRNQRGKSA-N 381.388 3.365 50 40 GGGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccn(CC(F)(F)F)n2)cc1 252494283 NQVQCOWVDMRSNP-LSHDLFTRSA-N 382.386 3.272 50 40 GGGB CC(=O)N(NC(=O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1 1437060 CXKOCWNFKUDYGA-UHFFFAOYSA-N 396.393 3.285 50 40 GGGB C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)[C@@H]1c1ccccc1 20347855 ZQXKUKNKSYZWDH-IBGZPJMESA-N 398.484 3.408 50 40 GGGB CCN(CC)Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC 2789393 AQFMRFZHPUUEOG-WSDLNYQXSA-N 383.448 3.030 50 40 GGGB C/C(CC(=O)NCc1ccccc1)=N\NC(=O)c1cccc(Br)c1 100946955 FAYYBDYSEYEJQK-FYJGNVAPSA-N 388.265 3.261 50 40 GGGB COc1ccc(-n2nc(C(=O)NN)cc2-c2ccc3cc(OC)ccc3c2)cc1 59472512 OHTVLRUYWQKEAA-UHFFFAOYSA-N 388.427 3.313 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 408856383 HYSRJIJQBQFZPI-YBFXNURJSA-N 392.253 3.415 50 40 GGGB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccnc2)N2NC=C(C#N)C2=N1 13570551 CAQZRJTXVPNPCZ-HXUWFJFHSA-N 384.443 3.292 50 40 GGGB O=C(Cc1ccc(F)cc1)NNC(=O)c1cccc(NC(=O)c2cccs2)c1 7312820 ORYHYGSZKAUFJI-UHFFFAOYSA-N 397.431 3.143 50 40 GGGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccccc2C#N)o1 409173922 PKYIZZVHFYIJMF-WSDLNYQXSA-N 390.355 3.499 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(OC)c1OC 16739209 GMVJKEVGJAIOHE-ZSOIEALJSA-N 397.387 3.475 50 40 GGGB CCN1c2ccccc2C2=C([C@@H](c3ccccc3C)C(C#N)=C(N)O2)S1(=O)=O 20558413 MQGQLPVFDXQXQP-SFHVURJKSA-N 393.468 3.341 50 40 GGGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1COc2ccccc2O1 4936281 UEEKFOQRCWCHOR-POJBONIESA-N 393.355 3.145 50 40 GGGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)CCc2ccccc2)c(OC)c1 100522958 DEPCADUOOVPKME-HZHRSRAPSA-N 383.448 3.157 50 40 GGGB CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 59515255 HYRSUCCENMTKET-LPYMAVHISA-N 380.448 3.394 50 40 GGGB COCCN1C(N)=C(C#N)[C@@H](c2ccccc2OC)C2=C1CC(C)(C)CC2=O 409148552 ZGZSPJWQJPLOFF-LJQANCHMSA-N 381.476 3.078 50 40 GGGB O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\c1ccccc1F 17041465 LAZNLGDQUNSWDZ-WNFQYIGGSA-N 383.210 3.404 50 40 GGGB O=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1cccnc1 27634376 QJACYILOERCWBV-UHFFFAOYSA-N 381.819 3.389 50 40 GGGB Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 40115917 JHMIPTQWNBUXEL-OAHLLOKOSA-N 394.500 3.282 50 40 GGGB Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)[C@@H]3c1ccc2c(c1)OCO2 5561071 VRKPQMLVOCGJRP-HXUWFJFHSA-N 388.379 3.357 50 40 GGGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)C(C)(C)C 408779942 OEHYIJKROWOMQQ-VCHYOVAHSA-N 394.324 3.298 50 40 GGGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(OCC)c2)cc1OC 409316061 KVRUGRIPTPXDEP-HMAPJEAMSA-N 384.432 3.431 50 40 GGGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C\c1ccccc1Cl 33336420 VZHQMHIXZYLWQW-JAIQZWGSSA-N 399.863 3.137 50 40 GGGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 956515 QPQTXDGZYGOTAC-OQLLNIDSSA-N 396.355 3.211 50 40 GGGB Cc1ccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 5170865 NKTQBCOFDZWERH-CAOOACKPSA-N 378.182 3.135 50 40 GGGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)CCC1CCCCC1)[C@@H]2C(=O)O 17077035 LHKHEXGCGNWVRO-OSGQAZFXSA-N 376.497 3.188 50 40 GGGB O=C(N/N=C/c1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccccc2)C1 9232962 ZTXUFSVFCQCQTC-IMRMQAIZSA-N 376.243 3.497 50 40 GGGB C/C(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)=N\NC(=O)c1cccc(O)c1 100089997 WBRSBVCCWKRJET-KEBDBYFISA-N 390.783 3.088 50 40 GGGB CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c2ccccc21 2332612 URXSNVOBLAJXOA-MYYSRTQBSA-N 397.434 3.026 50 40 GGGB CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)c1ccccc1 408720161 VBHOTMMWFZXQJK-BTVXTAIASA-N 398.459 3.245 50 40 GGGB Cc1ccccc1NC(=O)N/N=C\c1ccc(O)c(I)c1 110089196 KGVQWWHAHOHWCR-MFOYZWKCSA-N 395.200 3.461 50 40 GGGB Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\NC(=O)c1ccc(Cl)cc1Cl 6796649 LIMFNUKUOBUMGP-UHFFFAOYSA-N 393.186 3.296 50 40 GGGB Cc1sc2nc(CC(=O)N/N=C/c3ccc([C@H]4C[C@@H]4C)o3)[nH]c(=O)c2c1C 7119172 AQKFVFRBNBIFJQ-OTDOQZMCSA-N 384.461 3.011 50 40 GGGB COc1ccccc1C(=O)N/N=C/c1cc(Br)c(OC)c(OC)c1 5880555 JCSRKEYFLANUAZ-VXLYETTFSA-N 393.237 3.239 50 40 GGGB CCc1ccc(OCC(=O)NNC(=O)COc2cc(C(C)C)ccc2C)cc1 13987713 PESMCLXNYDXFGL-UHFFFAOYSA-N 384.476 3.286 50 40 GGGB CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 6955008 INIFDJVSLJTPDZ-BUVRLJJBSA-N 390.439 3.475 50 40 GGGB C[N+](C)(C)CC(=O)N/N=C(\C=C/c1ccccc1)C[C@H]1OC(=O)c2ccccc21 104293685 UOZWALISYBCCPJ-PCMDMSNQSA-O 392.479 3.180 50 40 GGGB COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCO3)cc1 100751879 WAPAQNSHBNFZSU-LPYMAVHISA-N 399.403 3.055 50 40 GGGB COc1cc(/C=N/NC(=O)c2cc(C)oc2C)ccc1OC(=O)c1cccnc1 3527253 ATTQJSIMDMCEQE-FOKLQQMPSA-N 393.399 3.283 50 40 GGGB Cc1ccc(C)c(OCC(=O)N/N=C\c2cc(Cl)cc([N+](=O)[O-])c2O)c1 4575400 JTPZNHSCNMJRJW-UWVJOHFNSA-N 377.784 3.100 50 40 GGGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32 408673644 XIKMFHKYEIWZKQ-PVSUWSIZSA-N 397.254 3.261 50 40 GGGB CCCN1C(=O)[C@]2(c3ccccc31)[C@H]1C[C@@H](C)CC=C1C(C#N)=C(N)C2(C#N)C#N 19853520 JWLAABFKBCATAV-KFSOKAEPSA-N 397.482 3.437 50 40 GGGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 408908818 SFAKWMOXTHTHDM-FYJGNVAPSA-N 385.420 3.393 50 40 GGGB COc1ccc(C(=O)N/N=C\c2ccccc2I)cc1 35123519 CUEJJJJCKVPXKY-YVLHZVERSA-N 380.185 3.064 50 40 GGGB O=C1CC[C@@H]2[C@@H]3C[C@H]4N(CC[C@]45c4ccccc4N1[C@@H]25)C/C3=C/CBr 6583415 NHUQKLCOSVGDHY-OBYOMVCZSA-N 399.332 3.479 50 40 GGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OC)cc1 2805890 NHMDFSSUFCMIMO-FOWTUZBSSA-N 380.400 3.426 50 40 GGGB N#CC1=C(N)Oc2ccc(N)cc2[C@H]1c1cccc(I)c1 995036 CQDIOWLLFPKKRX-OAHLLOKOSA-N 389.196 3.092 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1COc1ccccn1 37866357 NRKSMPISHVKMEO-YDZHTSKRSA-N 377.400 3.139 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2ccccn2c1=O 2428093 KCHCJFJEQLDPFT-DTQAZKPQSA-N 386.411 3.004 50 40 GGGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 408741458 JBIVYCDTLINHSU-WJDWOHSUSA-N 380.400 3.183 50 40 GGGB COc1ccc(/C=N/NC(=O)CNc2ccccc2C)cc1Br 1216064 KPSXXMDSNLZZAS-KEBDBYFISA-N 376.254 3.328 50 40 GGGB CCCN1C(=O)[C@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C)C[C@H]32)c2ccccc21 4103627 TVMAWGLOBOWAHG-HGDBAGAISA-N 397.482 3.437 50 40 GGGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 59225090 ZPXYYGITQNAYBP-MDWZMJQESA-N 389.333 3.115 50 40 GGGB C[C@@H]1CCCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 58428515 ZEOZNLXOKCGHDQ-MRXNPFEDSA-N 380.492 3.306 50 40 GGGB COc1ccc(C(O)(C(=O)NNc2ccccc2C)c2ccc(OC)cc2)cc1 2270753 NRYWVGIGCNGQJZ-UHFFFAOYSA-N 392.455 3.391 50 40 GGGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccccc2OC)c(OC)c1 941531 OGXKYPWUABBCAI-KAZNXQFFSA-N 393.395 3.403 50 40 GGGB COc1cccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 2708565 WUXLSWPMMDLVHI-UKTHLTGXSA-N 381.457 3.280 50 40 GGGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 4838987 HXRWKAXJROIBSV-LSFURLLWSA-N 399.756 3.456 50 40 GGGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1 8812658 VUQGIIYBAMRYEH-GIJQJNRQSA-N 392.209 3.438 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(O)c1 409390510 DOLBQFNRASGTEY-RGVLZGJSSA-N 381.344 3.333 50 40 GGGB C[C@@H]1CCc2sc(C(=O)NNC(=O)c3c[nH]nc3-c3ccccc3)cc2C1 8709818 REDAGKGITIMJDP-GFCCVEGCSA-N 380.473 3.338 50 40 GGGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)cc1 408763130 RIKCHSYJTSFFID-RGVLZGJSSA-N 379.328 3.317 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2C)C(=O)N1c1ccccc1 16666398 FPTLHLFNPXMMIG-QUWSGOTNSA-N 377.469 3.167 50 40 GGGB CCc1cc(C(=O)N/N=C(\C)c2cccc(NC(=O)/C=C/C(=O)O)c2)cs1 17078686 JINDXTXISMWPKZ-LRWKZWCDSA-N 385.445 3.044 50 40 GGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1OC 8567867 VWBZYFHWQPSPKF-OAHLLOKOSA-N 380.429 3.374 50 40 GGGB C#CCn1c(C)c(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc21 409365621 RBDPULFCIBVTAA-BUVRLJJBSA-N 389.455 3.293 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c(O)c1 409391602 KASMZBOSQQKRRB-SRZZPIQSSA-N 380.356 3.123 50 40 GGGB CN(c1ccccc1)c1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1 44956748 OEKGBYWVXQRPMI-UHFFFAOYSA-N 399.454 3.335 50 40 GGGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(CC)cc3)CC2=O)cc1 8083910 PYCRNASCNCAXOD-UEIZDATPSA-N 379.460 3.151 50 40 GGGB O=C(CCc1ccccc1)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 1437767 HTBYGOWMUGDOKX-WOJGMQOQSA-N 376.210 3.440 50 40 GGGB O=C(CC1(C(=O)O)CCCC1)NNC(=O)c1sc2ccccc2c1Cl 22226104 CFILMJRLVZFIJD-UHFFFAOYSA-N 380.853 3.351 50 40 GGGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(Cl)cc1Cl 943057 IPKJLQVVYSRBOV-QPJJXVBHSA-N 380.187 3.376 50 40 GGGB CN1C(=C(C#N)C(=O)COc2ccc(-c3nnco3)cc2)N(C)c2ccccc21 12539875 KVMXUUDEPMAZNR-UHFFFAOYSA-N 387.399 3.006 50 40 GGGB O=C(CCCCCN1C(=O)c2ccccc2C1=O)Oc1ccc([N+](=O)[O-])cc1 1782142 JERHGQQJIDDSBK-UHFFFAOYSA-N 382.372 3.357 50 40 GGGB Cc1ccc(CC(=O)N/N=C/c2ccc(I)o2)c(C)c1 20194291 XDBQZZWMLACINB-RQZCQDPDSA-N 382.201 3.194 50 40 GGGB Cc1cccc(NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)c1 18202292 WZZNQHKTZRPYGE-VYIQYICTSA-N 398.466 3.474 50 40 GGGB COc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1Br 408590310 OVIBWFMDDARBAU-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)Cn1cnc2ccccc21 408691544 DHTSWDIRXRKPOD-WJDWOHSUSA-N 389.415 3.388 50 40 GGGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)[C@@H](O)c1ccccc1 1102789 KQMCWUCLDRNTBN-NIQDBXHUSA-N 383.335 3.178 50 40 GGGB N#CC(C(=O)COC(=O)COc1ccc(Cl)cc1)=C1Nc2ccccc2N1 3243378 LBDUWJPUCWSCGT-UHFFFAOYSA-N 383.791 3.104 50 40 GGGB Cc1c(/C=C(/C#N)C(=O)NC(N)=O)c2ccccc2n1Cc1ccccc1F 409244935 KSJBVJNWQDLGDK-GDNBJRDFSA-N 376.391 3.239 50 40 GGGB CCCc1[nH]nc2c1[C@H](c1ccc(Br)c(F)c1)C(C#N)=C(N)O2 5130645 YXTDTZSYEUWDOU-CYBMUJFWSA-N 377.217 3.482 50 40 GGGB Cc1cc(C)c2c(-n3cccc3)c(C(=O)NNC(=O)c3cccnc3)sc2n1 39976087 JYTYPPXZLAQJFZ-UHFFFAOYSA-N 391.456 3.174 50 40 GGGB Cc1cc(C(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)c(C)o1 5859906 DCUTXSPEJHJWFQ-UHFFFAOYSA-N 390.490 3.071 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCC#N 408772139 BMDUPBWUTOGGBK-QPEQYQDCSA-N 392.253 3.182 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)cc1OCC 409006629 QHLCMMQXLLNRNC-PXLXIMEGSA-N 389.496 3.163 50 40 GGGB N#C/C(=C/c1ccc(N2CCCCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408858596 QNPCVJANAKOXMJ-ZSVCJTTISA-N 386.459 3.478 50 40 GGGB COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)CCl)cc3)o2)cc1 39747467 PFZBVYJJWCUFFP-UHFFFAOYSA-N 386.795 3.175 50 40 GGGB O=C(N/N=C/c1ccccc1)c1ccn(Cc2ccc(Br)cc2)n1 1092002 JEUSJXRBSPOEER-UDWIEESQSA-N 383.249 3.458 50 40 GGGB COc1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)c(OC)c1 13595636 UELKMVSVYHVQSH-ODLFYWEKSA-N 377.238 3.159 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)cc1C 1445330 JZLQFOSZBKTKGU-DJKKODMXSA-N 377.238 3.301 50 40 GGGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCCCC3)=C2C#N)cc1 6477671 NNFMJCNIJSGYTC-QGZVFWFLSA-N 383.517 3.470 50 40 GGGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Br)s1 13142394 VAKFNEACBNPBRL-UWONZBIMSA-N 381.251 3.191 50 40 GGGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C(C#N)=C\c2ccccc2)cc1 6459312 DXJLZJZLPXMAKN-LGMDPLHJSA-N 377.444 3.117 50 40 GGGB N#CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 8078567 RHWWSFBAFVZHED-UFFVCSGVSA-N 378.215 3.425 50 40 GGGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1 668654 RPFAJQSJNWKNPA-HBBMIWKISA-N 384.436 3.359 50 40 GGGB C#CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1 8812855 YAFPPGJGGXLJMX-UDWIEESQSA-N 387.233 3.234 50 40 GGGB N#C/C(=C\c1cccc(OCc2ccc(C#N)cc2)c1)C(=O)NC[C@@H]1CCCO1 409192755 ALTPVWLOSSHDBK-WYWXSHKMSA-N 387.439 3.339 50 40 GGGB COc1ccc(-n2cccc2/C=N\NC(=O)COc2ccccc2OC)cc1 408954700 UPICUROGCCUBNL-HMAPJEAMSA-N 379.416 3.024 50 40 GGGB COc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 409006319 NBEGBOYHHQJTDV-OEAKJJBVSA-N 399.878 3.351 50 40 GGGB O=C(OC(CCl)CCl)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 102145579 DBLKCCYWADWLPI-APYUEPQZSA-N 396.270 3.225 50 40 GGGB COc1ccc(C(=O)NNC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1OC 32795435 KAWIRZVZNXQHIT-GFCCVEGCSA-N 391.855 3.405 50 40 GGGB N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@H]1c1ccccc1 6495909 NAWJTUWRNPYLAE-KRWDZBQOSA-N 377.469 3.075 50 40 GGGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)C(=O)Nc1ccccc1Cl 6616429 YRIPJTXUIFXNAE-LCYFTJDESA-N 378.819 3.326 50 40 GGGB O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccc(Cl)cc1Cl 3186630 PTPPWPOPYXERIK-AERZKKPOSA-N 392.164 3.324 50 40 GGGB CCc1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 1795165 GEIJTQCMJITJCR-UHFFFAOYSA-N 378.428 3.007 50 40 GGGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cc4c(s3)CCCC4)ccc21 3362662 JLDKTXYWLJFIHR-UHFFFAOYSA-N 382.489 3.380 50 40 GGGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)N1CCOCC1 26966361 GXOZXGBKNUJXDC-DTQAZKPQSA-N 390.468 3.367 50 40 GGGB CC(=O)Nc1cccc(CNC(=O)NNc2ccc(OC(F)(F)F)cc2)c1 45615792 YLGQTBOPGTZGAK-UHFFFAOYSA-N 382.342 3.370 50 40 GGGB N#C/C(=C\c1cccnc1)C(=O)Nc1ccc(I)cc1 408881107 JHXWXPGVDJLAJG-XYOKQWHBSA-N 375.169 3.232 50 40 GGGB N#Cc1ccc(-c2ccc(OCC(=O)N/N=C/c3ccc(O)c(O)c3)cc2)cc1 12995526 DIHJJVYGYRITLJ-ZMOGYAJESA-N 387.395 3.166 50 40 GGGB O=C(O)CC/C(=N\NC(=O)c1cccc(Br)c1)c1ccccc1 17076741 JNHSRSSXKKFDMA-XDJHFCHBSA-N 375.222 3.448 50 40 GGGB C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1cc([N+](=O)[O-])cs1 3079799 FBOQETSQYLIIFG-UVSFYCKTSA-N 398.238 3.336 50 40 GGGB C/C(=N/NC(=O)[C@H]1COc2ccccc2O1)c1ccc(Br)s1 4951943 VAKFNEACBNPBRL-AXIYWZQUSA-N 381.251 3.191 50 40 GGGB COc1ccc(Br)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1 704656 AFYAQIZCVCFZDN-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB COc1ccccc1/C=C(\C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1462121 OPHZKQVBWKNYQD-GHRIWEEISA-N 388.427 3.039 50 40 GGGB COc1cc(OC)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 27225183 DRQUBIINDDFDTK-XOBRGWDASA-N 390.443 3.306 50 40 GGGB CCCC[C@H](C[C@H](O)COCC(C)C)C(=O)NNC(=S)Nc1ccccc1 8691026 CJRFZUOUSOMGQN-AEFFLSMTSA-N 395.569 3.234 50 40 GGGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] 20238168 XTWJAYUAOOAHJK-OAHLLOKOSA-N 396.428 3.403 50 40 GGGB N#CC1=C(N)Nc2nc(N3CCCCC3)nc(O)c2[C@H]1c1ccc(Cl)cc1 30874443 DAOAPJMELMSITF-AWEZNQCLSA-N 382.855 3.077 50 40 GGGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 15223357 BJILFDKCGAWSLQ-JYRVWZFOSA-N 383.360 3.253 50 40 GGGB CSc1ccc(/C=C/C(=O)NNC(=O)CN2CCCc3ccccc32)cc1 3431917 KPUVCTUVUATQID-JLHYYAGUSA-N 381.501 3.022 50 40 GGGB CCN(CC)c1ccc(C(=O)N/N=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)cc1 6391887 RXGYJMONSJPWSG-UHFFFAOYSA-N 381.392 3.177 50 40 GGGB CN(Cc1ccccc1NCC(=O)NNC(=O)c1ccccc1)C1CCCCC1 6510204 LGVRYRMHGONCJS-UHFFFAOYSA-N 394.519 3.324 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Br)s2)n1 8336698 RRBJNWHIUBBGRB-GIDUJCDVSA-N 385.312 3.160 50 40 GGGB CCc1cc2c(=O)n(CC(=O)N/N=C\c3ccc(C(C)C)cc3)cnc2s1 31783523 CQZFNJNOKYNIPC-YVNNLAQVSA-N 382.489 3.294 50 40 GGGB BrC[C@H](Br)O[C@@H](Br)CBr 1675728 WKRKFUPTDMDLIR-QWWZWVQMSA-N 389.707 3.235 50 40 GGGB O=C(COc1ccc(Cl)cc1)NNC(=O)COc1ccc2ccccc2c1 4833064 GDFWKQZHOVJTMV-UHFFFAOYSA-N 384.819 3.098 50 40 GGGB O=C(COc1ccccc1F)NNC(=O)COc1ccccc1-c1ccccc1 6448634 HZGHMJCDMWBXJS-UHFFFAOYSA-N 394.402 3.098 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2ccccc2F)n1 6964287 SQCGBXSBXQHWBA-SRZZPIQSSA-N 383.452 3.266 50 40 GGGB CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)COc1ccc(Cl)cc1Cl 100207237 JBVMVAQARWHPSD-FGHSJCFPSA-N 375.252 3.454 50 40 GGGB COc1ccc2cc([C@H](C)C(=O)NNC(=O)CNc3ccccc3)ccc2c1 58198331 FVAPMEUANCRFEJ-HNNXBMFYSA-N 377.444 3.211 50 40 GGGB N#C/C(=C/c1ccco1)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 3305067 ZSJPBEILUBEXNZ-FLIBITNWSA-N 380.278 3.267 50 40 GGGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(N2CCOCC2)o1 408999603 RKPGXSSMWWZMIT-RGVLZGJSSA-N 393.896 3.153 50 40 GGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OC2CSC2)c1 408833877 ZTFQJBNPOXBPTQ-AWQFTUOYSA-N 376.865 3.363 50 40 GGGB COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1O 408786175 GEYATYVABYLLEW-ZBKNUEDVSA-N 383.282 3.092 50 40 GGGB Cc1cc(O)nc(N2CCC(NC(=O)CCCC[C@@H]3CCSS3)CC2)n1 238821321 CSDFVPVXWGVCLT-OAHLLOKOSA-N 396.582 3.290 50 40 GGGB CCCCCCCCC(=O)NNC(=O)c1c(O)n(CC)c2ccccc2c1=O 2059120 ORGOJKWNMFTMHV-UHFFFAOYSA-N 387.480 3.239 50 40 GGGB CCOC(=O)[C@@H](Br)[C@@H](Br)c1cccc([N+](=O)[O-])c1 1602082 DPSIHSJLCLCPHI-UWVGGRQHSA-N 381.020 3.357 50 40 GGGB COc1ccc([C@@H](CC(=O)O)CC(=O)N(CCCl)CCCl)cc1C 2041422 DPZQQDQHMXJEGX-CQSZACIVSA-N 376.280 3.258 50 40 GGGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccccc2)cc1 653464 QTINZSOWLVPHIP-YDZHTSKRSA-N 387.395 3.432 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(OC)c(OC)cc2Cl)c1 8811052 GQEZTTDVCGWEMW-KEBDBYFISA-N 378.812 3.138 50 40 GGGB N#Cc1ccc(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c(F)c1 1101280 MLDKMBXNRSNGNQ-WSDLNYQXSA-N 377.335 3.160 50 40 GGGB CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OCC 59297527 FRWYJRTVVCRKHC-RQZCQDPDSA-N 394.427 3.436 50 40 GGGB COc1cc(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1O 408854488 GOVJWXHIHSOCKS-WJDWOHSUSA-N 397.862 3.310 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1O 409257378 QNFRQTWRPOSTNY-UFFVCSGVSA-N 389.839 3.150 50 40 GGGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)cc3)CC2)c1 409005392 IHPIBTIMJSNTAO-OEAKJJBVSA-N 399.878 3.351 50 40 GGGB O=C(NNC(=O)c1cc2c(s1)CCCC2)c1cccc(Nc2ncccn2)c1 30578147 JHVFWEWMXYHHSF-UHFFFAOYSA-N 393.472 3.235 50 40 GGGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)o2)cc1 867643 XWRDDAQTTPSIMU-XYSGSMRZSA-N 394.427 3.325 50 40 GGGB COc1ccc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1OC 6189255 VIZBJUMTUGKQMV-YDZHTSKRSA-N 392.459 3.329 50 40 GGGB Cc1occc1C(=O)N/N=C1/C(=O)N(Cc2ccccc2F)c2ccccc21 102455825 FMLUMJRXEWZUHW-FCDQGJHFSA-N 377.375 3.408 50 40 GGGB CCn1c(SCC(=O)N/N=C/c2ccc(C)o2)nnc1-c1ccc(C)cc1 1474361 WYRSQQRHUBAZSG-RGVLZGJSSA-N 383.477 3.417 50 40 GGGB N#C/C(=C/c1cc2c(cc1Cl)OCO2)C(=O)N1CCN(c2ccccc2)CC1 59333421 VSSFXNUMUZYJIY-YBEGLDIGSA-N 395.846 3.324 50 40 GGGB Cc1cccc(OCC(=O)N/N=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)c1 6055616 DNMQTHBLSBAORB-UHFFFAOYSA-N 378.215 3.153 50 40 GGGB COCCn1c(C)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 4723183 MCKSWPQAAVCNLO-DEDYPNTBSA-N 390.487 3.499 50 40 GGGB C=CCc1cc(/C=N\NC(=O)Nc2cccc(C)c2)cc(OC)c1OCC(=O)O 408816533 JTFJTMGQBOBDND-UUYOSTAYSA-N 397.431 3.351 50 40 GGGB N#C/C(=C\c1ccc(OCC(N)=O)c(Cl)c1)C(=O)Nc1ccccc1Cl 409218966 LXMWUPTUHJHTDK-KPKJPENVSA-N 390.226 3.403 50 40 GGGB O=S(=O)(OCCCCl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083812469 FUWZGWMJJHKCNN-UHFFFAOYSA-N 376.624 3.387 50 40 GGGB C=CCc1cccc(/C=N/NC(=O)CNc2ccc(Br)cc2)c1O 1501003 VVPMZGPOMIXCBD-SRZZPIQSSA-N 388.265 3.445 50 40 GGGB O=C(N/N=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1 30753631 XUSCFFGBJGWCDE-MTJSOVHGSA-N 379.401 3.300 50 40 GGGB Cc1cc(OCC(=O)NNC(=O)c2ccccc2Br)ccc1Cl 3424850 MXWBDNKWTRLBIX-UHFFFAOYSA-N 397.656 3.251 50 40 GGGB C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 100487712 FEBJJTNJFPRXSW-GZTJUZNOSA-N 388.379 3.423 50 40 GGGB COC(=O)c1sccc1NC(=O)/C(C#N)=C1\C(=O)N(C(C)C)c2ccccc21 61720529 OWHAYWWZCIBRMV-SSZFMOIBSA-N 395.440 3.206 50 40 GGGB C/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc([N+](=O)[O-])cc1 106824793 NYSJCBIGDAUWQO-LPYMAVHISA-N 388.383 3.249 50 40 GGGB Cc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1Cl 102622774 NXCCJOCNSXHYLU-VPYRXTAPSA-N 384.657 3.158 50 40 GGGB CSc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1 59444384 GKHAOAJFXZMPMM-VCHYOVAHSA-N 392.278 3.260 50 40 GGGB O=C(CNNC(=O)c1ccc(COc2ccccc2)cc1)Nc1ccc(F)cc1 6551105 YETRBTYUGGEQRH-UHFFFAOYSA-N 393.418 3.278 50 40 GGGB C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(N2CCOCC2)cc1 5516981 XHDGPNOIEOWLGU-XDHOZWIPSA-N 392.253 3.033 50 40 GGGB Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccco2)c1 409222120 BJQXNAZCLGNRPP-MTJSOVHGSA-N 393.355 3.479 50 40 GGGB CN1C(=C(C#N)C(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)N(C)c2ccccc21 12562827 FXAAUOCDUQCEAF-QGZVFWFLSA-N 382.464 3.276 50 40 GGGB O=C(N/N=C/c1ccco1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 57294229 VNPMENWDBHZRJD-JJIBRWJFSA-N 388.471 3.366 50 40 GGGB N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NCCN1CCCCC1 2274168 MJWGNKJWLKCJFE-PEZBUJJGSA-N 394.431 3.364 50 40 GGGB CCOc1ccccc1OCC(=O)NNC(=O)c1cccc(Cl)c1Cl 12792915 HWZDNVJZEKKDPW-UHFFFAOYSA-N 383.231 3.232 50 40 GGGB Cc1ccc(OCc2nc(C)c(C(=O)NNC(=O)c3ccoc3C)s2)cc1 14246007 YTYAMYFUGALMGK-UHFFFAOYSA-N 385.445 3.315 50 40 GGGB O=C(N/N=C\c1c(F)cccc1Cl)C(=O)Nc1ccc(Br)cc1 4699494 WZRJAPGIWOCLTQ-UWVJOHFNSA-N 398.619 3.330 50 40 GGGB CC(C)(C)OC(=O)N1CC(C#N)=C(N2CCN(c3ccc(Cl)cc3)CC2)C1 95944384 YMGHAKUHDQTXSE-UHFFFAOYSA-N 388.899 3.490 50 40 GGGB CCCCCOc1ccc(C(=O)CCC(=O)NNC(=O)c2ccncc2)cc1 32975381 PZVWZUQONMKRPZ-UHFFFAOYSA-N 383.448 3.075 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)cc1 408905471 ANSLSAZPZIFMNC-NGIIGVMLSA-N 395.459 3.059 50 40 GGGB COc1cc2c(cc1/C=C(/C#N)C(=O)NCCc1c[nH]c3ccccc13)OCO2 408954598 RWRJQLAZUQUTRV-PXNMLYILSA-N 389.411 3.171 50 40 GGGB Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1 1055320 YFSMMMBCBWUVCC-YDZHTSKRSA-N 389.411 3.422 50 40 GGGB O=c1[nH]c2c(cc1Br)[C@H](Br)[C@H](Br)C=C2 1700639 SHJRWGOFVFLJLT-XRGYYRRGSA-N 383.865 3.364 50 40 GGGB N#C/C(=C\c1cn(CC(=O)N2CCCCCC2)c2ccccc12)C(=O)NC1CC1 6644391 VZXVETMGLSZRCP-GHRIWEEISA-N 390.487 3.229 50 40 GGGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21 8812205 RZORAFFDBYASAO-FSJBWODESA-N 381.407 3.416 50 40 GGGB C/C(=C\C(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(O)cc1 4588035 JZYMMPDVTZOLCE-ZHACJKMWSA-N 375.222 3.176 50 40 GGGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 408756659 RWNVHCPRQFDQQY-QCBCRBAMSA-N 392.415 3.349 50 40 GGGB COc1cc(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1O 408904987 RNZSOFVPDMQLTA-UWVJOHFNSA-N 389.751 3.473 50 40 GGGB CN1C(=C(C#N)C(=O)CSc2nc(C3CCCC3)n[nH]2)N(C)c2ccccc21 31796758 DZBUURZSKSRGRP-UHFFFAOYSA-N 394.504 3.445 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(O)c(Cl)c2)n1 8336643 XKYLXGFEFDTXIT-NGYBGAFCSA-N 385.276 3.348 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 1202970 JEEWRQCKDOXCOC-DNTJNYDQSA-N 390.237 3.048 50 40 GGGB Cc1ccc(OCCNC(=O)NNC(=O)c2oc3ccccc3c2C)c(C)c1 32779710 XOEFPZOHTFLCRH-UHFFFAOYSA-N 381.432 3.381 50 40 GGGB Cc1cc(/C=N/NC(=O)CC2(C)OCCO2)c(C)n1-c1cccc(Cl)c1 58917415 YTSORMQBKCPEET-CIAFOILYSA-N 375.856 3.351 50 40 GGGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1452693 QYUWWPJDABDXEM-SFQUDFHCSA-N 388.427 3.039 50 40 GGGB COc1ccc(/C=C/C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 5988132 PEVSIYVGICSRIN-DHZHZOJOSA-N 375.384 3.093 50 40 GGGB O=C(NNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1cccs1 71802077 ADWXUINVKDCFLK-UHFFFAOYSA-N 380.473 3.413 50 40 GGGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(N2CCOCC2)o1 408992731 BIMLMZJPZZOSLJ-RGVLZGJSSA-N 393.896 3.153 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1)c1ccn(Cc2cccc(Br)c2)n1 1081854 YASISVHSWPXTJS-RGVLZGJSSA-N 399.248 3.163 50 40 GGGB COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1 919191 ZAUNJNBJUOORJC-LICLKQGHSA-N 380.185 3.064 50 40 GGGB Cc1cc(-n2c(C)cc(/C=N/NC(N)=O)c2C)ccc1I 5739875 OVBNVKKRFDMUCH-QGMBQPNBSA-N 396.232 3.009 50 40 GGGB CCCCN1C(=O)C(C#N)=C(C)/C(=N/Nc2ccc(N(CC)CC)cc2)C1=O 16638803 MPZXONWWIIYUGW-CLCOLTQESA-N 381.480 3.310 50 40 GGGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc(O)cc1O 5289223 RSJZFBWQBLXEGE-AUEPDCJTSA-N 395.337 3.251 50 40 GGGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cccc(Br)c1 5357021 HEUSQYKECZFKIY-VXLYETTFSA-N 393.237 3.239 50 40 GGGB Cn1cc(Br)c(C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)n1 2748394 CUGFKBIMATTWID-AWQFTUOYSA-N 383.249 3.198 50 40 GGGB Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 40139712 NRDQWGZCOHQWFM-NTEUORMPSA-N 385.855 3.062 50 40 GGGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc(Br)cc1 829233 HSDMXIQYURKDSQ-UHFFFAOYSA-N 399.244 3.442 50 40 GGGB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 2100816 PSRRYODZTSVIIV-SVXRXWARSA-N 392.755 3.074 50 40 GGGB CC(=O)Nc1cccc(CNC(=O)NNc2ccc(F)cc2Br)c1 45615920 RZOBOFVNJOJQJN-UHFFFAOYSA-N 395.232 3.373 50 40 GGGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(Cl)c3)CC2)c1 409006395 NPBUIIKYJGVKQA-OEAKJJBVSA-N 399.878 3.351 50 40 GGGB COc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)ccc1O[C@H](C)C(=O)O 409015805 BLRBAPIAMFYOGJ-BPXUPMHTSA-N 391.811 3.356 50 40 GGGB CCCCCCC(=O)NN/C=C1/C(=O)N(C2CCCCCC2)C(=O)N=C1O 38168248 FSEIHSPPFHBCKL-FYWRMAATSA-N 378.473 3.103 50 40 GGGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1csc([N+](=O)[O-])c1 40143213 QSCVTGCAVSHBLZ-UHFFFAOYSA-N 397.840 3.238 50 40 GGGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1C 14822433 QURWXRHOFFDMKL-LSDHHAIUSA-N 390.867 3.339 50 40 GGGB O=C(CSc1nccn1-c1ccc(Cl)cc1)NNC(=O)c1cccs1 15279282 VDBDZGSXJYDMSD-UHFFFAOYSA-N 392.893 3.141 50 40 GGGB CCOC(=O)[C@@]1(C#N)C(C#N)=C(N)C2=CCCC[C@H]2[C@@H]1c1ccccc1OC 4786201 UCFGJXURHIVFAH-WTGRHJARSA-N 377.444 3.328 50 40 GGGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(N)=O 1196929 WHPVZIJTCQKQKA-XNTDXEJSSA-N 382.379 3.038 50 40 GGGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc2cc(F)ccc2s1 26532722 BWPGOJDGCLEGFV-SNVBAGLBSA-N 376.384 3.408 50 40 GGGB CC(=O)Nc1cccc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1 12689126 OKRUNSOFNKXPGK-UHFFFAOYSA-N 394.456 3.152 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccccc1 4815573 HLSUTOLEYLGWNN-OEAKJJBVSA-N 390.395 3.384 50 40 GGGB CCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 6323075 IMXJYHIKQQVAHR-AWEZNQCLSA-N 377.897 3.328 50 40 GGGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 4863673 PLRSQNDUTVHPQB-FOKLQQMPSA-N 379.338 3.386 50 40 GGGB COc1ccc(OCC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)cc1 408953864 QHGJGWUQKLGJCB-HAHDFKILSA-N 392.459 3.081 50 40 GGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)cc1 408796643 PKDPUPPAVKIVHR-AWNIVKPZSA-N 384.775 3.401 50 40 GGGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)[C@H](O)c3ccccc3)c2C)c(C#N)c1C 409361140 QIXMNNGMFYZBGF-BLTFUYFMSA-N 390.443 3.359 50 40 GGGB CCn1c(NNC(=O)c2cc3ccc(Cl)cc3[nH]2)nc2ccccc2c1=O 40080104 SQDHHKCUQFGXRO-UHFFFAOYSA-N 381.823 3.308 50 40 GGGB COc1ccc(-c2nnc([C@@H]3CCCN(C(=O)NCCCl)C3)s2)cc1 38900465 NHRAVFXWOHGCGM-CYBMUJFWSA-N 380.901 3.342 50 40 GGGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(SC)cc2)CC(=O)N1 6325206 NIZWXYDJCNRHEW-OAHLLOKOSA-N 389.546 3.349 50 40 GGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 6562972 GEELRVBQRAECSR-WSDLNYQXSA-N 391.383 3.367 50 40 GGGB COC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2c(C)cccn2c1=O 2449400 VBFQMIHCGDEZLH-JLHYYAGUSA-N 379.347 3.014 50 40 GGGB Cc1ccc(NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)cc1 12563446 KGEFRTUHMKKDQA-UHFFFAOYSA-N 398.488 3.233 50 40 GGGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccc(OC(F)(F)F)cc1 2543646 FLRKPTLGOOCCPF-UHFFFAOYSA-N 392.337 3.462 50 40 GGGB COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 409006947 SXBXTWCXOWSWMW-OEAKJJBVSA-N 399.878 3.351 50 40 GGGB O=C(N/N=C\c1ccc(O)c(I)c1)Nc1ccccc1 408904092 DORCKRGRARFQRA-SXGWCWSVSA-N 381.173 3.152 50 40 GGGB COc1cc(C)ccc1C(=O)N/N=C/c1cccn1-c1ccc(C(=O)O)cc1 409235424 PRXRZASYCFMZGT-LPYMAVHISA-N 377.400 3.256 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 33471349 LTDWSKJGSQKJLU-JYRVWZFOSA-N 383.360 3.166 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 5929816 UBKWJINMKKPHIR-HYARGMPZSA-N 376.416 3.362 50 40 GGGB CC(C)CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 20244082 YIOTUPDHMRMZEK-DMGPTTAYSA-N 381.476 3.439 50 40 GGGB CCCN1C(=O)/C(=N/NC(=O)c2ccc(Br)cc2)c2ccccc21 103346421 NTRCFMNUGGASDH-CAPFRKAQSA-N 386.249 3.340 50 40 GGGB CCOC(=O)COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OC 409215169 XUHBYKMXDZSUFM-WJDWOHSUSA-N 380.400 3.183 50 40 GGGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1 408793199 DJOUYWAAYJLANS-MHWRWJLKSA-N 384.819 3.115 50 40 GGGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc2c1OCO2 6170074 OELSWBWANXBDRL-UFWORHAWSA-N 399.384 3.311 50 40 GGGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccccn2)cc1 6258471 CHFLKIOWNRQSCP-YDZHTSKRSA-N 375.384 3.123 50 40 GGGB O=C(NN=Cc1ccccc1OC(=O)c1ccco1)c1ccc2c(c1)COC2 409136086 WUXARMKEUYPLKT-UHFFFAOYSA-N 376.368 3.293 50 40 GGGB COc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc(OC)c1OC 831089 GQFNZVAIACZLKB-STCDJXRXSA-N 388.489 3.484 50 40 GGGB O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc([N+](=O)[O-])cc1 826158 AHJWOSXFFMGTHX-DJKKODMXSA-N 395.202 3.381 50 40 GGGB Cc1cc(C)nc(NNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)n1 32933190 GYYMFCWDMUPXFO-CQSZACIVSA-N 382.493 3.063 50 40 GGGB O=C(CC(=O)N/N=C\c1cccc(Cl)c1Cl)NCCc1ccccc1 59444517 SJJFHPABJJQGJK-UUYOSTAYSA-N 378.259 3.193 50 40 GGGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccnc2)N2NC=C(C#N)C2=N1 8993632 ITDOHSNCASWKIH-SFHVURJKSA-N 390.834 3.329 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCC(=O)c1cc(C)sc1C 6509719 MJYKDZDUXUZBIG-UHFFFAOYSA-N 394.880 3.451 50 40 GGGB COc1ccccc1NCC(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 15145331 PVFNYLKOBCPHFG-WSDLNYQXSA-N 394.387 3.426 50 40 GGGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 408892680 BTHAJVPNXHHXEB-MDWZMJQESA-N 383.360 3.166 50 40 GGGB CC(C)(C)OC(=O)NCc1ccc(C(=O)NNc2ncnc3ccccc23)cc1 521398860 QARZNWRELJAGQU-UHFFFAOYSA-N 393.447 3.411 50 40 GGGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(OC)c2c(c1)OCO2 33667734 OYSBUPFKZAXSLG-SSDVNMTOSA-N 378.384 3.350 50 40 GGGB CC(C)(C)C(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@H]2C1 4457888 RLBHERGLZQZNOF-DLBZAZTESA-N 391.500 3.046 50 40 GGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c(OC)c1 798292 KIEYBVMCNKPSGG-FQEVSTJZSA-N 388.427 3.416 50 40 GGGB Cc1c(C(=O)NNC(=O)c2cc3c(s2)CCC3)oc2c1C(=O)CC(C)(C)C2 48261166 OYKLUUKIDKRWBP-UHFFFAOYSA-N 386.473 3.368 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2ccccn2c1=O 2406050 AVWIWVHWBBJACV-DTQAZKPQSA-N 386.411 3.004 50 40 GGGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 13021475 JBZMQFHHSCDIJM-SNVBAGLBSA-N 378.215 3.094 50 40 GGGB CCN(CC)c1ccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1 5638201 VDYXRZLJERLWKZ-UHFFFAOYSA-N 389.883 3.335 50 40 GGGB O=C(N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Br)cc1 408952019 JPFRIFOTQJLOQN-PXNMLYILSA-N 393.153 3.029 50 40 GGGB O=C(N/N=C1/C[C@H]2CC=C[C@H]12)c1ccc(NS(=O)(=O)c2cccs2)cc1 33663556 FOURUXXKOVJJRM-OTZOPFLJSA-N 387.486 3.231 50 40 GGGB CCOC(=O)c1cccc(N/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)c1 9419973 QVDXRZZSHSCRTD-CYUIRQCWSA-N 381.432 3.166 50 40 GGGB COc1cc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc(OC)c1OC 57470419 QFIWUIAIIIRVAS-UHFFFAOYSA-N 397.475 3.094 50 40 GGGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1OCC 9202123 AKYHFQSZWKJKTK-LPYMAVHISA-N 384.432 3.100 50 40 GGGB Cc1cc(C(=O)NNC(=O)COc2ccccc2Cc2ccccc2)c(C)o1 3411261 LKDCOHDHELXVAF-UHFFFAOYSA-N 378.428 3.327 50 40 GGGB C/C(=N\NC(=O)COc1cc(C)ccc1C)c1ccc(N2CCOCC2)cc1 13145425 HEYCTXMMKWDTGI-PTGBLXJZSA-N 381.476 3.059 50 40 GGGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 4695806 AYTQHJIWCKBIEF-ZDLGFXPLSA-N 376.756 3.239 50 40 GGGB N#C/C(=C\c1ccc(OCc2ccc(C#N)cc2)c(Br)c1)C(N)=O 408926394 NELZAIQKDNMSGQ-VIZOYTHASA-N 382.217 3.292 50 40 GGGB CC[C@@H]1CCc2sc(C(=O)N/N=C/c3ccc(N(C)CCO)cc3)cc2C1 4952578 KTEPXBDDPAHBKJ-QQHUYRGFSA-N 385.533 3.455 50 40 GGGB C/C(=N\NC(=O)COc1ccccc1)c1ccc(I)cc1 408773645 SMBUQHRFQBRRQA-LDADJPATSA-N 394.212 3.210 50 40 GGGB N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@@H]1c1cccs1 409126052 APPVPAXGVBJPFO-AWEZNQCLSA-N 383.498 3.136 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 408862682 IKLIAUHTHHORKX-VCHYOVAHSA-N 391.225 3.187 50 40 GGGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)o2)cc1 867645 XWRDDAQTTPSIMU-WPNIOXTASA-N 394.427 3.325 50 40 GGGB N#CC(C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)=C1Nc2ccccc2N1 2635966 ZCOTTXFRZJVOGM-UHFFFAOYSA-N 394.740 3.362 50 40 GGGB COc1cc(C=C(C#N)C#N)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1045119 ZUTPJZAAATZXCY-UHFFFAOYSA-N 394.383 3.371 50 40 GGGB CCCCCN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2ccccc21 102434414 AFQMIXAFCUAHEU-FLFQWRMESA-N 379.460 3.431 50 40 GGGB O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1ccc(-n2ccnc2)nc1 25536727 KRODJSROQIQGBP-UHFFFAOYSA-N 395.488 3.063 50 40 GGGB CC1(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)OCCO1 5415351 ZNFKGQQNKXZZFG-VXLYETTFSA-N 393.783 3.111 50 40 GGGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Br)o2)cc1 4698702 CPGXWTBDRCYDIX-UHFFFAOYSA-N 395.253 3.180 50 40 GGGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OCC 409310258 SUVWNBLLWBWIAI-HAHDFKILSA-N 396.443 3.269 50 40 GGGB COCCNC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(OC)c1 408799997 MNDFAMQGIMTXJW-LICLKQGHSA-N 384.407 3.083 50 40 GGGB CC(C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408812880 XLAPADKJNRDVID-LFIBNONCSA-N 381.407 3.275 50 40 GGGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 408607174 CFAFPOUMKFIRFC-FSJBWODESA-N 387.867 3.141 50 40 GGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC2CSC2)cc1 408855760 DEHYFEZGJAPSFL-AWQFTUOYSA-N 376.865 3.363 50 40 GGGB CCc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C)cc3)c(C)c(C#N)c2=O)cc1 409055190 KJJLNSBSNNKABA-QFEZKATASA-N 399.454 3.047 50 40 GGGB O=S(=O)(NCCCl)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 255189936 TWCRARGSVVXXSZ-UHFFFAOYSA-N 398.315 3.472 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(=O)O 5006548 VUPZEJMNQMUHQG-BCZNVCAVSA-N 386.448 3.151 50 40 GGGB C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])cs1 3089576 AGUYVVMKAGIBDP-UVSFYCKTSA-N 398.238 3.336 50 40 GGGB C/C(=N\NC(=O)c1ccccn1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370326 JJXNJZYCEOBRIC-MFKUBSTISA-N 398.422 3.245 50 40 GGGB O=C(Cn1nnc2ccccc21)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21 36239762 LLISRGSHQSTKCM-BQMBHYSLSA-N 397.438 3.476 50 40 GGGB CCOC(=O)CSC1=C(C#N)C(O)=N[C@H](c2ccc(OC)c(OC)c2)S1 2337087 WQUZEDLZKAXQDZ-INIZCTEOSA-N 394.474 3.437 50 40 GGGB Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccccc1Cl 4616550 YQYRCVDROHSHJD-UHFFFAOYSA-N 394.258 3.482 50 40 GGGB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)CCC1CCCCC1 3983261 LHKHEXGCGNWVRO-WTLGNFPFSA-N 376.497 3.188 50 40 GGGB Cc1ccnc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)c1 107604365 SPZOECAIPXHJCK-QRVIBDJDSA-N 391.431 3.399 50 40 GGGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1C 3384717 NDTYLZPBNGSLNT-LLVKDONJSA-N 378.519 3.113 50 40 GGGB Cc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)c2c(C)noc2n1 14367366 ADFJMROSPYGHPW-UHFFFAOYSA-N 379.203 3.221 50 40 GGGB COc1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3)o2)c([N+](=O)[O-])c1 408535463 YKORHPKAQZEISW-CIAFOILYSA-N 395.371 3.393 50 40 GGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCC)cc1 408608900 XKUSYHFLCUKIMP-INIZCTEOSA-N 384.461 3.033 50 40 GGGB N#C/C(=C\c1ccc(OCC(N)=O)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 409222133 BOAAVUZARUPGDT-KPKJPENVSA-N 390.226 3.403 50 40 GGGB O=C(N/N=C\c1ccccc1Br)C(=O)Nc1ccc(Cl)cc1 33747093 SJSJWNHSJHARIM-NVMNQCDNSA-N 380.629 3.191 50 40 GGGB O=C(N/N=C/c1cccc(Cl)c1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1089252 LWDWVGDETMALGO-RGVLZGJSSA-N 383.795 3.257 50 40 GGGB CO[C@@]1([C@H](Cl)c2ccccc2)C(=O)N(C)/C(=C\c2ccccc2)C(=O)N1C 104240258 GVPXBASNZUEQDE-ROKZIAECSA-N 384.863 3.281 50 40 GGGB O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1ccc(-n2cnnc2)cc1 58222858 IUQJKZRUDKWOSW-UHFFFAOYSA-N 395.488 3.063 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OCc1ccc(C(=O)O)cc1 2298272 XDCLXSUXUHMIEB-VCHYOVAHSA-N 394.427 3.404 50 40 GGGB COc1cc(/C=N/NC(N)=O)ccc1OCCCOc1ccccc1Cl 4550587 PHUCWPSSIDPXPU-CIAFOILYSA-N 377.828 3.199 50 40 GGGB COC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccc(Br)o2)c1 17077674 XFEJWNSCKNLUJM-GIJQJNRQSA-N 380.198 3.374 50 40 GGGB COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc2c(c1)OCCO2 409364706 OUULYPISNKVMMN-OEAKJJBVSA-N 376.412 3.312 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCC(C)(C)CO3)cc1OC 225371128 RLVUSXUWXOWRRQ-SSDVNMTOSA-N 384.432 3.265 50 40 GGGB Cc1ccc(OCC(=O)NNC(=O)Cc2ccc(Cl)cc2Cl)cc1C 12854425 CKBQEUMTTHZFQW-UHFFFAOYSA-N 381.259 3.379 50 40 GGGB Cc1cc(C)nc(NNC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)n1 40145260 CLHFMLQOCZUBKP-UHFFFAOYSA-N 376.464 3.305 50 40 GGGB C[C@H]1CCCCN1C(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 6455725 RLBCPZBKDXNPIU-BBRMVZONSA-N 387.480 3.299 50 40 GGGB Cc1c(/C=N\NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cnn1C 13331868 YFGMUQFVRQMIAQ-FMQZQXMHSA-N 377.813 3.269 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)O 408925866 UMEYZKWSRYJACJ-WSDLNYQXSA-N 378.384 3.076 50 40 GGGB Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 409380046 GJXCLRDKDCOHIT-WLRTZDKTSA-N 388.221 3.273 50 40 GGGB C[C@]1(C(=O)N/N=C/c2ccc(O)c(O)c2)NC2(CCCCC2)Cc2ccccc21 408734247 MEEZFFVDDDBOIX-NMWDDECMSA-N 393.487 3.312 50 40 GGGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccc(SC)cc2)CC(=O)N1 6325193 NIZWXYDJCNRHEW-HNNXBMFYSA-N 389.546 3.349 50 40 GGGB CCCCOc1ccc(/C=C/C(=O)OCC(=O)/C(C#N)=C(\C)N)cc1OCC 28930255 BKRHQJWMUZLEDI-ARBZGMGISA-N 386.448 3.146 50 40 GGGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccco2)cc1 5205715 QIWDMHBMNVBXOX-KGENOOAVSA-N 397.456 3.010 50 40 GGGB COc1ccc([C@@H]2O[C@](C)(CBr)C(=O)[C@@H]2Br)cc1 4476605 BBAHDLBBQNAVTM-NTZNESFSSA-N 378.060 3.253 50 40 GGGB COc1cc(/C=N\NC(=O)c2ccco2)ccc1OCc1ccc(C(=O)O)cc1 36092424 ZVLFNHLHOUFSBW-UUYOSTAYSA-N 394.383 3.329 50 40 GGGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)[C@@H]1COc2ccccc2O1 13140550 OQCRINMBFCDGEC-JGVLGKFESA-N 396.834 3.124 50 40 GGGB COc1cccc2cc(C(=O)N/N=C/c3cn(CC(=O)O)c4ccccc34)oc12 4688381 XPPOJVFWMXIQFW-LSHDLFTRSA-N 391.383 3.245 50 40 GGGB O=C(COc1ccc(F)cc1)NNC(=O)c1cccc(OCc2ccccc2)c1 7652929 OLWSWZLXYHQHEJ-UHFFFAOYSA-N 394.402 3.245 50 40 GGGB O=C(NNC(=O)c1cnccn1)c1ccc(CSc2ccc(Cl)cc2)cc1 11529853 MKMOMSDXHZMGDN-UHFFFAOYSA-N 398.875 3.497 50 40 GGGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccncc3)c2C)cc1 13799129 QAHUZDHOCTXRFN-OYKKKHCWSA-N 390.443 3.430 50 40 GGGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccccc3O)cc2)cc1 23416324 FELAJLNVMMHALG-UHFFFAOYSA-N 382.441 3.290 50 40 GGGB O=C(N/N=C\C(Br)=C\c1ccccc1)[C@@H]1COc2ccccc2O1 30760627 GHEFNNXELCDGNC-IOJUWFGVSA-N 387.233 3.364 50 40 GGGB CC(C)=NNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 408787233 VKZFNQXULVXPBZ-UHFFFAOYSA-N 387.505 3.319 50 40 GGGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccccn1 107794963 NCBFGPTZHZFFGF-XKZIYDEJSA-N 377.404 3.090 50 40 GGGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1ccccc1F)C(C#N)=C(N)O2 2227150 LOAUWWBFPUEIBZ-GOSISDBHSA-N 377.375 3.155 50 40 GGGB COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2F)=C(C#N)[C@H]1c1ccccc1 409129149 QYORFHZAASAVMT-MSOLQXFVSA-N 396.443 3.497 50 40 GGGB COC(=O)Oc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1OC 408829501 PKKBDJMMWQUVIP-RGVLZGJSSA-N 388.445 3.391 50 40 GGGB COc1ccc(/C=C/C(=O)NN)cc1OCc1cccc(Br)c1 216900905 PRKVSVTUXWAQJN-SOFGYWHQSA-N 377.238 3.040 50 40 GGGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])s3)c2)n1 6189267 XBQFAOZCGKVOSO-VXLYETTFSA-N 383.433 3.282 50 40 GGGB Cc1ccc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(C)cc2)cc1 5539993 MDLLAXJWWUJWKW-DFEHQXHXSA-N 378.476 3.464 50 40 GGGB COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1 673687 SKWRIWVETXRXIH-CIAFOILYSA-N 379.372 3.286 50 40 GGGB COc1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 674574 RTUGGFNGMAVTHM-UHFFFAOYSA-N 386.448 3.085 50 40 GGGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(O)cc1 1054342 ORWVBGMYFSOZKA-DJKKODMXSA-N 377.238 3.301 50 40 GGGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(Cl)cc1 3099411 FDLZCOZGPNIGHT-REZTVBANSA-N 398.600 3.480 50 40 GGGB COc1ccc(OCC(=O)NNC(=O)c2cccc(Oc3ccccc3)c2)cc1 3384866 HOIKEBMYJPDXLP-UHFFFAOYSA-N 392.411 3.328 50 40 GGGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c([N+](=O)[O-])c1OC 4199467 YZRMAMBXGOHHNC-OAHLLOKOSA-N 399.403 3.063 50 40 GGGB O=C(CCCCl)NC(=S)Nc1ccccc1I 4688094 LQCRNSUARQLEPR-UHFFFAOYSA-N 382.654 3.123 50 40 GGGB Cc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2Cl)on1 14186705 IEQFTBZSVQIWCG-UHFFFAOYSA-N 385.807 3.290 50 40 GGGB C/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccc2c(c1)OCCO2 33340006 WZMRIPIQRCFLTC-VXLYETTFSA-N 391.221 3.080 50 40 GGGB COc1cccc2cc(C(=O)N/N=C/c3ccc(N4CCOCC4)cc3C)oc12 409108491 UQPUJVRVNSZHDH-OEAKJJBVSA-N 393.443 3.350 50 40 GGGB C#CCOc1cccc(/C=N/NC(=O)CNc2ccc(Br)cc2)c1 409363373 VRKBMAAEDDVPDT-CIAFOILYSA-N 386.249 3.023 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1OCC 7869462 DBLHOSXVWPSENA-HYARGMPZSA-N 383.448 3.271 50 40 GGGB O=[S@](Cc1ccccc1)OOCCCCO[S@](=O)OCc1ccccc1 104337847 LLWCAMZYBRUNAO-CLJLJLNGSA-N 398.502 3.391 50 40 GGGB C[C@H](Br)C(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1 13856526 AOIFHFUAPIVDGY-JTQLQIEISA-N 381.178 3.008 50 40 GGGB COc1cc(C(=O)N/N=C/c2ccc(-n3ccnc3)cc2)ccc1OC(C)C 7900325 KWWXDUOKNWJIST-YDZHTSKRSA-N 378.432 3.432 50 40 GGGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1O[C@@H](C)C(=O)O 409247450 HJNTZDWQXZVCAO-HNDQUVLASA-N 380.400 3.401 50 40 GGGB COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2C)ccc1OC(C)=O 33333607 FQJBUTXJHRBJPE-FBHDLOMBSA-N 390.823 3.111 50 40 GGGB COc1ccccc1/C=C/C=N/NC(=O)CCN1CCN(c2ccccc2)CC1 6369434 GINSWLWAWAQIGB-VYSPZXASSA-N 392.503 3.023 50 40 GGGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(O)cc2)c(Br)c1 30900882 HHZXULSQYRHLGL-OCKHKDLRSA-N 377.238 3.301 50 40 GGGB COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)sc(C)c1C 33524126 YJLPHLJOZJNFMJ-QPEQYQDCSA-N 386.429 3.411 50 40 GGGB Cc1cc(/C=C(\C#N)C(=O)NNC(=O)c2ccccc2Cl)c(C)n1C1CC1 22990469 JFPPCQMOMVHJDK-XNTDXEJSSA-N 382.851 3.461 50 40 GGGB COc1cc(/C=N/NC(=O)CNc2ccccc2C)cc(Br)c1O 1052637 NGRRPIJHSLAQFN-AWQFTUOYSA-N 392.253 3.034 50 40 GGGB Cc1ccc2c(c1Br)/C(=N/NC(=O)c1ccc(Cl)cc1)C(=O)N2 18091070 UUVCLDGPFSOXAJ-UHFFFAOYSA-N 392.640 3.497 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)O 409047632 OYOAELMXMRNBAF-ZROIWOOFSA-N 384.363 3.233 50 40 GGGB O=C(Nc1cccc(Cl)c1)NN(c1ccccc1)[C@H]1CCS(=O)(=O)C1 5649168 ZCWIWWVDVDJUMR-INIZCTEOSA-N 379.869 3.070 50 40 GGGB COc1ccc(CC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1OC 5676119 KXJXHAYSAOACOA-UHFFFAOYSA-N 383.231 3.014 50 40 GGGB CCOC(=O)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](/C(C#N)=C(\C)N)c1ccco1 102212342 KXGXTPJORJIIDP-ZUUPMSEOSA-N 397.387 3.090 50 40 GGGB CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc4c(c3)OCCO4)ccc21 6508309 PBKBAUNLMKEAMZ-YDZHTSKRSA-N 378.432 3.290 50 40 GGGB CC(C)(O)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 32578388 ITNIFCAIWKAQDC-RGVLZGJSSA-N 391.265 3.249 50 40 GGGB NNC(=O)c1cn(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc12 226768178 JFPILULXZYFDQT-UHFFFAOYSA-N 390.355 3.102 50 40 GGGB O=C(COc1cccc(Cl)c1)N/N=C\c1cccn1-c1cccc(C(=O)O)c1 409097773 JILXBKHGIKRLAD-UUYOSTAYSA-N 397.818 3.358 50 40 GGGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59517046 BMHROFVHZPIHDS-ZVBGSRNCSA-N 384.650 3.413 50 40 GGGB CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 26967761 ZYKBMRVKVVEXTA-FOWTUZBSSA-N 387.399 3.491 50 40 GGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)o1 409145881 QJSGOEFKGXEKBB-MRUVXERFSA-N 395.371 3.047 50 40 GGGB COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)CCl)o2)cc1 39743729 LQFAPYUQLFRNGU-UHFFFAOYSA-N 386.795 3.175 50 40 GGGB O=C(Cc1ccccc1)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 16595342 UTUIBTOJCBMLKM-UHFFFAOYSA-N 382.423 3.301 50 40 GGGB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)CCC1CCCCC1 5830952 LHKHEXGCGNWVRO-OHQAAIJDSA-N 376.497 3.188 50 40 GGGB Cc1cc(/C=N/NC(=O)c2cnccn2)c(C)n1-c1ccc(Br)cc1 3194341 WKEBXRHQMBYRRB-LSHDLFTRSA-N 398.264 3.411 50 40 GGGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1 979542 XNDWTMWCQQNZHV-VXLYETTFSA-N 391.221 3.008 50 40 GGGB O=C(O)CC1(CC(=O)NNC(=O)c2ccccc2Br)CCCCC1 24151157 IVMXTOAVNFHERI-UHFFFAOYSA-N 397.269 3.025 50 40 GGGB Cc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Br 59433285 ULBCJCQIMSQWJB-VCHYOVAHSA-N 376.210 3.359 50 40 GGGB C#CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1OC 20760773 GHRVTCVZNOTNKY-UDWIEESQSA-N 387.233 3.234 50 40 GGGB COc1cc(N2C=C(C#N)S(=O)(=O)c3c(F)cccc32)cc(OC)c1OC 38654614 DTSYZMBKRMRMRS-UHFFFAOYSA-N 390.392 3.142 50 40 GGGB O=C(CSCc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(O)cc1 7813479 BIXRNKFTTVOUJB-UHFFFAOYSA-N 385.272 3.393 50 40 GGGB CCCOc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1OCC 33928086 SNKQLVNRKITHTJ-JLPGSUDCSA-N 397.475 3.031 50 40 GGGB COc1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1OC 36144782 GJXUDTRHVIUVAB-ODLFYWEKSA-N 377.238 3.159 50 40 GGGB COc1ccccc1OCC(=O)N/N=C(\C)c1ccc(Br)cc1 5370082 ODTFVARVEKXZNN-XDHOZWIPSA-N 377.238 3.377 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccncc3)c2C)n1 6964269 HCXBJMRTVLMXCJ-SSDVNMTOSA-N 394.504 3.138 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 3240743 SFJREZBOTBZQCE-NBVRZTHBSA-N 389.411 3.092 50 40 GGGB O=C(CCc1nc2ccccc2s1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 6509177 PYTKWLXUXOQLCU-UHFFFAOYSA-N 391.456 3.080 50 40 GGGB CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H](CI)O2)C1 110915225 XEGXXMPNXYWNKF-BXUZGUMPSA-N 381.254 3.370 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 3085281 PRMNSZDPASZQSZ-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB O=C(O)CCCCCOCCOCCOCCOCCCCCCCl 1848349782 DQFXVBKFPVKFQX-UHFFFAOYSA-N 382.925 3.497 50 40 GGGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N1 988557 QOFDWWSQZKRKGL-SFHVURJKSA-N 386.473 3.242 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1C 5070828 HRRKGSGJKDLRDV-TVJQZGFISA-N 395.459 3.306 50 40 GGGB C#CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC 409142351 JXJHXRDFMJSNNZ-GOSISDBHSA-N 382.803 3.284 50 40 GGGB Cc1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 37390780 SFACDGINPNTFOL-ZDLGFXPLSA-N 376.210 3.359 50 40 GGGB COc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 409006116 MESROBQASXXMTK-OEAKJJBVSA-N 399.878 3.351 50 40 GGGB CCOC(=O)NNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(OC)c1 21770873 PYVFYNRDWDMDTN-UHFFFAOYSA-N 398.394 3.078 50 40 GGGB CCCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 1434174 KANOEXTZBDBSSR-LPYMAVHISA-N 399.447 3.215 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccc(C)cc1 35110164 QRSPYODXEUSMAA-ODXGNSPJSA-N 391.496 3.476 50 40 GGGB C/C(=N\NC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc(C#N)cc1 5781532 WMRQMSJMLBMNEC-OEAKJJBVSA-N 390.472 3.133 50 40 GGGB C/C(=N\NC(=O)CNc1ccc2c(c1)OCO2)c1ccc(Br)cc1 409077585 GCGNCIACJUUXKV-RGVLZGJSSA-N 390.237 3.130 50 40 GGGB CCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SC(C#N)=C(N)N21 408602069 ADJKOOHXOBCSMA-KRWDZBQOSA-N 398.488 3.422 50 40 GGGB O=[N+]([O-])c1ccc(Cl)cc1P(=O)(O)c1cc(Cl)ccc1[N+](=O)[O-] 1870341 MXIQDNBLILLIIU-UHFFFAOYSA-N 377.076 3.031 50 40 GGGB Nc1sc(-c2ccccc2)cc1C(=O)NNC(=S)NCc1ccccc1 642564 BLOFEQKMYQEQOG-UHFFFAOYSA-N 382.514 3.306 50 40 GGGB COc1ccc([C@@H]2[C@@H](O)C(c3c[nH]c4ccccc34)=NN2C(=O)CCl)cc1 12475433 NBHBZOXYVBCAMQ-UXHICEINSA-N 383.835 3.064 50 40 GGGB O=C(N/N=C/c1cccc(Cl)c1)c1c(O)c2cccc3c2n(c1=O)CCC3 100910940 UPWXWFXVJACMNB-SSDVNMTOSA-N 381.819 3.071 50 40 GGGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)[nH]c2ccccc12 408915270 YXABILABBIXGHT-BTVXTAIASA-N 392.459 3.284 50 40 GGGB CC(=O)N/N=C1/NC(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)S1 14162173 OAZAHUGCQFDTEA-YVLHZVERSA-N 385.420 3.016 50 40 GGGB O=C(OC(CCl)CCl)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4592808 DBLKCCYWADWLPI-HMEQZMJYSA-N 396.270 3.225 50 40 GGGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(F)(F)F)c32)ccc1OC(C)C 4870482 TXFNMMCFEGWYOH-ZDUSSCGKSA-N 394.353 3.442 50 40 GGGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2)cc1 192554649 WAULNPVCPBDVDD-SDXDJHTJSA-N 377.444 3.468 50 40 GGGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)cc1 2020929 IEGAGSHGRUFTOK-OEAKJJBVSA-N 389.411 3.417 50 40 GGGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccccc1-n1cccc1 6367753 KGDHMCSZYUDIHQ-HYARGMPZSA-N 379.416 3.267 50 40 GGGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC[C@H]3C)=C2C#N)cc1 6455015 JSMIFKBBRADWNR-RHSMWYFYSA-N 399.516 3.168 50 40 GGGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2 663131 WYOYBAUZEAFYCY-KRWDZBQOSA-N 380.448 3.031 50 40 GGGB CCn1c(NNC(=O)Cc2coc3cc(C)c(C)cc23)nc2ccccc2c1=O 58393426 LMHNYNPDMSXWPE-UHFFFAOYSA-N 390.443 3.465 50 40 GGGB Cc1ccc(OCC(=O)NNC(=O)Cc2nc(-c3cccs3)oc2C)cc1C 12920483 LETVXYRIOMNXGH-UHFFFAOYSA-N 399.472 3.097 50 40 GGGB O=C(O)c1ccccc1NS(=O)(=O)c1ccc(CCBr)cc1 41091680 OGWFAVPCDXBCHA-UHFFFAOYSA-N 384.251 3.123 50 40 GGGB C=CCOC(=O)C[C@@H](C(=O)OCC=C)P(OCCCl)OCCCl 5426667 XRDRHBFSFKXWRZ-LBPRGKRZSA-N 387.196 3.026 50 40 GGGB CCOc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccccc2C)cc1 4381050 KVCNOAFVDRHCAS-XQNSMLJCSA-N 383.448 3.293 50 40 GGGB C[C@@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O 5576465 ILWZOZIUBKAEMX-IKRFMFEDSA-N 395.459 3.388 50 40 GGGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nn1cnc2ccccc21 40068855 QBURFQAOYYGOJK-UHFFFAOYSA-N 392.444 3.066 50 40 GGGB COc1ccccc1NC(=S)NNC(=O)c1ccccc1Br 8855147 WCAUWKAGWKTJSX-UHFFFAOYSA-N 380.267 3.089 50 40 GGGB COc1cccc(/C=C/C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1OC 6946671 BWRIVRGDJDXDMN-VOTSOKGWSA-N 398.503 3.471 50 40 GGGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccccc3)C2=O)cc1C 2238969 HQZFOKGBGALBJO-HGBKYHTQSA-N 377.469 3.215 50 40 GGGB COc1cccc(-c2[nH]nc3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)c1 17208188 FOGPGXKJODSMBE-MRXNPFEDSA-N 389.371 3.212 50 40 GGGB CCOc1ccc(C(=O)N/N=C\c2ccc(O)c(Br)c2)cc1OC 409313864 PSALYEOEIFEIHF-GRSHGNNSSA-N 393.237 3.326 50 40 GGGB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NNC(=O)c3ccccn3)c12 40142856 DZWBNXPVDYYOEL-UHFFFAOYSA-N 394.479 3.088 50 40 GGGB C=CCc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)c1O 730022 ZQUFTNWIHPXVDK-CIAFOILYSA-N 380.473 3.250 50 40 GGGB CCc1ccc2c(c1)/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N2 8446005 UBORNPRDLMQILF-UHFFFAOYSA-N 392.242 3.407 50 40 GGGB Cc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccccc2C)s1 8856384 JJYGULSJQUXYPE-CIAFOILYSA-N 393.472 3.100 50 40 GGGB CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2OCC)cc1 4525192 YUXZWGYTUWARMN-PXLXIMEGSA-N 383.448 3.353 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(O)c1 409392536 QFJCSQHNTJNZLL-SRZZPIQSSA-N 380.356 3.123 50 40 GGGB O=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1cccc(-n2cccc2)c1 409129371 FXJIDHINVKVPNI-JLPGSUDCSA-N 392.434 3.217 50 40 GGGB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)N2C(=N1)SC(C#N)=C2N 408609054 YJKISHKQPJSPOV-KRWDZBQOSA-N 397.504 3.089 50 40 GGGB CC(C)=NNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 19949157 OPPXHTOQWQXWFT-UHFFFAOYSA-N 393.896 3.356 50 40 GGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1OC 6293856 OSBSWYOZMDYBDR-WSDLNYQXSA-N 399.834 3.083 50 40 GGGB Nc1nnc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)s1 1302931 UTXZOORVJLNPAW-FBCYGCLPSA-N 396.259 3.380 50 40 GGGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(OC)c1O 1433836 XBDJQRFCKJGFLQ-FSJBWODESA-N 379.416 3.125 50 40 GGGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1 26642889 XTVBWARIQZVUNZ-FOWTUZBSSA-N 380.400 3.183 50 40 GGGB Cc1occc1C(=O)N/N=C/c1cc(Br)c(Br)o1 4132198 DHDAFYKDETUMOV-LHHJGKSTSA-N 376.004 3.470 50 40 GGGB C=CCOc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 409265904 WTRXLDJTFHCYPQ-PVFDWLMNSA-N 377.444 3.063 50 40 GGGB CC(=O)Nc1cccc(C(=O)N/N=C/c2c(OCC#N)ccc3ccccc23)c1 33684741 MRXMQDXAEDTZDX-ZVHZXABRSA-N 386.411 3.464 50 40 GGGB BrCc1cc(I)cc(CBr)n1 82171829 QMQSLEDQBRQOQS-UHFFFAOYSA-N 390.844 3.476 50 40 GGGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccc(Br)c1 11566317 ADVSPECFRFCHKS-DEDYPNTBSA-N 388.265 3.050 50 40 GGGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1O 6958802 ISRMEDVKASGKEV-UFWORHAWSA-N 394.884 3.094 50 40 GGGB N#CCn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 59333206 QTAOFTRLKDNVPE-MNDPQUGUSA-N 395.466 3.421 50 40 GGGB Cc1ccsc1/C=C(\C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1446796 RCKQARWJEOWTJP-RVDMUPIBSA-N 378.457 3.400 50 40 GGGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(N)=O 408760678 CXKYNVXWPCJZHW-KPKJPENVSA-N 390.226 3.403 50 40 GGGB C#CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC 409136432 SZVXEIJMTYENBH-SFHVURJKSA-N 397.862 3.091 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1O 408961448 CHZDFVOLWCZKLJ-ZVBGSRNCSA-N 397.309 3.482 50 40 GGGB C=CCc1cc(/C=N/NC(C)=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409014402 PLOIXZNANIWHLV-CIAFOILYSA-N 383.404 3.381 50 40 GGGB COC(=O)c1ccc(Cl)cc1N/C=C(/C#N)S(=O)(=O)c1ccccc1 101427332 CLPCNCXRQXJPEC-KAMYIIQDSA-N 376.821 3.377 50 40 GGGB O=C(COc1ccccc1Cl)NNC(=O)c1ccc(OC(F)(F)F)cc1 2627842 CYJHUZANPMBTAR-UHFFFAOYSA-N 388.729 3.079 50 40 GGGB O=C(N/N=C/c1ccncc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 59436939 VNKADSQEFYBATC-NLRVBDNBSA-N 399.498 3.168 50 40 GGGB C#CCn1c(C)c(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c2ccccc21 8811026 WABZLDCAWSUVFI-OEAKJJBVSA-N 375.428 3.364 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 58884837 AZETZGQPMNERKY-OEAKJJBVSA-N 389.411 3.060 50 40 GGGB CCn1c(NNC(=O)c2cc3cc(C)ccc3nc2C)nc2ccccc2c1=O 11164984 QBXYUVVAEIFWCP-UHFFFAOYSA-N 387.443 3.338 50 40 GGGB COc1ccccc1O[C@H](C)C(=O)NNC(=O)Nc1ccccc1C(F)(F)F 17081234 SNQWAELRVOWWRE-LLVKDONJSA-N 397.353 3.334 50 40 GGGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/C=C\c1ccccc1 20171469 DWXLJHOSOZWCJF-TYPWAJMVSA-N 396.922 3.273 50 40 GGGB CC(C)c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1 408731570 LVFAWDNLWBVPIS-SRZZPIQSSA-N 382.855 3.267 50 40 GGGB CCOc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 409005702 JYTGYJHZJZKWCR-BUVRLJJBSA-N 397.450 3.227 50 40 GGGB C/C(N)=C(\C#N)C(=O)COC(=O)CSc1cc(C)c(Br)cc1C 104741317 MFYVVDVSXMDZPR-QXMHVHEDSA-N 397.294 3.027 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(Br)c1 671489 KLKDIEOGKIHUPN-GIJQJNRQSA-N 392.209 3.195 50 40 GGGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)NC(=O)CO3)c(C)n1C1CC1 25602585 FZACMZPTTJQIOU-OVCLIPMQSA-N 376.416 3.316 50 40 GGGB O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4ccccc4N1[C@H]25)C/C3=C/CBr 104103117 PYCYURJYTDMNSJ-ACFNDLBCSA-N 397.316 3.399 50 40 GGGB O=C(N/N=C/c1c(Cl)cccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 2233057 PRMMYRJFMNZLLS-FZTAQKCPSA-N 376.243 3.497 50 40 GGGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OCC)c2)cc1 409264685 RCZVNEDIBAZNSI-HYARGMPZSA-N 399.447 3.059 50 40 GGGB O=C(O)c1cc(-c2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)o2)ccc1Cl 409261522 DLPPMEUPFLQSHP-QPHXDFOYSA-N 398.802 3.482 50 40 GGGB COc1ccccc1OCC(=O)N/N=C(/C)c1cccc(Br)c1 38201816 GKFAFKCNRPOHAT-UNOMPAQXSA-N 377.238 3.377 50 40 GGGB O=C(O)c1ccc(NS(=O)(=O)c2ccc(CCBr)cc2)cc1 41091682 QARSJYVZVVHREV-UHFFFAOYSA-N 384.251 3.123 50 40 GGGB Cc1c(OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)cccc1[N+](=O)[O-] 53837615 GLLDTWRKJNIPIQ-UHFFFAOYSA-N 378.388 3.173 50 40 GGGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(O)cc3)c2C)cc1 9265470 WBCROLSZTSEXCQ-YDZHTSKRSA-N 391.427 3.350 50 40 GGGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)Cc2ccc(Cl)cc2)cc1 100522650 AOGAOINMTDTKGQ-OEAKJJBVSA-N 387.867 3.090 50 40 GGGB N#C/C(=C\c1cccc(O)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 7208799 GEXMKBMPOZGOGK-XNTDXEJSSA-N 383.835 3.428 50 40 GGGB COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1Br 5880240 QNLGJXJHIINXMS-UHFFFAOYSA-N 383.629 3.186 50 40 GGGB Cc1cccc(NCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)c1 100883484 WZZNQHKTZRPYGE-SLEBQGDGSA-N 398.466 3.474 50 40 GGGB C/C(=N\NC(=O)COc1cccc2ccccc12)C1C(=O)c2ccccc2C1=O 100943295 DSRNZNHPLJEGBC-ZVHZXABRSA-N 386.407 3.406 50 40 GGGB CN1c2ccccc2C2=C([C@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)S1(=O)=O 20558295 YXQVUAPCMGWIEV-MRXNPFEDSA-N 399.859 3.296 50 40 GGGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cccc(I)c1 2306098 OGEZJIUMEBHUMT-OAHLLOKOSA-N 390.180 3.215 50 40 GGGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/C=C/c1ccccc1 19367326 AADXQLPRJCPHLT-NTJMOUOKSA-N 396.922 3.273 50 40 GGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COCC(F)(F)F 5130568 FPXQZPRXXINCAL-OAHLLOKOSA-N 394.353 3.024 50 40 GGGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3Cl)[C@@H]2C1 4730529 YOLRNVSNNJRUDP-GDBMZVCRSA-N 384.270 3.349 50 40 GGGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 5723727 HERSTKAHKKQYRA-FYVUTIJQSA-N 396.241 3.339 50 40 GGGB Cc1cccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)n1 1086869 IBOOHLBUSJPUAM-RGVLZGJSSA-N 398.264 3.161 50 40 GGGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)cc1 2355865 ZMVAUDRSTIPEAZ-ZVHZXABRSA-N 390.443 3.430 50 40 GGGB C/C(=N/NC(=O)CCC(=O)Nc1ccc(C)cc1C)c1ccc([N+](=O)[O-])cc1 12447099 PJTJRYYCWORHOR-JCMHNJIXSA-N 382.420 3.471 50 40 GGGB N#CC1=C(N)Oc2ccc(N)cc2[C@@H]1c1cccc(I)c1 995035 CQDIOWLLFPKKRX-HNNXBMFYSA-N 389.196 3.092 50 40 GGGB Cc1c(Br)c(C(F)F)nn1CC(=O)N/N=C/C=C/c1ccco1 2782301 YIAHJRQYAXPJGK-RZVCBAEVSA-N 387.184 3.300 50 40 GGGB CC1=C(C)C[C@H](C(=O)NNC(=O)c2csc3c2CC[C@H](C)C3)[C@@H](C(=O)O)C1 2784934 IXOXXWRWIWPKDB-LKTVYLICSA-N 390.505 3.081 50 40 GGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(F)(F)F)c32)ccc1OC(C)C 4870483 TXFNMMCFEGWYOH-CYBMUJFWSA-N 394.353 3.442 50 40 GGGB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1OC 5095388 MSNDGOKNKXXUOE-QGZVFWFLSA-N 390.399 3.018 50 40 GGGB COc1ccc(CCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 6330000 XLRFYDCDXVENTK-UHFFFAOYSA-N 384.476 3.286 50 40 GGGB COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1ccccc1F 226335586 JDHBPKGXIDZBPH-VOTSOKGWSA-N 395.228 3.179 50 40 GGGB COc1cc(/C=N/NC(=O)/C=C/c2ccc(F)cc2)cc(Br)c1O 408860733 CVZRCKYXMYQYIF-KCHOUBKZSA-N 393.212 3.466 50 40 GGGB CCOc1cc(C(=O)N/N=C\c2ccc(O)c(Br)c2)ccc1OC 409325413 YNCYHZBQHCLJPU-GRSHGNNSSA-N 393.237 3.326 50 40 GGGB COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)c([N+](=O)[O-])c1 409377478 IQIUXWVTSBJSRC-WSDLNYQXSA-N 394.387 3.426 50 40 GGGB Cc1n[nH]c2c1[C@@H](c1ccc(OC(=O)c3cccs3)cc1)C(C#N)=C(N)O2 709753 FPGFQUFACUNGNJ-INIZCTEOSA-N 378.413 3.217 50 40 GGGB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccc(N(CCCl)CCCl)cc1 104373991 LCDINNMCHJQQJZ-UTCJRWHESA-N 399.234 3.250 50 40 GGGB Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 2135518 GGXQUDQQAMVNKC-UHFFFAOYSA-N 382.272 3.251 50 40 GGGB aggregator COc1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccccn2)c1C 409245544 VLTHMLJRBNXTOC-QRVIBDJDSA-N 378.432 3.027 50 40 GGGB COc1ccc(/C=C(/C#N)C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 33459510 JUEICGLXSCKFSB-OCKHKDLRSA-N 394.471 3.230 50 40 GGGB CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 2421520 UJUVDOCJACXLSJ-ACCUITESSA-N 394.818 3.183 50 40 GGGB N#C/C(=C\c1ccc(C(=O)O)cc1)c1nc2ccc(Br)cc2c(=O)[nH]1 25582478 WHCOYLNLZMTGAA-KPKJPENVSA-N 396.200 3.448 50 40 GGGB Cc1cc(C)n(-c2cccc(NC(=O)NNc3nc(-c4ccncc4)no3)c2)n1 95982982 UWWFFFNVMMKNJG-UHFFFAOYSA-N 390.407 3.083 50 40 GGGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 408963437 CINPOYCPDUZAHG-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3124665 RFHXSQKOFKHLHF-XDHOZWIPSA-N 385.380 3.113 50 40 GGGB COc1ccccc1NCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1C 6297677 QQRXGCNQPJRGDY-YDZHTSKRSA-N 377.448 3.060 50 40 GGGB O=C(Nc1cccc(Cl)c1)NN(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 6575323 ZCWIWWVDVDJUMR-MRXNPFEDSA-N 379.869 3.070 50 40 GGGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 104364262 RVFXSFZGHSBBOZ-SQFISAMPSA-N 392.440 3.083 50 40 GGGB CCOc1ccccc1/C=N/NC(=O)c1ccc(I)cc1 10476078 SDJLFSRTGJSQMD-WOJGMQOQSA-N 394.212 3.454 50 40 GGGB COC(=O)c1ccc(/C=N/NC(=O)CCC(=O)Nc2c(C)cc(C)cc2C)cc1 3082683 RNBANMIVBGXXME-YDZHTSKRSA-N 395.459 3.267 50 40 GGGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2n(C(C)=O)c2ccccc32)cc1 2267380 YAZJQNLZMVLVFY-SFHVURJKSA-N 387.395 3.306 50 40 GGGB CCCCCCn1c(SCC(=O)/C(C#N)=C(\C)N)nc2ccccc2c1=O 25425337 MREQDZQAGYUTCB-JQIJEIRASA-N 384.505 3.394 50 40 GGGB C[C@@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)N(C)Cc1ccccc1 5229478 PLCIYDOVNIAKTJ-HDAKKWKLSA-N 391.471 3.250 50 40 GGGB C/C(N)=C(\C#N)C(=O)COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 106089295 QPWFQPJZLJFJQK-KPLBGIEMSA-N 378.472 3.393 50 40 GGGB COc1ccc([C@@H]2[C@H](O)C(c3c[nH]c4ccccc34)=NN2C(=O)CCl)cc1 12475438 NBHBZOXYVBCAMQ-WOJBJXKFSA-N 383.835 3.064 50 40 GGGB CC(C)=NNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 20060212 FUXVFXJNYQGUOB-UHFFFAOYSA-N 393.896 3.432 50 40 GGGB C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1Cl 3628422 JMADPNOKDHVFJR-LJQANCHMSA-N 380.787 3.299 50 40 GGGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc2c(c1)NC(=O)CO2 8113737 MMUDRXFSQVLFDH-FUTSBXMXSA-N 383.473 3.358 50 40 GGGB CCOc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 33907657 SNWTVPKMNBDZRC-PVFDWLMNSA-N 379.460 3.151 50 40 GGGB Cc1cccc(C[C@H]2S/C(=C(\C#N)C(N)=O)N(c3cccc(C)c3)C2=O)c1 11690293 GSFAWRGADWBWQP-DTBMRADHSA-N 377.469 3.215 50 40 GGGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c([N+](=O)[O-])c1OC 711319 YZRMAMBXGOHHNC-HNNXBMFYSA-N 399.403 3.063 50 40 GGGB CCOc1cccc(NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C)c1 8733203 WOKVRYCGLFAIDB-OAHLLOKOSA-N 385.302 3.340 50 40 GGGB COC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 408859283 RYTPEJFUSIEVJH-KEBDBYFISA-N 392.864 3.134 50 40 GGGB N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 35079770 BDFOWLDGUSSVHG-YBEGLDIGSA-N 380.360 3.404 50 40 GGGB COC(=O)c1ccccc1N/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 102673286 KQHFDAWJKHBHAF-SDNWHVSQSA-N 376.821 3.377 50 40 GGGB N#C/C(=C\c1ccc(-c2cccc(Br)c2)s1)C(=O)NC(N)=O 25582023 MYNZJSOGLSTQQA-JXMROGBWSA-N 376.235 3.279 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1O)c1cc(-c2ccccn2)nc2ccccc12 12561265 SJUDPFCUIBBVBT-ZMOGYAJESA-N 384.395 3.472 50 40 GGGB COc1cc(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc(OC)c1OC 5526623 OUTDGYMODMGAQP-LSHDLFTRSA-N 382.338 3.495 50 40 GGGB COc1cccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 16695908 WUXLSWPMMDLVHI-LCYFTJDESA-N 381.457 3.280 50 40 GGGB CCOC(=O)COc1ccccc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1 409232151 HDBCEPWXTSSDDU-YZYPPFLQSA-N 378.428 3.413 50 40 GGGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(=O)OC 408853701 QUUAFSGPKGKZOT-QRVIBDJDSA-N 392.411 3.477 50 40 GGGB COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 12896761 HSNGMKNVKZWNLZ-UHFFFAOYSA-N 390.439 3.375 50 40 GGGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 58914419 MFETWVCYRQYYHZ-OYKKKHCWSA-N 395.846 3.409 50 40 GGGB O=C(NNc1ccccc1)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409141620 WDJGFVWOWJSSCD-UHFFFAOYSA-N 381.417 3.098 50 40 GGGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCCCC3)=C2C#N)cc1 8159095 HYEZQWMZBAXOLQ-KRWDZBQOSA-N 399.516 3.170 50 40 GGGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(C(N)=O)cc1 409194778 RBRAIYHTIWOSQN-PDGQHHTCSA-N 376.460 3.159 50 40 GGGB C=CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 4454197 ARSKFSHSTKWQSG-HNNXBMFYSA-N 387.237 3.264 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])c(OC)cc2OC)cc1 408744817 HLVYUHVODPYKAB-JYRVWZFOSA-N 383.360 3.166 50 40 GGGB COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OC)c(OC)c1 33306085 HFOONKHQMSUELL-GRSHGNNSSA-N 393.237 3.239 50 40 GGGB CC(=O)N/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C 5336798 SFFXUGVHNCIKKT-RQZCQDPDSA-N 381.217 3.169 50 40 GGGB CCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 4691623 ZLNLGABXXSZYLQ-YBEGLDIGSA-N 376.368 3.257 50 40 GGGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc(C)c1 5547926 WSNKXECLLAYCNZ-VXLYETTFSA-N 375.222 3.447 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC 7893486 IFDDHESAYKOPQZ-VXLYETTFSA-N 377.784 3.419 50 40 GGGB CCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2cc(OC)ccc21 15912778 AWWBWIUCOIASNV-FLFQWRMESA-N 395.459 3.050 50 40 GGGB COc1cc(C(=O)N/N=C/c2cccc(C)c2)ccc1I 408747457 OFFCVJYGAZYNTC-VCHYOVAHSA-N 394.212 3.372 50 40 GGGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)o2)c1 408783389 OMXIQVLWKWWXKO-VBKFSLOCSA-N 381.432 3.449 50 40 GGGB N#C/C(=C/c1ccc(N2CCCCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 408858585 QNPCVJANAKOXMJ-AXVXSMEUSA-N 386.459 3.478 50 40 GGGB O=C(N/N=C/c1ccc(Br)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408966150 MZIUNUIUKOJMJH-FRKPEAEDSA-N 378.138 3.460 50 40 GGGB Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)[nH]n1 4663841 ABYXGECUIUMHMY-SRZZPIQSSA-N 382.807 3.355 50 40 GGGB Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 408838316 DLMVFHCXPVXORX-UHFFFAOYSA-N 387.439 3.251 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc(F)cc1 3335097 SECUINLXXYFFBP-WYMPLXKRSA-N 393.374 3.212 50 40 GGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 5196059 AIGOXBIVXIVAEC-SFHVURJKSA-N 395.371 3.500 50 40 GGGB COc1ccc(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)c(OC)c1 5513314 NHCIBPGRRNDALP-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB COc1cc(C(=O)NN)cc(Br)c1OCc1ccccc1Cl 226361267 CSZXCBTXWVNXNO-UHFFFAOYSA-N 385.645 3.294 50 40 GGGB O=C(NNC(=S)NC1CCCCC1)c1cccc(OC(F)(F)C(F)F)c1 2792777 FUNRQTATKXPCKB-UHFFFAOYSA-N 393.406 3.365 50 40 GGGB Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1 6208694 USMTYMXZWGLESB-HNNXBMFYSA-N 386.423 3.020 50 40 GGGB N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)c2ccccc2)c2ccccc21 5204961 PUZNKVFZBFWPFJ-VXPUYCOJSA-N 384.439 3.170 50 40 GGGB COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1OC 4502495 LUZPTMJIEWTQCX-RGVLZGJSSA-N 388.445 3.224 50 40 GGGB Cc1cccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(N)=O)c1 4539947 HTLYWESAWDZMSK-QUWSGOTNSA-N 377.469 3.215 50 40 GGGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1ccc([N+](=O)[O-])s1)CO2 4523689 LKZJDEQNMRAMJE-VRKJEAOJSA-N 389.433 3.244 50 40 GGGB COc1ccc(/C=C(\C#N)c2nnc3n2-c2cc([N+](=O)[O-])ccc2OC3)cc1 5446094 SWZPPIZEWKNIHW-MDWZMJQESA-N 375.344 3.141 50 40 GGGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(N)=O)c3ccccc23)cc1 34690868 UNRRLFPNDRPCKO-PTNGSMBKSA-N 388.427 3.071 50 40 GGGB O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@@H]2C(=O)N1C1CCCCC1 226764917 BUNAMEKZEQPHFL-BJDJZHNGSA-N 393.119 3.241 50 40 GGGB C/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 12362350 YIYCQRRGTXTAKK-WOJGMQOQSA-N 392.209 3.277 50 40 GGGB O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(F)cc1Cl 15877887 BXNOMOUCDSDWJD-UHFFFAOYSA-N 390.720 3.338 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)COc2ccc(OC)cc2)cc1OCC 57617683 ALVNPHCVPGAZNN-HYARGMPZSA-N 386.448 3.412 50 40 GGGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cc2cc(F)ccc2s1 12993358 BDORRXNHBSPQKP-LLVKDONJSA-N 383.404 3.141 50 40 GGGB Cn1cc(C(=O)NNS(=O)(=O)c2cc(Cl)cc(Cl)c2)c2ccccc21 7907409 BGQQNLVGZIDSSZ-UHFFFAOYSA-N 398.271 3.108 50 40 GGGB CCOC(=O)c1sc(NC(=O)CCl)c(C(=O)NCc2ccccc2)c1C 409119565 SVUYSWLJMCXCKV-UHFFFAOYSA-N 394.880 3.341 50 40 GGGB CCNC(=O)COc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1OC 48332900 FPYGRUOANZRXAG-DHDCSXOGSA-N 384.457 3.370 50 40 GGGB CC(C)[C@@H](Br)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 4070333 IEPGOZCZCFZSOJ-SNVBAGLBSA-N 385.243 3.471 50 40 GGGB O=C(Cc1ccccc1)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 34798211 ZVGABOYPBXTZTO-JLPGSUDCSA-N 393.487 3.207 50 40 GGGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(OC)c1OCC(=O)O 59248732 MZENVFQRIHFEAR-BOPFTXTBSA-N 392.411 3.433 50 40 GGGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccco2)cc1 408839395 ROSOVQOWEXRARM-MDWZMJQESA-N 375.384 3.006 50 40 GGGB Cc1ccc(CC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409358174 DAWDZIBNPLNGDR-NVMNQCDNSA-N 392.209 3.064 50 40 GGGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\C1=C(c2ccccc2)N=C2N=CNN2C1 585079414 GTPOGXSJKLAQCQ-WQRHYEAKSA-N 396.454 3.321 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCCC3)c2C)cc1 59959704 PMOVKXIKECLPQI-OEAKJJBVSA-N 380.492 3.302 50 40 GGGB C/C(=N\NC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)c1ccc(Br)cc1 100253008 QPPGSCFFVJPZOO-CLBJDOSESA-N 393.281 3.411 50 40 GGGB C[C@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 2372811 LKVWYLGLMUIGTB-HZDTVXMRSA-N 381.432 3.346 50 40 GGGB CCn1c(NNC(=O)c2ccc3cc(OC)ccc3c2)nc2ccccc2c1=O 8982185 CXKIPBNLGFGBLL-UHFFFAOYSA-N 388.427 3.335 50 40 GGGB CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2csc(C)c2C)s1 6708547 QCBVAINZNNABMF-UHFFFAOYSA-N 397.547 3.407 50 40 GGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 8565332 ZYNSZEZCHFPXQR-CQSZACIVSA-N 378.413 3.143 50 40 GGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2ccc(C)nc2)o1 39402873 LFNWCEUSDXTASN-NHDPSOOVSA-N 380.360 3.331 50 40 GGGB COc1ccc(-c2ncc(/C=N/NC(=O)Nc3ccccc3)cn2)cc1OC 217039069 STOREGMMMTYSCM-YDZHTSKRSA-N 377.404 3.316 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC 5915649 OLENKKRWNHHYEN-DJKKODMXSA-N 393.783 3.038 50 40 GGGB CCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(SC)cc2)CC(=O)N1 6324063 GCEOXHOPGPGWKQ-AWEZNQCLSA-N 375.519 3.007 50 40 GGGB Cc1ccc(S(=O)(=O)NC(=O)NNC(c2ccccc2)c2ccccc2)cc1 2282443 OLRMPTPQMQBSQG-UHFFFAOYSA-N 395.484 3.277 50 40 GGGB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)N2C(=N1)SC(C#N)=C2N 408609061 YJKISHKQPJSPOV-QGZVFWFLSA-N 397.504 3.089 50 40 GGGB Cc1ccc(C(=O)N/N=C/c2cccc(OC(=O)/C=C/c3ccco3)c2)cn1 904054 HNZFUYHMYZYQMN-XCJREZFYSA-N 375.384 3.366 50 40 GGGB O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1ccc(Br)cc1 1959922 HTRNVGTWNNBTJM-RGVLZGJSSA-N 392.228 3.457 50 40 GGGB CCOC(=O)CCSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N1 988545 QQZYTRNBCHYRMO-SFHVURJKSA-N 386.473 3.242 50 40 GGGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)cc3)CC2)cc1 409007693 YZILRADPWWSDAT-OEAKJJBVSA-N 399.878 3.351 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(N)=O 409224580 KUSVBHZJCFYUGG-VGOFMYFVSA-N 399.834 3.067 50 40 GGGB N#C/C(C(=O)CSc1nnnn1C1CCCC1)=C1\Nc2ccccc2S1 104954958 BKECAVGHPUKPHK-VBKFSLOCSA-N 384.490 3.402 50 40 GGGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1occc1COc1ccccc1 14371321 ZSCACEPEQZSXEN-AWEZNQCLSA-N 398.390 3.226 50 40 GGGB CCCCCn1c(O)c(C(=O)N/N=C/c2cccnc2)c(=O)c2ccccc21 2290850 BARVVFMZBXHSCU-OEAKJJBVSA-N 378.432 3.056 50 40 GGGB CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 5718872 SWYXPIPHRAKGMS-SSDVNMTOSA-N 379.338 3.193 50 40 GGGB CCCc1cc2c(=O)n(CC(=O)NN=C3C4CC5CC(C4)CC3C5)cnc2s1 6462340 JXVLFGHEESKOFP-UHFFFAOYSA-N 398.532 3.339 50 40 GGGB CC(=O)n1c(Cl)c(NC(=O)CI)c2ccccc21 9193793 VEKVHBAECLCIKQ-UHFFFAOYSA-N 376.581 3.328 50 40 GGGB COc1ccc2cc([C@@H](C)C(=O)NNC(=O)c3ccc4c(c3)OCO4)ccc2c1 12909876 PAZPHDVNXMYYPI-CYBMUJFWSA-N 392.411 3.142 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(O)c([N+](=O)[O-])c1 408565773 AFANFFSMUZKQKS-CIAFOILYSA-N 385.420 3.299 50 40 GGGB CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)cc1 409365018 SEUZXDKTITYQQH-JAIQZWGSSA-N 391.265 3.419 50 40 GGGB COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1 12275601 BWBUAFAOZISIFH-DYESRHJHSA-N 396.443 3.477 50 40 GGGB CCCCCOc1ccc(C(=O)CCC(=O)OCC(=O)/C(C#N)=C(/C)N)cc1 104365417 DMSILNHMKCVYPE-SDXDJHTJSA-N 386.448 3.087 50 40 GGGB Cc1cc(C)n2nc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)nc2n1 27569266 JSRFBKQBAVSBCT-UHFFFAOYSA-N 385.642 3.458 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc(Cl)c1O 3570769 NKWOOHOQUCKOLK-WUXMJOGZSA-N 386.791 3.371 50 40 GGGB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccccc1OCC(=O)O 13343842 NVKNWWVYXJQAAD-OQLLNIDSSA-N 396.399 3.062 50 40 GGGB C=CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1Br 408735073 NOKFBXPNCOHPSS-AAWPKVBNSA-N 391.265 3.216 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 16758899 NFZSVSDKYLWYLD-XUMLYMLNSA-N 399.422 3.137 50 40 GGGB CCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 408612951 XQGXHFIIRCNANP-LSHDLFTRSA-N 394.258 3.159 50 40 GGGB CC(C)=NNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 19951664 PFSAJHIKGYTKGE-UHFFFAOYSA-N 379.869 3.047 50 40 GGGB CCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)C2CC2)cc1OC 1726722 IENJHSFARBRAML-LPYMAVHISA-N 381.432 3.206 50 40 GGGB O=C(CCC(=O)c1cccs1)NNC(=O)CSc1cccc2cccnc12 8515037 PPRDZALSMNCWGE-UHFFFAOYSA-N 399.497 3.199 50 40 GGGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59433947 WUJXVXVTXAHYIM-AWQFTUOYSA-N 380.231 3.399 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)O 408741683 KIWSAEQDNXILJG-QPEQYQDCSA-N 386.791 3.358 50 40 GGGB C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)C(C)(C)C 408787840 ACVCKOJIWYEHMC-XSFVSMFZSA-N 375.494 3.144 50 40 GGGB CN1C(=C(C#N)C(=O)CCC(=O)N2CCC3(CCC3)C2)N(C)c2ccccc21 79102106 YXPOFZCOKMLZAO-UHFFFAOYSA-N 378.476 3.060 50 40 GGGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 1452705 BFLVFWUEGQAKAT-FOWTUZBSSA-N 376.391 3.169 50 40 GGGB CC(C)(C)OC(=O)NNC(=O)COc1ccc(Br)cc1Cl 2178232 KVHYXJRCHBSJNP-UHFFFAOYSA-N 379.638 3.037 50 40 GGGB COc1cc(C(=O)NNC(=O)CCc2c[nH]c3ccccc23)ccc1OC(C)C 6602061 UESZNJYTSLFLGS-UHFFFAOYSA-N 395.459 3.358 50 40 GGGB COc1cc(/C=C(/C#N)C(N)=S)ccc1OCC(=O)Nc1ccccc1C 33685029 FIPXRHIQNZSRDW-DHDCSXOGSA-N 381.457 3.214 50 40 GGGB CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1O 989528 IABJUUMZNQOSES-VXLYETTFSA-N 393.237 3.083 50 40 GGGB COc1cc(C=C(C#N)C#N)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 799912 BZYVWDAMQLSXLT-UHFFFAOYSA-N 378.344 3.051 50 40 GGGB Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)c1 2617740 KRDOGHGUFOIEFN-UHFFFAOYSA-N 378.428 3.062 50 40 GGGB CCOC(=O)c1cc[n+](Cc2ccc(N(CCCl)CCCl)cc2)cc1 4824372 DLRUIQZVNKFYLK-UHFFFAOYSA-N 382.311 3.483 50 40 GGGB C[C@@H]1CCCCN1C(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 6454988 RLBCPZBKDXNPIU-CJNGLKHVSA-N 387.480 3.299 50 40 GGGB CCC(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 12798728 WTRRWYFKXXEYJI-UHFFFAOYSA-N 379.416 3.090 50 40 GGGB COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(OC)c1 33301378 UOZPGDGMAWNPOG-JLPGSUDCSA-N 390.439 3.090 50 40 GGGB O=C(N/N=C/c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)Nc1ccccc1 409004443 AAEIRGNXJIAUOE-SRZZPIQSSA-N 393.355 3.499 50 40 GGGB O=C(N/N=C/c1ccc(O)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409171336 ZJIQMNQOSCXWEX-ODCIPOBUSA-N 385.729 3.153 50 40 GGGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409243817 USGVRKZEEGTLFX-HKWRFOASSA-N 392.455 3.284 50 40 GGGB COC(=O)c1cc(Cl)ccc1C(=O)[C@H](Br)CBr 575361635 AJNLSVZHDYOLNN-SECBINFHSA-N 384.451 3.468 50 40 GGGB COCCNC(=O)/C(C#N)=C/c1cccc(NC(=O)c2ccccc2Cl)c1 3336692 ZWRYOVQNLCBVNI-RVDMUPIBSA-N 383.835 3.262 50 40 GGGB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CCl)c1 3886033 HATLBPWOVVIHEI-UHFFFAOYSA-N 382.869 3.088 50 40 GGGB COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)c1 4502867 GUBKOCQWUNSDDE-MRXNPFEDSA-N 384.461 3.032 50 40 GGGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)c2)n1 6189275 VOLZBDJZLVJOLF-CIAFOILYSA-N 377.404 3.220 50 40 GGGB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(N2CCOCC2)cc1 6572179 MTGRSFFXHOLGGV-XMHGGMMESA-N 390.487 3.116 50 40 GGGB Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccco2)cc1 8372109 YQBIZLSXYXDVMK-MTJSOVHGSA-N 393.355 3.479 50 40 GGGB CCOc1ccc(C(=O)N/N=C/c2ccc(I)o2)cc1 20763959 UOZCEJMXOCPKRY-CXUHLZMHSA-N 384.173 3.047 50 40 GGGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 36186168 ZCYUWTZANKMTLX-LPYMAVHISA-N 391.383 3.497 50 40 GGGB Cc1ccc(C(=O)N/N=C2/C(=O)N(CCCC#N)c3ccccc32)cc1Cl 100822259 MQOGWVNRIRRQCT-PTGBLXJZSA-N 380.835 3.433 50 40 GGGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)o2)cc1 827336 SLJILAGNJSINLG-UFFVCSGVSA-N 378.340 3.137 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)NC(C)C)c(C)n1-c1ccc(Cl)cc1Cl 58903875 RVURDFRFHWOAJT-ZVBGSRNCSA-N 395.290 3.376 50 40 GGGB O=C(CCl)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 2374827 UBEUETLIIWIDRK-UHFFFAOYSA-N 394.858 3.226 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 408992730 BIBSHKXUQMJUKD-KGENOOAVSA-N 382.420 3.358 50 40 GGGB CCOC(=O)COc1ccccc1/C=C(/C#N)C(=O)NCCCc1ccccc1 409236174 DSNDLYJILKCCGV-HKWRFOASSA-N 392.455 3.284 50 40 GGGB O=C(CCCC[C@@H]1CCSS1)N1CCN(CCc2ccncc2)CC1 96115262 JECKRJXLBQDTGG-GOSISDBHSA-N 379.595 3.482 50 40 GGGB biogenic Cc1ccccc1C(=O)NNC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 40115920 JHMIPTQWNBUXEL-HNNXBMFYSA-N 394.500 3.282 50 40 GGGB CCN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 101507738 VJTMXLGKCDZLHY-OQKWZONESA-N 392.242 3.259 50 40 GGGB COC(=O)[C@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1 9109997 QTUAUNVUVCABIP-ZWKOTPCHSA-N 378.453 3.358 50 40 GGGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1OCC 408977588 JBUHFZVNEIMXSR-LICLKQGHSA-N 397.431 3.088 50 40 GGGB Cc1cc(C)cc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)c1 5724855 ZKVIWNJBQFDSJU-UHFFFAOYSA-N 378.428 3.062 50 40 GGGB COc1cccc(/C=N/NC(=O)C(=O)NCCC(C)C)c1Nc1ccccc1C 408709300 ZEJHTHMFLTVWGJ-ZVHZXABRSA-N 396.491 3.360 50 40 GGGB CSc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 409005300 HJZGZDVLMZJPHW-PXLXIMEGSA-N 381.501 3.411 50 40 GGGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 72228541 MHNQEYFEVPZECS-SFHVURJKSA-N 397.906 3.127 50 40 GGGB O=C(N[C@H](CBr)C(=O)OCc1ccccc1)OCc1ccccc1 196140608 UQNPTPOOAIURSU-MRXNPFEDSA-N 392.249 3.420 50 40 GGGB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CI)C3)cc1 2056225823 CKHBBKAXTBXUKB-OAHLLOKOSA-N 399.272 3.441 50 40 GGGB CCOc1ccc([C@H]2[C@H](C(=O)C3CC3)N3C=C(C#N)C=C[C@@H]3C2(C#N)C#N)cc1 1232531 PTLNYAIIUWITKU-QHAWAJNXSA-N 384.439 3.212 50 40 GGGB CC1(C)CC(=O)C2=C(C1)N(c1nc[nH]n1)C(N)=C(C#N)[C@@H]2c1ccccc1Cl 5408221 OFVMIVSRDGWXHY-INIZCTEOSA-N 394.866 3.399 50 40 GGGB O=NN(CCCl)C(=O)Oc1ccc(OC(=O)N(CCCl)N=O)cc1 5706487 GCLRLRLDZVBMJY-UHFFFAOYSA-N 379.156 3.129 50 40 GGGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cccc(Cl)c1 5756929 WGOQBMPGOVEBRD-REZTVBANSA-N 398.600 3.480 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(O)c([N+](=O)[O-])c1 408568628 VOSZEPAHWRPJCA-CIAFOILYSA-N 379.372 3.155 50 40 GGGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC(C)C)cc1 408905962 GQHZWWOZFULUOB-VRMLFSPKSA-N 397.475 3.281 50 40 GGGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc(Br)s1 13142395 VAKFNEACBNPBRL-UDPFGDFPSA-N 381.251 3.191 50 40 GGGB O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1ccco1 7443253 SMJQIYIWXKLBRL-UHFFFAOYSA-N 389.202 3.472 50 40 GGGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 408725947 JMCAUHIFPUCUAT-HZHRSRAPSA-N 381.476 3.070 50 40 GGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(O)c([N+](=O)[O-])c1 38159596 LWPHQWMHYOBRIU-WSVATBPTSA-N 384.175 3.136 50 40 GGGB C/C(=N\NC(=O)CCN1CCN(c2ccccc2)CC1)c1cc2ccccc2o1 6369400 ZYZQJPPTUPXTFS-HKOYGPOVSA-N 390.487 3.485 50 40 GGGB COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1Br 947067 QKIBSSXFBSSGEG-VXLYETTFSA-N 377.238 3.295 50 40 GGGB COc1ccc(OCCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 6046114 YCOAJWADUHFHFL-UHFFFAOYSA-N 386.492 3.218 50 40 GGGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)c1 6450868 QRFKIVLTIOHQJJ-KRWDZBQOSA-N 393.468 3.406 50 40 GGGB Cc1ccc(C(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 12885654 XQAHBOZCYANNMJ-UHFFFAOYSA-N 385.420 3.244 50 40 GGGB COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1ccc(F)cc1 226335895 DEPMWOVMAMAUBX-QPJJXVBHSA-N 395.228 3.179 50 40 GGGB COC(=O)COc1cccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 409126562 CQJUXHHUZNFZMU-NGZBARDMSA-N 386.473 3.178 50 40 GGGB O=C(N/N=C/c1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409250473 MCCHWZLFZFOLNA-IMRMQAIZSA-N 376.243 3.497 50 40 GGGB O=C(Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1)c1cccc(F)c1 1445062 RQLZZHFFOWVCEJ-LSCMLXDISA-N 392.386 3.229 50 40 GGGB Cc1cccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(F)cc3)C2=O)c1 1888496 PDXJCVORKDCMBS-XUMLYMLNSA-N 381.432 3.046 50 40 GGGB CCCN1C(=O)[C@]2(c3ccccc31)[C@H]1C[C@H](C)CC=C1C(C#N)=C(N)C2(C#N)C#N 36046623 JWLAABFKBCATAV-YIEPVFBUSA-N 397.482 3.437 50 40 GGGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(Cl)c1Cl 59519724 LTEYGDSQFNAUGN-ZVBGSRNCSA-N 384.650 3.413 50 40 GGGB O=C(N/N=C/c1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2ccccc2)C1 2394770 VIFISFFTBNKRFB-BMYBCIMUSA-N 375.350 3.209 50 40 GGGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccccc1C(F)(F)F 408973935 QYOCXAJOBUIGTM-JKHIYUEESA-N 389.377 3.172 50 40 GGGB COc1cc(N2N=C(C)/C(=C/NNC(=O)c3ccc(C)cc3)C2=O)ccc1Cl 408528183 FMVVOZJSKFNDFG-WJDWOHSUSA-N 398.850 3.198 50 40 GGGB COc1ccccc1OCC(=O)N/N=C\c1c(C)nn(-c2ccccc2)c1Cl 33593911 YBMJTTWVEWGYMY-UUYOSTAYSA-N 398.850 3.372 50 40 GGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCCCC2)cc1F 33386966 KHLOCWYFCVCMIC-HMAPJEAMSA-N 384.411 3.417 50 40 GGGB CC(C)[Si](C)(C)OCc1ccc2c(c1)cc(B(O)O)n2C(=O)OC(C)(C)C 201162015 RDQTXVURHRKAGQ-UHFFFAOYSA-N 391.349 3.236 50 40 GGGB CCOC(=O)/C(C#N)=C\Nc1cc(C(=O)OCC)cc2c(OC)c(OC)ccc12 104197518 NJPISWWUUVESGB-OWBHPGMISA-N 398.415 3.416 50 40 GGGB CNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O 4205470 KFDVSGJVKUNQLK-JLHYYAGUSA-N 394.818 3.102 50 40 GGGB CC(C)c1ccccc1NC(=S)NNC(=O)Cc1nc2ccccc2n1C 7738368 LRRWMWLZEHCRSE-UHFFFAOYSA-N 381.505 3.257 50 40 GGGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1 409237678 BCGNDYMZFASKLH-WPBJZHHJSA-N 381.388 3.396 50 40 GGGB Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@H]1C[C@H]1c1ccccc1 18037265 QVHPNNKEAQLJHC-STQMWFEESA-N 398.260 3.334 50 40 GGGB COc1cc(Br)ccc1OCC(=O)N/N=C(\C)c1ccccc1 5221878 VCKKAKZXMHTSGW-XDHOZWIPSA-N 377.238 3.377 50 40 GGGB CN1CCN(c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])CC1 4725939 VGVXBBHJHIIEEY-FOWTUZBSSA-N 388.431 3.287 50 40 GGGB Cc1c(C(=O)NNC(=O)c2c[nH]c3ccccc23)cnn1-c1ccc(Cl)cc1 25448953 YDJSVMQALVABEC-UHFFFAOYSA-N 393.834 3.390 50 40 GGGB CO[C@@H](C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)c1ccccc1 5328751 HRISPISYFDTLRX-XNHPLOEXSA-N 390.281 3.353 50 40 GGGB C#CCOc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 33497805 CRVJYIPFZYVZAG-BWAHOGKJSA-N 384.435 3.085 50 40 GGGB CCc1c(C(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)csc1C 225590965 ZRMPTEDZFYNXCJ-GFOFROLCSA-N 390.505 3.073 50 40 GGGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c1Cl 18325323 DLNHSKONMCEPIP-RMOCHZDMSA-N 387.610 3.117 50 40 GGGB COc1ccc(OCC(=O)N/N=C(\C)c2ccc(O)cc2)c(Br)c1 14921759 DGSCQDODMFXDHS-YBFXNURJSA-N 393.237 3.083 50 40 GGGB Cc1cccc(OCC(=O)NNC(=O)c2cc(Br)ccc2Cl)c1 3362913 BYMXLUVPJZQKGV-UHFFFAOYSA-N 397.656 3.251 50 40 GGGB COc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1COc1ccc(Cl)cc1 13108467 KQJKAAYMBDKJCB-SSDVNMTOSA-N 384.823 3.415 50 40 GGGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1cccc(C)c1O 4691290 NNUKSMPZIKIMSD-ZVHZXABRSA-N 383.492 3.281 50 40 GGGB O=C(Cn1cnc2ccccc2c1=O)NN(Cc1ccccc1)Cc1ccccc1 8158464 VSXATFCLYWVWEQ-UHFFFAOYSA-N 398.466 3.130 50 40 GGGB Cc1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1Br 409146654 URTLBBFDHQTISQ-DNTJNYDQSA-N 390.237 3.048 50 40 GGGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(N3CCOCC3)cc2)cc1 216067674 PEMBDSLEOHEAGC-HAVVHWLPSA-N 381.476 3.466 50 40 GGGB COc1cc2ccccc2cc1C(=O)N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2 33636612 ODJATVVMXQKUJI-FBHDLOMBSA-N 393.355 3.249 50 40 GGGB COc1ccc(C(=O)NNC(=O)CSc2nc3ccc(C)cc3cc2C)cc1 915617 KVKPTEBACKVXEB-UHFFFAOYSA-N 395.484 3.414 50 40 GGGB O=C(COc1ccccc1Cl)N/N=C/c1cccn1-c1ccc(C(=O)O)cc1 12512930 UYGRMLFMZSQVBR-WSDLNYQXSA-N 397.818 3.358 50 40 GGGB CCCCN1C(=O)/C(=N\NC(=O)COc2cccc(Cl)c2)c2ccccc21 18148509 VIYKUFSQKXXEAI-NMWGTECJSA-N 385.851 3.386 50 40 GGGB CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H](CI)O2)C1 110915222 XEGXXMPNXYWNKF-SMDDNHRTSA-N 381.254 3.370 50 40 GGGB CCCC1=C(C(=O)OCC)[C@H](c2cc3ccc(C)cc3[nH]c2=O)C(C#N)=C(N)O1 931599 FNJZKYQMVTTWAH-GOSISDBHSA-N 393.443 3.262 50 40 GGGB CN1C(=O)/C(=N/NC(=O)c2ccccc2Cl)c2cc(Br)ccc21 103675877 MYLKBRVGYWCXTM-XMHGGMMESA-N 392.640 3.213 50 40 GGGB COC(=O)c1ccc(CNC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1 36754345 DUAMKJSMAZFAKX-UHFFFAOYSA-N 383.326 3.198 50 40 GGGB COc1ccc(CC(=O)N/N=C/c2cc(Br)cs2)cc1OC 4515232 HJTCVOSVXCFNPJ-CAOOACKPSA-N 383.267 3.221 50 40 GGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 4837257 JWXJHSPYWPRQLP-GOSISDBHSA-N 395.371 3.500 50 40 GGGB CCOc1cccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c1O 408867400 INYZMARIWRXDFA-MHWRWJLKSA-N 382.416 3.031 50 40 GGGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc4ccccc34)CC2=O)cc1 409157913 WELIHWPZMALRKH-SMNNTEATSA-N 387.439 3.352 50 40 GGGB Cc1cc([N+](=O)[O-])ccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 5697771 UAOLHGUZSARFFU-HZHRSRAPSA-N 389.411 3.289 50 40 GGGB Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 848848 WZQBWJBMEQKCAT-HXUWFJFHSA-N 386.411 3.187 50 40 GGGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2s1 106238982 FSHNTZVVYKWSDY-CAOOACKPSA-N 386.345 3.187 50 40 GGGB CCOC(=O)C/C(C)=N/NC(=O)CSCc1ccccc1Br 408719669 JMRSFYVWRNHXCP-GZTJUZNOSA-N 387.299 3.128 50 40 GGGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)COc1ccc2ccccc2c1 5512144 HLJMDICJAGLYOX-YDZHTSKRSA-N 394.427 3.395 50 40 GGGB O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1-n1cccc1 5688147 WZYFDYCOGMBYTI-UHFFFAOYSA-N 391.452 3.254 50 40 GGGB O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)C12CC3CC(CC(C3)C1)C2 5788609 KUFOJAVOOACDQW-UHFFFAOYSA-N 396.409 3.448 50 40 GGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)=O)cc2)cc1 408754717 HEEKELDDJGXXDZ-SFQUDFHCSA-N 378.384 3.334 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 409262597 IBUQYYLFCBWKHO-OEBVFIGYSA-N 391.471 3.371 50 40 GGGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1c(F)cccc1F 970032 XKQRAHWYVCKLME-UHFFFAOYSA-N 394.687 3.499 50 40 GGGB COc1cc(/C=N\NC(=O)Nc2ccc(C)c(C)c2)ccc1O[C@@H](C)C(=O)O 409016682 VKEJNOQDCXNRNW-LRXPYSHVSA-N 385.420 3.320 50 40 GGGB CNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O 3644276 JMRQYARTRVXDER-LFIBNONCSA-N 388.427 3.065 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3o2)cc1OC 4951429 NOSOWFPGWKOSCU-CIAFOILYSA-N 385.445 3.478 50 40 GGGB CC[C@H]1CCc2sc(C(=O)N/N=C/c3ccc(N(C)CCO)cc3)cc2C1 4952586 KTEPXBDDPAHBKJ-WXUSHSQQSA-N 385.533 3.455 50 40 GGGB Cc1cc(C)cc(OCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1 8684859 SHLVXIMIMRTXRJ-UHFFFAOYSA-N 377.400 3.067 50 40 GGGB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21 409204096 BARXCTIGBIBEBB-QRYYFKOISA-N 390.487 3.228 50 40 GGGB COc1ccc(-n2cccc2/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 33617811 CKDFMXSJSRZQDZ-STZFKDTASA-N 378.388 3.087 50 40 GGGB O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1ccn(CC(F)(F)F)n1 252492773 MWGZLRFTIAGXSG-CGOBSMCZSA-N 395.168 3.281 50 40 GGGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@H]1c1c(Cl)cccc1Cl 5567546 YESCWRGGARKRCU-JQEORGNBSA-N 377.153 3.265 50 40 GGGB CCOP(=O)(C[C@@H]1N(c2ccc(C)cc2)C(N)=C(C#N)C1(C#N)C#N)OCC 15084178 HZNKURLHQAVWIT-KRWDZBQOSA-N 399.391 3.177 50 40 GGGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(O)cc1 30809215 WILVGPQXLCOBMC-NHDPSOOVSA-N 378.344 3.252 50 40 GGGB O=C(CCl)N[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O 2311305 WOXJJSFPNRLWMC-GOSISDBHSA-N 386.835 3.098 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1 5177187 UYAPBTKXNJEYIH-VXLYETTFSA-N 390.237 3.180 50 40 GGGB CCc1nc(SCC(=O)NNC(=O)c2ccc(C)cc2)c2ccccc2n1 15935974 NRQMBTHVPQQMRC-UHFFFAOYSA-N 380.473 3.054 50 40 GGGB O=C(Cc1ccccc1)N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1 35011782 IUWQYRIHMYBXJR-CJLVFECKSA-N 394.452 3.147 50 40 GGGB Cc1ccccc1C(=O)NNC(=O)C1(c2ccc3c(c2)OCO3)CCCCC1 64114503 AHMQCLFFDRKOKT-UHFFFAOYSA-N 380.444 3.387 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(N)=O 408808489 JCLGKUPDHIKOOP-RIYZIHGNSA-N 399.834 3.067 50 40 GGGB COc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1OCC#N 409378187 NDJZHYWTAFYFHM-OYKKKHCWSA-N 389.411 3.280 50 40 GGGB CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2c(OC)cccc2OC)c1 2888734 UTVMSPVRQKTQFN-RVDMUPIBSA-N 381.384 3.393 50 40 GGGB COCCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(C#N)cc2)c2ccccc12 1745325 JGAKXSAOMNFPKC-XDHOZWIPSA-N 384.439 3.231 50 40 GGGB Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1 100505636 QVHPNNKEAQLJHC-CHWSQXEVSA-N 398.260 3.334 50 40 GGGB CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c2ccccc21 2332613 URXSNVOBLAJXOA-IZHWHUGBSA-N 397.434 3.026 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCC(=O)O 408748290 BKTGFYSISGDMMQ-YDZHTSKRSA-N 392.411 3.466 50 40 GGGB N#C/C(=C\c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)Nc1ccccc1 409175584 SMXOULDCALJLCM-NBVRZTHBSA-N 375.428 3.233 50 40 GGGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1 409145477 QYPUGIIWDVHBHJ-WYMPLXKRSA-N 395.356 3.445 50 40 GGGB C/C=C(/CCl)n1c(S)c(C(=O)OCC)c(=O)c2cc3c(cc21)OCO3 255187667 GAMKFWCDIAYLPS-OQFOIZHKSA-N 381.837 3.295 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1O 3060016 PIESOABUSAHLTN-LPYMAVHISA-N 377.400 3.033 50 40 GGGB C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)[C@H]1C[C@H]1c1ccccc1 100505499 KKVNQYWVBZCMRP-BVZKRWNYSA-N 380.404 3.219 50 40 GGGB COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1O[C@H](C)C(=O)O 409244349 BJLXLHLLVBBULV-JMKVTYIUSA-N 392.411 3.464 50 40 GGGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 408792455 AAPSDHFGPDAOQL-MDWZMJQESA-N 386.791 3.143 50 40 GGGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N)c2C)c1 408591292 SRCOAXWSOQNXSG-ZMOGYAJESA-N 390.443 3.227 50 40 GGGB O=C(COc1cccc2ccccc12)NNC(=S)NCCCc1ccccc1 408585820 JUAAODLJTWATNF-UHFFFAOYSA-N 393.512 3.347 50 40 GGGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc1OC 408817567 WOWOKGZJAPQNQE-ACLQVGRQSA-N 391.265 3.291 50 40 GGGB Cc1ccc(O[C@@H](C)C(=O)NNc2nc(C)cc(C)n2)c(Br)c1 40145244 VDSWOAPOCZHMNF-LBPRGKRZSA-N 379.258 3.075 50 40 GGGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c2ccccc21 13389579 IKQRNXPVFFFEFN-PTNGSMBKSA-N 389.411 3.369 50 40 GGGB O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)C(c1ccccc1)c1ccccc1 6280668 MPQJPDWUYYWNGS-UHFFFAOYSA-N 389.411 3.117 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1cccc([N+](=O)[O-])c1 59334236 CCHVIXSTJQGWOL-SXGWCWSVSA-N 381.388 3.178 50 40 GGGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)s1 63181897 AFUMDPFPDKDORJ-UHFFFAOYSA-N 398.815 3.352 50 40 GGGB Cc1cccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)c1 6924247 XTEFNUTVDNBSHB-UHFFFAOYSA-N 393.553 3.470 50 40 GGGB Cc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1Br 409045785 HZWTYFWKJSGNNH-CAOOACKPSA-N 378.182 3.135 50 40 GGGB COc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)c(O)c([N+](=O)[O-])c1 36664997 RHAMHPVIBHPGDJ-SSDVNMTOSA-N 394.387 3.024 50 40 GGGB CCCCCC1=CCC/C1=N/NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 97991958 AGQPSDGMXHCFIE-HKWRFOASSA-N 383.901 3.374 50 40 GGGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@@H]2CN(c3ccccc3)CC=C12 5409281 NQFIDFODDCAWRJ-RTWAWAEBSA-N 378.439 3.012 50 40 GGGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc(Cl)c1O 2763240 FILOFNUQIIIVIR-DNTJNYDQSA-N 396.230 3.105 50 40 GGGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc2c(c1)OCO2 4750805 VIWRUSGHOXOQIP-WYMPLXKRSA-N 399.406 3.034 50 40 GGGB CCOC(=O)c1csc(N(NC(C)=O)C(=O)Nc2ccc(Cl)cc2)n1 1415211 LFODVSNXUCUERF-UHFFFAOYSA-N 382.829 3.063 50 40 GGGB C[C@H](NC(=O)NNC(=O)c1cc(Br)c[nH]1)c1ccccc1Cl 12698638 QALBOTZIUMRWGV-QMMMGPOBSA-N 385.649 3.136 50 40 GGGB CC(C)c1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3Cl)C2=O)cc1 2248430 FUOULAFIDNMLEY-KRWDZBQOSA-N 385.851 3.030 50 40 GGGB Cn1c(NNC(=O)c2cc3ccccc3o2)nc2sc3c(c2c1=O)CCCC3 2361500 SIDZBFIDEFDCRQ-UHFFFAOYSA-N 394.456 3.377 50 40 GGGB O=C(NNC(=O)c1ccccc1SC(F)(F)F)c1ccc2c(c1)OCCO2 46181082 WYZVUBXUFMSMEM-UHFFFAOYSA-N 398.362 3.145 50 40 GGGB CCn1c(C)nc2cc(C(=O)NNC(=O)Cc3c(F)cccc3Cl)ccc21 2619569 FCKBOJLRUFEILC-UHFFFAOYSA-N 388.830 3.161 50 40 GGGB C/C(=N\NC(=O)CCNC(=O)c1ccccc1)c1ccc(Br)cc1 5612598 YOJLGXFFLSKWIL-FYJGNVAPSA-N 388.265 3.109 50 40 GGGB CCCN1CC=C2[C@H](C1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 20026559 INJLUPRJKXNPGW-LPHOPBHVSA-N 377.879 3.475 50 40 GGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cc2cc([N+](=O)[O-])ccc2s1 110188542 ATZUVMAMYTVJDX-CAOOACKPSA-N 386.345 3.187 50 40 GGGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(=O)N1CCCC1 409373633 WXYPBTDZESOYOH-NBVRZTHBSA-N 375.428 3.233 50 40 GGGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 408728622 PYNZTGHXBOLIOP-LPYMAVHISA-N 378.384 3.346 50 40 GGGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccc1 39986442 OGZCHBJITPOEPG-JWGURIENSA-N 399.516 3.160 50 40 GGGB COc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 5721237 SAELSYJJOANWSS-HNNXBMFYSA-N 393.468 3.406 50 40 GGGB CN(C)c1ccc(/C=N/NC2=N[C@@H]3CCC[C@@H](Br)[C@@H]3S2)cc1 5334054 BREBZNSSLCAGBN-XSHSKCDQSA-N 381.343 3.464 50 40 GGGB CCc1ccc(C[C@@H]2S/C(=C(\C#N)C(N)=O)N(c3ccccc3)C2=O)cc1 2236065 PHDNDLLKAXLBFJ-KOXKPCSVSA-N 377.469 3.161 50 40 GGGB Cc1scc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1-c1ccccc1 102206984 GAEZUJFCWZUVDB-ZZCKCESHSA-N 398.484 3.231 50 40 GGGB CCCN1C(=O)[C@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C)C[C@@H]32)c2ccccc21 4103629 TVMAWGLOBOWAHG-VLVQHTJOSA-N 397.482 3.437 50 40 GGGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/C=C\c1ccccc1 22931280 AADXQLPRJCPHLT-ITNGITJRSA-N 396.922 3.273 50 40 GGGB CNc1ccccc1C(=O)OCC(=O)/C(C#N)=C1/Sc2ccccc2N1C 96809774 IYTWSGRTBRDNGY-XMHGGMMESA-N 379.441 3.431 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409007224 VQTBNOCMTAZKJR-LPYMAVHISA-N 385.851 3.048 50 40 GGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1 1472142 AYFPTLMYMFAUTE-OAQYLSRUSA-N 399.450 3.432 50 40 GGGB biogenic Cn1nc(C(=O)NN(Cc2ccccc2)c2ccccc2)c2ccccc2c1=O 32256854 IQCBGTHTBMEURU-UHFFFAOYSA-N 384.439 3.285 50 40 GGGB COc1cc(C=NNC(N)=O)cc(Cl)c1OCCOc1ccc(C)cc1 4207675 YMELKQNPHGFOEJ-UHFFFAOYSA-N 377.828 3.117 50 40 GGGB CCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 6323102 IMXJYHIKQQVAHR-CQSZACIVSA-N 377.897 3.328 50 40 GGGB CCc1c(C(=O)NNC(=O)Cc2ccccc2)cnn1-c1cccc(Cl)c1 24542525 QLDXMYIABGIRHU-UHFFFAOYSA-N 382.851 3.092 50 40 GGGB O=C(NNc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 45971668 OWJRIBMGFJNCAF-UHFFFAOYSA-N 391.468 3.147 50 40 GGGB O=C(O)COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1 409391227 IBOZPSRKYAIVLG-IWIPYMOSSA-N 388.423 3.432 50 40 GGGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1)c1cccs1 409085123 YKSSVZFKPAFCMU-GIJQJNRQSA-N 385.357 3.378 50 40 GGGB COc1cc(/C=C(\C#N)C(N)=S)ccc1OCC(=O)Nc1ccc(C)cc1 408541914 FRONOVGOUPSZKN-OQLLNIDSSA-N 381.457 3.214 50 40 GGGB COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(Cl)cc2Cl)C1=O 9530789 LMYGYTHOUDWRRR-LCYFTJDESA-N 380.231 3.144 50 40 GGGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2)s1 408732873 ZZWRRGZGHIJHSW-YBFXNURJSA-N 393.900 3.403 50 40 GGGB O=C(/C(=C1\NC[C@@H](CBr)S1)[n+]1ccccc1)c1ccccc1 32096293 HGSCYMLAYOLWJA-CQSZACIVSA-O 376.299 3.083 50 40 GGGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2)cc1 5288280 ODZJMPQAVMREJI-LPYMAVHISA-N 389.839 3.248 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1[N+](=O)[O-] 4954002 HEMIZNIAUCNCRL-VXLYETTFSA-N 399.432 3.044 50 40 GGGB O=C(NNC(=O)c1ccnc2ccccc12)c1cc(F)ccc1Br 103115340 CCKOEAOIJJGPDO-UHFFFAOYSA-N 388.196 3.211 50 40 GGGB CCC(=O)NNC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CCCC3 4218046 UJOMYGFEYRQACN-UHFFFAOYSA-N 392.550 3.343 50 40 GGGB N#CC1=C(SCC(=O)N2CCCCC2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 6495438 GKUYAQDOZLYDJF-OAHLLOKOSA-N 389.908 3.424 50 40 GGGB Cc1ccc(Cl)cc1NC(=O)CNNC(=O)c1ccc(Br)cc1 3257520 RPEDTZHMKIOQRZ-UHFFFAOYSA-N 396.672 3.284 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC)cc1)c1ccccc1 408982510 YFHRCFCGBPJOHR-QTCOBDOFSA-N 383.448 3.413 50 40 GGGB O=C(NNc1ncnc2sc3c(c12)CCCC3)c1cc2ccccc2oc1=O 908117 XMURYQCVOSTSQC-UHFFFAOYSA-N 392.440 3.433 50 40 GGGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C3\C(=O)Nc4ccccc43)cc2)c1 5447667 UPYZASBTBDDQSW-UHFFFAOYSA-N 398.422 3.334 50 40 GGGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 4778788 WWNAHFKGTMMUBZ-CROSZVBWSA-N 399.403 3.366 50 40 GGGB O=C(CN1CCCCCC1=O)N/N=C1/CCCOc2c1ccc(Cl)c2Cl 98055421 RJLHBQSEPAWOTP-STZFKDTASA-N 398.290 3.389 50 40 GGGB Cc1c(C(=O)NN=Cc2ccc(-c3ccccc3C(=O)O)o2)sc(N)c1C#N 408729744 JCNJTVBSXPNXNK-UHFFFAOYSA-N 394.412 3.233 50 40 GGGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)o2)c([N+](=O)[O-])c1 408734178 FGVKGFXSFCDJKT-LRFDDAOPSA-N 397.387 3.066 50 40 GGGB CC1(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)OCCO1 1101153 CNXJZFGLJWBHCH-FYJGNVAPSA-N 396.472 3.204 50 40 GGGB COc1ccccc1/C=C/C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 6187555 BHALANCVIVTEBQ-ZHACJKMWSA-N 375.384 3.093 50 40 GGGB COc1cc(OC)cc(C(=O)NNc2nc3c(OC)ccc(OC)c3s2)c1 4121476 UDFMKMKHJUFFLG-UHFFFAOYSA-N 389.433 3.088 50 40 GGGB O=C(NNC(=O)c1ccccn1)c1ccc(COc2ccc(Cl)cc2)cc1 6448998 OJXXLMUDNCYBOH-UHFFFAOYSA-N 381.819 3.389 50 40 GGGB CCOc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1O 33154834 JXTAYRQKIIMQOB-NVMNQCDNSA-N 379.210 3.023 50 40 GGGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1cccc(Cl)c1Cl 59117312 PWLGRRUQVRQKHF-XYOKQWHBSA-N 390.226 3.403 50 40 GGGB C/C(CC(=O)NCc1ccccc1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 101158366 DHOHJWLNYXHIOW-CIAFOILYSA-N 388.811 3.060 50 40 GGGB C=CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC 193794522 RBQIENQQQURRFK-PDGQHHTCSA-N 378.428 3.492 50 40 GGGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2N)cc1OC 409030205 DRUHPDRZPUFFJD-KEBDBYFISA-N 392.253 3.203 50 40 GGGB CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Cl)c1O 409058084 RDXYESNAZCYDNG-VXLYETTFSA-N 377.784 3.045 50 40 GGGB O=P(O)(c1ccccc1Br)c1ccccc1Br 1725597 MLQXYNWMVSKFPP-UHFFFAOYSA-N 375.984 3.433 50 40 GGGB N#CC(C#N)=C(N)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1 103703023 KASNXTMGTICQGK-UNXLUWIOSA-N 394.026 3.084 50 40 GGGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)Cc1ccc(Cl)cc1 100923057 QJGSGKUZGIPCHV-CIAFOILYSA-N 388.811 3.312 50 40 GGGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 2296822 CIPXBEYHPNYVKJ-AWEZNQCLSA-N 389.433 3.010 50 40 GGGB O=C(CCl)Nc1c(C(=O)NCc2ccccc2)noc1C(=O)c1ccccc1 4770261 TZTSHQUCGKFPQT-UHFFFAOYSA-N 397.818 3.013 50 40 GGGB CCC(=O)c1ccc(OCC(=O)NNC(=O)c2cc3c(s2)CCCC3)cc1 9255812 AXDFLMZSXIAYGZ-UHFFFAOYSA-N 386.473 3.060 50 40 GGGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cccc2ccccc12 408608312 VTQHKGLKTGLJEU-QGZVFWFLSA-N 376.441 3.398 50 40 GGGB COCCCNC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408799285 HBIBFANWBMAEHQ-QGOAFFKASA-N 395.415 3.233 50 40 GGGB CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2F)c2ccccc21 5266629 GAGIOHWLYKOMPF-ZPHPHTNESA-N 390.418 3.167 50 40 GGGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OC(C)C 8336673 SMFATNITJXPDTD-KEBDBYFISA-N 388.493 3.132 50 40 GGGB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](Cl)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 118926566 GXEPQZPCYMHNEU-PPSNJJKASA-N 380.912 3.315 50 40 GGGB C[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 2372810 LKVWYLGLMUIGTB-ITEXZYEPSA-N 381.432 3.346 50 40 GGGB O=C(CSCc1ccc(Cl)c(Cl)c1)NNC(=O)c1cccc(O)c1 11675966 BWTWOEPMHXYCOF-UHFFFAOYSA-N 385.272 3.393 50 40 GGGB Cc1ccc(SCC(=O)NNC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 7652960 LICZXBAYWYKABA-UHFFFAOYSA-N 394.500 3.351 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)cc1 408590608 PVZRKPJVGLBXSG-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB COC(=O)CC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 73386806 SANSOCWLNPIPNC-UHFFFAOYSA-N 377.400 3.113 50 40 GGGB O=C(NNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccco2)c1 48369877 QGSPDZYJLTWKMZ-UHFFFAOYSA-N 383.791 3.260 50 40 GGGB Cc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 102622785 SKLGBYSSACJLKX-OEXQXWKBSA-N 384.657 3.158 50 40 GGGB COc1cc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc(OC)c1OC 716739 PSMKMTDKCSEPNI-BEFAXECRSA-N 390.443 3.306 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)O 408805648 BKHQUAMBYGKCBZ-CLXYIWAZSA-N 394.427 3.333 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(C(=O)O)cc1 34737097 XDCLXSUXUHMIEB-ZDLGFXPLSA-N 394.427 3.404 50 40 GGGB CCc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3cc2OC)cc1 15890784 SGXVYIIQNGYIJM-UHFFFAOYSA-N 378.428 3.251 50 40 GGGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cc(C)c(O)c(C)c3)oc12 8301172 HVMWFMHFLIAODW-AWQFTUOYSA-N 383.360 3.436 50 40 GGGB C/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)c1cccc([N+](=O)[O-])c1 106824807 UHXISQVAQGSUHK-LPYMAVHISA-N 388.383 3.249 50 40 GGGB COc1ccc(OCC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)c([N+](=O)[O-])c1 104855266 QCMYPSKJBQPLBM-SOTCZMSNSA-N 375.425 3.301 50 40 GGGB C=CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1Br 408735074 NOKFBXPNCOHPSS-HNRFISLBSA-N 391.265 3.216 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1O)[C@H]1Oc2ccccc2O[C@@H]1c1ccccc1 1470148 MIGUEPYMUYUVKI-ZLTNTPEESA-N 390.395 3.129 50 40 GGGB CCN(CC)c1ccc(/C=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 36077413 DFHHUNKNKQYZSH-QRVIBDJDSA-N 386.883 3.066 50 40 GGGB CCOc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc(OCC)c1OCC 652524 BBTYVDGLRXUEQC-YBFXNURJSA-N 391.380 3.148 50 40 GGGB O=C(N/N=C/c1cccc2ccccc12)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 2942869 YTOZJVVCQPPNFS-PDERCVKFSA-N 375.403 3.482 50 40 GGGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1ccc(Br)cc1 3424992 ZSVQXFWHEQPOKE-UHFFFAOYSA-N 385.620 3.245 50 40 GGGB COC(=O)[C@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccccc1 9109996 QTUAUNVUVCABIP-QZTJIDSGSA-N 378.453 3.358 50 40 GGGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(F)c3F)[C@H]2C1 4631455 BEKHUVRGOKGOBJ-FUHWJXTLSA-N 379.414 3.100 50 40 GGGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1cc(OC)ccc1OC 408991690 QXOMMBFSSPFKBG-OQLLNIDSSA-N 382.416 3.074 50 40 GGGB COC(=O)N/N=C/c1ccc(OCc2nc3ccccc3nc2C)c(OC)c1 16265377 WLMAOSCDYMQCSP-SRZZPIQSSA-N 380.404 3.216 50 40 GGGB N=C1NC(c2ccccc2)=N[C@@]1(NC(=O)c1ccc(F)cc1)C(Cl)Cl 101411854 DLFSJQZFGYEKIP-QGZVFWFLSA-N 379.222 3.083 50 40 GGGB C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)C(C)(C)c1ccccc1 32904524 YFNLFCOERXTQPM-CYBMUJFWSA-N 382.489 3.222 50 40 GGGB COc1ccc(C(=O)NNc2nc3c(OC)ccc(OC)c3s2)cc1OC 4121478 UXYLZGHCVQHHPG-UHFFFAOYSA-N 389.433 3.088 50 40 GGGB Cc1cc(C(=O)NNC(=O)c2ccccc2Br)c(C)n1C1CC1 29484401 CUYKQOFAQVDEMA-UHFFFAOYSA-N 376.254 3.277 50 40 GGGB CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 408807771 ORDXMECPJPMKBC-NNIWKIFQSA-N 391.471 3.374 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)OC)cc2)cc1 3304547 YIEUSHWZXGGRJP-CPNJWEJPSA-N 376.412 3.261 50 40 GGGB COc1ccccc1/C=C1\S/C(=N/NC(=O)c2cccc(Cl)c2)NC1=O 4903622 MFHIMKMVMPZYPS-GDNBJRDFSA-N 387.848 3.254 50 40 GGGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 58911440 LDVLMXIBBWKOGT-LSHDLFTRSA-N 393.274 3.153 50 40 GGGB COc1ccc(CSCC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)cc1 59474276 KYEZFYBLUHBOSB-KGENOOAVSA-N 388.489 3.486 50 40 GGGB C[C@H](Oc1ccc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)cc1)C(=O)O 408853381 RVANPMBIFAJONC-QNEYSMKTSA-N 394.349 3.250 50 40 GGGB O=C(N/N=C/c1ccccn1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 408861245 ASPMAGNHPHAYCZ-NLRVBDNBSA-N 399.498 3.168 50 40 GGGB Cc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1Br 408973822 BZFCPCPWDPZLKF-DJKKODMXSA-N 375.222 3.179 50 40 GGGB CN1C(=O)/C(=C(/C#N)C(=O)Nc2ccccc2)c2cc(Br)ccc21 409115853 HUSHEDNKWFMMIQ-PEZBUJJGSA-N 382.217 3.341 50 40 GGGB Cc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCCCCC3)c3ccccc32)cc1 100134510 MDFIBMZBSYXGMZ-DARPEHSRSA-N 390.487 3.309 50 40 GGGB Cn1c(SCC(=O)N/N=C/c2ccccc2)nnc1-c1ccc(Cl)cc1 2319380 QWMMSQWNODWHTK-RGVLZGJSSA-N 385.880 3.378 50 40 GGGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 408723035 PRVHPDJVFHGFKN-IGOAIWRZSA-N 396.241 3.339 50 40 GGGB COc1ccc(Br)c(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1 15938183 MPDHAYCFUIAAPG-UHFFFAOYSA-N 395.278 3.083 50 40 GGGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc1OC 408817571 WOWOKGZJAPQNQE-ZBQKXELDSA-N 391.265 3.291 50 40 GGGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc(OC)c1OC 3035673 YZDSTBFBYCDOBQ-UFFVCSGVSA-N 392.839 3.203 50 40 GGGB CCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(=O)(=O)NC)cc2)o1 25888184 HKSYFISYQBVFFK-NTCAYCPXSA-N 388.445 3.105 50 40 GGGB CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 409008075 STOMYWCMIYVOAE-VBKFSLOCSA-N 380.400 3.183 50 40 GGGB COc1cc(/C=N\NC(N)=O)cc(Cl)c1OCCOc1cccc(C)c1 34262178 XPLUMKJOGDSRJD-NHDPSOOVSA-N 377.828 3.117 50 40 GGGB N#CC1=C(SCC(=O)c2ccccc2)NC(=O)C[C@H]1c1ccc2c(c1)OCO2 5870827 RHYFMZLSQBWUHF-HNNXBMFYSA-N 392.436 3.370 50 40 GGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 19954557 ATLISRGXXXXUJE-FYJGNVAPSA-N 387.505 3.035 50 40 GGGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(C)=O 1294020 QLVXJLDFMXKXBN-KEBDBYFISA-N 399.428 3.004 50 40 GGGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc(OC)cc3)o2)c1 408724333 BOYBZYCDSWSIPF-OEAKJJBVSA-N 392.411 3.435 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(C(=O)O)o1 33659300 QHZVPYSIFVYDGN-WSDLNYQXSA-N 394.383 3.329 50 40 GGGB COC(=O)COc1ccccc1/C=N/NC(=O)c1cc2ccccc2cc1OC 33746617 ANWYXLCFXKUVNL-YDZHTSKRSA-N 392.411 3.164 50 40 GGGB Cn1cc(C(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc21 7907355 ISGQPFCMTOXGFJ-UHFFFAOYSA-N 398.271 3.108 50 40 GGGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C 58884377 CEKMTSXOCMFKCS-OEAKJJBVSA-N 390.443 3.192 50 40 GGGB C/C(CCc1ccco1)=N\NC(=O)CCC(=O)N/N=C(\C)CCc1ccco1 4018562 SKERANGMMSNTKB-YHARCJFQSA-N 386.452 3.202 50 40 GGGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Cl)c1OCC(=O)O 408954978 NZTLKTPWPTUJCR-UASXDDEGSA-N 394.855 3.088 50 40 GGGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cccc(C#N)c2)cc1 7727818 CGGHYPUOSMQBIU-UHFFFAOYSA-N 397.481 3.219 50 40 GGGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCCC3)c2C)c1 408973814 VILABNWJQHGSCL-OEAKJJBVSA-N 380.492 3.302 50 40 GGGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccc(O)c1 408980718 SPHBHRZEAYVCCG-DOZBRYHWSA-N 387.439 3.404 50 40 GGGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2ccc(Cl)cc2)cc1 5663491 QCEQRDCZBULHAX-JKSUJKDBSA-N 392.242 3.134 50 40 GGGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1 59434181 KNGBMBNOHRMKOA-OEAKJJBVSA-N 389.411 3.105 50 40 GGGB O=C(Nc1ccccc1C(=O)NNC(=O)c1ccco1)c1ccc(Cl)cc1 409001978 LGWOJOVHPGNERC-UHFFFAOYSA-N 383.791 3.260 50 40 GGGB O=C(COc1cccc(F)c1)NNC(=O)Cc1ccc(-c2ccccc2)cc1 32971048 XRMHASJRHQSGBK-UHFFFAOYSA-N 378.403 3.262 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccc(C)nc2)cc(Br)c1O 4017802 KNZDVZXWMDMULB-UFWORHAWSA-N 378.226 3.021 50 40 GGGB COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1O 169617545 CSTFGGJEJBVLQF-DYJUAFMKSA-N 381.270 3.440 50 40 GGGB O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)CC12CC3CC(CC(C3)C1)C2 6111660 OWXOKJYABAUXEY-DUXPYHPUSA-N 382.460 3.182 50 40 GGGB Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C 8030081 IHRJUJYKLNGFJX-OAHLLOKOSA-N 386.423 3.020 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 58884686 OLXPDOASGDUUTQ-ODCIPOBUSA-N 385.729 3.153 50 40 GGGB Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)cc2O)cc1 408998110 AHOGQUNZFDMTKK-YDZHTSKRSA-N 389.411 3.422 50 40 GGGB COC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1 409018871 XGJZOFRIFWDSMM-FBHDLOMBSA-N 386.791 3.402 50 40 GGGB CCOC(=O)c1sc(NC(=O)CCl)c(C(=O)NC2CCCCC2)c1C 409112780 DAGUPIKLKTVFPJ-UHFFFAOYSA-N 386.901 3.473 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1cccc(C)c1 409242772 YGBKZPDEVFBQCZ-CHHVJCJISA-N 399.834 3.338 50 40 GGGB COc1cc(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1037203 SPHNUJSORLUECQ-UHFFFAOYSA-N 399.230 3.094 50 40 GGGB CC(C)(C)NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(CCCC2=O)N1 2224093 CHQBBHHKIOMZCF-KRWDZBQOSA-N 385.489 3.357 50 40 GGGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1 408842276 IRMSOIQTGAEHPD-MDWZMJQESA-N 375.384 3.006 50 40 GGGB CCc1ccccc1N1C(S)=C(C#N)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 4513614 VTSUCKDFRRKIDI-QGZVFWFLSA-N 380.429 3.457 50 40 GGGB O=C(N/N=C/c1ccccc1O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409006063 LNPMAXVFPZAVJT-LPYMAVHISA-N 385.851 3.048 50 40 GGGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1C 408969759 UAYHIDBSEGXQSR-MFKUBSTISA-N 388.471 3.169 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1Br 1091256 SPHKGAKQUZCGHQ-DJKKODMXSA-N 390.237 3.008 50 40 GGGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2ccccn2c1=O 2421747 JJSOHXOARSRWGZ-NTCAYCPXSA-N 375.384 3.265 50 40 GGGB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)CCCl)cc3)C2=O)cc1 5531674 NLIDQBLFNQTSRQ-QGOAFFKASA-N 397.862 3.336 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C/c2cccn2-c2cccc([N+](=O)[O-])c2)c1 6388844 HHVNUQYNHVUISK-FYJGNVAPSA-N 394.387 3.167 50 40 GGGB C/C(=N\NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1)c1cc(Cl)sc1Cl 8315584 ZYCRQOAAJGYCGE-GIJQJNRQSA-N 389.308 3.284 50 40 GGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1OC 8567858 VWBZYFHWQPSPKF-HNNXBMFYSA-N 380.429 3.374 50 40 GGGB COc1cc(OC)c2[nH]c(C(=O)NNC(=O)c3ccc(OC(C)C)cc3)cc2c1 12740655 WEVUUPFYWVHBGY-UHFFFAOYSA-N 397.431 3.047 50 40 GGGB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)CC(C)C 103918424 KANWNZNPLRUBBI-AQTBWJFISA-N 387.440 3.038 50 40 GGGB O=[S@](Cc1ccccc1)OOCCCCO[S@@](=O)OCc1ccccc1 104337851 LLWCAMZYBRUNAO-FTJBHMTQSA-N 398.502 3.391 50 40 GGGB COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 832011 DLQWXZDYFWCQPD-JTQLQIEISA-N 383.231 3.231 50 40 GGGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1F 3080359 AWWBRUWHYXTHJE-ZVHZXABRSA-N 391.402 3.494 50 40 GGGB Cc1c(/C=N/NC(=O)c2ccncc2)c2ccccn2c1C(=O)c1ccncc1 3172857 UIQMIHAYZFEKDT-AFUMVMLFSA-N 383.411 3.033 50 40 GGGB Cc1ccc(Cl)c(OCC(=O)NNC(=O)c2ccc(Br)cc2)c1 3325304 KDMAHZXZQVNQIQ-UHFFFAOYSA-N 397.656 3.251 50 40 GGGB N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 3524609 XGYMJHIZHVSVDG-PVZSTHCMSA-N 377.356 3.468 50 40 GGGB O=C(N/N=C/C(=O)c1ccccc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 3664715 GNSWZRUGSCSFBJ-HKRWFOJLSA-N 397.434 3.442 50 40 GGGB CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O1 4476292 YFKKSSDKZJNGPK-LJQANCHMSA-N 398.459 3.388 50 40 GGGB COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 4515093 WUPQXWPYJAKWDT-JLHYYAGUSA-N 375.222 3.379 50 40 GGGB N#CCOc1ccccc1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 408534455 VQSIEIBYTAEOGT-BHGWPJFGSA-N 376.338 3.170 50 40 GGGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OC)c1O 408543101 OWTHREFQJBGGPB-SXGWCWSVSA-N 378.384 3.373 50 40 GGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C 408707938 MTRLCKCPSPSVCI-IKMPRTQCSA-N 382.464 3.112 50 40 GGGB CCOc1ccc(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408835671 YZOUCNXECCYXHH-NTEUORMPSA-N 381.344 3.237 50 40 GGGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1 409007298 NPULODPJRFAJCM-SSDVNMTOSA-N 392.367 3.415 50 40 GGGB O=C(CCBr)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 13945490 CYVHMBDAUVRHML-UHFFFAOYSA-N 390.233 3.412 50 40 GGGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1Cl 4601920 YYEUKOHLWSEHMB-UHFFFAOYSA-N 397.656 3.251 50 40 GGGB Cc1ccc(N(CC(=O)NN=C2CCCCCC2)S(C)(=O)=O)cc1Cl 408874081 YEFMZFWUSYZYAA-UHFFFAOYSA-N 385.917 3.241 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H](C)SCc1ccccc1 40140381 RJSQIBPHVQOHHK-GFCCVEGCSA-N 378.881 3.432 50 40 GGGB CCc1c(C(=O)NNC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)csc1C 225591001 ZRMPTEDZFYNXCJ-OQUILHJVSA-N 390.505 3.073 50 40 GGGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 5744889 ZLYKDGYJPPYLTP-LSHDLFTRSA-N 379.338 3.111 50 40 GGGB COC(=O)[C@@H](Br)[C@@H](Br)c1ccc(OC)c(OC)c1 1673138 VUQXQDMEVQHEDS-QWRGUYRKSA-N 382.048 3.076 50 40 GGGB COc1ccc([C@H]2[C@@H](O)C(c3c[nH]c4ccccc34)=NN2C(=O)CCl)cc1 12475434 NBHBZOXYVBCAMQ-PMACEKPBSA-N 383.835 3.064 50 40 GGGB CCCNC(=O)NN(C(=O)NCCC)c1nc(-c2ccc(OC)cc2)cs1 3768115 CLBGEFUDNRGHAE-UHFFFAOYSA-N 391.497 3.369 50 40 GGGB COCCn1c(C)cc(/C=N/NC(=O)COc2cccc(C(F)(F)F)c2)c1C 7988226 WNVOLHRDZPIIOO-FOKLQQMPSA-N 397.397 3.299 50 40 GGGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408607902 FOQBOCCEEGYEQY-LSHDLFTRSA-N 394.258 3.159 50 40 GGGB N#C/C(=C/c1cc(F)ccc1F)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 98008637 SUWXNRUNXUMFGQ-WZUFQYTHSA-N 387.298 3.190 50 40 GGGB C[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 1066601 RMMCATFSIRSCGT-LOMXTUQMSA-N 390.237 3.129 50 40 GGGB C=CCc1ccccc1OCCOc1ccc(/C=C(\C#N)C(N)=O)cc1OC 4592134 UJCLTGUHCNPTMD-QGOAFFKASA-N 378.428 3.274 50 40 GGGB CCO[C@H]1CC([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)=CC=C1OC(C)C 803728 UNUOINQMIIXTBI-FUHWJXTLSA-N 384.432 3.162 50 40 GGGB COc1cc(OC)cc(C(=O)NNC(=O)Cc2c(Cl)cccc2Cl)c1 3366648 PBMHHAQLYKFPBQ-UHFFFAOYSA-N 383.231 3.014 50 40 GGGB COc1ccc(OCC(=O)NNC(=O)CCc2ccc(-c3ccccc3)o2)cc1 15885127 FBRLKQOIMSWTJE-UHFFFAOYSA-N 394.427 3.114 50 40 GGGB COc1ccc(Cl)cc1C(=O)N/N=C(\CSCC(=O)O)c1ccccc1 18196256 DMYJTSJZQGLJHL-HMMYKYKNSA-N 392.864 3.301 50 40 GGGB CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 408712021 WAGYYBCHCALVST-KGENOOAVSA-N 385.420 3.475 50 40 GGGB COc1cc(OC)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(OC)c1 408967342 VCLKKUVHSWQUOL-KEBDBYFISA-N 399.359 3.131 50 40 GGGB CCc1nc(N2CCN(C(=O)CCl)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 1377064 BOUWNGNDHMQJOU-LBPRGKRZSA-N 392.956 3.266 50 40 GGGB C/C(=N\NC(=O)c1ccccc1O)c1ccc(I)cc1 7950474 IKFXLXPIEHINCS-LICLKQGHSA-N 380.185 3.151 50 40 GGGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1O 3139865 PYESIJVHJXHAEU-VXLYETTFSA-N 393.237 3.083 50 40 GGGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(Sc2ncccn2)o1 409121975 ZNBFEWOBFBXBNP-RMKNXTFCSA-N 380.223 3.453 50 40 GGGB COC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1 409253002 FSZBXHXNEVADON-OEAKJJBVSA-N 382.460 3.229 50 40 GGGB CCOC(=O)C1=C(Nc2ccccc2)SC/C1=N\NC(=O)Cc1ccccc1 18037581 RMOKILWUPSTESX-HAVVHWLPSA-N 395.484 3.335 50 40 GGGB CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 5877817 MQCXUJSLNJNTEF-UHFFFAOYSA-N 397.258 3.161 50 40 GGGB Cc1ccc(C(=O)NNC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 32794922 HYXNLOYXDKHLAY-UHFFFAOYSA-N 375.432 3.015 50 40 GGGB N#CC1=C(SCC(=O)N2CCCCCC2)NC(=O)C[C@H]1c1ccc(F)cc1 6495392 WLWQGAREGHRPOV-INIZCTEOSA-N 387.480 3.300 50 40 GGGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc1 3231801 DEHFADHHPJAFAC-LFVJCYFKSA-N 395.503 3.350 50 40 GGGB C/C(=N/NC(=O)COc1ccc(Cl)cc1C)C1C(=O)c2ccccc2C1=O 100682503 YYKWAOBTDHLHIX-UUYOSTAYSA-N 384.819 3.215 50 40 GGGB O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1cccc([N+](=O)[O-])c1 409151354 BKXKXDHITVAFJM-RGVLZGJSSA-N 379.328 3.317 50 40 GGGB Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccccc3C#N)cc1)C(C#N)=C(N)O2 409127023 CPYURLFZAAOCKR-HXUWFJFHSA-N 383.411 3.387 50 40 GGGB COc1cccc(C(=O)N/N=C/c2ccccc2I)c1 5527433 VDSICUKARYGKRE-LICLKQGHSA-N 380.185 3.064 50 40 GGGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 951078 GTSUGAPTLCAKBA-OQLLNIDSSA-N 397.383 3.012 50 40 GGGB CN(NC(=O)c1cccc(C(F)(F)F)c1)c1c(C#N)c(C(F)(F)F)nn1C 1401775 HFQSCEBFGQSNAU-UHFFFAOYSA-N 391.275 3.111 50 40 GGGB CCOC(=O)C1=C(CBr)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 4218875 APJYTDRSOQCJPY-OAHLLOKOSA-N 379.254 3.127 50 40 GGGB N#CC1=C(SCC(=O)N2CCCCC2)NC(=O)C[C@H]1c1ccc(Cl)cc1 6495385 GKUYAQDOZLYDJF-HNNXBMFYSA-N 389.908 3.424 50 40 GGGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 14187170 LXSDVWJQKMCEMI-ZDUSSCGKSA-N 383.379 3.018 50 40 GGGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@@H]2C1 33352856 YOLRNVSNNJRUDP-ZBFHGGJFSA-N 384.270 3.349 50 40 GGGB COc1ccc(-c2nnc([C@H]3CCCN(C(=O)NCCCl)C3)s2)cc1 38900467 NHRAVFXWOHGCGM-ZDUSSCGKSA-N 380.901 3.342 50 40 GGGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccco3)c2C)c1 408972859 WHPBZJUTYOENFM-WYMPLXKRSA-N 392.459 3.070 50 40 GGGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccc(I)c2)n1 409379229 VXFJGODFEYIWNC-NTUHNPAUSA-N 377.185 3.352 50 40 GGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c(OC)c1 798290 KIEYBVMCNKPSGG-HXUWFJFHSA-N 388.427 3.416 50 40 GGGB Cc1cc(Cl)ccc1NC(=O)CCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 2100727 VYSPSTZZLAAQJH-GIJQJNRQSA-N 394.840 3.487 50 40 GGGB Cc1ccccc1N1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=C(/C#N)C(N)=O 2196401 HDXRTBBINCBCIB-MNTXUITRSA-N 381.432 3.046 50 40 GGGB CCOc1cc(C(=O)NNC(=O)c2ccc(C)s2)cc(OCC)c1OCC 14241276 FASSTCYURGLRSW-UHFFFAOYSA-N 392.477 3.327 50 40 GGGB Cc1nc2sccn2c1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 18199511 HTDUWNDXNFIKFW-CYBMUJFWSA-N 376.397 3.029 50 40 GGGB CC(C)=NNC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409029125 WNFNQXRMEGKKHB-OAHLLOKOSA-N 389.477 3.145 50 40 GGGB O=C(CCC(=O)c1ccccc1)NNC(=O)CSc1cccc2cccnc12 9995966 NKIAWGCIJGKZRE-UHFFFAOYSA-N 393.468 3.137 50 40 GGGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)o1 409076602 AZRAXHUOEAXKNT-SRZZPIQSSA-N 376.328 3.196 50 40 GGGB CCOc1cc2c(cc1/C=C(/C#N)C(=O)NCCCc1ccccc1)OCO2 409243171 ZLXJCFVECRIVDZ-WQRHYEAKSA-N 378.428 3.470 50 40 GGGB O=C(CCCC[C@H]1CCSS1)N1CCn2c(nnc2C(F)(F)F)C1 95478508 QJYACPKJMZCAFQ-JTQLQIEISA-N 380.461 3.353 50 40 GGGB C/C(=N/NC(=O)CCn1nnc2ccccc21)c1ccc(Br)cc1 1302523 RMWKARCLGHQCAH-UNOMPAQXSA-N 386.253 3.124 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1Br 704721 WTZFFWJZFQVAGV-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccco2)cc1 8372282 VRCHDJFDXOMDJT-MTJSOVHGSA-N 393.355 3.479 50 40 GGGB CCCOc1ccc(C(=O)N/N=C/c2ccc(I)o2)cc1 20197399 CJMXIFLUCAABEN-LICLKQGHSA-N 398.200 3.437 50 40 GGGB CCOc1ccccc1NC(=O)[C@@H](NNC(=O)c1cccn1C)c1ccccc1 32814704 VTWYIPQSRVJZBI-FQEVSTJZSA-N 392.459 3.038 50 40 GGGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 104849199 XGXLHPHXPBGORH-CWIUKYHQSA-N 376.412 3.147 50 40 GGGB C#CCOc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409227807 REYOHFTZKHQZKW-MTJSOVHGSA-N 389.224 3.293 50 40 GGGB COc1cc(C(=O)NNC(=S)Nc2ccc(F)cc2)ccc1OC(F)F 652912 LUWPPXSGCSDGKR-UHFFFAOYSA-N 385.367 3.067 50 40 GGGB CC(C)NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1 6358291 ZUNOHDAMQYAYDY-YCRREMRBSA-N 388.059 3.349 50 40 GGGB Cc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(C)n1-c1nccs1 7785937 NRKXDXIQPIHIEU-GIEPYWIESA-N 393.472 3.340 50 40 GGGB COc1ccc([C@@H](CNC(=O)/C(C#N)=C/c2cccc(OC)c2)N(C)C)cc1 32202898 ZUHZUTQCMYBJJK-MUPHDSPYSA-N 379.460 3.030 50 40 GGGB COc1ccc(C(=O)NN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 32853659 YDTHFJFGIOFTQP-HXUWFJFHSA-N 375.428 3.310 50 40 GGGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 33535328 FWVQXCQXIAQOFC-WSDLNYQXSA-N 378.384 3.076 50 40 GGGB COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 33591509 SBWFPPVGMLCVDL-OHBSIKEHSA-N 394.258 3.330 50 40 GGGB O=C(N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1cccnc1 408543066 OQJSVXRPEIOWAF-FOKLQQMPSA-N 388.383 3.140 50 40 GGGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408613481 ZVOUFPWCSPASOB-YDZHTSKRSA-N 387.867 3.285 50 40 GGGB CCCOc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1 3352368 BLZADEBHLSVRPZ-UHFFFAOYSA-N 377.238 3.313 50 40 GGGB O=C(NNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccccn1 44774309 PBKAAJJAOYBWRM-UONOGXRCSA-N 378.457 3.202 50 40 GGGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC)cc2)cc1 408743515 GILZAYNUBFYFHW-VBKFSLOCSA-N 380.400 3.183 50 40 GGGB COc1cc(OC)c(/C=N\NC(=O)Cc2ccc(C)cc2)cc1Br 409366601 WWZVGHLTCAOSLK-JAIQZWGSSA-N 391.265 3.468 50 40 GGGB COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1 803593 USZWHSGSKKJVCH-HXUWFJFHSA-N 388.427 3.416 50 40 GGGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 948118 MJCXSHYLWJUCQK-AWNIVKPZSA-N 394.792 3.301 50 40 GGGB COc1ccccc1-n1c(NNC(=O)C2CCCCC2)nc2ccccc2c1=O 19894272 CELDSTVBNSTWSA-UHFFFAOYSA-N 392.459 3.418 50 40 GGGB COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408801452 TVOLPWSOJKCAGZ-XYOKQWHBSA-N 375.768 3.178 50 40 GGGB COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1 809403 LFTXSWWQZDJWQF-QGZVFWFLSA-N 376.368 3.028 50 40 GGGB COc1ccc(C(=O)N/N=C(\C)CC(=O)NC2C3CC4CC(C3)CC2C4)cc1 100338951 LSMGHIMPJZIAQS-ZMOGYAJESA-N 383.492 3.132 50 40 GGGB O=C(CC12CC3CC(CC(C3)C1)C2)NNS(=O)(=O)c1ccc(Cl)cc1 7519232 JAYMSUFGSZYGCY-UHFFFAOYSA-N 382.913 3.256 50 40 GGGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1O 409153362 HVJWZHPHHJJZAR-DNTJNYDQSA-N 396.230 3.105 50 40 GGGB O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)Nc1ccccc1 409109185 ZGHGNBKCGURTIU-PXNMLYILSA-N 379.170 3.219 50 40 GGGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1cccc(Oc2ccccc2)c1 223163086 TVDPWMHYRDDEAZ-UQQQWYQISA-N 387.439 3.288 50 40 GGGB O=C(NNC(=O)c1cccs1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 9721709 HQDNJCDJZRMLLR-UHFFFAOYSA-N 389.440 3.071 50 40 GGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1 59459586 ZAVKEKAHUFMDFA-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Cl)c2cccnc2c1O 59459101 NIEVCOYPBOISGB-UFFVCSGVSA-N 384.779 3.195 50 40 GGGB Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NC3CCCC3)c3ccccc32)cc1 5324827 WJSGIJPQSQVURL-MRCUWXFGSA-N 398.466 3.479 50 40 GGGB O=C(COc1ccc(F)cc1F)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 24763131 KDMZEQKBILNMJM-UHFFFAOYSA-N 391.252 3.414 50 40 GGGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)c1 408591568 UXHVTMRDHPGOEH-YDZHTSKRSA-N 376.416 3.040 50 40 GGGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(O)cc1O 17080757 RZHQWUSQNXFZNK-QGMBQPNBSA-N 395.278 3.244 50 40 GGGB O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(CN2CCCCC2)cc1 17524192 WOMUPFHWOLTWTP-UHFFFAOYSA-N 376.460 3.229 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1O 408996874 KHFPVZYBKAMXDH-CIAFOILYSA-N 379.372 3.010 50 40 GGGB COCCn1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 15228279 MCKSWPQAAVCNLO-MOSHPQCFSA-N 390.487 3.499 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2ccc(Br)cc2)c([N+](=O)[O-])c1 1054346 CHOITGUWLBDJFO-GIJQJNRQSA-N 392.209 3.195 50 40 GGGB C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)[C@H]1c1ccccc1 20347854 ZQXKUKNKSYZWDH-LJQANCHMSA-N 398.484 3.408 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(OC)c1OC 2805895 VVFWWUBDFAKTQA-VGOFMYFVSA-N 397.387 3.475 50 40 GGGB COc1ccc(/C=N/NC(=O)CC2(C)SCCS2)cc1Br 6348138 RCCAOFJECJBLSB-CXUHLZMHSA-N 389.340 3.494 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccccc1 16437408 YPCQPCOHXOCNMH-RQRMZWKBSA-N 392.455 3.476 50 40 GGGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3O)c2C)cc1 408741304 IILDEZACUAURDR-YDZHTSKRSA-N 391.427 3.350 50 40 GGGB O=C(N/N=C/c1cc(Br)ccc1O)c1cccc(Cn2cccn2)c1 1081826 YGFFSVDOBNREDU-RGVLZGJSSA-N 399.248 3.163 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 5409198 UEPMGNDBWSOVSC-INIZCTEOSA-N 399.389 3.219 50 40 GGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc2nccnc2c1 13013658 XPXRKBQBOZTVNQ-LSFURLLWSA-N 375.215 3.466 50 40 GGGB CCO[C@@H]1CC([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)=CC=C1OC(C)C 803729 UNUOINQMIIXTBI-SJLPKXTDSA-N 384.432 3.162 50 40 GGGB C/C(N)=C(\C#N)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 104336800 DMNWQTMHLQYMCK-BENRWUELSA-N 382.470 3.069 50 40 GGGB Cc1ccc(OCCC(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1C 58357810 MZMGGIXUPYCIPG-UHFFFAOYSA-N 379.416 3.189 50 40 GGGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCC#N)c(OC)c2)c(C)c1 408909564 VFYLVABAQKPDHW-BUVRLJJBSA-N 395.459 3.388 50 40 GGGB O=C(COc1ccccc1)N/N=C\c1cccc(OC(=O)c2cccs2)c1 33288422 LPHMEFLGIIDEJM-BKUYFWCQSA-N 380.425 3.496 50 40 GGGB CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O 1777699136 FDDYWULOPIJDFP-MGYGNFHQSA-N 396.556 3.223 50 40 GGGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 22022869 JBSLDBITUIQSNT-WQRHYEAKSA-N 376.210 3.440 50 40 GGGB CCCCn1c(=O)c(C(=O)N/N=C/c2ccccc2F)c(O)c2ccccc21 100709940 CSTFKTWCMXTNQH-YDZHTSKRSA-N 381.407 3.410 50 40 GGGB CC(C)N1CC=C2[C@H](C1)[C@@H](c1ccc(F)c(F)c1)C(C#N)=C(N)C2(C#N)C#N 1070241 XEGIZJVREANKME-KXBFYZLASA-N 379.414 3.099 50 40 GGGB O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NCc1ccccc1 6447636 GQHWVBQQLUVPFK-UHFFFAOYSA-N 384.288 3.068 50 40 GGGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1c(Cl)cccc1Cl 7782418 ZWVHEYRLDNVBRW-ZVBGSRNCSA-N 384.650 3.413 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 4682502 XGINJHWUSJNDDR-SGTLLEGYSA-N 377.356 3.396 50 40 GGGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(=O)O 408854419 FLVZXWVYSMHJJU-UUYOSTAYSA-N 378.384 3.389 50 40 GGGB Cc1ccc(C(=O)NNC(=O)N(C)Cc2ccc(Br)s2)cc1 17447492 HIYSPNYXSMEOAW-UHFFFAOYSA-N 382.283 3.305 50 40 GGGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(OCC#N)c(OC)c1 408819125 YHMBERJREPUFKE-ZTFCMROMSA-N 392.253 3.182 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1 920728 HUGSEQCCWXZEGP-LPYMAVHISA-N 384.432 3.180 50 40 GGGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 2502519 KLMLIJKBLVMPBY-FQEVSTJZSA-N 380.400 3.431 50 40 GGGB COC(=O)Cn1nc(C)c(CNC(=O)CCCC[C@H]2CCSS2)c1C 95448216 USPDRGKEYGSKLA-AWEZNQCLSA-N 385.555 3.003 50 40 GGGB COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccc2ccccc12 409243860 VKQIYEARFAVXIZ-LFVJCYFKSA-N 389.455 3.449 50 40 GGGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(N3CCOCC3)o2)c1 408990744 LQQABLMRPITYTK-CIAFOILYSA-N 387.505 3.117 50 40 GGGB CC(C)(C)c1nc(SCC(=O)NNC(=O)c2ccccc2)c2ccccc2n1 15935930 KUUJHMPVWPOXRN-UHFFFAOYSA-N 394.500 3.481 50 40 GGGB Cn1c(CC(=O)NNC(=S)Nc2cccc3ccccc23)nc2ccccc21 6025454 QGIJPVNYLAHVTO-UHFFFAOYSA-N 389.484 3.287 50 40 GGGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(C)c2ccccc21 100943639 XUYXJFPBOCVJCU-ICRFPGRDSA-N 392.242 3.258 50 40 GGGB CCn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nnc1-c1ccc(C)cc1 1474345 YUOKUJYQIVWMJM-CIAFOILYSA-N 395.488 3.221 50 40 GGGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 2227123 IDRSTXAHAQQYRS-HNNXBMFYSA-N 375.350 3.414 50 40 GGGB C/C(=N/NC(=O)Cn1cnc(-c2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1 4730412 XPJOMASKPLAIGT-XKZIYDEJSA-N 381.367 3.138 50 40 GGGB COc1cc2c(cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl)OCO2 409067415 CXKFWGVYURBZGA-IFRROFPPSA-N 397.214 3.260 50 40 GGGB CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(I)c1 409011018 FJYBELPDDNIOCF-VCHYOVAHSA-N 394.212 3.340 50 40 GGGB Cc1ccc(Cl)cc1NC(=O)CCC(=O)N/N=C/c1ccc2c(c1)OCO2 3660220 NGYUMXOFXUJDFH-UFFVCSGVSA-N 387.823 3.246 50 40 GGGB CCn1cc(-c2noc(CNC(=O)CCCC[C@H]3CCSS3)n2)cn1 575615958 IAULSDCCRWQOKL-ZDUSSCGKSA-N 381.527 3.283 50 40 GGGB O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1c(O)ccc2ccccc12)c1ccccc1O 1633542 DRQSPJXYANHMHN-ZWKOTPCHSA-N 382.803 3.087 50 40 GGGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cnc2ccccn2c1=O 55412650 AMVHNEOETBSLCG-UHFFFAOYSA-N 383.622 3.412 50 40 GGGB O=C(N1CCN(c2ccc(Cl)cn2)CC1)[C@]12CC[C@H](C[C@@H]1Br)C2 89794263 MHSGTMSVXJNQPU-IFIJOSMWSA-N 398.732 3.337 50 40 GGGB O=C(O)CCC/C=C/C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1CNNC(=O)Nc1ccccc1 253898250 RJNDVCNWVBWHLY-WOOWRAPPSA-N 387.480 3.308 50 40 GGGB in-vitro N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@@H]1c1c(Cl)cccc1Cl 5567564 YESCWRGGARKRCU-PLMOITTCSA-N 377.153 3.265 50 40 GGGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(I)o1 16682045 AUZBYIPVWSFWLC-UTCJRWHESA-N 395.978 3.117 50 40 GGGB CCCc1n[nH]c2c1[C@@H](c1cccc(OC(=O)c3ccco3)c1)C(C#N)=C(N)O2 4003666 VYTZKXGARZUKOY-KRWDZBQOSA-N 390.399 3.393 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C\N2CCN(c3cccc(C)c3C)CC2)cc1 32021065 HUTNASKPVPZZBK-MNDPQUGUSA-N 390.487 3.480 50 40 GGGB CN1c2ccccc2C2=C([C@@H](c3ccccc3Cl)C(C#N)=C(N)O2)S1(=O)=O 20558339 LIUJINGOLYIELE-INIZCTEOSA-N 399.859 3.296 50 40 GGGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 2218507 WAGLCMXHFHQNRR-SFHVURJKSA-N 377.375 3.155 50 40 GGGB O=C(O)c1ccccc1-c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)o1 409084643 PVQCDRXZHVVBHD-KEBDBYFISA-N 395.327 3.023 50 40 GGGB COc1ccccc1NCC(=O)NNC(=O)c1ccccc1Oc1ccccc1 12534572 BSQKLKQJJHLIPF-UHFFFAOYSA-N 391.427 3.361 50 40 GGGB CCOC(=O)/C(C#N)=C(/O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 102043025 HHYKIJAMJCEIST-WUKNDPDISA-N 381.344 3.203 50 40 GGGB CC(C)(C)c1ccc(C(=O)NNC(=O)CCCn2c(=O)oc3ccccc32)cc1 6785695 SNACANYFEZSJJI-UHFFFAOYSA-N 395.459 3.133 50 40 GGGB Cc1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1C 8327985 NWBFBFZCOGIWED-UHFFFAOYSA-N 378.428 3.062 50 40 GGGB C[C@@H](Oc1ccc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)cc1)C(=O)O 408853384 RVANPMBIFAJONC-RMJYUUNHSA-N 394.349 3.250 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)c2ccccc2)cc1 6252005 RQVWCAYEXOAWOQ-LPYMAVHISA-N 375.384 3.114 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)c1nc2ccccn2c1C 9097192 NKLINZSTDZQBNF-VXLYETTFSA-N 387.237 3.178 50 40 GGGB O=C(N/N=C1/C[C@@H]2CC=C[C@H]12)c1ccc(NS(=O)(=O)c2cccs2)cc1 33663557 FOURUXXKOVJJRM-RPIVUQGMSA-N 387.486 3.231 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 1301258 HSFVCGWEJCFVTK-GOSISDBHSA-N 376.372 3.200 50 40 GGGB Cc1ccc(CNC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 58210933 VYPQDOFVPOLBTK-UHFFFAOYSA-N 382.247 3.211 50 40 GGGB O=C(Cc1ccccc1)NNC(=O)c1ccccc1OCCOc1ccccc1 8158344 MOEPXXSTIVWJMQ-UHFFFAOYSA-N 390.439 3.148 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccc(F)cc1 16745512 XWZCKLABESYWPR-HGBKYHTQSA-N 395.459 3.306 50 40 GGGB CC(C)CCOc1ccc(CN2C(=O)/C(=N\NC(N)=O)c3ccccc32)cc1 46085041 ZNPSBOUQHNRKKI-NMWGTECJSA-N 380.448 3.031 50 40 GGGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 33644603 PYLDQUWPVUPSHS-ZROIWOOFSA-N 383.473 3.386 50 40 GGGB CCN(CC)c1ccc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc1 408973982 SPAHTAADUGNDSL-AUEPDCJTSA-N 382.493 3.192 50 40 GGGB COCCOC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(C(=O)O)cc1 408960598 NDLIYRBYSGLMPM-LDADJPATSA-N 381.384 3.060 50 40 GGGB COc1ccc(CC(=O)N/N=C/c2ccc(OC)c(Br)c2)cc1 408724313 AUUJSOLQSOGMKF-YBFXNURJSA-N 377.238 3.159 50 40 GGGB O=C(CCl)N(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 40177612 LZVCMHHRUQFWOQ-OAHLLOKOSA-N 379.865 3.238 50 40 GGGB CC(C)OC(=O)NN(C(=O)OC(C)C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 601014286 CZJPXJZGUUZMLY-KBPBESRZSA-N 387.477 3.329 50 40 GGGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1nc2ccccc2[nH]1 208680100 FQLSFZUUZWAKEL-PTNGSMBKSA-N 375.388 3.372 50 40 GGGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(F)cc1 59101621 LNZWWJLEMMLRGZ-ZVHZXABRSA-N 391.402 3.494 50 40 GGGB CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(CC)cc2)nc2ccccn2c1=O 2407160 ARMNPGFDQHDQME-DTQAZKPQSA-N 388.427 3.092 50 40 GGGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(Cl)cc2)c1 4036614 GKKAEKKRJNFTBX-UHFFFAOYSA-N 390.867 3.377 50 40 GGGB CCCCNC(=O)/C(C#N)=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1 6672621 WBHZTQFVBDOZFT-CCEZHUSRSA-N 380.414 3.151 50 40 GGGB CCOc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1 7404806 OBOIMIQFMRGZMJ-UHFFFAOYSA-N 394.518 3.039 50 40 GGGB Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)c(C)o1 40115858 BSBBTSZMIVCPFK-CQSZACIVSA-N 398.488 3.184 50 40 GGGB C/C(=N\NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 585085498 HIHGJYCVNLZTJR-WOJGMQOQSA-N 376.210 3.440 50 40 GGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)cc2)cc1 704620 UNJDOLRHNLYAOK-OEAKJJBVSA-N 389.411 3.417 50 40 GGGB N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 4623644 LJXOMIDFXXXSCU-HSZRJFAPSA-N 382.423 3.098 50 40 GGGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccco2)cc1)c1ccccc1 5205637 APVYAEHGVYGAKL-KGENOOAVSA-N 397.456 3.010 50 40 GGGB CN(C(=O)c1cccs1)c1ccccc1C(=O)NNC(=O)c1ccccc1 25683414 IQIIVKKQGHEUOZ-UHFFFAOYSA-N 379.441 3.100 50 40 GGGB O=C(NNc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12)c1c[nH]c2ccccc12 27827883 LVUAENSIWSYMOK-UHFFFAOYSA-N 392.331 3.289 50 40 GGGB CC(C)[C@@H](Br)C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408534951 RUMBUBVXFYWIDE-CQSZACIVSA-N 381.274 3.227 50 40 GGGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(O)c3)c2C)cc1 408740345 BFORWWPOFLRHMG-YDZHTSKRSA-N 391.427 3.350 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1C 408934784 MMARFKRNPONAJQ-ZMOGYAJESA-N 390.443 3.355 50 40 GGGB COC(=O)COc1cccc(/C=N/NC(=O)CCSc2ccc(C)cc2)c1 409129361 RTRJWZCHYHCEET-FYJGNVAPSA-N 386.473 3.179 50 40 GGGB Cc1ccc(C)c(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)c1 636411 LHVHZUBYRRRHIE-UHFFFAOYSA-N 379.526 3.286 50 40 GGGB CC(C)(C)[C@H]1CCc2sc(C(=O)NN=C3CCN(C(N)=O)CC3)cc2C1 54281213 UTYLABWMSVZJHJ-ZDUSSCGKSA-N 376.526 3.159 50 40 GGGB CC(C)(C)[C@@H]1CCc2sc(C(=O)NN=C3CCN(C(N)=O)CC3)cc2C1 54281212 UTYLABWMSVZJHJ-CYBMUJFWSA-N 376.526 3.159 50 40 GGGB N#CC1=C2N3CCCCCC3=NN2C(=O)N[C@@]1(c1ccccc1)C(F)(F)F 4932584 CFLCOOWVYUHXCL-QGZVFWFLSA-N 375.354 3.408 50 40 GGGB ClCCN(CCCl)c1ccc(/C=N\Nc2ncnc3[nH]cnc23)cc1 104334216 YFRKSLCNXXIEFE-AQHIEDMUSA-N 378.267 3.083 50 40 GGGB CC1(CC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)OCCO1 1101534 FCQNBEFBPGQNFQ-OEAKJJBVSA-N 377.444 3.293 50 40 GGGB CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)c2ccccc21 1423071 LEDBAIHPHHUSCR-DEOSSOPVSA-N 396.450 3.122 50 40 GGGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c1 2053998 KMQNVARSXXYQCY-OEAKJJBVSA-N 390.443 3.192 50 40 GGGB C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)c1ccc2ccccc2n1 10671579 MYZKAHQSJLFPQC-LBPRGKRZSA-N 391.456 3.106 50 40 GGGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccnc2)N2NC=C(C#N)C2=N1 8993633 ITDOHSNCASWKIH-GOSISDBHSA-N 390.834 3.329 50 40 GGGB Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(c3ccc(F)cc3)CC2)cc1 5489045 VDPUBXUSFFVKBS-HMMYKYKNSA-N 385.464 3.095 50 40 GGGB CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 7379707 HYEVFZGLQLXVEC-LBPRGKRZSA-N 378.519 3.374 50 40 GGGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2=O)cc1 408615806 SJYYSAVHQVRUJX-QGZVFWFLSA-N 393.487 3.107 50 40 GGGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1 6338461 UGURCUKSYPYMRP-OEAKJJBVSA-N 389.411 3.043 50 40 GGGB COC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1 100284523 NCXDIASQWHMJBL-UKWGHVSLSA-N 381.215 3.309 50 40 GGGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1cc(Cl)ccc1O 100923104 OKCWODRCHWTNGT-KEBDBYFISA-N 390.783 3.088 50 40 GGGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)C2CCCCC2)c([N+](=O)[O-])c1 100522846 ZBGLVUQTEVSMCL-UDWIEESQSA-N 376.413 3.004 50 40 GGGB COc1c(O)ccc(/C=N/NC(=O)CNc2cccc3ccccc23)c1[N+](=O)[O-] 4561557 GZCGTVUQVUEGGM-SSDVNMTOSA-N 394.387 3.024 50 40 GGGB Cc1cc(I)cc(/C=N\NC(=O)c2ccc(F)cc2)c1O 4814031 VDXYUYAQEIHKEC-LSCVHKIXSA-N 398.175 3.208 50 40 GGGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 408786532 SDNGAFZYRZYPSH-FYJGNVAPSA-N 387.505 3.035 50 40 GGGB N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)NC1CCCC1 409191615 JGMJWMALTBTIOV-YHYXMXQVSA-N 380.198 3.029 50 40 GGGB O=C(N/N=C\c1ccccc1Cl)C(=O)Nc1cccc(Br)c1 4611336 UXLRHQMLUOLWAZ-NVMNQCDNSA-N 380.629 3.191 50 40 GGGB Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c(Cl)c1 6501646 LOFVPXWPIALXKX-UHFFFAOYSA-N 382.272 3.251 50 40 GGGB COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OCc1ccccc1 830840 BMJOOCYFYHMZLV-NMWDDECMSA-N 390.439 3.458 50 40 GGGB O=C(COc1cccc(Br)c1)N/N=C/C=C/c1ccc([N+](=O)[O-])o1 3136486 KISLOFWXAXWELM-WZOWZRRTSA-N 394.181 3.145 50 40 GGGB O=C(N/N=C(\c1ccccc1)c1ccncc1)NC(=O)c1c(F)cccc1F 4667623 FTJVJCZHRDJWET-XIEYBQDHSA-N 380.354 3.252 50 40 GGGB CC[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O 11027229 RILKQBAOQOJBFI-JQSQVVPISA-N 385.420 3.329 50 40 GGGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc([N+](=O)[O-])c1O 36162602 FXMLFGJGTUCZII-SSDVNMTOSA-N 394.387 3.024 50 40 GGGB COc1cccc2cc(C(=O)NNC(=S)NCCCc3ccccc3)oc12 408588696 XWRDBHVUVBLSEP-UHFFFAOYSA-N 383.473 3.183 50 40 GGGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(I)o1 408795414 CCJXBUMOIDHOLI-JPZMSJPLSA-N 384.217 3.486 50 40 GGGB COc1ccc(-c2nnc(SCC(=O)/C(C#N)=C(/C)N)n2CC(C)C)cc1 104709642 UHBMMWMERSJSFH-SSZFMOIBSA-N 385.493 3.027 50 40 GGGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1[N+](=O)[O-] 408999592 LUDQFKFWLGZWKX-DEDYPNTBSA-N 397.391 3.257 50 40 GGGB Cc1nc(=N)c(CBr)cn1CC(=O)c1ccc(Br)cc1 20427043 ARAHIJHKUQDEEG-UHFFFAOYSA-N 399.086 3.211 50 40 GGGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)c2ccccc12 35685475 FANCNEJUEDMVPR-UHFFFAOYSA-N 390.848 3.125 50 40 GGGB N#CC(C(=O)CSc1nnc2[nH]c3ccccc3n12)=C1Nc2ccccc2N1 3355384 LYCICPCPZMYDNQ-UHFFFAOYSA-N 387.428 3.145 50 40 GGGB COc1ccc(NCC(=O)N/N=C(\C)c2ccc(Br)cc2)cc1 4534432 UGYSOFMQLLAFJH-UDWIEESQSA-N 376.254 3.410 50 40 GGGB Cn1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1ccccc1 5603444 XRCLIQJGTOKVBO-WSDLNYQXSA-N 390.472 3.206 50 40 GGGB O=C(N/N=C/c1cccs1)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444728 BOWJRMRFJPMOIA-FYJGNVAPSA-N 379.441 3.416 50 40 GGGB OC[C@H](Cl)COc1ccc(Cc2ccc(OC[C@H](Cl)CO)cc2)cc1 77273634 VAFXFEBPCUMOIF-CALCHBBNSA-N 385.287 3.234 50 40 GGGB in-vitro COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2OC)cc1 223174625 QUWZIYRDIRJYQG-PTNGSMBKSA-N 396.399 3.045 50 40 GGGB N#C/C(=C\c1ccccc1)C(=O)Oc1ccccc1C(=S)N1CCOCC1 408755222 ZPQNHQALNFTOKV-SAPNQHFASA-N 378.453 3.207 50 40 GGGB C[C@H](Sc1ccccn1)C(=O)N/N=C/c1cc(Br)ccc1O 1099838 MDDNHRYYBSMFMS-NTOSSWPYSA-N 380.267 3.181 50 40 GGGB CCOC(=O)[C@](NC(=O)CCl)(Nc1ccc(C(C)C)cc1)C(F)(F)F 3103186 KNIUZVAPKIMCPI-OAHLLOKOSA-N 380.794 3.399 50 40 GGGB COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1 3335128 ZKHBCURCPLVFIE-ZMOGYAJESA-N 389.411 3.211 50 40 GGGB C/C(CC(=O)Nc1ccc(C)c(C)c1)=N\NC(=O)C(=O)Nc1cccc(C)c1 4690710 CLUVVPFYHYHZOK-LFVJCYFKSA-N 380.448 3.071 50 40 GGGB C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cccc(Cl)c3)cc2C1 7403180 IOJVNRGPTXQETJ-JTQLQIEISA-N 384.910 3.150 50 40 GGGB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(O)cc1 8563041 DLTHCPOQYHZZFV-HNNXBMFYSA-N 376.412 3.288 50 40 GGGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)c1 409018579 HTPWTHRHBOEKAS-GRRFOWRYSA-N 396.399 3.101 50 40 GGGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(O)cc3O)cc2)c1 5942912 POMAVDXRMZWOBG-YDZHTSKRSA-N 389.411 3.422 50 40 GGGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c2ccccc21 13402638 PTDDNPSQUQIRHY-UVTDQMKNSA-N 377.375 3.499 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(OC)c1OC 2742984 DTCHYETZFZPDKN-HYARGMPZSA-N 379.416 3.267 50 40 GGGB CCO[C@H]1CC([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)=CC=C1OC(C)C 803730 UNUOINQMIIXTBI-WMZOPIPTSA-N 384.432 3.162 50 40 GGGB CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1cccc2nccnc12 2263580 STJDXGTVLQAZGC-ZVHZXABRSA-N 385.468 3.165 50 40 GGGB C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1cccc(Br)c1 5788306 KZFKBEDSXGOSCH-DJKKODMXSA-N 389.175 3.205 50 40 GGGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(Cl)cc1 6189338 WLGGUPDAEYQZAG-AQTBWJFISA-N 381.863 3.400 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1O 6685674 ASKMREZZSMCGMU-KEBDBYFISA-N 378.812 3.225 50 40 GGGB COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1 9109998 QTUAUNVUVCABIP-ROUUACIJSA-N 378.453 3.358 50 40 GGGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(CN2CCOCC2)cc1 58915966 SVSZGZYBCJMKKW-WSDLNYQXSA-N 375.831 3.075 50 40 GGGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)c1 408588217 IJVZJFQCCBCSOC-YDZHTSKRSA-N 376.416 3.040 50 40 GGGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1 408840196 YJDOOSXJAXHJMH-LFIBNONCSA-N 399.450 3.342 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)CNc2ccccc2)cc1Br 409387089 NPGRNONHPGKZAZ-RGVLZGJSSA-N 375.270 3.077 50 40 GGGB COCC(=O)N/N=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)o1 1425097 OGLFPBGETYDXHY-SRZZPIQSSA-N 397.456 3.260 50 40 GGGB C/C(=N\NC(=O)c1ccncc1)c1cc2cc(Br)ccc2oc1=O 4772740 RVMINGUHLCLGPN-KEBDBYFISA-N 386.205 3.105 50 40 GGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=C2CCCC2)c1 5163410 NEDBYFUJQYPBCT-UHFFFAOYSA-N 387.461 3.156 50 40 GGGB COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2nccs2)cc1OC 17077931 HQNIMUHLHIFOAM-KPKJPENVSA-N 381.417 3.096 50 40 GGGB COc1ccc(NCC(=O)NNC(=O)c2ccc(SC(F)(F)F)cc2)cc1 24929189 OEWRVGIDGBGICK-UHFFFAOYSA-N 399.394 3.180 50 40 GGGB C/C(N)=C(\C#N)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 104668303 LTZDOVWWBKCKDJ-VKAVYKQESA-N 390.468 3.112 50 40 GGGB Cc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1 408970276 FCRFMVVANFCWRD-LSCMLXDISA-N 395.503 3.363 50 40 GGGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1O[C@@H](C)C(=O)O 409228195 VRUGNPNPGGCAGN-HNDQUVLASA-N 380.400 3.401 50 40 GGGB Cc1ccc(OCCOc2ccc(Br)cc2/C=N/NC(N)=O)cc1 2948116 AFFRHLLGVJIPCO-RGVLZGJSSA-N 392.253 3.218 50 40 GGGB O=C(COc1ccccc1F)NNC(=O)C(c1ccccc1)c1ccccc1 7593749 LGCZEGKIPCFSSA-UHFFFAOYSA-N 378.403 3.184 50 40 GGGB CC(C)(C)c1ccc(/C=C2/SC(=O)N(CCNC(=O)CCl)C2=O)cc1 3299701 JLYVXFMTJOSSSM-GXDHUFHOSA-N 380.897 3.375 50 40 GGGB Cc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(C)c1O 106272854 CMNBFQSNVODDMY-GIJQJNRQSA-N 394.212 3.378 50 40 GGGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCOc3cc(C)ccc3C)ccc21 2617640 XQNMHPYPHPYXFH-UHFFFAOYSA-N 394.475 3.212 50 40 GGGB CC[C@@H](N)C(=O)N/N=c1\cc(C)c2cc3c(cc2o1)OC1(CCCCC1)CC3 9531049 VCHYMJXZPXWPKZ-OCLJWFPGSA-N 383.492 3.438 50 40 GGGB CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1 409006220 IBHUKNDRXOKOSG-BOPFTXTBSA-N 394.427 3.491 50 40 GGGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1O 409022017 CDKFWCAGPVOKQJ-UWVJOHFNSA-N 389.751 3.473 50 40 GGGB COc1cc(Cl)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 8336651 VPDUYSPODWNZPE-UFWORHAWSA-N 394.884 3.006 50 40 GGGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 6386889 ABKUIYHXEOPYDW-HYARGMPZSA-N 382.464 3.264 50 40 GGGB N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccccc1I 711273 NNQZYEUTGXCKJQ-HNNXBMFYSA-N 389.196 3.092 50 40 GGGB CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCNC(=O)CCl)C2=O)cc1 12504623 JLYVXFMTJOSSSM-UVTDQMKNSA-N 380.897 3.375 50 40 GGGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)N(C)C)cc1OCC 59334741 ZOXNMJSALGSPDG-JYRVWZFOSA-N 379.254 3.408 50 40 GGGB COc1ccc(OC)c(NC(=O)C(=O)NN=C2CCC(C(C)(C)C)CC2)c1 4699487 GVHCZLWEDUKGIU-UHFFFAOYSA-N 375.469 3.351 50 40 GGGB O=C(NNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)c1ccccc1 5616713 PILUQLJAHOWTIJ-UHFFFAOYSA-N 389.463 3.362 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCC3)c2C)cc1Cl 408971717 KHUYYXXICNRDBO-WSDLNYQXSA-N 386.883 3.128 50 40 GGGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1O[C@H](C)C(=O)O 409228196 VRUGNPNPGGCAGN-VQCBNXJZSA-N 380.400 3.401 50 40 GGGB O=C(N/N=C/c1c(-c2ccccc2)nc2sc(C3CC3)nn12)c1ccncc1 41074129 NKFSXUZCFCUBJT-WSDLNYQXSA-N 388.456 3.494 50 40 GGGB Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H]3CCC[C@@H](Cl)C3)CC2)c(C)c1 14186430 JBYIERLHIOIOEV-QZTJIDSGSA-N 384.973 3.468 50 40 GGGB C=CCN1C(=O)/C(=N\NC(=O)c2cccc(C)c2)c2cc(Br)ccc21 18188048 JNZSVSDIIAIHGP-FXBPSFAMSA-N 398.260 3.424 50 40 GGGB COc1ccc(CC(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1 1298199 UQSOLWJLEVGPHZ-UHFFFAOYSA-N 390.439 3.131 50 40 GGGB COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)c1 5130135 ZBSHTRXLQVMOAG-OAHLLOKOSA-N 380.429 3.374 50 40 GGGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccco2)cc1 5381910 GCBMPTCSJOWXJM-YDZHTSKRSA-N 391.383 3.415 50 40 GGGB O=C(NNS(=O)(=O)c1c(Cl)cccc1Cl)c1cc2c(s1)CCC2 16094913 HCWQPLUAHBVBDI-UHFFFAOYSA-N 391.301 3.167 50 40 GGGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 33653132 HFYAMKBGOYWABB-JCMHNJIXSA-N 391.431 3.144 50 40 GGGB Cc1ccc(O[C@H](C)C(=O)NNc2nc(C)cc(C)n2)c(Br)c1 40145245 VDSWOAPOCZHMNF-GFCCVEGCSA-N 379.258 3.075 50 40 GGGB COc1ccc(-n2cccc2/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 408951860 KIGRGCOUISJKOM-CIAFOILYSA-N 395.488 3.135 50 40 GGGB O=C(N/N=C/c1cccs1)C1CCN(C(=O)c2ccccc2Cl)CC1 409004470 DAQVJQFXSITCDQ-UDWIEESQSA-N 375.881 3.404 50 40 GGGB CCCOc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 409258897 YDCOVONWVQYHJF-PVFDWLMNSA-N 379.460 3.287 50 40 GGGB O=C(COc1ccccc1Cc1ccccc1)NNC(=O)c1ccccc1F 2638605 OCNBVCSWTFZLQJ-UHFFFAOYSA-N 378.403 3.257 50 40 GGGB CCc1c(C(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)csc1C 102257581 ZRMPTEDZFYNXCJ-KFZJALRRSA-N 390.505 3.073 50 40 GGGB COc1cc(CC(=O)NNc2cccc(Br)c2)cc(OC)c1OC 12816392 BGRXTBKLRICJEW-UHFFFAOYSA-N 395.253 3.161 50 40 GGGB Cc1c(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)sc(N)c1C#N 5171088 UPZOUOBDJDMMIJ-LSFURLLWSA-N 394.412 3.233 50 40 GGGB C/C(=N\NC(=O)c1ccccc1I)c1ccc(O)cc1 4548351 ATHISVIAMLFBQM-LICLKQGHSA-N 380.185 3.151 50 40 GGGB COc1ccc(C(=O)NNC(=O)c2sc(-c3ccccc3)cc2N)c(OC)c1 14231938 ZLTULTCUJCZRBA-UHFFFAOYSA-N 397.456 3.089 50 40 GGGB O=C(CCCC[C@@H]1CCSS1)N1CCN(CCc2ccccn2)CC1 96116412 PHHWWVPIPFCFBF-GOSISDBHSA-N 379.595 3.482 50 40 GGGB biogenic CCOc1ccccc1[C@@H]1C(C#N)=C(N)N(CCOC)C2=C1C(=O)CC(C)(C)C2 409129893 VJFCJKWMEIMPMM-HXUWFJFHSA-N 395.503 3.468 50 40 GGGB Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccco2)c1 409030881 IHUXSQACAWGOBX-VAWYXSNFSA-N 390.395 3.282 50 40 GGGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(C)c1 409238438 ABSSUIHCOIYTKA-AQTBWJFISA-N 377.444 3.386 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 1212737 VUKXBMBHHHCPNV-YDZHTSKRSA-N 377.400 3.369 50 40 GGGB CCOc1ccccc1OCC(=O)NNC(=O)Cc1ccc(Cl)cc1Cl 12788158 JGPCGYXXTPTUAX-UHFFFAOYSA-N 397.258 3.161 50 40 GGGB CCOc1ccccc1NC(=O)[C@H](NNC(=O)c1cccn1C)c1ccccc1 32814707 VTWYIPQSRVJZBI-HXUWFJFHSA-N 392.459 3.038 50 40 GGGB CCCN1C(=O)/C(=N/NC(=O)c2cccc(Br)c2)c2ccccc21 6879394 XHGTWASRKZZMBX-CAPFRKAQSA-N 386.249 3.340 50 40 GGGB CC(=O)Oc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 408754921 LUJVUBIWVSGYLJ-VXLYETTFSA-N 385.470 3.464 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc2c1OCO2 408953298 POOMFXOXJVLZRT-PXNMLYILSA-N 389.411 3.171 50 40 GGGB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2nccnc2c1 2378843 JSVHQUNQJRIFGM-FZJZADEZSA-N 385.468 3.019 50 40 GGGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(N2CCCC2=O)cc1 6052121 BLXUAILARRBMNO-UHFFFAOYSA-N 395.503 3.181 50 40 GGGB Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)c(C)c1 12754567 ONDMXEFWZGPEPA-ZDUSSCGKSA-N 391.265 3.294 50 40 GGGB Cc1ccccc1N1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=C(\C#N)C(N)=O 13635607 HDXRTBBINCBCIB-FABDANFUSA-N 381.432 3.046 50 40 GGGB OC[C@H](Cl)COc1ccc(Cc2ccc(OC[C@@H](Cl)CO)cc2)cc1 77273639 VAFXFEBPCUMOIF-IRXDYDNUSA-N 385.287 3.234 50 40 GGGB in-vitro COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br 408967280 PSOVENJHASTSFX-AWQFTUOYSA-N 376.185 3.232 50 40 GGGB COC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 409116768 MHZBPTMPHKLTSF-NGZBARDMSA-N 386.473 3.178 50 40 GGGB CCOC(=O)COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC 409202486 RBQFOSWELTVMRA-NHDPSOOVSA-N 390.823 3.054 50 40 GGGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 23055129 KQHISDZVKSENHC-DOMZBBRYSA-N 380.473 3.272 50 40 GGGB O=C(N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21)c1ccccc1 102434332 ASKZYPFZWRSVHZ-FLFQWRMESA-N 385.423 3.246 50 40 GGGB CCc1ccc(OCC(=O)NNC(=O)CCCc2nc3ccccc3s2)cc1 12784919 AARSUOVSCBTWER-UHFFFAOYSA-N 397.500 3.408 50 40 GGGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(O)cc2)cc1 6258459 NWJDQYZUACQKPN-YDZHTSKRSA-N 390.395 3.433 50 40 GGGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C 408589187 KVKKLXAMATYWLK-ZVHZXABRSA-N 390.443 3.430 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(C)cc1 16739387 UIVJCOOOGZTDRC-ODXGNSPJSA-N 391.496 3.476 50 40 GGGB C[C@@H](Oc1cccc2ccccc12)C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 17080528 OINBVGYTYAQWDU-CYBMUJFWSA-N 394.387 3.368 50 40 GGGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccccc1 408972218 NSFMTYYKYOTPLK-WQZUMXOESA-N 381.476 3.055 50 40 GGGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 409362239 IQCMZVUGRDOBGB-UDWIEESQSA-N 389.249 3.303 50 40 GGGB CCOC(=O)/C(C#N)=C1\SC[C@](O)(c2ccccc2)N1c1ccc(OC)cc1 16682027 TUFOXHYDVXMLHR-CILBIJLJSA-N 396.468 3.392 50 40 GGGB COc1ccc(O)c(/C(Cc2ccccc2)=N/NC(=O)c2ccccc2O)c1 6181638 YUQGJFRREVEFJR-FCDQGJHFSA-N 376.412 3.483 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)ccc1O 6189201 ZKKCFIBTHPKDSZ-WSDLNYQXSA-N 378.432 3.026 50 40 GGGB CC(C)Cn1nnnc1S[C@@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1 102210673 HCHNUASXYDYSLG-SPSOFYIISA-N 386.506 3.332 50 40 GGGB CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O 2404501 GMHHWPLGZDYEHA-FOWTUZBSSA-N 388.427 3.147 50 40 GGGB COc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Br 4524203 GZDSIDXHGVAXPK-VCHYOVAHSA-N 392.209 3.059 50 40 GGGB CO[C@H](C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)c1ccccc1 5328752 HRISPISYFDTLRX-RONKMWSCSA-N 390.281 3.353 50 40 GGGB C/C(=N\NC(=O)c1cc2c(s1)CCCCC2)c1ccc(OCC(N)=O)cc1 17078714 PGKFKUCJIZKWJR-LPYMAVHISA-N 385.489 3.035 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c1 33644394 QBGNIBHZIPIGGM-WSDLNYQXSA-N 394.383 3.426 50 40 GGGB COc1ccc(OC)c([C@H]2NC(=O)C(C#N)=C(S)N2c2cccc(C)c2)c1 818280 BKPPOVHKPXUVFA-SFHVURJKSA-N 381.457 3.312 50 40 GGGB C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])cs1 3089578 AGUYVVMKAGIBDP-UHDDOIDHSA-N 398.238 3.336 50 40 GGGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)OCO2 4480975 UZQVNUQKFRFJTB-JMIUGGIZSA-N 379.328 3.347 50 40 GGGB CN(C)c1cccc(C(=O)N/N=C/c2cccn2-c2ccc(C(=O)O)cc2)c1 4747615 DBBMUAUTAMYCDT-HYARGMPZSA-N 376.416 3.005 50 40 GGGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccco2)cc1 6334186 LTCXRDNLIFFEOZ-SRZZPIQSSA-N 377.356 3.025 50 40 GGGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1occc1COc1ccccc1 14371320 ZSCACEPEQZSXEN-CQSZACIVSA-N 398.390 3.226 50 40 GGGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)Cc1ccccc1 33044002 IDQJMWGVOKAXTD-JJIBRWJFSA-N 387.487 3.474 50 40 GGGB COc1ccnc(NNC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)n1 103124609 RTAQSWZEMYTXFL-VDQHWBOFSA-N 395.301 3.052 50 40 GGGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)NNC(=O)c2ccccc2)cc1 408847347 VEGWFQCWISDEHC-LFIBNONCSA-N 385.423 3.413 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc(OC)cc2)cc1OCC 408875504 GCZHNTCBAFOYOP-HYARGMPZSA-N 384.432 3.188 50 40 GGGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 59386470 AOGOLQHEPVRQET-GIJQJNRQSA-N 380.629 3.191 50 40 GGGB COC(=O)C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)c1ccccc1 96993364 YMGOKVMAWDPTFI-MTGKDYNDSA-N 377.444 3.080 50 40 GGGB CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)cc4)c32)c2ccccc21 4167002 WPIYLETYYKXXMB-QHCPKHFHSA-N 397.438 3.124 50 40 GGGB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccncc2)cc1 6049140 AIOVJQSOWHIVCK-SNDWWJHWSA-N 394.475 3.014 50 40 GGGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NN=C1CCCC1 408785784 BWAFWIYGOPHCJA-UHFFFAOYSA-N 389.452 3.067 50 40 GGGB C/C(N)=C(\C#N)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1C 5827492 TWNWSFGZBMCDOH-QBFSEMIESA-N 396.497 3.079 50 40 GGGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2C)c1 409075878 YVRNAVITYFLBKQ-AQTBWJFISA-N 377.444 3.386 50 40 GGGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cccc(F)c2)cc1 7727793 WYQWWRQWODZYJB-UHFFFAOYSA-N 390.461 3.486 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2ccc(I)o2)c(C)c1 1424023 ONFOHQMIGJFFQZ-CAOOACKPSA-N 398.200 3.030 50 40 GGGB COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 3034513 IKVAHCDPNAJABC-CIAFOILYSA-N 385.420 3.430 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1ccccc1F 5887232 MJUUOGAVVOJIDJ-HNNXBMFYSA-N 377.335 3.342 50 40 GGGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 8197644 KJIIGTGCEUXAAM-GRRFOWRYSA-N 378.856 3.292 50 40 GGGB COc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1cccs1 30803135 XUGDXQMCAUOSGG-JJFYIABZSA-N 395.440 3.443 50 40 GGGB I[C@@H]1[C@H]2[C@@H]3C[C@@H]1[C@H]1C[C@H]3[C@@H](I)[C@@H]21 105027372 KYMLEMSCKGSBAT-JEWKEJBZSA-N 386.014 3.125 50 40 GGGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccccc3)o2)c1 408532290 QENBQIHETLTTNV-LPYMAVHISA-N 378.384 3.262 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 408881453 LEKGURIIUYASDE-MDWZMJQESA-N 383.360 3.166 50 40 GGGB C=CC(=O)Nc1ccc(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 1538741324 NTYZAFNBLCNLIQ-GFCCVEGCSA-N 383.473 3.072 50 40 GGGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3Cl)CC2=O)cc1 6962994 XBQVSDZXEXMDTD-OOXYOOLHSA-N 385.851 3.242 50 40 GGGB C[C@@H](Oc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1)C(=O)O 2332626 KISOJBQQURWQLR-QKIXXSFTSA-N 376.412 3.385 50 40 GGGB O=C1C=C(NNC(=O)c2cccc(Br)c2)C[C@H](c2ccco2)C1 408751474 PGPPKOXGYMKRLT-LBPRGKRZSA-N 375.222 3.307 50 40 GGGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c(F)c2)c1 66255726 JIFFQCAVZZWGDQ-WJDWOHSUSA-N 381.407 3.217 50 40 GGGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 825385 LMFWMACIDXEMTK-LFIBNONCSA-N 385.423 3.413 50 40 GGGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3Cl)[C@H]2C1 5445308 YOLRNVSNNJRUDP-GOEBONIOSA-N 384.270 3.349 50 40 GGGB Cc1nc2nc3c(c4c(C#N)c(N5CCCCC5)nc([nH]1)c24)C[C@@H](CCl)O3 2651927 JJNNOWABKLRGMQ-NSHDSACASA-N 382.855 3.219 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)CNc1ccccc1OC 993720 WHOWTQXTAVRSDP-KEBDBYFISA-N 392.253 3.029 50 40 GGGB CCOc1cccc(NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C)c1 8733202 WOKVRYCGLFAIDB-HNNXBMFYSA-N 385.302 3.340 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(C)cc1 35110149 ZTKJPVFUTMAASQ-HGBKYHTQSA-N 377.469 3.167 50 40 GGGB CCOc1ccc2oc(C(=O)N/N=C\c3cc([N+](=O)[O-])cc(OC)c3O)cc2c1 409187298 OQFGQFXYAVTUQU-JMIUGGIZSA-N 399.359 3.218 50 40 GGGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC 408803667 RTYNAZQIDAUXAM-XNTDXEJSSA-N 398.390 3.322 50 40 GGGB C/C(N)=C(\C#N)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 104670460 ZYYXHALDGVBERK-PEZBUJJGSA-N 390.468 3.112 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(OC)c1 5381439 QQTWVIHXELGJOR-ZVHZXABRSA-N 391.427 3.336 50 40 GGGB Cc1ccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)o1 6471535 LBVZOWUTCUTSQN-WOJGMQOQSA-N 389.458 3.214 50 40 GGGB CSc1ccc(/C=N/NC(=O)[C@H](NC(=O)Cc2cccs2)C(C)C)cc1 33347460 VDLOQANVIVXJDD-BAOGCXAUSA-N 389.546 3.304 50 40 GGGB C[C@@H](Sc1ccccn1)C(=O)N/N=C/c1cc(Br)ccc1O 1099840 MDDNHRYYBSMFMS-SVXRXWARSA-N 380.267 3.181 50 40 GGGB COc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2cccc(C)c2)cc1OC 818279 HARPWZCIJWXLET-GOSISDBHSA-N 381.457 3.312 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)CN(Cc1ccccc1)C(C)C 11036730 UKDZLTZNXWVFKJ-UHFFFAOYSA-N 389.883 3.020 50 40 GGGB O=C(NNC(=S)NCCCc1ccccc1)c1ccc(-n2cccc2)cc1 408585046 BBJWNNXYYXTCQL-UHFFFAOYSA-N 378.501 3.219 50 40 GGGB O=C(N/N=C\c1ccc(N2CCOCC2)o1)Nc1cccc(Br)c1 409012277 QABYBLUBDKZCFH-WQRHYEAKSA-N 393.241 3.034 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1OC(C)=O 867456 CZNBALDIRPCJNA-NTUHNPAUSA-N 399.334 3.213 50 40 GGGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1ccc(Cl)cc1 1436590 LZDAVHGNFLSBRQ-UHFFFAOYSA-N 385.917 3.323 50 40 GGGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cccc(Br)c1 1479724 ZVJNKGZKEBPVLU-UHFFFAOYSA-N 397.656 3.251 50 40 GGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(SC)cc1 4502836 FUCUSQHBDNLAMC-OAHLLOKOSA-N 386.502 3.356 50 40 GGGB O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1cccnc1 3193336 WEVAQUFITMRIKZ-SNFOECCCSA-N 388.471 3.261 50 40 GGGB CCCN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C[C@H](C)CC=C1C(C#N)=C(N)C2(C#N)C#N 36046622 JWLAABFKBCATAV-ZCLJVBCSSA-N 397.482 3.437 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OCc1ccccc1 408765615 MQBXIBBOXAGWNF-XSFVSMFZSA-N 392.455 3.430 50 40 GGGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1cccc2ccccc12 409173962 QHFSSVVKPGDSDA-HZHRSRAPSA-N 387.395 3.453 50 40 GGGB NNC(=O)CCCCCCCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 255189182 OGFRJZSFHWSPHK-UHFFFAOYSA-N 381.433 3.416 50 40 GGGB O=C(COc1ccc2ccccc2c1)N/N=C1\C(=O)Nc2ccc(Cl)cc21 5093807 LMSDCDHKKRIDCN-UHFFFAOYSA-N 379.803 3.345 50 40 GGGB CC(=O)Nc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 1698001 HASCOPFGWGVVTR-LFVJCYFKSA-N 387.439 3.031 50 40 GGGB COc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 832007 KNWNNWPOABYBOY-JTQLQIEISA-N 383.231 3.231 50 40 GGGB COc1ccc(C(O)(C(=O)NN(C)c2ccccc2)c2ccc(OC)cc2)cc1 1248488 ZUSFYADRWFHCQC-UHFFFAOYSA-N 392.455 3.107 50 40 GGGB C[C@H](C(=O)N/N=C/c1cccs1)n1cnc2sc3c(c2c1=O)CCCC3 1783755 YZMRWRHOLKEPBW-GXBAXFRPSA-N 386.502 3.110 50 40 GGGB CC(=O)Nc1ccc(NC(=O)C/C(C)=N\NC(=O)c2ccccc2Cl)cc1 4199167 XRTLZGFVAAJZON-FMCGGJTJSA-N 386.839 3.433 50 40 GGGB COc1ccccc1NC(=S)N/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 5553271 KDMURHGIEJOFEA-NTCAYCPXSA-N 387.486 3.129 50 40 GGGB C#CCOc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1OC 8812813 QXCGKUFSIOAKIL-UDWIEESQSA-N 387.233 3.234 50 40 GGGB N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1 408543213 NRDQIQDDLGHOOI-SDQBBNPISA-N 387.189 3.399 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccccc1C#N 408741495 MHOAGQGYGXASFF-DHRITJCHSA-N 386.411 3.305 50 40 GGGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc21 408819735 ROPDXHXUYGLAMI-LFIBNONCSA-N 391.427 3.329 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 409006433 NVUNFUPUDCDXOR-JJIBRWJFSA-N 391.471 3.254 50 40 GGGB N#C/C(=C\c1cc(Cl)ccc1OCC(N)=O)C(=O)Nc1cccc(Cl)c1 409218656 JLNWGJTWKXZODN-WUXMJOGZSA-N 390.226 3.403 50 40 GGGB COc1ccc(CCNC[C@H](O)COc2ccc(/C(C)=C\C#N)cc2)cc1OC 1846182 BMAJJBHGPUHERB-PSXSOWLISA-N 396.487 3.203 50 40 GGGB in-man COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21 703630 ZSDNWRNOGYXOAB-ZDUSSCGKSA-N 379.199 3.482 50 40 GGGB O=C1Nc2ccccc2/C1=N\NC(=O)c1cc2cc(Br)ccc2o1 6536104 VQZPSDLTAHOVBL-UHFFFAOYSA-N 384.189 3.282 50 40 GGGB COc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1cc(Cl)ccc1O 100923096 NFUWCMGSPINKEN-SRZZPIQSSA-N 375.812 3.189 50 40 GGGB COc1cc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc(OC)c1OC 3284049 FENMHERDHCVOSW-LSHDLFTRSA-N 382.338 3.495 50 40 GGGB C/C(CC(=O)Nc1ccc2ccccc2c1)=N\NC(=O)c1ccc(O)c(O)c1 100510186 HIANALPANJMDTK-YDZHTSKRSA-N 377.400 3.386 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)c(C)n1-c1ccc(Cl)cc1 2173227 OYQMERVNOYRWMZ-WSDLNYQXSA-N 386.883 3.256 50 40 GGGB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(O)cc1 8563043 DLTHCPOQYHZZFV-OAHLLOKOSA-N 376.412 3.288 50 40 GGGB CN1c2ccccc2C2=C([C@@H](c3cccc(Cl)c3)C(C#N)=C(N)O2)S1(=O)=O 20558342 NIFDNDHNHHSHGK-INIZCTEOSA-N 399.859 3.296 50 40 GGGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(N(CC)CC)cc2)cc1 33789734 QQSIVEBTOVQSJD-JCMHNJIXSA-N 382.464 3.020 50 40 GGGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 3241124 PUBQBHSROKOUKT-VGOFMYFVSA-N 396.786 3.004 50 40 GGGB CCCCCCn1c(O)c(C(=O)N/N=C/c2cccnc2)c(=O)c2ccccc21 2290325 LHTCWLMQVIYLPC-BUVRLJJBSA-N 392.459 3.446 50 40 GGGB Cn1cc(/C=N/NC(=O)[C@@]2(C)CC[C@H](c3nc4ccccc4[nH]3)C2(C)C)cn1 6393369 YGSGGFXCWOMNJM-LDPSRVMNSA-N 378.480 3.357 50 40 GGGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccn3)c2C)cc1 408743391 SOCPHLAEMWZPLH-YDZHTSKRSA-N 376.416 3.040 50 40 GGGB COc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1Br 409364060 WEBUYAPBSXEVGB-AWQFTUOYSA-N 380.217 3.159 50 40 GGGB N#Cc1ccc(OCC(=O)N/N=C/c2c[nH]c3ccc(Br)cc23)cc1 3306917 KJNJEGGWOPXOMM-LSHDLFTRSA-N 397.232 3.331 50 40 GGGB COc1cc(/C=C/C(=O)NN)ccc1OCc1cccc(Br)c1 226336904 JJDGDHXQZJTYHG-SOFGYWHQSA-N 377.238 3.040 50 40 GGGB COc1ccc(OCC(=O)N/N=C/c2ccc(C)cc2)c(Br)c1 1435036 FFKIUVPTEUBHIZ-VXLYETTFSA-N 377.238 3.295 50 40 GGGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OC 2051449 OAWDAHOPAAZWOI-SFHVURJKSA-N 382.416 3.354 50 40 GGGB CC(C)COC(=O)N1C[C@@H](O)C[C@H]1C(=O)NN(c1ccccc1)c1ccccc1 408997305 DYRVSPNQEZKKOH-PMACEKPBSA-N 397.475 3.084 50 40 GGGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccn1-c1ccc(O)cc1 409022075 DQWQDXPGQHETKP-UDWIEESQSA-N 396.428 3.334 50 40 GGGB Cc1ccc(NC(=O)C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 5951059 ZNZOQLIYCWQVNM-UHFFFAOYSA-N 395.246 3.402 50 40 GGGB COc1ccc(/C=N\NC(=O)c2c(C)n(C)c3ccc(OC)cc23)c(OC)c1 15985564 DGLVTUGQEWGHDY-UUYOSTAYSA-N 381.432 3.276 50 40 GGGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)N1CCOCC1 26966338 SYWQWLQEWVYIAK-XDJHFCHBSA-N 384.439 3.305 50 40 GGGB O=C(NCCc1cn2ccccc2n1)NNc1ccc(OC(F)(F)F)cc1 45424645 QNAOETJPQFHKRT-UHFFFAOYSA-N 379.342 3.102 50 40 GGGB Cc1sc2ncn(CC(=O)N/N=C/c3ccco3)c(=O)c2c1-c1ccccc1 1783918 FILAWTUJBSHJLM-LSHDLFTRSA-N 392.440 3.177 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)COc2cccc(Br)c2)cc1 3099095 SSOLBBMTRCFRTM-YBFXNURJSA-N 376.254 3.044 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1O 4501728 WPVBEGJCXOUAOI-ZVBGSRNCSA-N 397.309 3.021 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1C 5047212 HCUCPHKWTNWBEM-UFWORHAWSA-N 377.784 3.100 50 40 GGGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)c(O)c1 5072714 LVWKYMMFQDQKMK-UDWIEESQSA-N 383.477 3.454 50 40 GGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OC)cc1 7164922 DDMAMSWEYXWBOC-LFIBNONCSA-N 380.400 3.426 50 40 GGGB COc1ccc(C(=O)NNC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1 12614604 AGEMGHPMYFQYFX-UHFFFAOYSA-N 395.484 3.439 50 40 GGGB C/C(CC(=O)Nc1cccnc1)=N\NC(=O)COc1ccc2ccccc2c1 15162457 LDVBYSIEZUIULB-BUVRLJJBSA-N 376.416 3.135 50 40 GGGB COc1ccc(C(=O)NNC(=O)c2ccccc2-c2ccccc2)cc1OC 36742002 YDNWIVJJLIQORF-UHFFFAOYSA-N 376.412 3.446 50 40 GGGB Cc1cccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)c1 102657513 RKLHUCSSFDLVPD-WNAAXNPUSA-N 399.450 3.441 50 40 GGGB Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC2CC2)c1 408708220 OSILYVKYIVNVJA-SSDVNMTOSA-N 384.867 3.429 50 40 GGGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(OC)c(C)c2)C2=C1CC(C)(C)CC2=O 409135721 RXZRSVUSFXMMKR-HXUWFJFHSA-N 395.503 3.386 50 40 GGGB C=CCOc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 409265903 WTRXLDJTFHCYPQ-NLKUQUHMSA-N 377.444 3.063 50 40 GGGB CCn1c(SCC(=O)N/N=C(\C)c2ccncc2)nnc1-c1ccc(C)cc1 1302992 ZHJDPHWRMYAUDH-PXLXIMEGSA-N 394.504 3.301 50 40 GGGB C=CCn1c(O)c(C(=O)N/N=C/c2cccc(Cl)c2)c(=O)c2ccccc21 2290637 AWEGMVXIAOOABK-WSDLNYQXSA-N 381.819 3.310 50 40 GGGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccco3)cc2)cc1 3410947 BJXYFGMRFAXFGL-UHFFFAOYSA-N 380.400 3.332 50 40 GGGB COc1cc(/C=N/NC(=O)c2cc(-c3ccc(OC(C)C)cc3)n[nH]2)ccc1O 4678054 LEORWJNQSSRWGY-WSDLNYQXSA-N 394.431 3.342 50 40 GGGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccc(Cl)cc1 6224410 PSBCXNZKLFSJPQ-UHFFFAOYSA-N 378.613 3.189 50 40 GGGB CCCC[C@@H](C[C@H](O)COCC(C)C)C(=O)NNC(=S)Nc1ccccc1 8691025 CJRFZUOUSOMGQN-WMZOPIPTSA-N 395.569 3.234 50 40 GGGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(C(C)C)cc3)CC2)cc1 22033934 YJCUREKTYQPKMF-PCLIKHOPSA-N 392.547 3.386 50 40 GGGB Cc1scc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1-c1ccccc1 102206987 GAEZUJFCWZUVDB-USJZOSNVSA-N 398.484 3.231 50 40 GGGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)[nH]c2ccccc12 408915271 YXABILABBIXGHT-RXULLKCLSA-N 392.459 3.284 50 40 GGGB O=C(Oc1cccc(/C=N/NC(=O)c2cccs2)c1)c1ccc2c(c1)OCO2 989498 OGMUXWFQLWRRHJ-SRZZPIQSSA-N 394.408 3.460 50 40 GGGB CCCCOC(=O)[C@H](Br)[C@@H](Br)C(=O)OCCCC 1686291 WOHNIDNINFYOAI-NXEZZACHSA-N 388.096 3.200 50 40 GGGB COc1ccc(/C=C(/C#N)C(N)=O)cc1COc1c(F)c(F)c(F)c(F)c1F 2750078 PFJQVMQUISOVJM-WTKPLQERSA-N 398.287 3.362 50 40 GGGB O=C(/C=C/c1cccc2ccccc12)NNC(=O)CCC(=O)Nc1ccccc1 5900875 RNGFQSAJZOFCKX-BUHFOSPRSA-N 387.439 3.419 50 40 GGGB C#CCOc1c(/C=C(\C#N)C(=O)N[C@H](C)CC)cc(Br)cc1OC 408806958 BQSZBSBRCWGOQO-ZBQKXELDSA-N 391.265 3.291 50 40 GGGB COc1cc(C=C(C#N)C#N)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 4833218 WFEVFUFZDRNZNY-UHFFFAOYSA-N 378.344 3.051 50 40 GGGB O=C(Cc1ccccc1)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 102434007 MWMAGFJCIBARKE-RWEWTDSWSA-N 399.450 3.175 50 40 GGGB N#CC(C(=O)COC(=O)c1ccc(Br)cc1)=C1Nc2ccccc2N1 3271619 ZXDFKYCIHLHORL-UHFFFAOYSA-N 398.216 3.448 50 40 GGGB COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)c1 5130262 NXEXNNBEGKSHDT-KRWDZBQOSA-N 392.390 3.451 50 40 GGGB CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2ccccn2c1=O 5575235 OYNQJGFCBVHBDV-FOWTUZBSSA-N 388.427 3.147 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cccn2-c2cccc([N+](=O)[O-])c2)c(OC)c1 705293 PYYUVFSFPYQQFT-FYJGNVAPSA-N 394.387 3.167 50 40 GGGB CCOc1ccc(Cl)cc1/C=N/NC(=O)CNc1ccc2c(c1)OCO2 409149933 WAKKNGKDWUJWBW-ZVBGSRNCSA-N 375.812 3.030 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2ccc(I)o2)cc1C 408999751 SGDOWAXDSDHZCT-QGMBQPNBSA-N 397.216 3.063 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCC(=O)O 5879808 DQLYXFWRKPQRSO-WSDLNYQXSA-N 378.384 3.076 50 40 GGGB COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(C)CSC2=C1C#N 20238322 ZUYQCUKTYZEMIJ-LLVKDONJSA-N 394.294 3.102 50 40 GGGB aggregator O=C(CCC(=O)Nc1cccc2ccccc12)N/N=C/c1ccc2c(c1)OCO2 2748049 YMPQEYMZFFYDEH-YDZHTSKRSA-N 389.411 3.438 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2cc(Br)cc(C)c2O)cc1 1433615 OHMAUKQDLMUESO-AWQFTUOYSA-N 376.254 3.334 50 40 GGGB O=C(NNC(=O)C1CC1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 3393373 PJDATBFCLXSSHM-UHFFFAOYSA-N 375.381 3.056 50 40 GGGB CC1=C(C(=O)OCCCCl)[C@@H](c2ccccc2Br)NC(=O)N1 4090295 IOEKOLRFQSKQIU-CYBMUJFWSA-N 387.661 3.249 50 40 GGGB COC(=O)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1OC 4502831 BJTYJIOWSGZVNR-WSDLNYQXSA-N 394.383 3.463 50 40 GGGB CCOc1ccc(NC(=O)CCC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)cc1 4525199 KSVLLAVAEXXICI-HMAPJEAMSA-N 398.419 3.253 50 40 GGGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(I)cc2)n1 409386113 LFIUMVPJFHRGOW-MDWZMJQESA-N 377.185 3.352 50 40 GGGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCOCC2)o1 408997440 OSAPAQYVIFQJKH-DEDYPNTBSA-N 393.896 3.402 50 40 GGGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C1CC(C)(C)CC2=O 409125483 FSCDOEXWGWFMDF-LJQANCHMSA-N 381.476 3.078 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(N)=O 408734787 JVXGDKSMOUGVHJ-RIYZIHGNSA-N 399.834 3.148 50 40 GGGB COc1ccc(CC(=O)N/N=C/c2cc(OC)c(OC)cc2Cl)cc1OC 409360377 FBDLNUVLAJQIBY-SRZZPIQSSA-N 392.839 3.067 50 40 GGGB Cc1ccc2nc(Cl)c(/C=N/NC(=O)c3ccc(Cl)cc3)c(=O)n2c1 3191411 MDALNCPRXDASST-DNTJNYDQSA-N 375.215 3.074 50 40 GGGB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CI)C3)cc1 2056225822 CKHBBKAXTBXUKB-HNNXBMFYSA-N 399.272 3.441 50 40 GGGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2c(cc1Cl)OCO2 873845 AJSZPSAIJXHHOL-MRXNPFEDSA-N 394.770 3.393 50 40 GGGB CCCc1n[nH]c2c1[C@H](c1cccc(OC(=O)c3ccco3)c1)C(C#N)=C(N)O2 4003667 VYTZKXGARZUKOY-QGZVFWFLSA-N 390.399 3.393 50 40 GGGB O=C(Cn1nnc2ccccc21)N/N=C/c1ccccc1OCc1ccccc1 4762923 LLEQGCNCZDBOBI-OEAKJJBVSA-N 385.427 3.161 50 40 GGGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cccc(Br)c1 13896883 RSGCGAVCGPYPEE-YDDPGSGASA-N 375.222 3.129 50 40 GGGB O=C(NNC(=O)[C@H]1CCOC1)c1ccc(CSc2ccc(Cl)cc2)cc1 69315412 BGYIJKGGMNSVMO-HNNXBMFYSA-N 390.892 3.430 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)COc2ccccc2)cc1Br 408862821 MORUWTFTEJLCHW-YBFXNURJSA-N 376.254 3.044 50 40 GGGB C#CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 408963043 LVGFSJVZDPFYQS-FSJBWODESA-N 376.334 3.490 50 40 GGGB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccco2)[C@H]3CCC1 61992920 KTMFHSFGNAIASB-IYHCKTHZSA-N 376.460 3.386 50 40 GGGB biogenic Cc1ccc(OCCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 5987348 ZYTGEMFJWKZGJK-UHFFFAOYSA-N 377.400 3.149 50 40 GGGB CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC 65997155 OMVGZLPMBIMRIO-RGVLZGJSSA-N 388.493 3.133 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)c(OC)c1 1092093 QHSQVEGHUDOODT-WSDLNYQXSA-N 398.850 3.366 50 40 GGGB O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 2621539 IINVHGNWOSDDGJ-UHFFFAOYSA-N 391.383 3.102 50 40 GGGB Cc1cc(C)cc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1 1800464 RDXPZGLJPVOUGV-UHFFFAOYSA-N 397.258 3.215 50 40 GGGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1cccs1 20213035 LXJDTEHPVATFQT-LDADJPATSA-N 399.925 3.016 50 40 GGGB CCN(CC)c1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)o1 408997673 SIJXIJHYZGBMRC-YBFXNURJSA-N 390.465 3.418 50 40 GGGB C/C(=N/NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)c1ccc(Cl)cc1 19682633 KAPMVGFOXSYGIO-MOHJPFBDSA-N 398.938 3.306 50 40 GGGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc(OC)c1O 806481 VAGARWDBLPRPFC-INIZCTEOSA-N 390.399 3.018 50 40 GGGB Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1F 30882946 OEJOCILBYLFXKR-UHFFFAOYSA-N 395.390 3.037 50 40 GGGB C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1 100505497 KKVNQYWVBZCMRP-VTLOZCKBSA-N 380.404 3.219 50 40 GGGB O=C(N/N=C/c1ccccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444661 PDFZMUQCEYNRLZ-ZVHZXABRSA-N 391.402 3.494 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(F)cc1 16739389 PWPLCVOANSMWGF-HGBKYHTQSA-N 395.459 3.306 50 40 GGGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408798218 VDRMDOYKQMEKSG-XNTDXEJSSA-N 377.356 3.161 50 40 GGGB O=C(NNC(=O)c1cccc(Br)c1)c1cccc(Br)c1 904337 MZIKEXGTFIAUJY-UHFFFAOYSA-N 398.054 3.286 50 40 GGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)o1 409145877 QJSGOEFKGXEKBB-CIPMJJFUSA-N 395.371 3.047 50 40 GGGB O=C(/C=C/c1ccco1)Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 4505822 MJGMWTOZKGUXPV-HDXUEXFRSA-N 390.395 3.082 50 40 GGGB N#C/C(=C\N1CCN(c2cccc(Cl)c2)CC1)C(=O)NCCc1ccccc1 5487356 DAEKQMBGMQNBDD-HTXNQAPBSA-N 394.906 3.228 50 40 GGGB COc1cc(C(=O)N/N=C/c2ccc(C)cc2)ccc1I 408748160 ZIPBLAMSJVTJMY-VCHYOVAHSA-N 394.212 3.372 50 40 GGGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)cc1 409132756 JWIDXCYMDHOZLY-CQSZACIVSA-N 399.497 3.467 50 40 GGGB Cc1c(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 5724487 AZZBJNDATGHGQT-UHFFFAOYSA-N 389.411 3.496 50 40 GGGB CCOc1cccc([C@@H]2C(C#N)=C(c3ccccc3)OC(N)=C2C(=O)OC)c1 669038 ZJRJWEYYDLAIIY-GOSISDBHSA-N 376.412 3.477 50 40 GGGB O=C(N1CCN(c2ccc(Cl)cn2)CC1)[C@]12CC[C@@H](C[C@@H]1Br)C2 101779266 MHSGTMSVXJNQPU-JDFRZJQESA-N 398.732 3.337 50 40 GGGB Cc1ccc(S(=O)(=O)/C(C#N)=C\N2CCN(c3ccc(F)cc3)CC2)cc1 102820936 VDPUBXUSFFVKBS-HKWRFOASSA-N 385.464 3.095 50 40 GGGB C/C(=N/NC(=O)c1ccccc1I)c1ccc(N)cc1 4321362 RUPREADNOZBDCY-ZDLGFXPLSA-N 379.201 3.027 50 40 GGGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)NC(N)=O 409237886 JIEGUYHCAJMWLU-CLTKARDFSA-N 395.158 3.263 50 40 GGGB COc1cccc(-n2c(C)cc(C(=O)NNC(=O)c3cc(C)oc3C)c2C)c1 40069558 HBQUHUGSEAQVME-UHFFFAOYSA-N 381.432 3.387 50 40 GGGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(O)ccc2Br)c1 904015 XRORVBYMVIXJNI-DJKKODMXSA-N 377.238 3.301 50 40 GGGB COc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(C(C)C)cc3)CC2=O)cc1 1421703 HAPOTYXKKFLMBU-ZMPUUUETSA-N 379.460 3.322 50 40 GGGB COc1ccccc1/C=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 9157697 KPBLLNTZWIZYHB-OBGWFSINSA-N 387.443 3.177 50 40 GGGB CCN(NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C)cc1 15766380 RNPXYGLOHWQTQG-UHFFFAOYSA-N 395.484 3.215 50 40 GGGB COc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccc(C(=O)O)cc1 408939825 ULYQSXDUCYQOBP-BKUYFWCQSA-N 378.388 3.340 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 40140385 DJMLRJFTXWGAGQ-VHSXEESVSA-N 378.778 3.478 50 40 GGGB O=C(N/N=C/c1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 6222243 HRQGHPRKOFMAIR-WVISFHDSSA-N 376.243 3.497 50 40 GGGB CCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(SC)cc2)CC(=O)N1 6323114 KESHSQYFPJPXGZ-OAHLLOKOSA-N 389.546 3.397 50 40 GGGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 17080716 DSPCUMYATZDGPQ-OAHLLOKOSA-N 394.774 3.308 50 40 GGGB CCCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C[C@@H](C)CC=C1C(C#N)=C(N)C2(C#N)C#N 19853514 JWLAABFKBCATAV-BQMFCVJUSA-N 397.482 3.437 50 40 GGGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)c(C#N)c1C 33764402 KTIUZTNQLQEUAI-MDWZMJQESA-N 397.456 3.483 50 40 GGGB CC(=O)Oc1ccc([N+](=O)[O-])cc1P(=O)(c1ccccc1)c1ccccc1 97951206 ZHUTXDSWQRKQQH-UHFFFAOYSA-N 381.324 3.160 50 40 GGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccccc2N)o1 98087158 MMRSHFHMWUWPAN-SRZZPIQSSA-N 380.360 3.210 50 40 GGGB O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2ccccc2n1 12760741 LOHXQCCEHQBSFE-UHFFFAOYSA-N 396.255 3.165 50 40 GGGB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c3c(cccc13)C(=O)OC2=O 106401722 IWICLOKXPSHVNJ-UHFFFAOYSA-N 392.323 3.320 50 40 GGGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1csc(N(CC)C(C)=O)n1 45579456 XMKAUAMWTYKJHR-GXDHUFHOSA-N 384.461 3.460 50 40 GGGB CN1/C(=C\C=N\NC(=O)c2ccc3c(c2)OCCO3)C(C)(C)c2ccccc21 17696982 GWXLPJMTUVUDOZ-OMNLKLCXSA-N 377.444 3.485 50 40 GGGB COc1ccccc1OCC(=O)N/N=C\c1cccn1-c1ccc(N(C)C)cc1 408949819 CJLLPPQDCKLARK-HAHDFKILSA-N 392.459 3.081 50 40 GGGB O=P(O)(c1ccc(Br)cc1)c1ccc(Br)cc1 1870314 DICGTKQQTWOBPE-UHFFFAOYSA-N 375.984 3.433 50 40 GGGB CCn1c(C)cc2c(c1=O)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 2324106 XHIMDIKFCAPFJB-OAHLLOKOSA-N 386.249 3.157 50 40 GGGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)C(=O)O 4083834 YMSDPXLIKNATEZ-QQHUYRGFSA-N 377.400 3.093 50 40 GGGB O=C(N/N=C/c1ccccc1F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409006126 MIVFLPQSFOJMDV-YDZHTSKRSA-N 387.842 3.482 50 40 GGGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(OC)c1 408808375 FVYFKPFMOZWNIG-OQLLNIDSSA-N 396.399 3.021 50 40 GGGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](O)c3ccccc3)c2C)cc1 408592047 XFRUHKHRZPXBAB-VSIOZEBNSA-N 377.444 3.286 50 40 GGGB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)NNC(=O)c1ccccc1 7674244 ASRAHSMXHIOXDK-CQSZACIVSA-N 380.473 3.029 50 40 GGGB COc1cc2ccccc2cc1C(=O)NNC(=O)COc1cc(C)ccc1C 8265973 GBPRBJVRAMMNHW-UHFFFAOYSA-N 378.428 3.305 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2C)cc1 58884235 YYVFKGAFVAVXSX-MFKUBSTISA-N 388.471 3.169 50 40 GGGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)O 409152812 KBBQDHKEKNIVNM-MDWZMJQESA-N 381.344 3.237 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(OC)c1OC 408777234 XDGMHKZTXGPMNA-GDNBJRDFSA-N 381.432 3.324 50 40 GGGB O=C(N/N=C\c1cc(Br)c(O)cc1O)c1cc2ccccc2o1 408857122 MXMJEWWCGCPQPH-LSCVHKIXSA-N 375.178 3.370 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1O 6145583 BZTQRVPSUHEVMW-OEAKJJBVSA-N 389.411 3.417 50 40 GGGB CCOC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 3242273 JLWPLNUAVBPQKN-LPYMAVHISA-N 392.415 3.391 50 40 GGGB Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2219954 XWLZRDCUAMXCOP-YJBOKZPZSA-N 397.862 3.207 50 40 GGGB Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(N)=O)ccc1Cl 2440731 UZLQOSDFHNIVNJ-UKTHLTGXSA-N 394.818 3.149 50 40 GGGB O=C(CNc1ccccc1F)N/N=C/c1sc(N2CCCCC2)nc1Cl 7781347 QMSZVKHRQXGVJC-UFFVCSGVSA-N 395.891 3.488 50 40 GGGB CCn1c(C)c(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21 409364216 NPFQECDLWJMVJU-OEAKJJBVSA-N 377.444 3.434 50 40 GGGB Cc1cc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc(C)c1Cl 36162511 LPFDARISHSZUAI-UFWORHAWSA-N 377.784 3.100 50 40 GGGB Cc1ccc(O[C@H](C)C(=O)N/N=C/c2ccccc2O)c(Br)c1 943555 OJDUNMJBKKLAEW-AINDZBIGSA-N 377.238 3.381 50 40 GGGB COc1cc(OC)c(/C=N/NC(=O)Cc2cccs2)cc1Br 8106620 OIUYPALHQRCSAO-RQZCQDPDSA-N 383.267 3.221 50 40 GGGB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)CCC1CCCCC1)[C@H]2C(=O)O 102202081 LHKHEXGCGNWVRO-RGCFKVTRSA-N 376.497 3.188 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)C2CCCCC2)cc1 674530 IEVNMZBVZZWMDL-LPYMAVHISA-N 381.432 3.381 50 40 GGGB Cc1ccc(-c2cc(C(=O)NNC(=O)c3cnccn3)c3ccccc3n2)cc1 17198093 KXFXIAAJRNSXRR-UHFFFAOYSA-N 383.411 3.075 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(OC)c1 6646220 RFHYKLHVRAEVJI-WSDLNYQXSA-N 394.383 3.426 50 40 GGGB COc1ccc(CC(=O)N/N=C\c2cccc(Br)c2)cc1OC 59515919 NZZPPYWJXHNBCF-ODLFYWEKSA-N 377.238 3.159 50 40 GGGB COc1ccc(OCC(=O)N/N=C(\C)c2cccc(Br)c2)cc1 5164364 JATPASXIQQPHAE-XDHOZWIPSA-N 377.238 3.377 50 40 GGGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 408904822 PCXQHUBYFMBBBK-JMIUGGIZSA-N 399.359 3.131 50 40 GGGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCOc3cc(C)cc(C)c3)ccc21 36397486 DJHCBQOIKOTOIJ-UHFFFAOYSA-N 394.475 3.212 50 40 GGGB O=C(N/N=C/c1ccn(CC(F)(F)F)n1)c1cc(-c2ccc(Cl)cc2)[nH]n1 252510873 ZQFZDULOIWYCAF-ODCIPOBUSA-N 396.760 3.253 50 40 GGGB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N/N=C/C=C/c1ccccc1 2072534 AVYYSFXNKLAZJZ-BHABEAAASA-N 381.501 3.354 50 40 GGGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)c1 2297508 GBLYBGCVSHQRBF-CQSZACIVSA-N 399.497 3.467 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OCc1ccccc1 2769493 LNMJPPGVMQDMSB-CPNJWEJPSA-N 378.428 3.040 50 40 GGGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1C(F)(F)F 4838943 RUZDANFKCNAFKG-AUEPDCJTSA-N 383.757 3.125 50 40 GGGB O=C(N/N=C/c1cccnc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 5004622 UFMRZNNBEUSYRA-CXLYJZFPSA-N 376.441 3.064 50 40 GGGB CCN(CC)C(=O)COc1ccc(/C(C)=N/NC(=O)Cc2ccccc2)cc1 7159669 JIUHHOFXRJLOKK-HAVVHWLPSA-N 381.476 3.017 50 40 GGGB C[C@@H]1C/C(=N\NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC(C)(C)C1 33042654 YELXMNBKCVOCOD-OTUOZYHDSA-N 391.537 3.403 50 40 GGGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NN=C3CCCC3)cc2)cc1 409111389 IOAOJXKPYIWGGI-UHFFFAOYSA-N 385.489 3.480 50 40 GGGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cc(Br)ccc2O)c1 904063 ROBLURDNNGJTNJ-DJKKODMXSA-N 377.238 3.301 50 40 GGGB Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(N)=O)N(c2ccc(F)cc2)C1=O 1888480 VXXYYBXIEYQGJD-IMGOXIFKSA-N 381.432 3.046 50 40 GGGB Cc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)c1 408971503 GRJSSLZAJOCRLO-IUXPMGMMSA-N 378.182 3.135 50 40 GGGB CCOC(=O)N1CCC(=NNC(=O)CSc2nc3ccccc3s2)CC1 5866580 BVUHLBVQJIMOFG-UHFFFAOYSA-N 392.506 3.113 50 40 GGGB COc1ccc(C(=O)Nc2ccc(/C(C)=N/NC(=O)c3ccncc3)cc2)cc1 15895119 NEQNWYSPLFAEHL-MFKUBSTISA-N 388.427 3.497 50 40 GGGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1C(=O)O 409161209 ZJRUROMPEMTUSC-XNTDXEJSSA-N 394.383 3.116 50 40 GGGB Cc1c(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc(N)c1C#N 252394529 OXKQMUJQSDBBJE-UHFFFAOYSA-N 395.400 3.443 50 40 GGGB Cc1ccc(S(=O)(=O)NCP(=O)(c2ccccc2)c2ccccc2)cc1 1275293 GRDSZSKXIHSRFL-UHFFFAOYSA-N 385.425 3.245 50 40 GGGB C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)/C(C#N)=C(/C)N 104807543 AOBDZLAMCWTKHF-VKAVYKQESA-N 397.504 3.023 50 40 GGGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)OCCO1 5523153 IYKSUDPIXQAMIC-VXLYETTFSA-N 393.783 3.111 50 40 GGGB C[C@H](C(=O)N/N=C/c1ccccc1F)n1cnc2sc3c(c2c1=O)CCCC3 958185 ZGZYAJPLVQQRKF-BCFXSHNWSA-N 398.463 3.187 50 40 GGGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)o1 59332928 LHZXLZSELMDQRE-VLGSPTGOSA-N 378.476 3.382 50 40 GGGB O=C(NNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1cccs1 12913728 CTULKTAWATUKCY-UHFFFAOYSA-N 386.454 3.323 50 40 GGGB O=C(CCc1ccccc1O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 4119009 LEOLSQZLEOLEQJ-PXLXIMEGSA-N 396.447 3.374 50 40 GGGB CCCc1cc(C(=O)N/N=C(\C)c2cccc(NC(=O)/C=C/C(=O)O)c2)cs1 17081695 BFTGHWPNZXTOCL-UXWOPCDISA-N 399.472 3.434 50 40 GGGB Cc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)o1 1089297 IOZTXZURUMUMRB-VXLYETTFSA-N 387.237 3.359 50 40 GGGB C[C@@H](Br)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 9584636 GUVAJSZPIBTNPL-LLVKDONJSA-N 390.233 3.411 50 40 GGGB COc1ccc(CCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 12754976 SGPVSIJVJUNGOR-MRXNPFEDSA-N 392.455 3.396 50 40 GGGB CCCN1C(=O)[C@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C)C[C@H]32)c2ccccc21 13116595 TVMAWGLOBOWAHG-PQNFPLSNSA-N 397.482 3.437 50 40 GGGB COc1cc(OC)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 27225186 DRQUBIINDDFDTK-VBKZILBWSA-N 390.443 3.306 50 40 GGGB Cc1nn(-c2ccc(Br)cc2)c(C)c1/C=C(\C#N)C(=O)NC1CC1 53103103 XNGSVNWUZMDZCI-UKTHLTGXSA-N 385.265 3.437 50 40 GGGB CC(C)N(Cc1ccccc1)C(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1 5297315 ISDBBQWDPJAQIH-INIZCTEOSA-N 396.516 3.188 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(C)=O 5378918 FQVWNDCOLCZMBL-VXLYETTFSA-N 391.221 3.147 50 40 GGGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1ccoc1C 6901818 QRIMIWZUJGJMIU-HYARGMPZSA-N 377.448 3.446 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 13847783 CRZKLUYCFVJPEU-CMHRUIPMSA-N 384.348 3.006 50 40 GGGB Cc1noc(C)c1COc1ccccc1C(=O)NNC(=O)c1ccccc1F 29550135 DJGPBHFIFTWOMB-UHFFFAOYSA-N 383.379 3.084 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 107443957 ZCRCCIJSOQHTFU-LJPPZMMYSA-N 382.460 3.086 50 40 GGGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1O 216041655 QUTIPSMRNBIWRU-JMIUGGIZSA-N 391.265 3.473 50 40 GGGB CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4c(F)cccc4Cl)[C@H]3[C@H]1CC2 108267503 SDNICZOASPRHKD-ZSDNKIRRSA-N 393.853 3.365 50 40 GGGB CCc1ccc(OCC(=O)N/N=C2/C(=O)N(CC(C)C)c3ccccc32)cc1 102976791 VWTPEOTUWVUOSN-DARPEHSRSA-N 379.460 3.151 50 40 GGGB CC(C)CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1 7520277 YYESXMZSTGQRQU-UHFFFAOYSA-N 396.896 3.388 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Cl)c1OCC(=O)O 408591578 UYQIUTYTKKEKMS-DNTJNYDQSA-N 397.214 3.229 50 40 GGGB Cc1cc(C)c(S(=O)(=O)NNC(=O)COc2ccc3ccccc3c2)c(C)c1 32855687 ZGGNWANKLBHRPQ-UHFFFAOYSA-N 398.484 3.154 50 40 GGGB N#C/C(=C\c1ccccc1F)c1nnc(N2CCOCC2)n1-c1ccccc1 12545155 FUZBZGRPXSIWNY-SAPNQHFASA-N 375.407 3.307 50 40 GGGB O=C(NNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1ccncc1 101024296 KGUSTGVPZDCCDZ-TWVWUCKLSA-N 375.472 3.381 50 40 GGGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C 408592462 YHNSGTBLEUYPES-YDZHTSKRSA-N 376.416 3.040 50 40 GGGB Cc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 138419421 MQIHSKJWVWMUOQ-HAHDFKILSA-N 389.411 3.289 50 40 GGGB CCOC(=O)N/N=C/c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1 3241941 NUPNOIZOGJNPBG-CIAFOILYSA-N 386.404 3.141 50 40 GGGB CCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 5962204 VJTMXLGKCDZLHY-XLNRJJMWSA-N 392.242 3.259 50 40 GGGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)CSCc1ccccc1 18193332 BYEMPQJJACACBZ-UHFFFAOYSA-N 381.457 3.344 50 40 GGGB C/C(=C\C(=O)C(F)(F)C(F)(F)F)NNC(=O)COc1c(C)cc(C)cc1C 408951477 IWTPASARGNKGSS-KPKJPENVSA-N 394.340 3.282 50 40 GGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 108185119 QZMOFBXRPSXFMZ-NDENLUEZSA-N 394.343 3.456 50 40 GGGB CCN(Cc1ccccc1)C(=O)COC(=O)/C(C#N)=C\c1ccc(OC)cc1 6483234 RMTKPFUXXZPMPP-UYRXBGFRSA-N 378.428 3.194 50 40 GGGB C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cccc(Cl)c3)cc2C1 7403179 IOJVNRGPTXQETJ-SNVBAGLBSA-N 384.910 3.150 50 40 GGGB Cc1onc(-c2ccccc2)c1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8386722 TUFMTROIDVYKOE-UHFFFAOYSA-N 383.320 3.223 50 40 GGGB CCNC(=O)COc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1OC 44028385 FPYGRUOANZRXAG-OQLLNIDSSA-N 384.457 3.370 50 40 GGGB COc1cc(C(=O)NN)cc(Cl)c1OCc1ccc(Br)cc1 226328942 HZAISKLIFNVACL-UHFFFAOYSA-N 385.645 3.294 50 40 GGGB COc1cccc(C(=O)N/N=C/c2cc(Br)c(N3CCCC3)o2)c1 59249242 LGRIGPCZNLSHDU-YBFXNURJSA-N 392.253 3.415 50 40 GGGB C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccccc3Cl)cc2C1 6316154 XEXOXHMISRUZAW-JTQLQIEISA-N 384.910 3.150 50 40 GGGB O=C(CCc1nc2ccccc2s1)NNC(=O)CSc1ccccc1F 6603067 PCROITBEEOSSJN-UHFFFAOYSA-N 389.477 3.308 50 40 GGGB COc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 6928234 VVIWPKHJBNIKST-FLFQWRMESA-N 385.423 3.376 50 40 GGGB COc1cc(C=NNC(N)=O)cc(Cl)c1OCCOc1ccccc1C 15939042 PVTXQPVGACHAJS-UHFFFAOYSA-N 377.828 3.117 50 40 GGGB COc1ccc(/C(C#N)=C/c2ccc(OCC(N)=O)c(Br)c2)cc1 408581182 HHHAATZPGYCQDM-RIYZIHGNSA-N 387.233 3.386 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)NC)ccc1OCC(=O)Nc1ccc(C)cc1 409006994 MAGHJYXYZKUINF-BOPFTXTBSA-N 393.443 3.064 50 40 GGGB Cc1cc(C)c(NC(=O)C(=O)N/N=C/c2ccc(Br)cc2)c(C)c1 3057454 YECGDILJOXSNNM-KEBDBYFISA-N 388.265 3.463 50 40 GGGB O=C(N/N=C(/c1ccccc1)[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 5378189 FWBHGZGXNXQODB-UUZBPDLYSA-N 375.384 3.463 50 40 GGGB O=c1[nH]c2c(cc1Br)[C@@H](Br)[C@@H](Br)C=C2 1700642 SHJRWGOFVFLJLT-YLWLKBPMSA-N 383.865 3.364 50 40 GGGB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)CCC1CCCCC1)[C@@H]2C(=O)O 102618745 LHKHEXGCGNWVRO-ILRDRHFLSA-N 376.497 3.188 50 40 GGGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 59232847 GDGBGAZHGTZRGX-NTUHNPAUSA-N 383.360 3.166 50 40 GGGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccccc1C(F)(F)F 408973941 QYOCXAJOBUIGTM-PZLKWIMZSA-N 389.377 3.172 50 40 GGGB O=C(N/N=C/c1ccc(Sc2nnnn2-c2ccccc2)o1)c1ccccc1 3184123 AZMBQYIAYAKBTQ-DEDYPNTBSA-N 390.428 3.170 50 40 GGGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cccc(O)c2)cc1Cl 100810371 QTAZOGXEYXLBIS-SRZZPIQSSA-N 375.812 3.189 50 40 GGGB C/C(=N/NC(=O)c1ccc(Br)cc1)C1C(=O)CC(C)(C)CC1=O 103770016 JSRMKZZLPNQQEI-GRSHGNNSSA-N 379.254 3.129 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)CNc1ccc(C)cc1 1215548 CBLQPDSMQMJTCT-KEBDBYFISA-N 376.254 3.328 50 40 GGGB O=C(N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1 4814061 FPSJVABMULEBEK-YDZHTSKRSA-N 388.379 3.398 50 40 GGGB CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1O 37020486 XVWUGLGSFTYIGC-ODLFYWEKSA-N 377.238 3.246 50 40 GGGB COc1cc(Br)cc(/C=N/NC(=O)CNc2ccc(C)cc2)c1O 1214494 QZBCRDUUJASXGW-AWQFTUOYSA-N 392.253 3.034 50 40 GGGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 12292706 VNYHHKGUWNMKKU-KRWDZBQOSA-N 384.476 3.421 50 40 GGGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1O 13471792 CSTFGGJEJBVLQF-ILSDNQPNSA-N 381.270 3.440 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1OCC 33731428 CLVJVPIGGUKDSB-HYARGMPZSA-N 381.432 3.372 50 40 GGGB COc1ccccc1C(=O)N/N=C(\C)CC(=O)NC1C2CC3CC(C2)CC1C3 100289140 ODZQZHWUBKONFI-ZMOGYAJESA-N 383.492 3.132 50 40 GGGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccccc1Cl 409094106 CUNVZJROUSZGFG-REZTVBANSA-N 398.600 3.480 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccccc1F 3335551 KSGMENXTVLBXHA-WYMPLXKRSA-N 393.374 3.212 50 40 GGGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3)o2)cc1 408534555 WABLPYMAFXYXQL-LPYMAVHISA-N 378.384 3.262 50 40 GGGB COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408951679 MHVMTFUCVOCOIE-BOPFTXTBSA-N 375.428 3.451 50 40 GGGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(O)c(OC)c3)cc2c1 409186570 DWZIUYJIVKRKEM-NHDPSOOVSA-N 384.388 3.318 50 40 GGGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 1021197 WWTULCXIASBHFR-ZVBGSRNCSA-N 399.403 3.284 50 40 GGGB N#CC1=C(N)Oc2nc(SCc3ccccc3)[nH]c(=O)c2[C@H]1c1ccccc1 5130380 YWYMYEIXIACBON-INIZCTEOSA-N 388.452 3.280 50 40 GGGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc(F)cc1F 2656705 IJTKMCMSSNBPDN-UHFFFAOYSA-N 382.366 3.472 50 40 GGGB Cc1c(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc(N)c1C#N 13616146 OXKQMUJQSDBBJE-ZVBGSRNCSA-N 395.400 3.443 50 40 GGGB CCc1nc2ccccc2n1CC(=O)NNC(=S)Nc1cc(C)cc(C)c1 7502656 MZMYYRZQTIRNIM-UHFFFAOYSA-N 381.505 3.233 50 40 GGGB COc1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3O)o2)c([N+](=O)[O-])c1 408880232 GRXLSJWATLOZCZ-JAIQZWGSSA-N 381.344 3.333 50 40 GGGB COc1ccc(/C=N\NC(=O)c2c(C)nc3ccc(Br)cn23)cc1 32123397 VLQLREBXDINPJM-OCKHKDLRSA-N 387.237 3.178 50 40 GGGB O=C(NNc1c(F)c(F)nc(F)c1F)c1cc(Cl)c2c(c1)OCCCO2 20914401 SXNZRMZEAPNLTQ-UHFFFAOYSA-N 391.708 3.210 50 40 GGGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)c2)n1 676002 VASNCLZOUHTXSX-CIAFOILYSA-N 377.404 3.220 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)c(OC)cc2OC)c1 8811053 YWGKGOAWAGNXMA-KEBDBYFISA-N 378.812 3.138 50 40 GGGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccco3)cc2)cc1 59146736 PEHBSTWMXDTZSV-DEDYPNTBSA-N 384.413 3.120 50 40 GGGB Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)c(C)n1CC(C)C 28668804 RLKWFASQESXMCA-WBNYAZSOSA-N 399.413 3.278 50 40 GGGB C/C(CC(=O)Nc1ccc(C)c(C)c1)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1 4691102 HCWTWWBZCPYZAE-PXLXIMEGSA-N 382.420 3.275 50 40 GGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1ccccc1[N+](=O)[O-] 408599275 RRASMWRZMKKVLB-LZYBPNLTSA-N 393.153 3.029 50 40 GGGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C 408591598 VAQDSAYMHOZQDM-WSDLNYQXSA-N 377.404 3.470 50 40 GGGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1 409072955 FNUKGMHVOZOBGI-CIAFOILYSA-N 378.388 3.472 50 40 GGGB COc1ccccc1C(O)(C(=O)NN(C)c1ccccc1)c1ccccc1OC 824854 MNIRDATYCLCXHX-UHFFFAOYSA-N 392.455 3.107 50 40 GGGB Cn1cc(C(=O)NNS(=O)(=O)c2c(Cl)cccc2Cl)c2ccccc21 12554844 PPLKZGAVYDFBCN-UHFFFAOYSA-N 398.271 3.108 50 40 GGGB CCCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1 27991369 GVNCQYFYOUTGNU-UHFFFAOYSA-N 385.276 3.360 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)c([N+](=O)[O-])c1 4775387 HCPAOLGZZHEABU-GIJQJNRQSA-N 392.209 3.195 50 40 GGGB Cc1ccc(C(=O)N/N=C2\C(=O)N(CCCC#N)c3ccccc32)cc1Cl 18192413 MQOGWVNRIRRQCT-NKFKGCMQSA-N 380.835 3.433 50 40 GGGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408728593 PKIHBKPESUKZRD-SRZZPIQSSA-N 393.355 3.276 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OC 408788991 NRWWMKJSQPXMNH-LFIBNONCSA-N 380.400 3.426 50 40 GGGB COc1ccc(C(C)=NNC(=O)C(=O)Nc2cccc3ccccc23)c(OC)c1 253476460 QQTWVIHXELGJOR-UHFFFAOYSA-N 391.427 3.336 50 40 GGGB COc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(OC)c1 5738414 OAWQZCPKFVDTAR-KEBDBYFISA-N 392.253 3.029 50 40 GGGB COc1cccc(/C=N/NC(=O)[C@H](C)Nc2ccc(Br)cc2)c1O 687086 OQKZVLKXSNZFKM-VSMYLPJWSA-N 392.253 3.114 50 40 GGGB COc1ccc(CC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 4689965 IQDYFIIQSWNPIY-UHFFFAOYSA-N 390.439 3.131 50 40 GGGB COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OC 5335038 DEFCWSYRDCUHDL-KEBDBYFISA-N 392.253 3.029 50 40 GGGB C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)/C=C/c3ccccc3)cc2C1 7403174 LLHVAAHMJBMSDI-LXKVQUBZSA-N 376.503 3.108 50 40 GGGB Cc1cc(C)c(S(=O)(=O)N2CCN([C@H]3CCC[C@@H](Cl)C3)CC2)c(C)c1 14186432 JBYIERLHIOIOEV-MSOLQXFVSA-N 384.973 3.468 50 40 GGGB O=C(N/N=C/c1ccc(N2CCCC2)o1)C(O)(c1ccccc1)c1ccccc1 59138243 QEQVGSPPZWKFDC-JJIBRWJFSA-N 389.455 3.266 50 40 GGGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 408795655 MBSKFOKQLJUNTP-MHWRWJLKSA-N 380.400 3.101 50 40 GGGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)OC)cc1 408796355 OVTPWBADMFMRFY-FOWTUZBSSA-N 380.400 3.183 50 40 GGGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(SC)cc3)CC2=O)cc1 6962930 IAKZDWHVIHBUFJ-QLPFJNHISA-N 397.500 3.310 50 40 GGGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNC3CCCCC3)o2)cc1 409370251 NOFGEYYQAMYMQF-YDZHTSKRSA-N 383.448 3.106 50 40 GGGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cccs1 408968611 AHCCTXVKULAQRH-KKJJZKEWSA-N 387.505 3.117 50 40 GGGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1 408805188 JITZZYIUEOOYKL-LDADJPATSA-N 377.444 3.444 50 40 GGGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cccc(Cl)c1Cl 408973944 QZTBXMGEUVVQRX-WPZNHYQYSA-N 390.270 3.460 50 40 GGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCC)cc1 408608902 XKUSYHFLCUKIMP-MRXNPFEDSA-N 384.461 3.033 50 40 GGGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1 408858706 LARFENYGNPEUTF-RGVLZGJSSA-N 390.281 3.353 50 40 GGGB CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408606774 AXPGFZJOPOXWSS-LSHDLFTRSA-N 394.258 3.159 50 40 GGGB O=C(N[C@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=O)c1ccc(Cl)cc1 101087825 PAYXFNXQJJNGHT-KRWDZBQOSA-N 396.661 3.146 50 40 GGGB COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21 703631 ZSDNWRNOGYXOAB-CYBMUJFWSA-N 379.199 3.482 50 40 GGGB CCc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 1795169 HQKBCXDLIGWGOA-UHFFFAOYSA-N 384.476 3.152 50 40 GGGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c1O 36236341 ZTBANIHZFVONNB-DJKKODMXSA-N 377.784 3.425 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCC(=O)O 409053556 ZNAURDXEQQCMLD-UFFVCSGVSA-N 390.823 3.274 50 40 GGGB O=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cc2c(s1)CCC2 7379602 CMZQWRDKPRQBRM-UHFFFAOYSA-N 391.301 3.167 50 40 GGGB C=CCc1cc(/C=N\NC(=O)Nc2ccccc2C)cc(OC)c1OCC(=O)O 408846186 PFCHHYIYCWDNNW-UUYOSTAYSA-N 397.431 3.351 50 40 GGGB CC(C)c1ccc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 6369276 OTJBWQBGAVQXHR-HKOYGPOVSA-N 378.520 3.472 50 40 GGGB CCOC(=O)c1[nH]c2c(c1C)C(Cl)=C(/C=N\NC(=O)c1ccncc1)CC2 31969687 YIFNOLOGASZSKE-YVNNLAQVSA-N 386.839 3.207 50 40 GGGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 20028775 ULIGEQPRKHKIGZ-KEBDBYFISA-N 382.247 3.036 50 40 GGGB O=C(CCc1ccccc1)N/N=C/c1ccc(I)cc1 408869092 QYPGHEVWEKOIEM-LDADJPATSA-N 378.213 3.374 50 40 GGGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C1\CCCc2ccccc21 21841183 SSXJFZNTIXHACN-ZNTNEXAZSA-N 376.504 3.056 50 40 GGGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc21 33645835 LMMIIARJOBOQLO-UVTDQMKNSA-N 375.384 3.066 50 40 GGGB O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)Cc1ccccc1F 2661040 MKZCDAAGBWCYIY-UHFFFAOYSA-N 378.403 3.262 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)O)cc1 409040622 HEFFNHRIXYRVKA-MDWZMJQESA-N 386.791 3.358 50 40 GGGB COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)CCl)c3)o2)cc1 39757722 JPOPYBOOHOEZCR-UHFFFAOYSA-N 386.795 3.175 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 6180652 RSXKDJLVRCWCMX-ZVBGSRNCSA-N 397.309 3.395 50 40 GGGB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)c1cccs1 100422957 YJGWMVNQVIEGGV-GDNBJRDFSA-N 397.485 3.289 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C/N2CCN(c3cccc(C)c3C)CC2)cc1 7572356 HUTNASKPVPZZBK-KNTRCKAVSA-N 390.487 3.480 50 40 GGGB COc1cccc(/C=N\NC(=O)c2c(C)nc3ccc(Br)cn23)c1 33344901 GJNJHDVQMQUESG-OCKHKDLRSA-N 387.237 3.178 50 40 GGGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)COc1ccc(C(C)C)cc1 1425044 DOOXPHDHHATHOA-WSDLNYQXSA-N 386.448 3.365 50 40 GGGB CCCCC(=O)NNC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1793442 RDBMRGVEKOLPSN-SDNWHVSQSA-N 382.376 3.099 50 40 GGGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cccc(Oc2ccccc2)c1 3369115 CLEJPYSBODQQCW-HXUWFJFHSA-N 390.395 3.080 50 40 GGGB Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(N)=O)c1 4205474 ZFKRJKREDWNHSE-RVDMUPIBSA-N 388.427 3.311 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCCC3)cc2C)n1 4738890 CHAXMJKRYQUUPX-CIAFOILYSA-N 383.521 3.244 50 40 GGGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccccc1 4891949 RTCZRWBJRNYMBR-RCCKNPSSSA-N 380.425 3.218 50 40 GGGB COc1ccc(NCC(=O)NNC(=O)c2ccccc2Oc2ccccc2)cc1 8707065 MLNAKGTXSBNWAH-UHFFFAOYSA-N 391.427 3.361 50 40 GGGB C/C(NNC(=O)c1ccncc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 9183925 CEPCXGXWSOJGKT-SILNSSARSA-N 397.438 3.041 50 40 GGGB C/C(NNC(=O)c1cccnc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 9305674 XZDDRIGAFOOCBV-SILNSSARSA-N 397.438 3.041 50 40 GGGB CCCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)C(C#N)=C3C)o2)cc1 33153806 NHXFOIFAJAYWHN-GZTJUZNOSA-N 390.395 3.393 50 40 GGGB CO[C@@]1([C@H](Cl)c2ccccc2)C(=O)N(C)/C(=C/c2ccccc2)C(=O)N1C 104240263 GVPXBASNZUEQDE-GPYFYPFSSA-N 384.863 3.281 50 40 GGGB CC(=O)OC/C(=C/C(=O)O)CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C 253389702 XMWOVKVFIVCVPN-CAPISLKDSA-N 392.492 3.289 50 40 GGGB biogenic,in-vitro Cc1nn(CC(C)C)c(Cl)c1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 8877774 AKMXNUYIJGUDLO-UHFFFAOYSA-N 392.931 3.478 50 40 GGGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C 9260300 HCRRWFJNXZQHOW-FSJBWODESA-N 376.416 3.260 50 40 GGGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)c(OC)c1 59444432 AWBXVJVFKJPRFT-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB CCCCCCn1c(SCC(=O)/C(C#N)=C(/C)N)nc2ccccc2c1=O 103084764 MREQDZQAGYUTCB-PEZBUJJGSA-N 384.505 3.394 50 40 GGGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 13140946 VZXRURIPTYRNHE-ZDUSSCGKSA-N 383.379 3.018 50 40 GGGB O=C(N/N=C\c1ccc(Br)o1)c1cc(Br)ccc1O 83326932 OLEHXUJQUPJFAD-UUASQNMZSA-N 388.015 3.274 50 40 GGGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cc(C)cc(C)c2)cc1 4416493 CQYAIAOQBPQCOU-PCLIKHOPSA-N 394.475 3.325 50 40 GGGB Cc1ccccc1C(=O)N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21 101560055 QNLMLVQAAQQCTJ-FLFQWRMESA-N 390.487 3.309 50 40 GGGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 59426514 DBBACRFDFCAZKD-LPYMAVHISA-N 378.384 3.346 50 40 GGGB Cc1ccc(C(=O)NNS(=O)(=O)c2cc(Cl)sc2Cl)c(C)c1 12853714 ADHXERKOKBQRRF-UHFFFAOYSA-N 379.290 3.295 50 40 GGGB COCCn1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 408963446 NYSMVAFOXJDXCA-RGVLZGJSSA-N 384.392 3.170 50 40 GGGB COc1cccc(C(=O)N/N=C\c2ccc(I)cc2)c1 33740631 GYNGRCHRYOYPAO-YVLHZVERSA-N 380.185 3.064 50 40 GGGB O=C(N/N=C/c1ccccc1Cl)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1091948 DMTZPHMULIXFEI-RGVLZGJSSA-N 383.795 3.257 50 40 GGGB COc1ccc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3093583 WRDSFNHKNDFVAS-KEBDBYFISA-N 380.231 3.481 50 40 GGGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 5511447 NAFRSNRPLIHZOV-CIAFOILYSA-N 393.355 3.405 50 40 GGGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2330951 CBWAWHDPSRGHJP-UYPHOHSBSA-N 383.860 3.252 50 40 GGGB Cc1nc(SCC(=O)NNC(=O)c2cccs2)c2c(C)c(C)sc2n1 7650818 JIKWCXIJNRNUKV-UHFFFAOYSA-N 392.531 3.231 50 40 GGGB O=C(N/N=C\c1cc(Cl)cc(Br)c1O)c1ccc2c(c1)OCO2 15938504 MZZRBNLXTVXVGB-FXBPXSCXSA-N 397.612 3.301 50 40 GGGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2cccnc2)/C(=C/c2cccnc2)C1 19911278 ZJCHLIOEUWOQSJ-MZPCATCRSA-N 385.471 3.346 50 40 GGGB aggregator O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 409377155 GINZOCRUIOYCAV-SSDVNMTOSA-N 388.399 3.366 50 40 GGGB CC(C)c1nc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c[nH]1 78808960 PKHGKDOLZGYLGD-UHFFFAOYSA-N 378.432 3.040 50 40 GGGB CCCc1[nH]nc2c1[C@@H](c1ccc(Br)c(F)c1)C(C#N)=C(N)O2 5130644 YXTDTZSYEUWDOU-ZDUSSCGKSA-N 377.217 3.482 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1OCC 408841124 JAPGWXSOXGQDPW-HZHRSRAPSA-N 398.459 3.360 50 40 GGGB CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(N)=O)c2ccccc21 46084986 BTUTWBQFOAAKCA-NMWGTECJSA-N 380.448 3.175 50 40 GGGB COc1ccc(Br)c(/C=N/NC(=O)COc2cccc(C)c2)c1 3174560 XNJXZXGZMBPKIJ-VXLYETTFSA-N 377.238 3.295 50 40 GGGB CCOC(=O)COc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 818645 FTGTVEOKIKWFPZ-LJQANCHMSA-N 396.443 3.079 50 40 GGGB O=C(CN1CCCCC1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 4714623 VYYNMMPDRLEBRB-HYARGMPZSA-N 396.447 3.110 50 40 GGGB N#C/C(C(=O)CN1CCN(Cc2ccccc2)CC1)=C1/Nc2ccccc2S1 19682160 BCXZXACODOLBQV-RELWKKBWSA-N 390.512 3.326 50 40 GGGB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NNC(=O)C12CC3CC(CC(C3)C1)C2 16160681 ASEJGYZABMVPBY-UNOMPAQXSA-N 396.466 3.269 50 40 GGGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(I)o1 408795401 CCJXBUMOIDHOLI-AMUUTIQOSA-N 384.217 3.486 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1O[C@@H](C)C(=O)O 409019540 JQPAHBABHFCIGG-CJAAZZPWSA-N 384.363 3.232 50 40 GGGB Cc1ccccc1/C=N/NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 5603085 OWHRIQPCHFDNGO-HYARGMPZSA-N 380.448 3.266 50 40 GGGB O=C(Cn1c(Br)nc(Cl)c1Cl)N/N=C/c1cccs1 2555863 IHVTYLSOGSJUDD-LNKIKWGQSA-N 382.070 3.164 50 40 GGGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccc(Cl)cc2)c(OC)c1 105414546 NRHMBBMCJZHDRW-WSDLNYQXSA-N 389.839 3.492 50 40 GGGB CCOc1cc(Br)cc(/C=N\NC(=O)c2ccc(C)nc2)c1O 4724782 WQCIRWCQYIQFPQ-OCKHKDLRSA-N 378.226 3.021 50 40 GGGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@H]1COc2ccccc2O1 1296649 OQCRINMBFCDGEC-NMONLQQWSA-N 396.834 3.124 50 40 GGGB Cn1c(SCC(=O)N/N=C/c2cccs2)nnc1-c1ccc(Cl)cc1 2320145 UEOTYCFKUNKOQP-GIJQJNRQSA-N 391.909 3.439 50 40 GGGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)o1 7964821 MZRBVPPBRSOQBD-GFCCVEGCSA-N 386.354 3.453 50 40 GGGB CCCCNC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1 17080512 XRLLEOWCMOFOBR-UHFFFAOYSA-N 394.269 3.112 50 40 GGGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2Cl)s1 408729954 FLSOHYDXGHOQCU-YBFXNURJSA-N 393.900 3.403 50 40 GGGB Cc1cccc(OCCNC(=O)NNC(=O)c2cc(Cl)ccc2Cl)c1 40091424 KZVMCKVSIZNTIB-UHFFFAOYSA-N 382.247 3.325 50 40 GGGB COC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2ccccn2c1=O 4205487 AEFLTQLCLGCAJJ-RVDMUPIBSA-N 375.384 3.184 50 40 GGGB COc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(C)=O 4721574 NJMGONPACHRVML-WSDLNYQXSA-N 393.399 3.348 50 40 GGGB COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 5728360 FYRKVSWZKMCWIQ-YVLHZVERSA-N 388.427 3.317 50 40 GGGB COc1cccc(OC)c1/C=N/NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 6583668 ASJUNXKLGHHFEZ-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB COc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)O)c3ccccc23)c1 16228053 AJWNMJHPTUCLRG-ZROIWOOFSA-N 375.384 3.280 50 40 GGGB COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(OC)c1OC 408905117 TYAVFYTVHHOXTD-JMIUGGIZSA-N 399.359 3.131 50 40 GGGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N4CCOCC4)o3)cc2c1 409187428 QFZAYANKTGWJKS-BKUYFWCQSA-N 383.404 3.025 50 40 GGGB COc1cc(C(=O)N/N=C/c2ccc(Br)s2)cc(OC)c1OC 1023491 AUWQIHUKGPVZDN-CAOOACKPSA-N 399.266 3.300 50 40 GGGB CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1ccccc1)C(C#N)=C(N)O2 2257653 BBMPZWFURLKDLA-HXUWFJFHSA-N 392.503 3.107 50 40 GGGB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 3448302 KROFYIFDVRANMC-HUCUOGIVSA-N 389.455 3.181 50 40 GGGB N#CC1=C(SCC(=O)N2CCCC2)NC(=O)C[C@H]1c1ccc(Cl)cc1 6495375 KFRQOEYOGHKASM-AWEZNQCLSA-N 375.881 3.034 50 40 GGGB CCn1c(C)c(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c2ccccc21 6946975 ZTXDWOMBINSEPA-FOKLQQMPSA-N 378.432 3.261 50 40 GGGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 23382623 RITRUOGBNQAGFQ-CLXYIWAZSA-N 394.427 3.031 50 40 GGGB CCn1c(SCC(=O)N/N=C\c2cccc(O)c2)nnc1-c1ccc(C)cc1 30743044 HTCLBXAHCQZQHO-MTJSOVHGSA-N 395.488 3.221 50 40 GGGB CCOc1c(Br)cc(/C=N\NC(=O)c2ccncc2)cc1OC 38365940 ZQWUNRARMPVGNK-GRSHGNNSSA-N 378.226 3.015 50 40 GGGB CCN(CC(=O)NC(C)(C)C)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C 96297603 DTHBRQHXGFGGCG-YBFXNURJSA-N 386.540 3.431 50 40 GGGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cccc(Br)c1 409256940 MWMGXWGTDBARNY-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB CCN(CC)C(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CCCC2)c2ccccc21 890562 DDUXDIDFPPDGES-GHRIWEEISA-N 392.503 3.475 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 3059254 JNPYLXHNZODXAC-FSJBWODESA-N 391.349 3.359 50 40 GGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccn1-c1ccc(C(=O)O)cc1 4677701 DORNKELBEXTPDD-WSDLNYQXSA-N 397.818 3.358 50 40 GGGB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(SC#N)cc3)C2=O)c1 4797920 QYXNQVZVBSPKID-YBEGLDIGSA-N 378.413 3.147 50 40 GGGB COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C(/C)c1ccc(Cl)cc1 4827038 FONYAPQVZHTNOP-FDTILGBMSA-N 385.851 3.018 50 40 GGGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)cc1 4948938 RZTGRZIFFOBMSZ-KRWDZBQOSA-N 393.468 3.406 50 40 GGGB COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(Cl)cc1 6457860 RQMJRVFNRGUYJI-UHFFFAOYSA-N 383.629 3.186 50 40 GGGB N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 6970373 SZJUHDMNZOFNEH-WJDWOHSUSA-N 380.360 3.404 50 40 GGGB O=C(CN1C(=O)CCOc2ccccc21)NNc1ccc(Cl)c(Cl)c1 32743670 UXMRRFJGCIBJDY-UHFFFAOYSA-N 380.231 3.252 50 40 GGGB Cc1nc2ccccc2c(=O)n1CC(=O)NN=C(c1ccccc1)c1ccccc1 58378073 YIHJASHSSGHSAT-UHFFFAOYSA-N 396.450 3.274 50 40 GGGB CCn1cc(Br)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n1 253399781 JYDUJCDGBIMCLO-CYBMUJFWSA-N 391.269 3.116 50 40 GGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 408608613 HWSPLQGZESMEDC-OFJBCHTGSA-N 387.867 3.284 50 40 GGGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 408795906 WPBATVODOLOAJD-LICLKQGHSA-N 394.427 3.410 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O 408849696 YAEVANUMGWLLSP-WUXMJOGZSA-N 398.331 3.153 50 40 GGGB CN(C)NC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408981073 YVGCYWPDPGFIPM-UHFFFAOYSA-N 385.431 3.352 50 40 GGGB Cc1cccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 4852682 JBNASWYQSCCXNQ-LBPRGKRZSA-N 397.258 3.296 50 40 GGGB CCOC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1 6955146 IJVOQAHDRKIPPM-LBPRGKRZSA-N 395.278 3.084 50 40 GGGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCl)OCc1ccccc1 3666182 ZUQJYRMHWORXSY-IBGZPJMESA-N 399.878 3.360 50 40 GGGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1O)C(=O)NCCc1c[nH]c2ccccc12 408956800 YNIQMKHWTCOHMD-DHDCSXOGSA-N 376.372 3.048 50 40 GGGB O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1ccc2c(c1)OCO2 6084198 UEEUXRNQXYCFQW-UHFFFAOYSA-N 388.423 3.399 50 40 GGGB COc1ccc(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1 5744517 CCTHDQPNAITZOG-LVWGJNHUSA-N 399.450 3.419 50 40 GGGB O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2ncccn2)o1 409144528 KNILONXWCHDXMS-FBHDLOMBSA-N 388.836 3.403 50 40 GGGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)cc2c1 409187339 PCSLDOUKKNUXSY-JMIUGGIZSA-N 399.359 3.218 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccco1 705655 ZYYXIXLCRBNEET-WSDLNYQXSA-N 382.347 3.410 50 40 GGGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1O 3148159 XMWQNWHGKPEEJB-YBFXNURJSA-N 377.238 3.246 50 40 GGGB C/C(N)=C(\C#N)C(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 104872062 VQROWBXZEKORSW-VKAVYKQESA-N 390.395 3.494 50 40 GGGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 9232160 YJSPIFUEWHDQSK-YDZHTSKRSA-N 387.867 3.285 50 40 GGGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc2c1OCCO2 14020875 LQORAKVXWPLGLR-OVCLIPMQSA-N 391.832 3.458 50 40 GGGB CCn1c(SCC(=O)N/N=C/c2ccc(OC)cc2OC)nc2ccccc21 8654251 ORLLPVIQYAIYTE-CIAFOILYSA-N 398.488 3.316 50 40 GGGB O=C(CCc1ccccc1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 408958640 ZQYUSAOPZLZDGC-VCHYOVAHSA-N 392.209 3.146 50 40 GGGB NC(=O)CCn1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c2ccccc21 408599227 QGPICYABEVSENU-AFUMVMLFSA-N 384.439 3.434 50 40 GGGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)N2C(=N1)SC(C#N)=C2N 408603388 GJSTWEZGQZCBPB-KRWDZBQOSA-N 398.488 3.423 50 40 GGGB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NNC(=O)C12CC3CC(CC(C3)C1)C2 100149314 ASEJGYZABMVPBY-XDHOZWIPSA-N 396.466 3.269 50 40 GGGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCCC1 59459703 NQZTWKGDWABLGS-XQNSMLJCSA-N 379.460 3.118 50 40 GGGB CC[C@@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 2750280 JFUUPMKFCSMGLK-BTZNOAQDSA-N 391.855 3.404 50 40 GGGB CCOC(=O)c1cccc(N/C=C(\C#N)S(=O)(=O)c2ccc(OC)cc2)c1 6673074 SXLFOJNSYARXDP-QGOAFFKASA-N 386.429 3.123 50 40 GGGB CCOc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1)OCO2 408541902 GLZRLDJNICIYBT-NSIKDUERSA-N 380.356 3.058 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)O 408984637 ITLWFZGFHJZDGZ-MHWRWJLKSA-N 380.400 3.403 50 40 GGGB C#CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Br 409146993 UVCXLOGPTADIFQ-KRWDZBQOSA-N 399.244 3.276 50 40 GGGB CCOc1cc(C(=O)NN)cc(Br)c1OCc1ccc(F)cc1 216837099 SFEVIORLPFIOJA-UHFFFAOYSA-N 383.217 3.169 50 40 GGGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(O)c(Br)c2)cc1 193794884 IXZHAMGEJSSNTH-ZSOIEALJSA-N 387.233 3.387 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCC#N 6441229 OZBXLZBXJWVSRP-RGVLZGJSSA-N 388.221 3.124 50 40 GGGB COC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 1791163 UNEBZYCEZPRENN-OFZPYADDSA-N 378.340 3.294 50 40 GGGB O=C(c1ccccc1)N1CCC2(CC1)CO[C@@H](CI)C2 2056226509 SNVQMMBRVPOEBM-CQSZACIVSA-N 385.245 3.133 50 40 GGGB O=C(N/N=C/c1cccc(O)c1)c1ccn(Cc2cccc(Br)c2)n1 1081908 MAGDBUGJLMVBEM-RGVLZGJSSA-N 399.248 3.163 50 40 GGGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 1296652 OQCRINMBFCDGEC-QPHXDFOYSA-N 396.834 3.124 50 40 GGGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)cc1 1319795 ZOLPHCOEKOVSHI-LVCXCXRVSA-N 386.448 3.452 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)c(C)c1 3090567 MNYSOAXGKVKGAI-DJKKODMXSA-N 377.238 3.301 50 40 GGGB Cc1cc(/C=N/NC(=O)CSc2ncccn2)c(C)n1-c1ccccc1F 4676592 LSSUTVYLLNZGRN-FOKLQQMPSA-N 383.452 3.266 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(NC(C)=O)c1 5176051 ATXICQAMAHNNAI-VXLYETTFSA-N 390.237 3.180 50 40 GGGB O=C(Cc1ccc(F)cc1)NNC(=O)c1cccnc1Sc1ccccc1 12729247 CIIQQVDGTQUUSN-UHFFFAOYSA-N 381.432 3.376 50 40 GGGB OC[C@@H](Cl)COc1ccc(Cc2ccc(OC[C@H](Cl)CO)cc2)cc1 77273633 VAFXFEBPCUMOIF-IAGOWNOFSA-N 385.287 3.234 50 40 GGGB in-vitro CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)c(Cl)c1 408707094 GVPXMIQLOZEEFA-ZVBGSRNCSA-N 379.247 3.242 50 40 GGGB Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccco3)cc2)c1 409067808 ZPTXXIGVVTUXTE-XKZIYDEJSA-N 377.400 3.369 50 40 GGGB O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C/c1ccc([N+](=O)[O-])o1 2134258 GXFVBSCXISVCHH-QGMBQPNBSA-N 399.190 3.364 50 40 GGGB O=C1Nc2ccccc2/C1=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 5768714 OWZGBZQUCNOCEN-LJQANCHMSA-N 381.435 3.465 50 40 GGGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(I)o1 408795417 CCJXBUMOIDHOLI-PFVNGKLPSA-N 384.217 3.486 50 40 GGGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCCO2 5944207 HMTDJBDKOLFMSH-KEBDBYFISA-N 376.865 3.495 50 40 GGGB CCOc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccncc2)cc1 32063828 QQUAFMBPLYRRQG-UHFFFAOYSA-N 391.427 3.134 50 40 GGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)ccc1O 8382648 SIAIBXBYDSDFLG-MRXNPFEDSA-N 378.363 3.148 50 40 GGGB COc1cccc(/C=N/NC(=O)CSc2cccc3cccnc23)c1OC 3211969 XLTCYTBTBQXKDB-WSDLNYQXSA-N 381.457 3.494 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@]12C(=O)Nc1ccc(Cl)cc12 846308 RUNHHNDGVIUTSM-FQEVSTJZSA-N 389.802 3.055 50 40 GGGB CCOC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2ccccn2c1=O 2412695 GLWOFKTYWPTJSW-NTCAYCPXSA-N 375.384 3.265 50 40 GGGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1C 2676234 HJRGHPFRWYBVBO-UHFFFAOYSA-N 397.258 3.215 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1cccs1 3575157 AMYWMUAEZYGTFL-CIAFOILYSA-N 396.424 3.445 50 40 GGGB O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccncc1 5173748 MHNXJRBLZXJWJE-UHFFFAOYSA-N 389.440 3.071 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1O 96487971 TZPFNUCBSOKAFK-JXAWBTAJSA-N 377.444 3.047 50 40 GGGB Cc1cc(I)cc(/C=N/NC(=O)OC(C)(C)C)c1O 2296243 RLNUPLKGSZZWEW-VIZOYTHASA-N 376.194 3.164 50 40 GGGB CCNC(=O)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 64913900 RFSNMRPHBMQWJO-MEBXXKOGSA-N 388.899 3.408 50 40 GGGB O=C(N/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 32124989 OGHKBVFHKVVYLR-ZDLGFXPLSA-N 379.825 3.097 50 40 GGGB COc1cccc(/C(C)=N/NC(=O)COc2cccc(Br)c2)c1 5163150 DPHPTGHULFBRGQ-XDHOZWIPSA-N 377.238 3.377 50 40 GGGB COc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccccc1C 657752 YYMRXDMVZVJCLQ-AWQFTUOYSA-N 392.253 3.347 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)cc2OC)cc1 671881 JTZYYNYVOUGGGU-VXLYETTFSA-N 393.237 3.239 50 40 GGGB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 2166117 UBWIRJAAUMMXNR-UBBNLVHISA-N 380.492 3.047 50 40 GGGB O=C(COc1ccc(/C=N\NC(=O)c2ccco2)cc1)Nc1ccc(F)cc1 33305312 NIKHLGWMDUYKJU-UUYOSTAYSA-N 381.363 3.200 50 40 GGGB COc1ccc(F)c(C(=O)NNC(=O)CSc2ccc(Cl)cc2)c1F 89435020 UQIOXFCSEJZACT-UHFFFAOYSA-N 386.807 3.180 50 40 GGGB O=C(NN[C@@H]1CC(c2ccccc2)=NN1C(=O)c1ccccc1)c1ccccc1 870186 ZQMCAAYWFGWLBJ-NRFANRHFSA-N 384.439 3.198 50 40 GGGB O=C(COc1ccc(Cl)cc1Br)NNC(=O)C1CCCCC1 1097879 BVRKUFAXAULYHU-UHFFFAOYSA-N 389.677 3.209 50 40 GGGB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NNC(=O)c1ccc(Cl)nc1 58382271 CLSPECCNUKRIGS-SOFGYWHQSA-N 387.226 3.411 50 40 GGGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1 408971786 LDOIGNXBZAZBSC-WSDLNYQXSA-N 396.399 3.147 50 40 GGGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2nnc(C)s2)c([N+](=O)[O-])c1 408988084 CMGKCKUXAUNHOU-IZZDOVSWSA-N 376.419 3.376 50 40 GGGB COc1c(Br)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 409147545 MRUZFKFIIQXOJF-LBPRGKRZSA-N 395.644 3.361 50 40 GGGB C=CCOc1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1Br 408810809 UVVTYULQXBMUKX-GXDHUFHOSA-N 379.254 3.074 50 40 GGGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 408726462 MJLKIKZJHBXJPZ-JJIBRWJFSA-N 395.503 3.462 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(O)c([N+](=O)[O-])c1 409145221 NAVUXUPHRFPOGM-CNHKJKLMSA-N 384.175 3.380 50 40 GGGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC)c1OC 657711 PNYPCNJSSWYUSE-VXLYETTFSA-N 393.237 3.239 50 40 GGGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cc(Cl)ccc1O 993713 CVCYOPYQCOZKSE-UFWORHAWSA-N 382.645 3.370 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(OC)c1 1421674 KLYNRAPRRMBWLI-LPYMAVHISA-N 383.448 3.452 50 40 GGGB CCc1nc(N2CCN(C(=O)CCCl)CC2)c2c3c(sc2n1)CCCC3 4218015 PWBGHKVNMYUGEP-UHFFFAOYSA-N 392.956 3.410 50 40 GGGB O=C(c1ccccc1)[C@@H](Br)[C@H](C(=O)O)[C@@H](c1ccccc1)[N+](=O)[O-] 4769320 LQPOHKIFSNKCPV-SOUVJXGZSA-N 392.205 3.352 50 40 GGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 5772179 LCSYFONQQOVXFL-UDWIEESQSA-N 394.343 3.456 50 40 GGGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2OC)[C@H](C#N)C(O)=N1 9089174 PYYWIGGYRPBYEC-SUMWQHHRSA-N 385.445 3.310 50 40 GGGB CCOc1ccc(NC(=O)NNC(=O)CSCc2ccc(F)cc2)cc1 17077186 BRPZGTRSZQRSKG-UHFFFAOYSA-N 377.441 3.311 50 40 GGGB Cc1cc2c(c(=O)n1C)[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 20086804 NLUJATTUBQPIKU-OAQYLSRUSA-N 399.450 3.491 50 40 GGGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCC3)c2C)c1 58911554 GAECTGQYFVPPCD-YDZHTSKRSA-N 380.492 3.220 50 40 GGGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 59377641 RDPHDBQZCZMLSR-XDHOZWIPSA-N 385.380 3.113 50 40 GGGB CCOC(=O)c1ccc(N/C=C(/C#N)S(=O)(=O)c2ccc(OC)cc2)cc1 100676518 SFLCAUBGZLWFMX-AQTBWJFISA-N 386.429 3.123 50 40 GGGB CC(C)COc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1Br 408601202 IZQBUNLQQKVVFR-OQLLNIDSSA-N 393.281 3.250 50 40 GGGB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)N2C(=N1)SC(C#N)=C2N 408606143 ORCTYIOTTZIEIA-QGZVFWFLSA-N 398.488 3.423 50 40 GGGB CC(C)c1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408923314 VTRBFWQWMMAOCF-ZFMLPXDISA-N 387.505 3.115 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(N)=O 409223687 HPJGJAWCEHCYGF-VGOFMYFVSA-N 399.834 3.067 50 40 GGGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(C)=O 3075048 CIUALAGKXUGPCV-ZMOGYAJESA-N 391.427 3.336 50 40 GGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1 1453604 PHPVZGWKYVCGHF-LFIBNONCSA-N 380.400 3.426 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccccc1Br 3612532 XQGACCXSWWJOEM-UHFFFAOYSA-N 383.629 3.186 50 40 GGGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)o1 409149276 AIESTPCZNQLRQB-MRUVXERFSA-N 379.372 3.347 50 40 GGGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 20885096 GHPKPUIZDUHCEC-CIAFOILYSA-N 378.388 3.472 50 40 GGGB Cn1cc(C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)c2ccccc21 5753616 OLJYINSFWGLQQP-UHFFFAOYSA-N 397.232 3.027 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1Br 710226 XJDWMLIWFUYQLH-VXLYETTFSA-N 393.237 3.239 50 40 GGGB CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccc(Cl)c4)[C@H]3[C@H]1CC2 105041798 SRXGHYFYLFKBSY-AXUOBQJMSA-N 375.863 3.226 50 40 GGGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 4852629 OZDNHASESQRXTP-UHFFFAOYSA-N 376.884 3.391 50 40 GGGB COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccc(C)nc3)cc2)cc1 44950294 XKYBOVVDDIVMQH-CFRMEGHHSA-N 389.411 3.382 50 40 GGGB CC(C)N1CC=C2[C@H](C1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)C2(C#N)C#N 33936206 UTGGDQYCWZSUMF-PKOBYXMFSA-N 377.879 3.474 50 40 GGGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OC)c1O 8109442 MGUNWZSTWZHEKI-DJKKODMXSA-N 380.853 3.305 50 40 GGGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 3626840 FYYYVLDQOHHBNT-HXUWFJFHSA-N 392.503 3.464 50 40 GGGB Cc1cccc(OCC(=O)N/N=C\c2cc(Br)ccc2O)c1C 30838750 AYIFDPFWSXIYIB-OCKHKDLRSA-N 377.238 3.301 50 40 GGGB COc1ccc([C@H]2CC(=O)N3CN(Cc4cccnc4)CSC3=C2C#N)cc1 20347990 NYACCXDRGFSQFM-GOSISDBHSA-N 392.484 3.305 50 40 GGGB CCOC(=O)c1[nH]c2c(c1C)C(Cl)=C(/C=N/NC(=O)c1ccncc1)CC2 846116 YIFNOLOGASZSKE-LSHDLFTRSA-N 386.839 3.207 50 40 GGGB O=C(Cc1cccc2ccccc12)NNC(=O)c1cnn(Cc2ccccc2)c1 12641485 UUEIMBHVRRYMMS-UHFFFAOYSA-N 384.439 3.088 50 40 GGGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 59515433 ASZCDIVDTHFDTD-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB CCCOc1ccc(C(=O)NNC(=O)CCc2c[nH]c3ccccc23)cc1OC 6599882 CDACVTADEAKXSV-UHFFFAOYSA-N 395.459 3.359 50 40 GGGB Cc1[nH]/c(=N/C(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)sc1C 4480551 XGFAFRIQQSPSTB-HPEXNQPKSA-N 385.327 3.279 50 40 GGGB COc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccc(F)cc1 6180879 NMQFCMQAOCTECJ-DNTJNYDQSA-N 396.216 3.178 50 40 GGGB COc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 840417 JOVZWQKHQGKUQS-LLVKDONJSA-N 397.258 3.159 50 40 GGGB Cc1nnc(SCC(=O)N/N=C/c2cc(Cl)c(O)c(Cl)c2)s1 2321525 CGILZBXEWKCAQH-SYZQJQIISA-N 377.278 3.101 50 40 GGGB C#CCn1cc(/C=N/NC(=O)COc2cccc3cccnc23)c2ccccc21 2376662 LONDBUMELLWCNR-AFUMVMLFSA-N 382.423 3.352 50 40 GGGB Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 408772816 RQNSGURUSFUGLI-MTJSOVHGSA-N 378.388 3.472 50 40 GGGB Cc1n[nH]c2c1[C@@H](c1ccc(COc3ccccc3[N+](=O)[O-])o1)C(C#N)=C(N)O2 5728508 DRZXQJAGXHIBQY-QGZVFWFLSA-N 393.359 3.017 50 40 GGGB CC/C(=N\NC(=O)c1cc(OC)c(OC)c(OC)c1)c1cc(F)ccc1O 57884565 MBTMQIGELQEGGK-KGENOOAVSA-N 376.384 3.101 50 40 GGGB CN(C)c1ccc(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 787761 JOVNVNPZVQYSAX-KGENOOAVSA-N 377.404 3.215 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)O 16688947 DLBLPSNYIFRCQU-YBEGLDIGSA-N 380.400 3.403 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccnc2ccccc12 20086638 DFOPEEMTTOGWLD-GOSISDBHSA-N 379.375 3.376 50 40 GGGB O=C(OC(CCl)CCl)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102145583 DBLKCCYWADWLPI-GVAFMPQTSA-N 396.270 3.225 50 40 GGGB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N/N=C/c3cnn(C)c3)sc2n1 78549408 VWVPCLBQJHPWJP-AWQFTUOYSA-N 378.461 3.201 50 40 GGGB Cc1cc(Br)ccc1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 4700089 LZZHBQANBRULJH-GIJQJNRQSA-N 392.209 3.195 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)c1sc(N)c(C#N)c1C 408723732 GEYMOBYGQMJDPJ-FBCYGCLPSA-N 393.266 3.045 50 40 GGGB COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)c1 408841204 JTACEMVAJHTEJC-LPYMAVHISA-N 384.432 3.180 50 40 GGGB COc1cc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc(OC)c1OC 716741 PSMKMTDKCSEPNI-KXBFYZLASA-N 390.443 3.306 50 40 GGGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl 840358 NANDAAJVEBCYSI-UHFFFAOYSA-N 398.202 3.050 50 40 GGGB COC(=O)[C@@H]1C(=O)NC(SCc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1 409125832 FJXOUFOXGYQTOX-MSOLQXFVSA-N 396.443 3.497 50 40 GGGB CN1[C@H]2CC[C@@H]1C=C1C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]12 36383896 VQFVQSKBUXDLQC-FCLVOEFKSA-N 375.863 3.226 50 40 GGGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)C(Oc1ccccc1)Oc1ccccc1 1085438 PGVJQYZYUKUQKW-DEDYPNTBSA-N 381.344 3.122 50 40 GGGB N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 4623647 LJXOMIDFXXXSCU-QHCPKHFHSA-N 382.423 3.098 50 40 GGGB COc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 832008 KNWNNWPOABYBOY-SNVBAGLBSA-N 383.231 3.231 50 40 GGGB COC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O 2420905 MURXSXZKIZAMAX-LFIBNONCSA-N 389.411 3.492 50 40 GGGB CCOc1ccc(OCCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 17157952 FIPFQJBWCBNASN-UHFFFAOYSA-N 386.492 3.218 50 40 GGGB C[C@H](OCCCNC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccccc1 32795536 NEBMTXSTZXLPTA-HNNXBMFYSA-N 380.448 3.280 50 40 GGGB O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NNc1cccc(Cl)c1 46081030 CULCFAVLUSWVIY-UHFFFAOYSA-N 390.915 3.441 50 40 GGGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O 83321727 LGNXISQYHPCHDK-WSVATBPTSA-N 384.175 3.380 50 40 GGGB C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc2c(c1)CC(=O)N2 98054881 PPGXWODALBZVOT-SSDVNMTOSA-N 396.497 3.423 50 40 GGGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 408809895 IEPQNBYRYDTDQC-MLPAPPSSSA-N 387.779 3.186 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2C)cc1C 409071776 LIUGJWVYHYVNQO-ZVHZXABRSA-N 380.492 3.011 50 40 GGGB O=C(NNC(=O)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1Cl 840344 ZSOKUUHMKJUXSV-UHFFFAOYSA-N 398.600 3.086 50 40 GGGB C#CCOc1ccc2ccccc2c1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 108072103 WTOXICVWJDMWND-HAHDFKILSA-N 387.395 3.453 50 40 GGGB CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 26967702 STWUYMXSXPPTFS-LFIBNONCSA-N 387.399 3.491 50 40 GGGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 59434117 SFQVWHQOASNJKG-LPYMAVHISA-N 381.432 3.076 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCC(C)C)c2C)cc1C 58913921 COTGQQKHIMXWHN-CFRMEGHHSA-N 382.508 3.323 50 40 GGGB CCOC(=O)c1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccccc2F)cc1 13943221 NBKDOARLZXXGNH-YDZHTSKRSA-N 385.395 3.137 50 40 GGGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(SC(F)(F)F)cc1 7957570 PIFMGWNCTFBFAF-UHFFFAOYSA-N 384.335 3.102 50 40 GGGB O=C(NNC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 409224981 NUDFHOUKCPIXOT-UHFFFAOYSA-N 383.791 3.260 50 40 GGGB C[C@H](NC(=O)COc1ccc(/C=N\NC(=O)c2ccco2)cc1)c1ccccc1 58883149 HZMIUYBAUHDQKN-ZGWJWYQGSA-N 391.427 3.300 50 40 GGGB Cc1ccc(Oc2ccc(OCC(=O)NNC(=O)c3ccccn3)cc2)cc1 25385997 MMDOTXQADRGGAE-UHFFFAOYSA-N 377.400 3.022 50 40 GGGB C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)C[C@H](C)c1ccccc1 8984309 KLYBXCSOJMEAMU-KBPBESRZSA-N 382.489 3.438 50 40 GGGB COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] 408947822 DGAMKEWHXYCGHA-YBEGLDIGSA-N 390.399 3.351 50 40 GGGB COCCNC(=O)/C(C#N)=C/c1cn(CCOc2ccccc2)c2ccccc12 5007423 XRFLUUOBKYWOSN-OBGWFSINSA-N 389.455 3.390 50 40 GGGB CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2C)C(=O)N1c1ccccc1 2369537 FPTLHLFNPXMMIG-KOXKPCSVSA-N 377.469 3.167 50 40 GGGB COC(=O)[C@@H](Br)[C@H](Br)c1ccc(OC)c(OC)c1 1673139 VUQXQDMEVQHEDS-MNOVXSKESA-N 382.048 3.076 50 40 GGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1cc2cc([N+](=O)[O-])ccc2s1 109132789 HYILHGHZENFAKV-CAOOACKPSA-N 386.345 3.187 50 40 GGGB Cc1nc2cc(F)ccc2cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 12513625 LROGHYPGYLDISJ-UHFFFAOYSA-N 376.391 3.249 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)COc2ccccc2)cc1Br 20244006 NJQYTSHAIWLBDK-XDHOZWIPSA-N 377.238 3.377 50 40 GGGB COc1cccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N32)c1 12276208 HDIIJLLLBVZTDC-IIBYNOLFSA-N 396.443 3.477 50 40 GGGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1 409327315 SDNOCMUXBJQQKU-KQWNVCNZSA-N 378.428 3.426 50 40 GGGB CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1 4199158 JYKFSUJBZYACHC-LSHDLFTRSA-N 394.258 3.159 50 40 GGGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408804403 FOGVWMNMLVGSLQ-LFIBNONCSA-N 380.400 3.426 50 40 GGGB C/C(=N/NC(=O)COc1ccccc1C)c1c(C)nn(-c2ccccc2)c1O 408950783 HPIFGVAMKKXHFM-JCMHNJIXSA-N 378.432 3.114 50 40 GGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CNc2ccccc2)cc1OCC 409388692 WJFOBFYRZISKNX-YDZHTSKRSA-N 385.851 3.313 50 40 GGGB COc1cccc(/C=N/NC(N)=O)c1OCc1ccc(Br)cc1 41223871 SNKAAOFSVKOCTG-DJKKODMXSA-N 378.226 3.039 50 40 GGGB COc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1OC(C)C 44395349 JUTLHVXOJLXOGF-KEBDBYFISA-N 388.493 3.132 50 40 GGGB COC(=O)c1ccc(Cl)cc1N/C=C(\C#N)S(=O)(=O)c1ccccc1 11692048 CLPCNCXRQXJPEC-SDNWHVSQSA-N 376.821 3.377 50 40 GGGB CCN1c2ccccc2C2=C([C@H](c3ccc(F)cc3)C(C#N)=C(N)O2)S1(=O)=O 20558387 ITVGRVJQCLGZHA-QGZVFWFLSA-N 397.431 3.172 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc(I)c1 705794 WYQHPCLLFNMGER-AWEZNQCLSA-N 392.196 3.106 50 40 GGGB C[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 2372808 LKVWYLGLMUIGTB-XXADUYMVSA-N 381.432 3.346 50 40 GGGB O=C(N/N=C/C(Cl)(Cl)Cl)c1sccc1I 2568766 DFMJWJQCQLWDIH-KGVSQERTSA-N 397.452 3.439 50 40 GGGB Cc1cc(Cl)ccc1OCC(=O)N/N=C1\C(=O)Nc2ccc(Cl)cc21 5093800 FPZXXZDKQFOPRY-UHFFFAOYSA-N 378.215 3.153 50 40 GGGB C/C(=N\NC(=O)CCCCC(=O)N/N=C(\C)c1ccc(C)o1)c1ccc(C)o1 5363996 UXYROKCQSCDKJR-YHARCJFQSA-N 386.452 3.430 50 40 GGGB O=C(Cc1ccccc1)NNC(=O)c1cccnc1-c1nc2ccccc2s1 6719775 DWMNMFWRHLIDRO-UHFFFAOYSA-N 388.452 3.362 50 40 GGGB N#C/C(=C/c1ccc(SCCO)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 6862847 QREKGPMWGBMSPB-UVTDQMKNSA-N 375.450 3.035 50 40 GGGB CCOc1ccc(Nc2ncccc2C(=O)NNc2nc(C)cc(C)n2)cc1 12538252 NGHBJQRBHUACPD-UHFFFAOYSA-N 378.436 3.388 50 40 GGGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccc(Br)c2)c1O 36245321 VSYGQUBWXLOIKF-CAOOACKPSA-N 378.182 3.135 50 40 GGGB C/C(=N\NC(=O)CNc1ccc(I)cc1)c1ccccc1 59720811 QWKFFFSHIOZVRR-XDHOZWIPSA-N 393.228 3.244 50 40 GGGB O=C(Nc1ccc2ccccc2c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408684104 JNLBAXZDWCVSRI-KPLDXPABSA-N 386.245 3.349 50 40 GGGB COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3Cl)CC2)cc1 409006110 MCHYWUNCJXKNBP-OEAKJJBVSA-N 399.878 3.351 50 40 GGGB CCOc1ccccc1[C@H]1C(C#N)=C(N)N(CCOC)C2=C1C(=O)CC(C)(C)C2 409129886 VJFCJKWMEIMPMM-FQEVSTJZSA-N 395.503 3.468 50 40 GGGB N#C/C(=C\c1cc(Cl)ccc1OCC(N)=O)C(=O)Nc1ccccc1Cl 409224789 LVAHGBHGKHMGOQ-KPKJPENVSA-N 390.226 3.403 50 40 GGGB COc1ccc(CC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 840416 JOVZWQKHQGKUQS-NSHDSACASA-N 397.258 3.159 50 40 GGGB COC(=O)[C@H](Br)[C@@H](Br)c1ccc(OC)c(OC)c1 1673140 VUQXQDMEVQHEDS-WDEREUQCSA-N 382.048 3.076 50 40 GGGB C/C(=N\NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(C#N)cc1 12648314 WVFSOIJWYKNFCZ-BRJLIKDPSA-N 385.349 3.467 50 40 GGGB CC(C)[C@H](Br)C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408534945 RUMBUBVXFYWIDE-AWEZNQCLSA-N 381.274 3.227 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(O)c(OCC)c1)c1ccccc1 408980940 UMZBLGCJEGJLNJ-NIZGNDASSA-N 399.447 3.119 50 40 GGGB CCc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)cc1 409025561 SGFRUUSGOAVZHV-UHFFFAOYSA-N 379.526 3.232 50 40 GGGB Cc1ccc(S(=O)(=O)/C(C#N)=C/[C-](C#N)S(=O)(=O)c2ccc(C)cc2)cc1 71789905 MDLAAIDYFDJSCK-WOJGMQOQSA-N 399.473 3.014 50 40 GGGB O=C1Nc2c(Br)cccc2/C1=N/NC(=O)c1ccccc1Cl 711486 HBESEEMYXYWGAQ-UHFFFAOYSA-N 378.613 3.189 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C)cc1 832143 HFZRTZHVVMQDAG-VXLYETTFSA-N 377.238 3.295 50 40 GGGB COc1ccc(NCC(=O)NNC(=O)c2ccccc2Cc2ccccc2)cc1 12534563 CFKDZVFEHZVOBK-UHFFFAOYSA-N 389.455 3.159 50 40 GGGB Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc(I)cc1 3226053 JAMUPPRMNJNXRB-MDWZMJQESA-N 391.212 3.091 50 40 GGGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(C)=O)cc1 408758709 PQCZTIQXUQBGHY-VXLYETTFSA-N 391.221 3.147 50 40 GGGB C=CC(=O)Nc1cccc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c1 1546320086 IDCSGHSQPYQBGF-UHFFFAOYSA-N 378.215 3.193 50 40 GGGB COC(=O)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1 31857568 CODQPWNZOWACQQ-GRSHGNNSSA-N 385.470 3.325 50 40 GGGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccccc1Br 829231 VPBNCMRWELJVET-UHFFFAOYSA-N 399.244 3.442 50 40 GGGB O=C(N/N=C(/c1ccccc1)[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 4697704 CBDIJWPYIBDWMZ-VZFXBBDVSA-N 375.384 3.463 50 40 GGGB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1 112122965 HHSLTGMLEQDYEM-ATVHPVEESA-N 391.456 3.227 50 40 GGGB Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N3CCCCC3)c3ccccc32)cc1 2241071 WZENMMXWRYICBW-MRCUWXFGSA-N 398.466 3.432 50 40 GGGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)cc1 409125654 DPVOOGMCOWXDDX-HNNXBMFYSA-N 397.456 3.389 50 40 GGGB O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1106434 DLYZSEHRPHJYKY-FYJGNVAPSA-N 398.419 3.144 50 40 GGGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)c1 1098848 LXLLTORAGZTNGE-ZVHZXABRSA-N 388.427 3.171 50 40 GGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(SC)cc1 4502837 FUCUSQHBDNLAMC-HNNXBMFYSA-N 386.502 3.356 50 40 GGGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c1 2201586 XZANWWLBZVSWQS-NRFANRHFSA-N 399.450 3.432 50 40 GGGB O=C(NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc([N+](=O)[O-])cc1 3768013 RLMGCCZTSWUQBJ-UHFFFAOYSA-N 385.361 3.383 50 40 GGGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C(F)(F)F)cc3)[C@H]2C1 4473501 QWUAEBAKFDUVOW-ROUUACIJSA-N 397.404 3.451 50 40 GGGB O=C(CCc1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 5602965 QASYTPOBTLLTQP-VXLYETTFSA-N 375.222 3.261 50 40 GGGB COc1cc(OC)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(OC)c1 409229706 TYPKACKGCYMKEH-ATVHPVEESA-N 380.444 3.368 50 40 GGGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccco2)cc1 33738495 XXECQSOGUZIDAN-XKZIYDEJSA-N 393.399 3.070 50 40 GGGB O=C(CCl)N(c1ccc(Oc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 40177613 LZVCMHHRUQFWOQ-HNNXBMFYSA-N 379.865 3.238 50 40 GGGB CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 674625 NQVCBOTXZDDCDZ-UHFFFAOYSA-N 397.475 3.307 50 40 GGGB O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1C1CCCCC1 2311485 BUNAMEKZEQPHFL-USZNOCQGSA-N 393.119 3.241 50 40 GGGB COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)c1OC 2391541 RUZJFZFQINWJJO-LPYMAVHISA-N 393.399 3.313 50 40 GGGB O=C(CCn1c2ccccc2c2ccccc21)NNC(=S)NCc1ccco1 4859588 XMYPTVXYIKBMPT-UHFFFAOYSA-N 392.484 3.473 50 40 GGGB C[C@@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)N(C)Cc1ccccc1 96514158 PLCIYDOVNIAKTJ-LCJWNIEWSA-N 391.471 3.250 50 40 GGGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)NC[C@@H]1CCCO1 408735460 SFTFXOAJILQGPR-PZDOZLBDSA-N 387.439 3.339 50 40 GGGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408861251 AYFOUSVMOIHJNR-CIAFOILYSA-N 399.403 3.079 50 40 GGGB CCOc1cc2c(cc1/C=N/NC(=O)c1ccc(-n3cccc3)cc1)OCO2 409106756 OULISVWFTIFMQV-LPYMAVHISA-N 377.400 3.369 50 40 GGGB CCCOc1c(Br)cc(/C=N/NC(=O)c2cccnc2)cc1OC 3335299 ZDZGUOLFCICBDI-KEBDBYFISA-N 392.253 3.405 50 40 GGGB Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(c3ccccc3)CC2)cc1C 5488823 ORIRMYYDWTYCRQ-LTGZKZEYSA-N 381.501 3.264 50 40 GGGB Cc1cc(C)c(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1 6942978 AOZRUNNEHBHEIB-HYARGMPZSA-N 399.516 3.160 50 40 GGGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(O)c(OCC)c1 5953834 BALYYUWANRWQBN-SRZZPIQSSA-N 392.839 3.372 50 40 GGGB Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1 15934098 FPTZPYFKLNHBRE-UHFFFAOYSA-N 377.326 3.128 50 40 GGGB Cc1ccc(C)c(OCC(=O)N/N=C\c2ccc(I)o2)c1 9553805 KLEQJVUXJAHTFO-IUXPMGMMSA-N 398.200 3.030 50 40 GGGB COc1cccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2O[C@H](C)C(=O)O)c1 409242975 QCYIOHQREDNJNV-NWFCWYBLSA-N 396.399 3.101 50 40 GGGB CCOc1cc2c(cc1/C=N/NC(=O)COc1cccc3ccccc13)OCO2 409104409 ZFQIWHPESVDLAQ-FSJBWODESA-N 392.411 3.496 50 40 GGGB C[C@H](Oc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1)C(=O)O 2332621 KISOJBQQURWQLR-FVQJWRHTSA-N 376.412 3.385 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccccc1 5247623 TTXOLVYQBSSEFD-LPYMAVHISA-N 392.415 3.100 50 40 GGGB CC(C)/C(=N\NC(=O)C(=O)N/N=C(/c1ccccc1)C(C)C)c1ccccc1 5632681 BZRVFLAXGOVPLZ-BLVCXSLXSA-N 378.476 3.339 50 40 GGGB O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1ccccc1 6680341 CTMOORJHJLZVLO-FIQHERPVSA-N 387.071 3.113 50 40 GGGB COc1ccc(Br)cc1/C=N\NC(=O)[C@@H]1OCCc2ccccc21 26503716 BTWIFXBZOAPOOT-LELXDKESSA-N 389.249 3.222 50 40 GGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 36024681 LWPHQWMHYOBRIU-CNHKJKLMSA-N 384.175 3.136 50 40 GGGB CC/C(=N/NC(=O)c1ccncc1)c1ccc(I)cc1 4897321 KLIPAAGRGJJNHS-JXAWBTAJSA-N 379.201 3.230 50 40 GGGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)COc1ccccc1 100522897 LWRHNLMRDYPQSJ-LFVJCYFKSA-N 379.460 3.465 50 40 GGGB O=C(Cl)Cc1ccc(-c2nn3c(CC(=O)Cl)nnc3s2)cc1Cl 100677329 MKKROPAROJTFNB-UHFFFAOYSA-N 389.651 3.122 50 40 GGGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2O)cc1 409265933 WYSFVECHPFFUAO-CIAFOILYSA-N 389.839 3.313 50 40 GGGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccccc1 409015936 PSZIIAOCTRMYEO-PGLVWIQMSA-N 395.503 3.363 50 40 GGGB COCCN1C(N)=C(C#N)[C@H](c2ccccc2OC)C2=C1CC(C)(C)CC2=O 409148550 ZGZSPJWQJPLOFF-IBGZPJMESA-N 381.476 3.078 50 40 GGGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@@H]2C1 33926995 CMICIOIYNYWQMJ-WBVHZDCISA-N 383.377 3.061 50 40 GGGB C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N\NC(=O)CCc1ccccc1 5363813 DHTZMAUHRXZHFR-PXLXIMEGSA-N 382.420 3.357 50 40 GGGB C/C(=N/NC(=O)CNC(=O)c1ccccc1F)c1ccc(Cl)c(Cl)c1 4833909 PPNCQYWPEXANHF-YVNNLAQVSA-N 382.222 3.403 50 40 GGGB Cc1nc(Cc2ccccc2)sc1C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 36077565 IMISCADSNSBHJF-RGVLZGJSSA-N 396.428 3.420 50 40 GGGB Cc1cc(/C=N/NC(=O)CC2(C)OCCO2)c(C)n1-c1ccc(Cl)cc1 58917420 QZQOXDLZSGEINY-CIAFOILYSA-N 375.856 3.351 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2C)C(=O)N1c1ccc(F)cc1 16745973 MOZXAYRRRHMQRK-HGBKYHTQSA-N 395.459 3.306 50 40 GGGB Cc1cccc2cc3c(N)c(C(=O)NNC(=O)Cc4ccccc4)sc3nc12 872644 RWXXWZLFDXFOGY-UHFFFAOYSA-N 390.468 3.344 50 40 GGGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)s1 6050806 OQRJWXKEQZGIIC-RGVLZGJSSA-N 398.492 3.149 50 40 GGGB COc1ccc(-c2nc(/C=C/C(=O)NNC(=O)c3ccc(F)cc3)cs2)cc1 8753691 IOGCJRDTMIRPFC-DHZHZOJOSA-N 397.431 3.432 50 40 GGGB Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 20086806 NLUJATTUBQPIKU-NRFANRHFSA-N 399.450 3.491 50 40 GGGB O=C(N[C@@](Cl)(C(=O)O)[C@H](Cl)c1ccccc1)c1ccc([N+](=O)[O-])cc1 32634092 YTECIHNLSXXYNS-CZUORRHYSA-N 383.187 3.324 50 40 GGGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CSc2ncccn2)c1C 58915167 IYKNYUXJDSFLSG-FSJBWODESA-N 379.489 3.435 50 40 GGGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 942401 ZRIMQDOKBTUKLG-UFFVCSGVSA-N 399.403 3.150 50 40 GGGB O=C(Cc1cn2ccsc2n1)NNC(=S)Nc1cccc2ccccc12 12523762 MLBGIOGQGKSZRL-UHFFFAOYSA-N 381.486 3.109 50 40 GGGB Cc1onc(-c2ccccc2Cl)c1C(=O)NN(C)C(=S)NCC(C)C 12772102 VFWKIVAMPUDDIH-UHFFFAOYSA-N 380.901 3.411 50 40 GGGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)NC2CCCC2)c1C 58911549 OGGKBCJDFMVUDB-YDZHTSKRSA-N 380.492 3.220 50 40 GGGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)OCc2ccc(OC)cc2)cc1 100522671 AOZLQRNNCQLXEV-HZHRSRAPSA-N 399.447 3.012 50 40 GGGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1O 408963034 LQJXYESSTSFBHD-ZVBGSRNCSA-N 397.309 3.482 50 40 GGGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@@H]1c1c(Cl)cccc1Cl 5567561 YESCWRGGARKRCU-FWDPORAESA-N 377.153 3.265 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)c(C)c1 5362686 IKSTWBPINLYHMM-YDZHTSKRSA-N 395.463 3.374 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1OC 7869796 AZXLTHSOONSOER-CIAFOILYSA-N 387.823 3.002 50 40 GGGB COc1ccccc1C(=O)NNc1ncnc2c1cnn2-c1ccc(C)cc1C 26894924 ODJROQWGHDTGIN-UHFFFAOYSA-N 388.431 3.198 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2c(C)cccn2c1=O 2423934 WGVOHDCZWLRYCS-DTQAZKPQSA-N 386.411 3.004 50 40 GGGB C[C@H](C(=O)/C(C#N)=C1/Nc2ccccc2S1)N1C(=O)c2ccccc2C1=O 6175988 RASUPNOXQVOYTJ-GMVXBXSFSA-N 375.409 3.193 50 40 GGGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccccc4)c(=O)c23)C1 4367740 VTZUKQPXBMJLJE-RKTSZGOFSA-N 394.500 3.294 50 40 GGGB C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccc(N(C)C)c(F)c3)cc2C1 48303329 RWYBJTKZUUEVFT-LLVKDONJSA-N 375.469 3.153 50 40 GGGB N#C/C(=C\c1ccc(OCCOc2ccccc2)cc1)C(=O)NC[C@@H]1CCCO1 5006449 IDSICIBCGLGJMZ-SIWPHUPXSA-N 392.455 3.347 50 40 GGGB CCOC(=O)/C(C#N)=C1\SC[C@@](O)(c2ccccc2)N1c1ccc(OC)cc1 16682026 TUFOXHYDVXMLHR-IGCQWYOMSA-N 396.468 3.392 50 40 GGGB COc1cc(Br)c(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 207058047 CVPYQRUAUUAUEE-GHXNOFRVSA-N 379.254 3.432 50 40 GGGB COc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccccc3OC)n[nH]2)cc1OC 13646493 YWPQFGZYHHQZJF-XKZIYDEJSA-N 394.431 3.257 50 40 GGGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@@H]1COc2cc3ccccc3cc2O1 725910 NGBLSQZOZWVJEI-QVQQHXNLSA-N 377.356 3.038 50 40 GGGB O=C(N/N=C/c1ccc(Br)cc1)c1cncc(Br)c1 918884 GNYHJJQLQPKPNS-UBKPWBPPSA-N 383.043 3.371 50 40 GGGB Cc1ccc(OCC(=O)N/N=C\c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 4598924 BCFRBNVLRVBOBA-NHDPSOOVSA-N 379.372 3.291 50 40 GGGB O=C(COc1ccccc1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 6223124 MESXLWIQEJBNIR-LVWGJNHUSA-N 385.423 3.133 50 40 GGGB O=C(NNS(=O)(=O)c1ccccc1Cl)c1cc2c(s1)CCCCC2 7404846 MEOQIIULFDFWOX-UHFFFAOYSA-N 384.910 3.294 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc([N+](=O)[O-])c1O 408854736 APKUBOCRXKMIJR-MDWZMJQESA-N 383.360 3.253 50 40 GGGB COc1ccccc1NC(=O)N/N=C\c1ccc(OCC(=O)OC(C)C)cc1 409189341 JOKMEYQNBTUQLG-MTJSOVHGSA-N 385.420 3.181 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2ccc(F)cc2)cc(Br)c1OC 409240257 PFWHUJDKXXLICY-KEBDBYFISA-N 395.228 3.298 50 40 GGGB CC1CCN(C(=O)Cn2cc(/C=C(\C#N)C(=O)NC3CC3)c3ccccc32)CC1 890595 QPSACPKNWBNBGG-SFQUDFHCSA-N 390.487 3.085 50 40 GGGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 4545035 YIHRCHUSBRZVJE-QZTJIDSGSA-N 392.367 3.270 50 40 GGGB N#CC1=C2N3CCCCCC3=NN2C(=O)N[C@]1(c1ccccc1)C(F)(F)F 4932588 CFLCOOWVYUHXCL-KRWDZBQOSA-N 375.354 3.408 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1OC 5479992 LGGIELONCDDQDG-WSDLNYQXSA-N 384.461 3.213 50 40 GGGB C=CCN1C(=O)/C(=N\NC(=O)COc2ccc3ccccc3c2)c2ccccc21 46085054 UKAVUUFBZNRGCS-LVWGJNHUSA-N 385.423 3.272 50 40 GGGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 102083199 YIHRCHUSBRZVJE-ROUUACIJSA-N 392.367 3.270 50 40 GGGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c21 2245675 QSSCPLQIEDVISQ-LJQANCHMSA-N 389.411 3.025 50 40 GGGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc([N+](=O)[O-])ccc1O 83327023 IUCRFQHBZIPGDB-GRSHGNNSSA-N 396.315 3.233 50 40 GGGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 7385735 KHJKUZVWWULBAN-HYARGMPZSA-N 383.448 3.077 50 40 GGGB N#CC(=C1Nc2ccccc2N1)c1nc(C#N)c(C#N)nc1N1CCCCCC1 944819 NFIPCQULOUCUKZ-UHFFFAOYSA-N 382.431 3.330 50 40 GGGB O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccccc1Br 59435803 HIJHMVNNROWGJR-GIJQJNRQSA-N 380.629 3.191 50 40 GGGB COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 59433884 QMWWJBMCIMDUPS-LSFURLLWSA-N 399.756 3.456 50 40 GGGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 409116770 MHZBPTMPHKLTSF-VRCTWVPOSA-N 386.473 3.178 50 40 GGGB CCOc1ccc(NC(=O)CCC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1 4615131 KSVLLAVAEXXICI-HYARGMPZSA-N 398.419 3.253 50 40 GGGB CCOc1cc2c(cc1/C=N/NC(=O)c1cc3cccc(OC)c3o1)OCO2 4739243 MKWZWEOIVAXQHQ-UFFVCSGVSA-N 382.372 3.333 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1 7896427 QOLPPAHIBCNISX-RIYZIHGNSA-N 377.352 3.158 50 40 GGGB COc1cccc(CC(=O)N/N=C\c2cc(OC)c(N3CCCC3)cc2OC)c1 409102384 SJYXOGOGGGQOHD-HAHDFKILSA-N 397.475 3.005 50 40 GGGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc([N+](=O)[O-])ccc1O)C(C#N)=C(N)O2 35183037 QBROHSWCCSHTGU-SFHVURJKSA-N 389.371 3.013 50 40 GGGB C=CCN1C(=O)/C(=C\c2ccc3c(c2)CCN3CCCCl)C(O)=NC1=S 33554667 WZZREUNMGLCCJW-QINSGFPZSA-N 389.908 3.331 50 40 GGGB COc1cccc(/C=N/NC(=O)C(=O)NC2CCCC2)c1Nc1ccccc1C 408706521 ATVHDSIHVQJMTP-OEAKJJBVSA-N 394.475 3.256 50 40 GGGB COC(=O)COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 8092068 XJXAXKUVVUHAEM-OEAKJJBVSA-N 376.412 3.084 50 40 GGGB Cc1ccc(/C=C2\SC(=S)N(CC(=O)NNc3ccccc3)C2=O)cc1 13573521 COZOUAGZFZEHDH-WJDWOHSUSA-N 383.498 3.340 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 933846 XEHGFSBPJPIXGD-KRWDZBQOSA-N 395.802 3.432 50 40 GGGB CCCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1 1342755 YAAOJFKWOGDMQD-UHFFFAOYSA-N 386.521 3.402 50 40 GGGB CN(CCC#N)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 3263457 BWADXMNGVKVDGN-LJQANCHMSA-N 376.460 3.487 50 40 GGGB COc1ccccc1CNC(=O)C/C(C)=N/NC(=O)Cc1ccc(Cl)cc1 100530226 VJPKCYMDMCNSDY-OEAKJJBVSA-N 387.867 3.090 50 40 GGGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cccc(Oc2ccccc2)c1 3369118 CLEJPYSBODQQCW-FQEVSTJZSA-N 390.395 3.080 50 40 GGGB C/C(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)=N\NC(=O)c1ccoc1C 4859841 GZCNMQZGDZRRFK-DJKKODMXSA-N 378.772 3.284 50 40 GGGB CCOc1ccc(N[C@@H](C)C(=O)N/N=C(\C)c2ccc(OC)cc2OC)cc1 695510 QZBUTBWYYQQHAD-FVQJWRHTSA-N 385.464 3.443 50 40 GGGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc2c(s1)CCCCC2 13042020 XZZVDDJZAFQJKL-UHFFFAOYSA-N 384.910 3.294 50 40 GGGB O=C(N/N=C1/C(O)=Nc2c(Cl)cc(Cl)cc21)[C@@H]1COc2ccccc2O1 6454946 VETRXEGDAGFFAG-ZDUSSCGKSA-N 392.198 3.255 50 40 GGGB CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OC 408752285 CXAGTNRSEFHTMB-YDZHTSKRSA-N 379.416 3.171 50 40 GGGB COc1ccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1Br 33335924 XJDWMLIWFUYQLH-GRSHGNNSSA-N 393.237 3.239 50 40 GGGB CCOC(=O)N1CCN(c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)CC1 4134679 OEMPIADHBMYEDM-FYWRMAATSA-N 391.431 3.499 50 40 GGGB CN1C(=O)/C(=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21 100260397 SWHXUXSLPVWLFM-FKSYRZLGSA-N 395.462 3.490 50 40 GGGB O=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 2675920 ROIUAABZMQLUCC-PXLXIMEGSA-N 382.420 3.035 50 40 GGGB COc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1OC 5417278 PYVKKYSCZVRVSI-LPYMAVHISA-N 383.448 3.190 50 40 GGGB Cc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 8142996 SCURFIRFYPJRHS-UHFFFAOYSA-N 395.503 3.182 50 40 GGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc3ccccc23)c1C#N 59427704 HAITUMZYSQFOFA-WYMPLXKRSA-N 388.427 3.090 50 40 GGGB O=C(NCCc1ccccc1)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OC(CCl)CCl 254430498 VVGKSGDVIYYAIP-CWLKWCNXSA-N 396.314 3.173 50 40 GGGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(OC)c1OC 1433816 LVVHZASTWQRYLJ-ZMOGYAJESA-N 393.443 3.428 50 40 GGGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 8951753 NERVIDVPOXOBJR-WQLSENKSSA-N 396.428 3.180 50 40 GGGB Cc1ccc2c(CC(=O)NNC(=O)Cn3c(C)nc4ccccc43)coc2c1C 12545132 LJWKAARKTFRJSD-UHFFFAOYSA-N 390.443 3.098 50 40 GGGB CC/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(OCCN2CCOCC2)cc1 20551566 VQYZOCNXZWWXIE-ZNTNEXAZSA-N 395.503 3.250 50 40 GGGB CC(C)(O)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 32578442 OBDQYPKHEAFPBA-UFFVCSGVSA-N 395.242 3.434 50 40 GGGB O=C(Nc1ccc2ccccc2c1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408684102 JNLBAXZDWCVSRI-FFRIZKCHSA-N 386.245 3.349 50 40 GGGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1 3085663 RDAZYQNXZBYPEI-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCOCC2)cc1 6970423 CVMADEYCRWWUIL-FYJGNVAPSA-N 389.908 3.419 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2ccccc2I)cc1 57611141 KVHNDUXGPZWISO-VXLYETTFSA-N 393.228 3.162 50 40 GGGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1O 3588578 DFLBLLCQJBNRBC-VGOFMYFVSA-N 379.821 3.401 50 40 GGGB COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc([N+](=O)[O-])c1O 408742407 QWPVSFHEQBIQJD-QCDXTXTGSA-N 389.371 3.318 50 40 GGGB O=C(CCC(=O)N/N=C\c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1 32694146 SYYLKJFYVHDYTD-IINORCHSSA-N 391.258 3.374 50 40 GGGB COc1ccc(NC(=S)NNC(=O)c2ccccc2Br)cc1 42083100 CSNYGOASFCEITP-UHFFFAOYSA-N 380.267 3.089 50 40 GGGB COc1c(OC(C)=O)ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1[N+](=O)[O-] 5228446 IJAZHIFYZZCLTO-UKTHLTGXSA-N 378.344 3.469 50 40 GGGB CCOc1cc2ccccc2cc1C(=O)NNC(=O)CNc1ccc(OC)cc1 12543550 UVSZNFHDJKNMQY-UHFFFAOYSA-N 393.443 3.120 50 40 GGGB CN(NC(=O)c1ccc(Cl)cc1Cl)c1c(C#N)c(C(F)(F)F)nn1C 1401777 DLMALWWENNXFTE-UHFFFAOYSA-N 392.168 3.399 50 40 GGGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)O)cc2)c1 59249439 CPHLBDWBFUQHBB-HNDQUVLASA-N 380.400 3.483 50 40 GGGB C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1 100505493 KKVNQYWVBZCMRP-QLCJNQITSA-N 380.404 3.219 50 40 GGGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)c1 8566706 WFXDEKDEXSPYSP-HNNXBMFYSA-N 380.429 3.374 50 40 GGGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C)cc1 408603836 HJIVUJBKMZXSRO-QGZVFWFLSA-N 381.505 3.248 50 40 GGGB COc1cc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1 806461 QWCXUWSXCNFGAT-KRWDZBQOSA-N 384.432 3.163 50 40 GGGB C[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1 10278244 VAAXGFCEKHPTRB-NSHDSACASA-N 394.244 3.222 50 40 GGGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c1 2201589 XZANWWLBZVSWQS-OAQYLSRUSA-N 399.450 3.432 50 40 GGGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408793103 DBLVVYSECVNYCP-SFQUDFHCSA-N 390.395 3.039 50 40 GGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 408968364 WALHSJPEOVNARU-FOKLQQMPSA-N 385.782 3.135 50 40 GGGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 2265756 ZPXDLYAHBQLKDL-OKYTWDAHSA-N 393.340 3.348 50 40 GGGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCC1 19950346 XUHRFMXCJNEGLQ-UHFFFAOYSA-N 389.452 3.067 50 40 GGGB Cc1cc(OCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cc(C)c1Cl 30937449 RRWBYYPVIQMKGO-UFWORHAWSA-N 377.784 3.100 50 40 GGGB CC(C)(C)NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(CCCC2=O)N1 2224095 CHQBBHHKIOMZCF-QGZVFWFLSA-N 385.489 3.357 50 40 GGGB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1ccc(N)cc1 3412021 NIPBGIAEUMFAFP-AUEPDCJTSA-N 385.830 3.378 50 40 GGGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 5864136 DXEZENSDKJSCAC-SSDVNMTOSA-N 392.367 3.066 50 40 GGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 408611951 SSQOGCMFLZGYOS-LVCXCXRVSA-N 387.867 3.284 50 40 GGGB O=C(NNc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 40050420 PMRVIUBJJRMCBZ-NSHDSACASA-N 392.228 3.084 50 40 GGGB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCl)[C@H](c3cccs3)C2)c1 23175907 UUHACYFZKZMLBG-AWEZNQCLSA-N 397.909 3.036 50 40 GGGB Cc1cccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccccc43)C3=C2CCCC3=O)c1 4944736 MVHYLDGKPGSQGX-XMMPIXPASA-N 396.450 3.406 50 40 GGGB CCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2c(C)cccn2c1=O 2400201 ZWTBNJOJMGRYCB-FOWTUZBSSA-N 388.427 3.147 50 40 GGGB Cc1noc(Cl)c1CCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 65489448 CIJVPNZIWDRCBT-UHFFFAOYSA-N 379.888 3.323 50 40 GGGB CCCOc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 20197522 CVKYTTHNFLJKLA-UDWIEESQSA-N 387.392 3.165 50 40 GGGB C=CCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)c(C)c2)c2ccccc21 18266009 ZZYDURDBSHCHAC-NMWGTECJSA-N 383.835 3.080 50 40 GGGB COc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3162628 YDBLAZGKROGJAH-CIAFOILYSA-N 395.371 3.393 50 40 GGGB CCOc1cc(/C=C/C(=O)NNC(=O)c2ccccc2)ccc1OC(F)F 8290246 GURCKAJJMNMTGN-PKNBQFBNSA-N 376.359 3.161 50 40 GGGB COc1ccc([C@@H]2O[C@@](C)(CBr)C(=O)[C@H]2Br)cc1 4476607 BBAHDLBBQNAVTM-GVXVVHGQSA-N 378.060 3.253 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OC)cc2OC)c(OC)c1 6381334 GGCJMYZXYALUIR-KEBDBYFISA-N 378.812 3.138 50 40 GGGB CCOc1cc(/C=N\NC(=O)c2ccc(F)cc2)cc(Br)c1O 30822062 FHQJKZNDGHHPHN-OCKHKDLRSA-N 381.201 3.456 50 40 GGGB CC1=NN(c2ccccc2)C(=O)/C1=C(\NNC(=O)c1cccnc1)c1ccccc1 100510020 LLUBAKHONUUWDI-MRCUWXFGSA-N 397.438 3.150 50 40 GGGB Cc1ccc(OCc2ccc(C(=O)N/N=C/c3c(C)nn(C)c3F)o2)c(C)c1 252481676 CQGDQCPKEWRJRA-LSHDLFTRSA-N 384.411 3.420 50 40 GGGB Cc1ccc(NC(=O)N/N=C\c2ccc(O)c(I)c2)cc1 408905393 YJDBBNKVMHAJDG-MFOYZWKCSA-N 395.200 3.461 50 40 GGGB CO[C@H]([C@H](O)c1ccc2c(c1)OCO2)P(=O)(c1ccccc1)c1ccccc1 1613363 KDRQDHKZFXFOJE-YADHBBJMSA-N 396.379 3.435 50 40 GGGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCN(C(=O)OC(C)(C)C)CC1 2334802 FDXIODBMEDEMGS-UHFFFAOYSA-N 387.480 3.371 50 40 GGGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 2502517 CQUKIJZKWXUBRV-FQEVSTJZSA-N 378.384 3.207 50 40 GGGB Cc1[nH]nc2c1[C@H](c1ccccc1OCc1ccccc1C#N)C(C#N)=C(N)O2 409133957 VCFLYILVUFYYJU-HXUWFJFHSA-N 383.411 3.387 50 40 GGGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccco1)c1ccccc1 409225394 QDIBNJDLIQHNAE-NDENLUEZSA-N 379.328 3.171 50 40 GGGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccccc2)c(OC)c1 951096 PFRYDEVMXXKRAL-BOJOMDSJSA-N 388.379 3.288 50 40 GGGB CC(C)=NO[C@@]1(c2ccc(Br)cc2)OC(N)=C(C#N)C1=C(C#N)C#N 100234304 FWVVPZUEYMNAGU-QGZVFWFLSA-N 398.220 3.082 50 40 GGGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1 3079923 RHVZUUATSZKUSI-FYJGNVAPSA-N 384.436 3.279 50 40 GGGB COC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2c(C)cccn2c1=O 2406109 PXTJEFYRZFXFQA-RVDMUPIBSA-N 375.384 3.184 50 40 GGGB COC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 14676086 FROCINJCNNABAB-VUVCFOEZSA-N 382.416 3.114 50 40 GGGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccccc1 409015935 PSZIIAOCTRMYEO-LSCMLXDISA-N 395.503 3.363 50 40 GGGB CC(C)c1ccccc1OCC(=O)NNC(=O)c1ccc(Br)s1 8421171 HMGSFZNFXXXOGJ-UHFFFAOYSA-N 397.294 3.474 50 40 GGGB O=C(N/N=C/c1cc(Br)cc(Cl)c1O)c1ccc2c(c1)OCO2 682770 KPGWLYWSQHXTJI-NGYBGAFCSA-N 397.612 3.301 50 40 GGGB N#C/C(=C/c1ccccc1)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 3280140 NPQDMNMXKWWZLU-HKWRFOASSA-N 397.434 3.487 50 40 GGGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCOCC1 9295403 OGRKFLRQDRQQFW-FMIVXFBMSA-N 387.779 3.274 50 40 GGGB COc1ccc(N2CCN(/C(=C/C#N)NC(=O)Nc3ccc(C)cc3)CC2)cc1 100333467 NTHQOTMWTLJUNG-SRZZPIQSSA-N 391.475 3.312 50 40 GGGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)o2)c([N+](=O)[O-])c1 408734179 FGVKGFXSFCDJKT-WQMJKPAKSA-N 397.387 3.066 50 40 GGGB C=CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1 408883101 TZSQIWFYFONUJP-LDADJPATSA-N 378.428 3.492 50 40 GGGB CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409008289 VHDZLHDVWRKVSO-GZTJUZNOSA-N 394.427 3.491 50 40 GGGB O=S(=O)(Nc1nccs1)c1ccc(N(CCCl)CCCl)cc1 1763123 GQDSYZWEUDCELQ-UHFFFAOYSA-N 380.322 3.228 50 40 GGGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2cc(OC)ccc2OC)cc1 818303 FHANSFVWGKUXBV-GOSISDBHSA-N 397.456 3.012 50 40 GGGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCC3)c2C)c1 58912546 JZSJGMUNROVAHK-OEAKJJBVSA-N 380.492 3.174 50 40 GGGB Cc1ccc(NNC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1Cl 12935267 WAOUHVLSUNLZCM-UHFFFAOYSA-N 380.231 3.171 50 40 GGGB CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1cc(Cl)ccc1Cl 409028625 QNOCKNJXBZBLMO-UHFFFAOYSA-N 392.308 3.196 50 40 GGGB N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Cn1cnc2ccccc21 408691926 YIAITYPHVGMTGW-BOPFTXTBSA-N 389.415 3.388 50 40 GGGB Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1C 98087099 XIZPBZNPXKMALX-ZMOGYAJESA-N 386.455 3.260 50 40 GGGB Cc1ccc(C(=O)NNC(=O)c2ccc(COCC(F)(F)F)cc2)c(C)c1 12741265 MRENRTWPXTUINM-UHFFFAOYSA-N 380.366 3.457 50 40 GGGB CCOc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 690931 AHMGSYDGKUGKIT-LJQANCHMSA-N 380.492 3.298 50 40 GGGB O=C1COc2ccc(C(=O)NN(Cc3ccccc3)Cc3ccccc3)cc2N1 22654493 CRIZOGVLSIEQRD-UHFFFAOYSA-N 387.439 3.365 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc([N+](=O)[O-])c1O 36236342 VJSDBFAACAKTTK-DJKKODMXSA-N 377.784 3.425 50 40 GGGB O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(F)cc1 2761908 ZHXNRDXEVNUHOP-RGVLZGJSSA-N 392.228 3.457 50 40 GGGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)OC)cc3)cc2c1 409186859 ITXDSILWMMYWLX-UUYOSTAYSA-N 396.399 3.147 50 40 GGGB C#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC 255829667 HGHIRIWODXUPEP-UYRXBGFRSA-N 390.439 3.329 50 40 GGGB COc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1OC 3117370 GLLATTARRUVUBQ-LPYMAVHISA-N 383.448 3.190 50 40 GGGB COc1ccc(/C=N/NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)cc1 1246560 AZXRHVGREXCURI-ZVHZXABRSA-N 385.427 3.257 50 40 GGGB CC1(C)C(C#N)=C(S[C@H](C(=O)N2CCCC2)c2ccccc2)NC(=O)[C@H]1C#N 5333809 DRFUVVDGXDSFFQ-WBVHZDCISA-N 394.500 3.114 50 40 GGGB O=C(Cc1ccccc1)N/N=C/c1coc(Br)c1Br 5773193 CTHQVPWPNOSXIN-FRKPEAEDSA-N 386.043 3.497 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(Cl)c1O 6958771 UAXWLSXKKOPZRP-UFFVCSGVSA-N 389.839 3.150 50 40 GGGB COc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1N(C)C 17022978 LYVKIRPWBQWRFQ-ODLFYWEKSA-N 376.254 3.288 50 40 GGGB CCOc1cc(Cl)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 35151491 AXPQSMUUZSMWLU-JAIQZWGSSA-N 391.811 3.348 50 40 GGGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc(C)cc(O)n2)c([N+](=O)[O-])c1 103544925 SQGNGKDZJDRCEJ-KPKJPENVSA-N 386.389 3.020 50 40 GGGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccco1 408764430 IPJDMDWYSLSGLQ-UDWIEESQSA-N 379.328 3.171 50 40 GGGB CC(C)=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408779952 OOEPRAGQJDINMO-UHFFFAOYSA-N 393.896 3.356 50 40 GGGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3231956 NDDKPWJHLUNTFK-UFWORHAWSA-N 382.254 3.286 50 40 GGGB CCN1C(=O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C(O)=NC1=S 2591574 HPSFTRGEUOVXOV-SDNWHVSQSA-N 377.897 3.165 50 40 GGGB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 5024728 GZGZOEHFVCPOKG-MXDRFRHJSA-N 399.903 3.179 50 40 GGGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408798332 HTMBLLOXNDPFAM-QGOAFFKASA-N 395.415 3.233 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c(C)n1-c1ccccc1F 408972611 PQOUZKVQESAMAV-YDZHTSKRSA-N 384.455 3.132 50 40 GGGB O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 3204091 DVDYASLEXGFMJE-UDWIEESQSA-N 379.328 3.171 50 40 GGGB COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc(OC)c1OC 12844070 FPXWNFQLGWRIKG-SSDVNMTOSA-N 386.448 3.167 50 40 GGGB CCCOc1c(Br)cc(/C=N/NC(=O)c2ccncc2)cc1OC 3572221 VDEUMKKQSHYMAN-RGVLZGJSSA-N 392.253 3.405 50 40 GGGB Cc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1 1445283 AJMIXQCJYDXWLZ-GIJQJNRQSA-N 392.209 3.195 50 40 GGGB C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccccc1Br 10280444 HSHBBFZDECOASQ-LLVKDONJSA-N 394.244 3.222 50 40 GGGB CN(c1ccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1)S(C)(=O)=O 409126970 OTQUCZYDCZWMNI-UHFFFAOYSA-N 379.526 3.405 50 40 GGGB COc1cc(/C=N\NC(N)=O)cc(Cl)c1OCCOc1ccc(C)cc1 33620257 YMELKQNPHGFOEJ-NHDPSOOVSA-N 377.828 3.117 50 40 GGGB CCOc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1OC 4513581 DYXYOZJMZHLPTL-SFHVURJKSA-N 381.457 3.394 50 40 GGGB CCOc1ccc(C(=O)NNC(=O)c2cnn(-c3cccc(C)c3)c2CC)cc1 32794911 SXECBHUPHKMGSQ-UHFFFAOYSA-N 392.459 3.217 50 40 GGGB Cc1occc1C(=O)NNC(=O)[C@H](Oc1ccccc1Br)C(C)C 44281532 ZDQQQUZFVYSAJP-OAHLLOKOSA-N 395.253 3.215 50 40 GGGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C 408586915 DAZWQIHAGVVRMN-YDZHTSKRSA-N 376.416 3.040 50 40 GGGB O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(N2CCCC2)cc1 408678464 ZIHANXOTAQCXDH-RGVLZGJSSA-N 388.811 3.318 50 40 GGGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 408777265 XOJOPEGQLOMIAV-FYJGNVAPSA-N 387.505 3.035 50 40 GGGB COC(=O)c1cc(Cl)ccc1C(=O)[C@@H](Br)CBr 575361636 AJNLSVZHDYOLNN-VIFPVBQESA-N 384.451 3.468 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1 25703391 JFBLHRXPVAITBJ-IFRROFPPSA-N 386.670 3.454 50 40 GGGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)o1 1088517 WOXYYSFWYOJWPE-MRUVXERFSA-N 379.372 3.347 50 40 GGGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1 1079022 NYKAUOSVBQLKGM-VRCTWVPOSA-N 386.473 3.010 50 40 GGGB COc1ccc(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 4739607 URCNZBLLCLUVBP-GIJQJNRQSA-N 379.825 3.499 50 40 GGGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(O)c(OC)c2)nc2ccccc21 4951085 VKCASCLMIAKJTI-XKZIYDEJSA-N 398.488 3.403 50 40 GGGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)cc(OC)c1OC 881065 FLLSPVPYMWZMEY-UFFVCSGVSA-N 392.839 3.203 50 40 GGGB Cc1cc(CSc2ccccc2C(=O)NNC(=O)c2ccccc2O)on1 32899547 YJCNSLMJJBFOEQ-UHFFFAOYSA-N 383.429 3.056 50 40 GGGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2O)cc1 33677043 ZCKGATLYRMVSRD-ZSOIEALJSA-N 387.233 3.387 50 40 GGGB O=C(N/N=C/c1cccs1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3303439 VKZKJYJLRQDUOD-LPYMAVHISA-N 388.452 3.270 50 40 GGGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccccc1Cl 100522747 DLWPBKJOFDJNJW-WSDLNYQXSA-N 387.823 3.246 50 40 GGGB Cc1cc(OCc2ccc(C(=O)NNC(=O)[C@H]3CCCO3)cc2)ccc1Cl 12815571 JQMXKMJFEOGORD-GOSISDBHSA-N 388.851 3.167 50 40 GGGB COc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccccc2)=C1C#N 8973059 NNWFWTGLQQXYTA-INIZCTEOSA-N 393.468 3.406 50 40 GGGB Cc1ccc(C)n1-c1cccc(C(=O)NNC(=S)NCc2ccccc2)c1 408585733 IWMSTRZEZJEAAQ-UHFFFAOYSA-N 378.501 3.403 50 40 GGGB CN(C)c1ccc(/C=N/NC2=N[C@@H]3CCC[C@H](Br)[C@@H]3S2)cc1 5334052 BREBZNSSLCAGBN-TVEWQHQSSA-N 381.343 3.464 50 40 GGGB CN(C)C(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59333484 VCQJWBUAFXHHNY-LCYFTJDESA-N 382.332 3.290 50 40 GGGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cccn1-c1cccc([N+](=O)[O-])c1 408754629 GLZNUPCNBWUNAJ-QCBCRBAMSA-N 392.415 3.349 50 40 GGGB O=C(Oc1c(/C=N\NC(=O)c2ccco2)cccc1[N+](=O)[O-])c1ccccc1 409222691 DEWPDIPHRQLZNK-NDENLUEZSA-N 379.328 3.171 50 40 GGGB CNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O 4205680 AJEUVJPWAADVCT-LFIBNONCSA-N 388.427 3.065 50 40 GGGB COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccccc2)cc1 27686968 WEXUAZYPPYTGFD-UHFFFAOYSA-N 389.411 3.022 50 40 GGGB CCc1ccc(/C=C(\C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 5156344 KZSIMDZMZQNVLO-OQLLNIDSSA-N 379.372 3.474 50 40 GGGB C#CCOc1c(/C=N/NC(=O)c2ccccc2)cc(Br)cc1OC 2175972 ZPOZEAMIISMJKF-UDWIEESQSA-N 387.233 3.234 50 40 GGGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(N(C)C)o1 59105157 PKNSUCHZOFAKPK-GIJQJNRQSA-N 380.242 3.189 50 40 GGGB COc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)cc1OC 225369079 ZEUHLXVLXISIRY-JJFYIABZSA-N 382.416 3.019 50 40 GGGB CCN1C(=O)/C(=C(\C#N)C(=O)Nc2cccnc2)c2cc(Br)ccc21 409143843 IZDAFOFGDYDRFC-JQIJEIRASA-N 397.232 3.126 50 40 GGGB CCCCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2ccccc21 102976776 CNNGJTVCSMMROY-NMWGTECJSA-N 385.851 3.386 50 40 GGGB CCN(CC)c1ccc(C(=O)NNC(=O)c2cccnc2SC(F)F)cc1 39977911 UFMWVLNWXWXEFO-UHFFFAOYSA-N 394.447 3.317 50 40 GGGB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2nccnc12 15974809 GGEWGZBIMBHUCW-IZYKNMJJSA-N 385.468 3.019 50 40 GGGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccco1 409263023 GPTCWDDMRXSGBA-WOJGMQOQSA-N 378.226 3.301 50 40 GGGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(C(C)(C)C)cc3)CC2=O)cc1 409161117 WQUXSRNUYINXJO-SNNLMFDCSA-N 393.487 3.496 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OC)c(C)c1)c1ccccc1 408981195 VEYOXEITGRVBMG-OVBDPADQSA-N 383.448 3.331 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 704967 PUPFMRVOLPDVLV-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB CCOC(=O)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](/C(C#N)=C(\C)N)c1ccco1 102212340 KXGXTPJORJIIDP-HRSGCLKMSA-N 397.387 3.090 50 40 GGGB COc1ccc(Nc2nc(-c3ccc(OC)cc3)c(CCC(=O)NN)s2)cc1 3267843 DUNGGUGICSAEDS-UHFFFAOYSA-N 398.488 3.493 50 40 GGGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 7939476 XIKMFHKYEIWZKQ-NMWGWCOWSA-N 397.254 3.261 50 40 GGGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 2219373 GMCPSWTXEYKWHT-GOSISDBHSA-N 377.375 3.155 50 40 GGGB CCOC(=O)C1=C(CBr)N(C2CC2)C(=O)N[C@H]1c1ccccc1 4218876 APJYTDRSOQCJPY-HNNXBMFYSA-N 379.254 3.127 50 40 GGGB COc1ccc2cc(OCC(=O)NNC(=O)Nc3cccc(F)c3)ccc2c1 8166348 VNFPNEMGDKNHQE-UHFFFAOYSA-N 383.379 3.219 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 409151262 FVLRFFAHHXGNIE-WSDLNYQXSA-N 378.384 3.482 50 40 GGGB N#C/C(=C\c1cccc(F)c1)c1nnc(N2CCOCC2)n1-c1ccccc1 7208077 MJLMVSVIVMXXQQ-GHRIWEEISA-N 375.407 3.307 50 40 GGGB C[C@@H]1CCCCN1C(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 6455011 RLBCPZBKDXNPIU-CZUORRHYSA-N 387.480 3.299 50 40 GGGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 7698991 HGSRVWSSFKTNIH-HNNXBMFYSA-N 388.439 3.251 50 40 GGGB CCOc1ccccc1/C=N/NC(=O)CSc1nnc(C)n1-c1ccccc1 2736903 WAQVYVWBXQMMBI-FYJGNVAPSA-N 395.488 3.217 50 40 GGGB N#C/C(=C\c1ccc(OCc2ccc(C#N)cc2)cc1)C(=O)NC[C@H]1CCCO1 409198323 CKWYWMPRBFHRFW-FNUHDPNESA-N 387.439 3.339 50 40 GGGB CCOC(=O)c1cccc(N/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)c1 9421867 QVDXRZZSHSCRTD-FDIDITGRSA-N 381.432 3.166 50 40 GGGB Cc1ccc(NC(=O)C(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)cc1 8025643 NLKDSQZIGXNPAP-UHKUBQJDSA-N 376.460 3.347 50 40 GGGB COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1 17120428 JAMQLPLZBFAVBA-UHFFFAOYSA-N 388.431 3.198 50 40 GGGB C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)c1cc(Cl)c2c(c1)OCCCO2 97124918 TVQIRKPQZUBZDA-BXUZGUMPSA-N 397.928 3.189 50 40 GGGB CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2Cl)s1 408729516 BYXUPDTTXFFDTN-VCHYOVAHSA-N 379.873 3.013 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC#N 408793918 HIRUAILUFPWSQA-XNTDXEJSSA-N 392.371 3.442 50 40 GGGB C#CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC 409136425 SZVXEIJMTYENBH-GOSISDBHSA-N 397.862 3.091 50 40 GGGB C=CCN1C(=O)/C(=N\NC(=O)COc2cccc3ccccc23)c2ccccc21 46085011 NPJUZNLYYFHOMM-LVWGJNHUSA-N 385.423 3.272 50 40 GGGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc([N+](=O)[O-])c1O 3087663 MWTJEGZANCFWSO-CAOOACKPSA-N 388.430 3.153 50 40 GGGB N#CC(C(=O)COC(=O)c1cccc(Br)c1)=C1Nc2ccccc2N1 3279252 VBWCNDCGDSKTMZ-UHFFFAOYSA-N 398.216 3.448 50 40 GGGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(Cl)cc3)CC2=O)cc1 59474740 YHAUNQZXMZWEPJ-HJGVYBFFSA-N 385.851 3.242 50 40 GGGB CO[C@]1([C@H](Cl)c2ccccc2)C(=O)N(C)/C(=C/c2ccccc2)C(=O)N1C 16941733 GVPXBASNZUEQDE-PWGGDHKKSA-N 384.863 3.281 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 1917587 WYZLZSMZMPPHIL-LDADJPATSA-N 376.412 3.432 50 40 GGGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 2324105 XHIMDIKFCAPFJB-HNNXBMFYSA-N 386.249 3.157 50 40 GGGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1 12982811 KFKYSOULJGBPOY-JTQLQIEISA-N 375.787 3.189 50 40 GGGB COC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O 4205584 SIABSMSZURQRTG-RVDMUPIBSA-N 375.384 3.184 50 40 GGGB COC(=O)[C@H]1C(=O)NC(SCc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1 409125849 FJXOUFOXGYQTOX-ZWKOTPCHSA-N 396.443 3.497 50 40 GGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 408611952 SSQOGCMFLZGYOS-OFJBCHTGSA-N 387.867 3.284 50 40 GGGB Cc1ccc(S(=O)(=O)NC(=O)O[C@H](CCl)COc2ccccc2)cc1 16310221 MRHAVZUJTCFKAO-OAHLLOKOSA-N 383.853 3.096 50 40 GGGB O=C(CCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(F)cc1 1960000 XVSFAKOGMOXKJI-RGVLZGJSSA-N 392.228 3.457 50 40 GGGB N#CC1=C(SCC(=O)N2CCCCCC2)NC(=O)C[C@@H]1c1ccc(F)cc1 6495440 WLWQGAREGHRPOV-MRXNPFEDSA-N 387.480 3.300 50 40 GGGB CCOC(=O)[C@H](CC)/C(C)=N/NC(=O)CCC(=O)Nc1cc(C)ccc1C 4523957 ANZJJJWFBTYCDP-QFNCUCFLSA-N 375.469 3.104 50 40 GGGB CC(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1 4678982 KFIPFVOCZXQJIS-UHFFFAOYSA-N 375.881 3.413 50 40 GGGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCC)c1 408613004 YHBUFZTVOJKITQ-BUVRLJJBSA-N 397.475 3.031 50 40 GGGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(C(=O)O)cc1 408544899 YJCLWCLWVHOJHD-GZTJUZNOSA-N 379.372 3.194 50 40 GGGB COc1cccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1OC 408946476 AKCMZMXUPFRVSX-ATVHPVEESA-N 375.428 3.451 50 40 GGGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccccc1OCC 408606878 RPOVXHNPWMHCFV-MRXNPFEDSA-N 384.461 3.033 50 40 GGGB O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccc([N+](=O)[O-])cc1 3194861 OKTQXYYRXFAERB-UDWIEESQSA-N 379.328 3.171 50 40 GGGB CC(/C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)=C\c1ccccc1 32576942 GENVOGWSQGWTED-DZJHMMJTSA-N 376.504 3.010 50 40 GGGB O=C(CCc1ccccc1)NNc1ncnc2c1cnn2-c1ccc(F)cc1 21118034 FOZJBKXVEGCOAR-UHFFFAOYSA-N 376.395 3.031 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 3255854 DMJIKNKPJJKQFK-TYSUYXETSA-N 392.455 3.283 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(OC(C)=O)c(Br)c2)cc1 408752860 CUZPYBJEDMPXQZ-VXLYETTFSA-N 391.221 3.147 50 40 GGGB NNC(=O)[C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1 4741342 USUICNGERNRQQU-CQSZACIVSA-N 396.878 3.055 50 40 GGGB COC(=O)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 70037651 LFIYAYPPQTWPBA-XLLHXKPXSA-N 375.856 3.445 50 40 GGGB O=C(NNc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccc(Cl)cc1 17155517 TVWCKBDYYWHIER-UHFFFAOYSA-N 382.786 3.365 50 40 GGGB O=C(N/N=C/c1ccccc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 409006574 PIWOEMLAKYJASF-YDZHTSKRSA-N 387.842 3.482 50 40 GGGB Cc1c(C(=O)N/N=C\c2ccc(C(C)C)cc2)nn(-c2ccccc2)c(=O)c1C#N 409061352 DGIVCKVKXHDAOD-QFEZKATASA-N 399.454 3.300 50 40 GGGB CCCc1nc(SCC(=O)NNC(=O)C(C)C)c2c(C)c(C)sc2n1 4241156 XGKLZBIJHVYESF-UHFFFAOYSA-N 380.539 3.156 50 40 GGGB Cc1ccc(NC(=O)CCC(=O)NNC(=S)Nc2ccc(F)cc2)c(C)c1 1894981 GRIFESWTLSDEAU-UHFFFAOYSA-N 388.468 3.179 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 16758964 DBADARPUFWRTFY-JYRVWZFOSA-N 383.360 3.166 50 40 GGGB COc1ccccc1NC(=O)/C(C#N)=C1\C(=O)Nc2ccc(Br)cc21 39556006 HDHCRLOBQHICPT-VBKFSLOCSA-N 398.216 3.326 50 40 GGGB O=C(NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)Nc1ccccc1 408724616 GESSMLMYZHVKMD-UHFFFAOYSA-N 396.499 3.001 50 40 GGGB Cc1c(C(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc(N)c1C#N 13151812 COXAYYYYHKFAMH-NKVSQWTQSA-N 395.400 3.443 50 40 GGGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@H]2C1 705035 CMICIOIYNYWQMJ-DOTOQJQBSA-N 383.377 3.061 50 40 GGGB O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1c(O)ccc2ccccc12)c1ccccc1O 1633541 DRQSPJXYANHMHN-ROUUACIJSA-N 382.803 3.087 50 40 GGGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)OCc3ccccc3)=C2C#N)o1 1064428 CPSIHVRTAHQWBZ-OAHLLOKOSA-N 382.441 3.403 50 40 GGGB CCOc1ccccc1NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C 8733058 LSZOVIPBTQJMMR-HNNXBMFYSA-N 385.302 3.340 50 40 GGGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccccc2C(=O)O)c1Cl 4785927 PEUCGLLQGKULMG-PTXOJBNSSA-N 387.610 3.086 50 40 GGGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c1 7001301 PGSBSFFSCWIWAW-WSDLNYQXSA-N 391.383 3.367 50 40 GGGB O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)Nc1cccc(Cl)c1Cl 409255845 LHPSTDPSWMYCNW-FBCYGCLPSA-N 386.622 3.441 50 40 GGGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1cccc(-n2cccc2)c1 409093644 ABNJUPFKEDHKTJ-ULJHMMPZSA-N 388.471 3.386 50 40 GGGB Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)[C@H]1Cc3ccc(C)cc3S1)C2 40158859 KWKNEEMOKHMCRG-HDICACEKSA-N 384.526 3.185 50 40 GGGB CCc1cc2c(=O)n(CC(=O)N/N=C\c3ccc(C(C)(C)C)cc3)cnc2s1 101088159 RIHSOVWJCAMLBA-KSEXSDGBSA-N 396.516 3.468 50 40 GGGB O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccccc1F 102358785 XEWQOFBJAYTGRP-SKLAPFLYSA-N 395.272 3.321 50 40 GGGB Cc1nc2nc3c(c4c(C#N)c(N5CCCCC5)nc([nH]1)c24)C[C@H](CCl)O3 2651926 JJNNOWABKLRGMQ-LLVKDONJSA-N 382.855 3.219 50 40 GGGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1(c2ccc(Cl)cc2)CC1 14238716 MCELKJWOFLWTFU-LBPRGKRZSA-N 376.815 3.126 50 40 GGGB O=C(NNC(=O)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 33789797 ZVHMIXIMOFAONY-UHFFFAOYSA-N 386.540 3.437 50 40 GGGB C[C@H]1S/C(=N\NC(=O)CNc2cccc(Cl)c2)N(c2ccccc2)C1=O 4161704 DHDOHZXIBCFZFW-DIPZADQQSA-N 388.880 3.308 50 40 GGGB Cc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1NS(C)(=O)=O 32760348 AAWUGKLWOSYICP-UHFFFAOYSA-N 387.383 3.142 50 40 GGGB Cc1ccccc1N1C(N)=C(C#N)[C@]2(C(=O)Nc3ccccc32)C2=C1CCCC2=O 4944741 XYKSMHNZMVDVDS-DEOSSOPVSA-N 396.450 3.406 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCC#N 107603167 CTCLDEJJJSGMHO-RGVLZGJSSA-N 388.221 3.124 50 40 GGGB COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)NCCCc1ccccc1 409232988 JJSUYRZOGFJDCB-PDGQHHTCSA-N 380.444 3.368 50 40 GGGB C=CCN1C(=O)/C(=N\NC(=O)CNc2cccc3ccccc23)c2ccccc21 18137340 NIYNKBWPCBWBPB-ROMGYVFFSA-N 384.439 3.305 50 40 GGGB Cc1c(C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc(N)c1C#N 409336682 VDWDSLJQORMYTB-UHFFFAOYSA-N 395.400 3.443 50 40 GGGB CCOc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 409005689 JQEMGKSFSZUHTD-LFVJCYFKSA-N 393.487 3.396 50 40 GGGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(N)=O 8110765 SHCSCQXLHFNNFS-AWNIVKPZSA-N 387.779 3.185 50 40 GGGB NNC(=O)/C=C/c1cc(Cl)c(OCc2cccnc2)c(Br)c1 226341757 QUEQOIHBNZSLGY-ONEGZZNKSA-N 382.645 3.080 50 40 GGGB Cc1ccc(C(=O)N[C@]2(C(Cl)Cl)N=C(c3ccccc3)N=C2N)cc1 17433923 CZKAVWOTGBJDLU-SFHVURJKSA-N 375.259 3.042 50 40 GGGB COc1cc(OC)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 663575 DRQUBIINDDFDTK-VLIAUNLRSA-N 390.443 3.306 50 40 GGGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(Br)ccc1O 6480285 UZDALBINCAPVPX-REZTVBANSA-N 398.600 3.480 50 40 GGGB CSc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1 59444374 XLQHJXSFIZVWDE-VCHYOVAHSA-N 392.278 3.260 50 40 GGGB CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)COc1ccc(Cl)cc1Cl 100207234 JBVMVAQARWHPSD-ZTPSMGMTSA-N 375.252 3.454 50 40 GGGB O=C(N/N=C/c1ccccc1)c1nc2ccccc2c(=O)n1Cc1ccccc1 2175839 YJTFVAYOZGDXJP-BUVRLJJBSA-N 382.423 3.209 50 40 GGGB O=C(NNC(=S)NCCCc1ccccc1)c1ccccc1-n1cccc1 33887726 QPIVLEHGJXYNQC-UHFFFAOYSA-N 378.501 3.219 50 40 GGGB COc1cc(/C=C(\C#N)C(N)=S)ccc1OCC(=O)Nc1cccc(C)c1 34705352 HLJSEOHIEDJFDM-OQLLNIDSSA-N 381.457 3.214 50 40 GGGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)c1 2628511 TUSQIHHYYZTXKW-UHFFFAOYSA-N 382.338 3.042 50 40 GGGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)OC)CCCC3)c1C 408790123 NWZVRERKCZDRQP-GDNBJRDFSA-N 397.500 3.474 50 40 GGGB CCOc1cc2c3c(c1)/C(=N/NC(=O)c1ccncc1)C(=O)N3C(C)(C)C=C2C 101122065 DZSQLMVVIBVOGE-MOHJPFBDSA-N 390.443 3.157 50 40 GGGB COc1cc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc(OC)c1OC 716740 PSMKMTDKCSEPNI-DNVCBOLYSA-N 390.443 3.306 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(OC)c1OC 3572249 KWNOOACYBGLZCC-VXLYETTFSA-N 393.237 3.239 50 40 GGGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 409162506 VZTOOQKSCAKHLW-SRZZPIQSSA-N 393.355 3.276 50 40 GGGB O=C(CSc1nccn1-c1cccc(Cl)c1)NNC(=O)c1cccs1 7284130 KYPGZGKRIJNKST-UHFFFAOYSA-N 392.893 3.141 50 40 GGGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)cc1 408813512 QNVNWHRKVJOQRN-DEDYPNTBSA-N 375.428 3.197 50 40 GGGB O=C(NNC(=S)NCCCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 408585004 AFOGLZHSTGMJEY-UHFFFAOYSA-N 398.444 3.083 50 40 GGGB O=C(NNC(=S)Nc1ccc(F)cc1F)c1cc(O)ccc1C(F)(F)F 1616022341 DNAWZDYJHFPWBG-UHFFFAOYSA-N 391.321 3.321 50 40 GGGB CCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 6962064 XGQUNBAARZBEJD-XNQWGTPPSA-N 379.460 3.205 50 40 GGGB O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc2c(c1)OCO2 4501726 DKLODFPVNXLQAP-ODCIPOBUSA-N 395.293 3.035 50 40 GGGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(F)cc3)o2)cc1 409363961 KIHSOVFZAOTSEK-WYMPLXKRSA-N 395.390 3.435 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccc(C#N)cc3)o2)n1 409230166 XETDOTBJKUKNJZ-SSDVNMTOSA-N 391.456 3.468 50 40 GGGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1 408707248 ILIQARCJZMNKMA-SSDVNMTOSA-N 391.258 3.489 50 40 GGGB CC(C)=NNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 408788739 GIIWNNZRSWEMTB-UHFFFAOYSA-N 393.896 3.356 50 40 GGGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1 409112154 FEVLWSALURCVNV-HZHRSRAPSA-N 382.460 3.490 50 40 GGGB CC(C)(C)OC(=O)N[C@@H](CCI)C(=O)OC(C)(C)C 39098745 CUDXGFWLHSXMOR-VIFPVBQESA-N 385.242 3.047 50 40 GGGB C=CCN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 96817293 CRMTYUPAJJGSRX-DAFNUICNSA-N 391.471 3.416 50 40 GGGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc2c(cc1Br)OCO2 100100001 QOGSGSHRKRPWFB-BLKWPSGESA-N 379.254 3.454 50 40 GGGB Cc1ccsc1/C=N/NC(=O)c1ccc(Cn2cc(Br)cn2)o1 655038 NRFXKMGSIOKTOL-REZTVBANSA-N 393.266 3.421 50 40 GGGB COc1ccc(OC)c([C@H]2NC(=O)C(C#N)=C(S)N2c2ccc(C)cc2)c1 818288 QESANVMCSDFIMQ-SFHVURJKSA-N 381.457 3.312 50 40 GGGB O=C(N/N=C/c1cccs1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 1470000 MZOAZSJGWWUCLI-XMHGGMMESA-N 391.518 3.077 50 40 GGGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(Br)cc1 59515430 DBKHQMGDURECHI-DJKKODMXSA-N 394.656 3.500 50 40 GGGB Cc1cc(OCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)ccc1Cl 5379175 RYNGQTFKWQZOJY-FBCYGCLPSA-N 398.202 3.445 50 40 GGGB CCOC(=O)[C@]1(C#N)C(C#N)=C(N)C2=CCCC[C@H]2[C@@H]1c1ccccc1OC 4786202 UCFGJXURHIVFAH-JSVDNDDVSA-N 377.444 3.328 50 40 GGGB Cc1ccc(C(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 888565 DYMLHMSXYSUJPJ-UHFFFAOYSA-N 386.502 3.170 50 40 GGGB CCCC[C@@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccccc1Br 2300703 ZIZFFZTXGHFPIE-NWDGAFQWSA-N 399.285 3.127 50 40 GGGB CCOc1cc2c(cc1/C=N/NC(=O)c1cc3cc([N+](=O)[O-])ccc3o1)OCO2 408968051 ZDIOZDKXAZNMDV-AWQFTUOYSA-N 397.343 3.232 50 40 GGGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)o1 1082951 ZGFILJRKAJGSLI-ZGUWOUCSSA-N 381.388 3.365 50 40 GGGB Cc1cc(/C=N\NC(=O)CC(=O)NCC(C)C)c(C)n1-c1ccc(Cl)cc1 58913905 GZDQTIOWACJHPX-FMCGGJTJSA-N 388.899 3.360 50 40 GGGB CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O 2432849 MHJUBBTZJXZMQS-ACCUITESSA-N 379.347 3.096 50 40 GGGB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4[C@@H](Cl)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 118926563 GXEPQZPCYMHNEU-SVGVJBEESA-N 380.912 3.315 50 40 GGGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)NCc1ccccc1 58882832 RCWWBVIFLYYXOH-XYGWBWBKSA-N 387.439 3.146 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCCC3)c(F)c2)n1 409108768 XZQJGHCEKPMTPZ-SRZZPIQSSA-N 387.484 3.075 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(SCCO)c([N+](=O)[O-])c2)cc1 32124658 IFJPBROGPHHOFX-UVTDQMKNSA-N 399.428 3.233 50 40 GGGB COc1cc(NC(=O)/C(C#N)=C/c2c[nH]c3ncccc23)cc(OC)c1OC 44892924 FZFGNILKSSXTHR-KPKJPENVSA-N 378.388 3.134 50 40 GGGB Cc1no[n+]([O-])c1COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 3671663 VJICKZNSWGIVJA-MHWRWJLKSA-N 378.344 3.168 50 40 GGGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OC 409014811 KSJLKEFUYVEJDJ-KSEXSDGBSA-N 399.834 3.435 50 40 GGGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccccc1Br 408739749 FFMHPHZEKONKMB-PZUDMAOCSA-N 399.248 3.204 50 40 GGGB Cc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)Cc2ccccc2)cc1 409000368 XYKIGNFUBRWTLL-UHFFFAOYSA-N 387.439 3.251 50 40 GGGB O=C(Cc1ccccc1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 95481326 IRQUCTXXHOWMNP-RWEWTDSWSA-N 383.451 3.339 50 40 GGGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1ccc3c(c1)OCO3)CO2 31853528 HOSLGFICSGPOOM-QSLAWHRQSA-N 382.416 3.003 50 40 GGGB COc1ccc(OC)c([C@H]2NC(=O)C(C#N)=C(S)N2c2ccc(F)cc2)c1 818310 AIJGRPIALXALJQ-KRWDZBQOSA-N 385.420 3.143 50 40 GGGB CCCC[C@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccccc1Br 2300702 ZIZFFZTXGHFPIE-RYUDHWBXSA-N 399.285 3.127 50 40 GGGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 4150601 AUUDWPVVVHUGTN-GIJQJNRQSA-N 392.209 3.195 50 40 GGGB CCc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccc(OC)cc2OC)cc1 4402163 OXBQWLVSTSYBCB-OEAKJJBVSA-N 383.448 3.401 50 40 GGGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@H]2CN(c3ccccc3)CC=C12 5589718 NQFIDFODDCAWRJ-SFTDATJTSA-N 378.439 3.012 50 40 GGGB Cc1cc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c(C)n1-c1ccccc1 7244550 FEDBIBDJSKGCPD-YDZHTSKRSA-N 391.427 3.321 50 40 GGGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(C#N)cc2)cc1 7727820 WNNGDOPMHJGAIU-UHFFFAOYSA-N 397.481 3.219 50 40 GGGB O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1ccc(F)cc1 28214947 ALRAZSUIOQRNPG-ZMOGYAJESA-N 392.390 3.002 50 40 GGGB CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(Br)c1OC 38365939 OBBVYCTVTJJCRC-GRSHGNNSSA-N 378.226 3.015 50 40 GGGB C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)c1ccc(O)cc1O 100872728 BHEYMJSOOWYKBZ-YDZHTSKRSA-N 377.400 3.386 50 40 GGGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccccc1O 408980292 QIOVOMDFQRQBHC-HSJQUHBMSA-N 387.439 3.404 50 40 GGGB COc1cccc(-c2[nH]nc3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)c1 5182108 KANAVLFRJVYVOA-QGZVFWFLSA-N 390.399 3.018 50 40 GGGB Cc1ccc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc1 29575049 QHIUYJINCAIYLE-UHFFFAOYSA-N 379.416 3.254 50 40 GGGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccccc1C 409251914 RAZWQTSBTFIVIF-AQTBWJFISA-N 377.444 3.386 50 40 GGGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 408788518 KPPSIBUDADMDQV-FOWTUZBSSA-N 380.400 3.183 50 40 GGGB COC(=O)c1cc(CBr)c(C(=O)OC)cc1CBr 3132281 UJIJTCNXMDVIQV-UHFFFAOYSA-N 380.032 3.050 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OCc1ccccc1 4548048 KEPQIHYVWGBRFN-LPYMAVHISA-N 378.432 3.460 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)O 408923792 KDCUEQUKRYFNMV-DNTJNYDQSA-N 397.214 3.229 50 40 GGGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(=O)O 408850103 GATWBILGOLHNAF-NHDPSOOVSA-N 382.372 3.059 50 40 GGGB O=C(/C=C1\Nc2ccccc2NC1=O)N/N=C/c1ccc(Cl)c(Cl)c1 408822003 CBEBYUIKXIMEJX-RWVGOLBQSA-N 375.215 3.392 50 40 GGGB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccccc1 5975915 ABUTZEXMPDANLL-UHFFFAOYSA-N 390.395 3.097 50 40 GGGB Cc1csc(C(=O)NNC(=O)C(Cl)=C(Cl)Cl)c1-n1cccc1 2158298 HRBVBEFQWLGNFF-UHFFFAOYSA-N 378.668 3.494 50 40 GGGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc(Br)c1 1433948 UZBGOIZNPRJXBS-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB C/C(CC(=O)N(C)c1ccccc1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 12362466 DSWXNXOBROQKRO-UDWIEESQSA-N 388.811 3.407 50 40 GGGB COc1ccc(C(=O)NNC(=O)CSc2nc3cc(C)ccc3cc2C)cc1 1221551 WVKVSWQWKYFQTJ-UHFFFAOYSA-N 395.484 3.414 50 40 GGGB COc1ccc(-n2c(SCC(=O)/C(C#N)=C(/C)N)nc3ccccc32)cc1 104719159 UMUGRVXUTBMLTB-SSZFMOIBSA-N 378.457 3.452 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)cc1 3255857 DMJIKNKPJJKQFK-HDAKKWKLSA-N 392.455 3.283 50 40 GGGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cccc2c1OCCO2 58915649 NTNXLBXKWOAXEW-KEBDBYFISA-N 376.865 3.495 50 40 GGGB CCN1c2ccccc2C2=C([C@H](c3cccc(C)c3)C(C#N)=C(N)O2)S1(=O)=O 20558418 QHZWRKONAAKFHI-GOSISDBHSA-N 393.468 3.341 50 40 GGGB COc1cc(Br)c(O)c(/C=N/NC(=O)CCc2ccccc2)c1 408586468 CEUYYIIPILIMKK-YBFXNURJSA-N 377.238 3.246 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c([N+](=O)[O-])cc1OC 409053229 MVJYGHUBEXEESI-DJKKODMXSA-N 377.784 3.338 50 40 GGGB Nc1ccccc1C(=O)N/N=C/c1cccc(OC(=O)c2ccccc2F)c1 408951906 JGLHUWBQQHKXLM-ZMOGYAJESA-N 377.375 3.391 50 40 GGGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCO2)c1ccc(Br)cc1 409085010 YCYGMQJJMURRHP-YBFXNURJSA-N 375.222 3.261 50 40 GGGB COc1ccc2[nH]c(SC/C(O)=C(\C#N)C(=O)NCc3ccccc3)nc2c1 51194507 MBKWKZOKQLRWLJ-SDXDJHTJSA-N 394.456 3.316 50 40 GGGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCOCC2)o1 8207241 DTFZTVLFTDWSGP-HYARGMPZSA-N 379.416 3.042 50 40 GGGB COc1ccc(Cl)c2sc(NNC(=O)c3ccc4c(c3)OCCO4)nc12 5256687 NKEGRMWQSIZXTL-UHFFFAOYSA-N 391.836 3.486 50 40 GGGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc(OC)c(OC)c2)cc1 818301 QECXMGGRKVREFZ-GOSISDBHSA-N 397.456 3.012 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OC 5020850 UJNUERMEUBDTPV-MDWZMJQESA-N 383.360 3.253 50 40 GGGB CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccs2)c2ccccc21 5323691 OAYFZNRSIAUBAD-ICFOKQHNSA-N 378.457 3.089 50 40 GGGB Cc1ccccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(C)(=O)=O 19954796 QKRGAZATJZOSOR-HYARGMPZSA-N 395.484 3.065 50 40 GGGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@H]1CCCN(c2cnccn2)C1 29756268 JIYFYKBUTPICMV-FQEVSTJZSA-N 385.471 3.262 50 40 GGGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1ccccc1O 100048456 XPLRTHBGXTZQRM-RGVLZGJSSA-N 390.237 3.289 50 40 GGGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Br)o1 408999666 RXNYZYUVTIHUDE-VIZOYTHASA-N 384.211 3.193 50 40 GGGB C#CCOc1ccc(Br)c(/C=N/NC(=O)c2ccc(OC)cc2)c1 2098603 YOUMNRLSZUIASA-UDWIEESQSA-N 387.233 3.234 50 40 GGGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccc([N+](=O)[O-])cc1 100089563 MKTAALKMUMIPPS-YDZHTSKRSA-N 398.463 3.176 50 40 GGGB COCCN1C(N)=C(C#N)[C@H](c2ccc(OC)cc2)C2=C1CC(C)(C)CC2=O 409125480 FSCDOEXWGWFMDF-IBGZPJMESA-N 381.476 3.078 50 40 GGGB COc1cccc(/C=N\NC(=O)c2cc3ccccc3o2)c1O[C@H](C)C(=O)O 409231437 KGPRBAYJKPPTDO-UORWWSPDSA-N 382.372 3.057 50 40 GGGB C=CCc1cc(/C=N\NC(=O)Nc2ccccc2)cc(OC)c1OCC(=O)O 408854493 GRDUJDPPHSXFIB-MTJSOVHGSA-N 383.404 3.043 50 40 GGGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 4544457 RITRUOGBNQAGFQ-JQFNYASXSA-N 394.427 3.031 50 40 GGGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OC 209648295 RNEUMYYGAXIUPR-QPEQYQDCSA-N 379.254 3.454 50 40 GGGB COc1cc(C(=O)NN)cc(Br)c1OCc1ccc(Cl)cc1 226364051 RPDUNKIWRLCGLR-UHFFFAOYSA-N 385.645 3.294 50 40 GGGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@@H]2C1 20813060 ZDYAIAYAGVDPCR-AEFFLSMTSA-N 397.404 3.451 50 40 GGGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(N)=O)cc1 934845 FTUUMDBFQMXJGM-QUWSGOTNSA-N 377.469 3.215 50 40 GGGB COc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccccc1F 58823068 NLBHVMCTGRMDMI-DNTJNYDQSA-N 396.216 3.178 50 40 GGGB N#C/C(=C\c1ccc(-c2ccccc2Br)o1)C(=O)N1CCOCC1 2274876 FOLZOXLUFOFCLH-ACCUITESSA-N 387.233 3.475 50 40 GGGB COc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(Br)cc1 2773508 CEMUYRWDXVNLOY-DJKKODMXSA-N 378.226 3.039 50 40 GGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)o2)cc1 408798223 VJWWDEOVXYESNL-DHZHZOJOSA-N 375.178 3.374 50 40 GGGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 408723038 PRVHPDJVFHGFKN-VZJMDRLZSA-N 396.241 3.339 50 40 GGGB Cc1ccc2c(c1)/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1C)C(=O)N2C 14921727 IMRNCQJZKSZZQI-NJNXFGOHSA-N 393.487 3.477 50 40 GGGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2337730 KKHIRTWJXFYMLW-URTGMZOISA-N 383.860 3.252 50 40 GGGB Cc1cccc(S(=O)(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 2643357 RYPCPFFYGMUPJS-UHFFFAOYSA-N 383.473 3.026 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1 4739483 CINYWDMEHFAOMX-DJKKODMXSA-N 391.225 3.228 50 40 GGGB O=C(COc1ccccc1F)NNC(=O)Cc1ccc(-c2ccccc2)cc1 13007119 YQGQBKWJRNCPTN-UHFFFAOYSA-N 378.403 3.262 50 40 GGGB C/C(=N\NC(=O)c1cccc(I)c1)c1ccc(O)cc1 57528052 MGHPICLDKBHHAP-LICLKQGHSA-N 380.185 3.151 50 40 GGGB COc1ccc(OCC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1 58961941 QFPPGUFYMKEOSP-WSDLNYQXSA-N 398.850 3.372 50 40 GGGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(Br)cc1 409368930 SSBMEADNJMCOMQ-UDWIEESQSA-N 387.233 3.234 50 40 GGGB O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(Cl)cc1 12406839 FDLZCOZGPNIGHT-IDUWFGFVSA-N 398.600 3.480 50 40 GGGB NC(=S)NNC(=O)c1sccc1OCc1ccc(Cl)cc1Cl 1395900 KULMQINGVKGXDD-UHFFFAOYSA-N 376.290 3.112 50 40 GGGB O=C(COc1cccc2ccccc12)NNC(=O)c1ccc(Br)cc1 8734272 QQHHDWACQUSANZ-UHFFFAOYSA-N 399.244 3.442 50 40 GGGB COc1ccc(C(=O)N/N=C(\C)c2ccc(I)cc2)cc1 4578438 IFPGWSBQQSKUNH-WOJGMQOQSA-N 394.212 3.454 50 40 GGGB COc1cc(C(=O)N/N=C(C)/C=C/c2ccc3c(c2)OCO3)cc(OC)c1OC 4505334 JBSMKTSMSYSEQS-MHORGHPUSA-N 398.415 3.260 50 40 GGGB O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)c1cc2c(s1)CCC2 7379684 PPAGQUBBYPOJRK-UHFFFAOYSA-N 391.301 3.167 50 40 GGGB O=C(NNc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9515073 AUFBBRLMYOXKBC-UHFFFAOYSA-N 393.896 3.272 50 40 GGGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\C=C\c1ccccc1 28351359 DWXLJHOSOZWCJF-WYZMFLDLSA-N 396.922 3.273 50 40 GGGB Cc1c(C(=O)N/N=C/c2cccc(Br)c2)sc2ncnc(N)c12 408973953 RFHIAEFIONNJQU-CGOBSMCZSA-N 390.266 3.108 50 40 GGGB CCOC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 408955304 UCLFNHYAZXQLEC-WOJGMQOQSA-N 382.825 3.188 50 40 GGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cccc([N+](=O)[O-])c1O 36137326 UAFGSFPKOUCPQK-WSVATBPTSA-N 384.175 3.136 50 40 GGGB CC1CCN(C(=O)/C(C#N)=C\c2ccc(O)c(I)c2)CC1 33337387 NYIMUSOEALGKOR-JYRVWZFOSA-N 396.228 3.162 50 40 GGGB Cc1cc(C(=O)NNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)c(C)o1 40115860 BSBBTSZMIVCPFK-AWEZNQCLSA-N 398.488 3.184 50 40 GGGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCC3)c2C)cc1 58911492 WXKMVOPHXCVARM-OEAKJJBVSA-N 396.491 3.002 50 40 GGGB O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1ccccc1O 3660232 ZEHSUXSEEPYIAB-YBFXNURJSA-N 390.237 3.024 50 40 GGGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3O)o2)cc1 409393477 XQKHJDILJYYMAT-WSDLNYQXSA-N 394.383 3.211 50 40 GGGB COc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc12 673552 QKTTWILWKIUVJM-CIAFOILYSA-N 379.372 3.286 50 40 GGGB O=C(Cc1ccccc1)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 5603014 IRQUCTXXHOWMNP-WNAAXNPUSA-N 383.451 3.339 50 40 GGGB Cc1ccc(OCC(=O)N/N=C2\CC(=O)CC(C)(C)C2)c(Br)c1 100010997 JUNGOGMOHNVJIZ-XDHOZWIPSA-N 381.270 3.388 50 40 GGGB Cc1c(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)oc2ccccc12 2627227 KXKIAZUBHVWDOY-UHFFFAOYSA-N 386.791 3.013 50 40 GGGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCOCC2)cc1 6624874 CLOWATPQFFHBOB-LFVJCYFKSA-N 389.455 3.449 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)CNc2ccc(Br)cc2)cc1 59720789 CEGJBEAXUXDMQB-UDWIEESQSA-N 376.254 3.410 50 40 GGGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2Br)c1O 36239622 RQJCWZXRGRWQLB-CAOOACKPSA-N 378.182 3.135 50 40 GGGB N#C/C(=C\N1CCN(c2cccc(Cl)c2)CC1)C(=O)NCc1ccccc1 6673522 KHYQDULJXCLCGZ-FBMGVBCBSA-N 380.879 3.186 50 40 GGGB CN(C)c1nc(N)nc(/C(C#N)=C/c2csc(-c3ccc(Cl)cc3)n2)n1 12947591 KTEOVGMWLWHYPF-YRNVUSSQSA-N 383.868 3.361 50 40 GGGB CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2O)ccc1OC 6354980 NLMZOBACWDYDTR-GRSHGNNSSA-N 393.237 3.326 50 40 GGGB Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1F 32908244 AWHVAHVOFGVSRS-UHFFFAOYSA-N 396.378 3.216 50 40 GGGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\NC(=O)c1ccncc1 4823788 AXSGGCUGBNGXPN-XKZIYDEJSA-N 379.291 3.438 50 40 GGGB O=C(NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1cc(-c2ccccc2)on1 27263332 SKTCMGAZVDCSHX-AWEZNQCLSA-N 397.818 3.007 50 40 GGGB O=C(NNc1ccccc1C(F)(F)F)c1cccc(N2CCCS2(=O)=O)c1 12975320 JKIYCZMOMQNCID-UHFFFAOYSA-N 399.394 3.002 50 40 GGGB COc1cc(/C=N\NC(=O)Nc2cc(C)cc(C)c2)ccc1O[C@H](C)C(=O)O 409010092 JLXRVDXKTDSOSH-WHJAWBAWSA-N 385.420 3.320 50 40 GGGB Cc1ccc(/C=N/NC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)c(O)c1 4321623 ZTQOSHKVUPVEBA-PCLIKHOPSA-N 398.466 3.444 50 40 GGGB COc1ccc(/C(C)=N\NC(=O)CSc2nc3cc(OC)ccc3n2C)cc1 5381063 RCFRALYJYRVMBW-XKZIYDEJSA-N 398.488 3.223 50 40 GGGB COc1cc(C(=O)N/N=C(\C)c2ccc(-n3ccnc3)cc2)cc(OC)c1OC 6651534 JYVHTYKWAAALFK-OEAKJJBVSA-N 394.431 3.052 50 40 GGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cn3nc(C)cc3C)o2)cc1 7061789 PMHAGKFXXQOBHW-WSDLNYQXSA-N 394.431 3.087 50 40 GGGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2)cc1 408800716 OSZDTRDSXZZWDB-LDADJPATSA-N 377.444 3.444 50 40 GGGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(NC(=O)C2CCCCC2)cc1 674526 NIPNFKOFKSHWRU-UDWIEESQSA-N 384.392 3.471 50 40 GGGB C[C@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2 12581325 LWVRSQOODCYEMW-JTQLQIEISA-N 378.837 3.011 50 40 GGGB CCOc1ccc(CC(=O)N/N=C\c2cc(Cl)c(OC)cc2OC)cc1 408711884 OXESECWJRSBYKR-MTJSOVHGSA-N 376.840 3.449 50 40 GGGB O=C(O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])o1 408598928 LGMIUOQBPBLUDW-RGVLZGJSSA-N 379.328 3.317 50 40 GGGB COCCNC(=O)/C(C#N)=C/c1cn(Cc2cccc(F)c2)c2ccccc12 5007795 RLVQBSYZHPASFX-SFQUDFHCSA-N 377.419 3.498 50 40 GGGB CC1=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(C(N)=O)cc1 721263 UTLKAWYFHJSKQV-UHFFFAOYSA-N 390.287 3.314 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCC(=O)O 5006547 VUPZEJMNQMUHQG-HZZLXMEWSA-N 386.448 3.151 50 40 GGGB CCOC(=O)c1c(N/C(SC)=C(/C#N)C(=O)OC)sc2c1CCCC2 5461127 HJOFVTZPOLOXFZ-SDNWHVSQSA-N 380.491 3.487 50 40 GGGB COc1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 5525092 GCGJDVQPHYSWOC-OBGWFSINSA-N 387.443 3.177 50 40 GGGB CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)cc1 12765650 GSTQLJGXXUCUML-AWEZNQCLSA-N 383.473 3.372 50 40 GGGB CCN(CC)c1ccc(/C=N\NC(=O)c2cncc(Br)c2)c(O)c1 13564278 RPAWAZRJWGUIQO-JMIUGGIZSA-N 391.269 3.160 50 40 GGGB Cc1cc(C)cc(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)c1 20208466 FNPHJWSCXGVNSA-UHFFFAOYSA-N 379.526 3.286 50 40 GGGB C/C(=N\NC(=O)CNC(=O)c1ccccc1Br)c1ccc(C)cc1 33634131 KDOSIDGOOVTEAA-FYJGNVAPSA-N 388.265 3.028 50 40 GGGB COc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 408532834 REUJVYHKZLAALC-LSFURLLWSA-N 396.325 3.184 50 40 GGGB N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccccc12)C(=O)Nc1cccnc1 409166655 DRDZPPFUZISPBJ-SFQUDFHCSA-N 399.454 3.204 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(Cl)c1O 409255948 MOPOTEUBNWXGOB-DJKKODMXSA-N 393.783 3.125 50 40 GGGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(O)c(OC)c2)ccc1OC 409316042 KNQJCFHGWKOOJU-JMIUGGIZSA-N 378.812 3.225 50 40 GGGB C#CCOc1cccc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)c1 409323546 PXVSUJVOOCSHIM-KQWNVCNZSA-N 378.428 3.426 50 40 GGGB COc1cc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)ccc1OC(C)C 8838118 KBKSUOGJPBTAEJ-WSDLNYQXSA-N 379.420 3.031 50 40 GGGB N#Cc1ccccc1OCC(=O)N/N=C/C(Br)=C\c1ccccc1 57420719 LTSBIFGYQSHANA-KWKWCMDVSA-N 384.233 3.475 50 40 GGGB Cc1ccc(/C=N/NC(=O)[C@]2(C)CC2(Br)Br)s1 2752882 LKBCJTOWSBLPAB-ZFGNZVLRSA-N 380.105 3.403 50 40 GGGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)cc1OC 409318883 YMQZUXLAAXFRRZ-HAHDFKILSA-N 394.427 3.045 50 40 GGGB Cn1cc(/C=N/NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 67196984 IAOJNRLTWGSKQS-AWQFTUOYSA-N 386.795 3.269 50 40 GGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CC(C)C)cc1 20244093 PMOUUOHNDQLADV-LPYMAVHISA-N 383.448 3.209 50 40 GGGB C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc(N(C)C)c(F)c3)cc2C1 48303330 RWYBJTKZUUEVFT-NSHDSACASA-N 375.469 3.153 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(OC)c1O 6180731 XNDBNVBJNJJULW-LSHDLFTRSA-N 382.338 3.121 50 40 GGGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CCC2 1422420 XDAIBTHKRWSCGJ-DEOSSOPVSA-N 396.450 3.406 50 40 GGGB COc1cc(C(=O)N/N=C/c2ccc(Br)cc2)cc(OC)c1OC 1501054 RCMJIYYXJOWOOP-VXLYETTFSA-N 393.237 3.239 50 40 GGGB Cc1cc(C)c(NCC(=O)NNC(=O)c2cccnc2SC(F)F)c(C)c1 10162264 ZVGMFMDOZXXYQD-UHFFFAOYSA-N 394.447 3.195 50 40 GGGB CCOc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)cc1 20210642 OSKBYHDVDUCDJX-UHFFFAOYSA-N 395.525 3.068 50 40 GGGB COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=C(C)C)cc2)CC1 57294235 RNQQDSFIRQOITI-UHFFFAOYSA-N 380.492 3.143 50 40 GGGB N#C/C(=C/c1cccc([N+](=O)[O-])c1O)C(=O)NCCc1c[nH]c2ccccc12 408956928 ZHFJNYDBBSPVTC-GDNBJRDFSA-N 376.372 3.048 50 40 GGGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)cc1 8748652 DSLIQJVEVWKCHK-INIZCTEOSA-N 390.420 3.266 50 40 GGGB COc1ccc(OCC(=O)N/N=C\c2ccc(N3CCCCC3)cc2OC)cc1 409233374 VJZUMAMRABOHKW-HAHDFKILSA-N 397.475 3.223 50 40 GGGB CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccccc1 2363652 SKGUBLVZNFGRAV-DTBMRADHSA-N 377.469 3.167 50 40 GGGB CC(C)(C)OC(=O)[C@@H]1C[C@@H](I)CN1C(=O)OC(C)(C)C 1565504835 PFNSQCKVHVWPPF-ZJUUUORDSA-N 397.253 3.141 50 40 GGGB CC/C(=N/NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(OCC(N)=O)cc1 33393202 CQKRXMVKNCYFQO-QQTULTPQSA-N 397.519 3.388 50 40 GGGB C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 1425058 RMBPTVLQKITDTD-PTPOTIKZSA-N 398.238 3.336 50 40 GGGB C/C(CC(=O)Nc1cccc(C#N)c1)=N\NC(=O)c1ccccc1Br 16137128 RWCWVWQOYIBYKG-WSDLNYQXSA-N 399.248 3.455 50 40 GGGB CC/C(=N/NC(=O)c1cccs1)c1ccc(OCCN2CCOCC2)cc1 19841430 VDQKXDMRIVESSD-UZYVYHOESA-N 387.505 3.003 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1 408530654 MKTAMJNGNCJNJM-SRZZPIQSSA-N 389.297 3.386 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2cccc(I)c2)cc1 408535163 XUTDQPHIEJWUAG-VXLYETTFSA-N 393.228 3.162 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OC 409046416 RGAPSFTZVAEQIM-KEBDBYFISA-N 392.253 3.203 50 40 GGGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)COc1cccc(N(C)C)c1 408960858 OWUUUKHQFVGGOE-HAHDFKILSA-N 380.492 3.190 50 40 GGGB CCn1c(SCC(=O)N/N=C(\C)c2ccco2)nnc1-c1ccc(C)cc1 1246798 SUWDLCCTBILWDM-XSFVSMFZSA-N 383.477 3.499 50 40 GGGB COc1cc(C(=O)N/N=C/c2ccsc2)ccc1I 4739382 BGBPVRJRPOJFPI-VIZOYTHASA-N 386.214 3.125 50 40 GGGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)cc1 4948940 RZTGRZIFFOBMSZ-QGZVFWFLSA-N 393.468 3.406 50 40 GGGB O=C(COC(=O)c1ccccc1Oc1ccccc1)NNC(=O)c1cccs1 11481135 KXYDYYCTWAGEMF-UHFFFAOYSA-N 396.424 3.158 50 40 GGGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1C 14822437 QURWXRHOFFDMKL-GJZGRUSLSA-N 390.867 3.339 50 40 GGGB C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1 100505495 KKVNQYWVBZCMRP-HWPLOXAPSA-N 380.404 3.219 50 40 GGGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc5ccccc5c4)[C@@H]13)[C@H]2Br 408684103 JNLBAXZDWCVSRI-IKIFYQGPSA-N 386.245 3.349 50 40 GGGB COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2 409141733 JWBMCALKDIZYHX-MRXNPFEDSA-N 388.265 3.188 50 40 GGGB COc1ccccc1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 4750809 MDROYIAHHPSXJG-ZVHZXABRSA-N 385.423 3.314 50 40 GGGB Cc1nc(N)[nH]c(=O)c1CCCNc1ccc(CCCCC(=O)CCl)cc1 8618951 YKQOHUMFPYEKJC-UHFFFAOYSA-N 390.915 3.226 50 40 GGGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c(OC)c1 108012968 RDCUKOWCYJUYRU-HYARGMPZSA-N 382.464 3.264 50 40 GGGB Cc1cc(/C=N/NC(=O)CSc2ncccn2)c(C)n1-c1ccc(F)cc1 28217107 KTLOFCANPJYTMJ-FOKLQQMPSA-N 383.452 3.266 50 40 GGGB C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)C[C@@H](C)c1ccccc1 8984315 KLYBXCSOJMEAMU-KGLIPLIRSA-N 382.489 3.438 50 40 GGGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C 408995461 AHMPWNHLGPNOPD-MQMKENTISA-N 386.477 3.433 50 40 GGGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(SCCO)c([N+](=O)[O-])c1 32124628 VSIGXZLIKKPNLC-UVTDQMKNSA-N 399.428 3.233 50 40 GGGB C/C(=N\NC(=O)c1cc(C)nc2c1c(C)nn2C)c1cccc(OC(F)F)c1 36611666 SFSBHGREHFMBQF-FOKLQQMPSA-N 387.390 3.341 50 40 GGGB CCn1c(C)nc2cc(C(=O)NNC(=O)CCOc3ccc(C)c(C)c3)ccc21 36397558 FNWWXNCKTWQIKY-UHFFFAOYSA-N 394.475 3.212 50 40 GGGB O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccn1 44774318 PBKAAJJAOYBWRM-KGLIPLIRSA-N 378.457 3.202 50 40 GGGB Cc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1ccccc1 8108226 JFSXMBNUTJDDMW-GWJNGDFSSA-N 375.428 3.384 50 40 GGGB O=C(NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1)c1ccc(F)cc1 781768 XPLOMPAEKJITPZ-UHFFFAOYSA-N 383.423 3.419 50 40 GGGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc2c(cc1Br)OCO2 4578176 QOGSGSHRKRPWFB-WEKJFGCDSA-N 379.254 3.454 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OC(C)=O 7889813 SCNOLSXNCQYCRU-HYARGMPZSA-N 377.400 3.175 50 40 GGGB CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(C(F)(F)F)cc2)cc1 40142930 ZPGNHZUASXRYSB-UHFFFAOYSA-N 396.365 3.333 50 40 GGGB C/C(=N\NC(=O)c1cccc(Br)c1)c1ccc2c(c1)OCCO2 408592591 ZOGMNGPHAVVMAN-YBFXNURJSA-N 375.222 3.374 50 40 GGGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1 408708299 OYEKPYVILHFWOR-UFFVCSGVSA-N 379.247 3.323 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1cccs1 3101631 UNHAXDXJYCMLQO-SRZZPIQSSA-N 381.413 3.135 50 40 GGGB O=C(Cc1ccc(F)cc1)NNC(=O)c1ccccc1OCc1ccccc1 24925378 RLQYEQILUNXXAK-UHFFFAOYSA-N 378.403 3.408 50 40 GGGB CCc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 22932191 VXAONOHCGRNOKU-BUVRLJJBSA-N 398.938 3.170 50 40 GGGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCC(C)C)cc1 408605165 KTWIMFRCFHPMNV-KRWDZBQOSA-N 398.488 3.279 50 40 GGGB C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1cccc(F)c1 409357024 IFLWLFPBZRVLFK-FNORWQNLSA-N 390.230 3.366 50 40 GGGB CCc1cc(N2C[C@@H](C(=O)Cl)CC2=O)cc(C)c1I 45889743 GXSANGVDCQDBNR-JTQLQIEISA-N 391.636 3.280 50 40 GGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccn(Cc2ccc(Cl)cc2)n1 694870 BHRSRDYCZMUGRP-RGVLZGJSSA-N 383.795 3.257 50 40 GGGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)o1 409082398 SGADLBKVYMNALV-BHGWPJFGSA-N 388.383 3.109 50 40 GGGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)c1ccc(O)cc1O 4402032 BIDAPAWJPGQIFH-UFFVCSGVSA-N 375.812 3.194 50 40 GGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2)cc1OCC 408528704 IBWGFWJZVZUQIT-LPYMAVHISA-N 386.835 3.280 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(Cl)c1O 6207192 BCHXNLFYJSJERH-KEBDBYFISA-N 378.812 3.225 50 40 GGGB COc1ccc(C)cc1[C@H](CC(=O)O)CC(=O)N(CCCl)CCCl 1873913 LXPABYKPTUGLRY-ZDUSSCGKSA-N 376.280 3.258 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 59436923 GVMIBXORSVDBDV-XQNSMLJCSA-N 381.476 3.072 50 40 GGGB Cc1occc1C(=O)NNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 32668436 YVLAAJPCXBYHBA-UHFFFAOYSA-N 378.432 3.253 50 40 GGGB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1OC 8567892 OGEQNDQOHWDTAJ-KRWDZBQOSA-N 392.390 3.451 50 40 GGGB O=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)c1cccnc1 32999824 KVTYXFPWHKEDIB-UHFFFAOYSA-N 377.469 3.365 50 40 GGGB O=C(Oc1ccc([N+](=O)[O-])c2cccnc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 103438115 ORRLZZIHOBVBCO-UHFFFAOYSA-N 384.260 3.179 50 40 GGGB CCn1c(SCC(=O)N/N=C/c2cccc(O)c2)nnc1-c1ccc(C)cc1 1474374 HTCLBXAHCQZQHO-CIAFOILYSA-N 395.488 3.221 50 40 GGGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 2394953 IGUDPUDEGXPCQX-YTRQYYDFSA-N 375.350 3.209 50 40 GGGB COc1cc(Br)ccc1OCC(=O)N/N=C(\C)c1ccc(O)cc1 5221869 XIFGBAIKQMHUEM-YBFXNURJSA-N 393.237 3.083 50 40 GGGB C[N+](C)(C)CC(=O)N/N=C(\C=C\c1ccccc1)C[C@H]1OC(=O)c2ccccc21 6482964 UOZWALISYBCCPJ-IXHOHKMASA-O 392.479 3.180 50 40 GGGB O=C1CC[C@@H]2[C@@H]3C[C@H]4N(CC[C@]45c4ccccc4N1[C@@H]25)C/C3=C\CBr 6583414 NHUQKLCOSVGDHY-MPPUOAKCSA-N 399.332 3.479 50 40 GGGB Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCC1)S(C)(=O)=O 20212677 XGJXGGOQYFFPPO-UHFFFAOYSA-N 385.917 3.241 50 40 GGGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCCC(N)=O)cc2)c1C 32931738 NCCZTUOUVBWVKY-QGOAFFKASA-N 394.475 3.315 50 40 GGGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C 408709103 XSGIDUOMFJYXEA-OEAKJJBVSA-N 382.464 3.114 50 40 GGGB Cc1ccc(NCC(=O)NNC(=O)c2ccc(Br)cc2F)c(C)c1 12644764 WEOCZCQFNAVGAQ-UHFFFAOYSA-N 394.244 3.078 50 40 GGGB CCOc1ccc(C(=O)NNC(=O)c2oc3ccc(OC)cc3c2C)cc1OC 12735169 JUYCWARLPLCKFN-UHFFFAOYSA-N 398.415 3.232 50 40 GGGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N32)c1 12276210 HDIIJLLLBVZTDC-KKSFZXQISA-N 396.443 3.477 50 40 GGGB C/C(=N\NC(=O)Cc1ccccc1)c1ccc(I)cc1 408766276 BEWCIUOSEPUNBR-LDADJPATSA-N 378.213 3.374 50 40 GGGB N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@H]1c1cccs1 409126067 APPVPAXGVBJPFO-CQSZACIVSA-N 383.498 3.136 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1C 832151 JJEWJRLMSHMCOW-VXLYETTFSA-N 377.238 3.295 50 40 GGGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(F)cc3)C2=O)cc1 1888501 DNAHVQPLERDBQC-IMGOXIFKSA-N 381.432 3.046 50 40 GGGB O=C(Cc1ccc(F)cc1)NNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 12789726 CRKBBUQCZZXRPN-UHFFFAOYSA-N 394.377 3.200 50 40 GGGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccco1 59383229 LIYNZKZWMZUWAC-SRZZPIQSSA-N 377.356 3.025 50 40 GGGB COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 59516236 AQONWGMEINDTFJ-JYQBEENSSA-N 394.258 3.330 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)OC 408792000 GJIKDTIKTCUDTJ-GZTJUZNOSA-N 394.427 3.491 50 40 GGGB CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccccc4Cl)[C@H]3[C@H]1CC2 108267532 WHMVSIICGXGYPV-HDBZGKQISA-N 375.863 3.226 50 40 GGGB Cn1c(SCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1ccccc1 2314668 RDLLMXFRUYQFNW-RGVLZGJSSA-N 385.880 3.378 50 40 GGGB COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc(OC)c1OC 2743221 RQIOIVCKFUPMSO-OVMKCGGTSA-N 392.839 3.283 50 40 GGGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccccc1Br 408739748 FFMHPHZEKONKMB-BBJIBYMTSA-N 399.248 3.204 50 40 GGGB O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1ccc2c(c1)OCO2 9949829 FASVNUHIUKQPOJ-UHFFFAOYSA-N 399.255 3.275 50 40 GGGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCCCOC 408807662 DGFIQLAONJAICS-GXDHUFHOSA-N 379.254 3.074 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(O)c1 409391226 IBOLKXVOMOJPJK-RGVLZGJSSA-N 381.344 3.333 50 40 GGGB COc1ccc([C@H](CNC(=O)/C(C#N)=C/c2cccc(OC)c2)N(C)C)cc1 32202902 ZUHZUTQCMYBJJK-QFTJCQGQSA-N 379.460 3.030 50 40 GGGB COc1ccccc1CC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 12754969 OIUOHLPVYREBHV-HNNXBMFYSA-N 378.428 3.006 50 40 GGGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)c1 2213516 MPXMPSBEHPOIJZ-LJQANCHMSA-N 389.411 3.025 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2OC)c(OC)c1 1786125 NZLYJWQDFQQGSC-FOWTUZBSSA-N 392.411 3.132 50 40 GGGB COc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1Br 59333593 LOQNGYOOUONZKV-WTKPLQERSA-N 388.059 3.215 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(OC)c1OC 39884674 HUQHULKVJNECJC-MDWZMJQESA-N 383.360 3.166 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1 9355309 KSXWBNFCUICFBZ-FBCYGCLPSA-N 398.202 3.445 50 40 GGGB COCCOC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 5981683 VNQQMCHWWLGWRY-UNOMPAQXSA-N 388.427 3.090 50 40 GGGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc(OC)cc2)o1 409373290 SXSZXQQHJUMFBC-OEAKJJBVSA-N 392.411 3.435 50 40 GGGB N#CC1=C(N)Oc2c(Br)cc(Br)cc2[C@@H]1C(C#N)C#N 1323850 VKCYCRDGBNCMSB-NSHDSACASA-N 394.026 3.045 50 40 GGGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1OC 59101413 KXOUUEGADWTEIL-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3oc4ccccc4c3C)ccc21 6634438 DANICZMGFZUKBW-UHFFFAOYSA-N 376.416 3.494 50 40 GGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N32)cc1 12275403 JMVIXPMDUYXWGT-LAUBAEHRSA-N 396.443 3.477 50 40 GGGB COc1cc(/C=C/C(=O)NNC(=O)c2ccc(C)cc2)ccc1OC(F)F 3301610 OIDWVHXUFXFQER-UXBLZVDNSA-N 376.359 3.079 50 40 GGGB O=C(O)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 6321830 VWWCDUMQAYGQAJ-DJKKODMXSA-N 399.384 3.037 50 40 GGGB NNC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cc12 226360369 PQKUXNYNUHKPFI-UHFFFAOYSA-N 387.193 3.176 50 40 GGGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])s1)CO2 1828972 LKZJDEQNMRAMJE-VTNJTDAWSA-N 389.433 3.244 50 40 GGGB CCOC(=O)COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 818641 PJBQHYXDEQNTLM-LJQANCHMSA-N 396.443 3.079 50 40 GGGB CC(=O)N[C@@H](C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 1496612 PZIJIKSHBVHPDC-JOCHJYFZSA-N 377.380 3.346 50 40 GGGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 2697920 DTNBQVXOFREIEW-SFHVURJKSA-N 376.412 3.477 50 40 GGGB N#CC1=C(SCC(=O)N2CCCC2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 6495436 KFRQOEYOGHKASM-CQSZACIVSA-N 375.881 3.034 50 40 GGGB CC(C)Oc1ccc(C(=O)NNC(=O)CC2(C(=O)O)CCCCCC2)cc1 12602389 AXNACFDCCDAASO-UHFFFAOYSA-N 376.453 3.050 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(O)c1 409390197 BYFBOYIUIBCFPE-SRZZPIQSSA-N 380.356 3.123 50 40 GGGB COc1ccc(SCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 33492542 URCNZBLLCLUVBP-NVMNQCDNSA-N 379.825 3.499 50 40 GGGB C[N+](C)(C)CC(=O)N/N=C(/C=C\c1ccccc1)C[C@H]1OC(=O)c2ccccc21 5811362 UOZWALISYBCCPJ-DXFDTRFFSA-O 392.479 3.180 50 40 GGGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(N)=O)N(c3ccccc3)C2=O)cc1C 2238971 HQZFOKGBGALBJO-DTBMRADHSA-N 377.469 3.215 50 40 GGGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(Cn2cccn2)cc1 14139296 VRMABOQTNPEGLP-UHFFFAOYSA-N 392.503 3.299 50 40 GGGB COc1cccc(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1OC 6993254 PWNLOMFKGRCTEM-UHFFFAOYSA-N 388.489 3.499 50 40 GGGB O=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccncc1 7777030 PWONRQVCTSVUCU-UHFFFAOYSA-N 381.819 3.389 50 40 GGGB C/C(N)=C(\C#N)C(=O)CSc1nc(-c2ccccc2)c2c(C)cc(C)nn12 21722519 VTUBTTDQCPAWLC-PEZBUJJGSA-N 377.473 3.431 50 40 GGGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N4CCOCC4)cc3)cc2c1 409186732 HDQAVNCTWVVTOY-HAHDFKILSA-N 393.443 3.432 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(N)=O 409202931 UKABUILEDSLADS-YVLHZVERSA-N 393.443 3.112 50 40 GGGB N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)NCc1ccco1 408826705 CLCDJXWNSZPIIP-NYYWCZLTSA-N 395.198 3.273 50 40 GGGB O=C(N/N=C\c1cc(Br)c(Br)o1)c1ccccc1O 36175034 PGKJGHIDOUVLIK-UUASQNMZSA-N 388.015 3.274 50 40 GGGB O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cc2c(s1)CCC2 7379617 VAJGAXHKCZZIIN-UHFFFAOYSA-N 391.301 3.167 50 40 GGGB CCN(CC)c1ccc2cc(/C(C)=N/NC(=O)c3cccnc3)c(=O)oc2c1 9886213 IUMOEEXHGBQPTL-OEAKJJBVSA-N 378.432 3.188 50 40 GGGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@H]1c1ccc([N+](=O)[O-])cc1 20238219 NPSUDQHPHPUFDL-INIZCTEOSA-N 396.428 3.403 50 40 GGGB N#CC1=C2SCN(Cc3cccnc3)CN2C(=O)C[C@@H]1c1ccc(F)cc1 20348037 VCJDDSPIGSQKBK-QGZVFWFLSA-N 380.448 3.436 50 40 GGGB COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408873446 RPBKDJBHTGLZSF-AWNIVKPZSA-N 387.779 3.228 50 40 GGGB CN(C)c1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409245489 UOENFXNLFWNKCK-JAIQZWGSSA-N 378.245 3.347 50 40 GGGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(OC[C@@H]2CCCO2)c1 12737093 DQIPFILSRPYBED-SXYIGIQMSA-N 398.503 3.222 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCC3)c2C)c(C)c1 58912518 KPSXJWYJFQDXGJ-OEAKJJBVSA-N 380.492 3.174 50 40 GGGB CCOc1ccc(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408834480 UJQMVMOTAKYPPV-LFIBNONCSA-N 394.383 3.116 50 40 GGGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Cl)c1OCC(=O)O 408954977 NZTLKTPWPTUJCR-OEDZOIHSSA-N 394.855 3.088 50 40 GGGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OC 408904563 LLVIXBUXLPSYGQ-JMIUGGIZSA-N 399.359 3.131 50 40 GGGB O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)Nc1ccccc1 408850442 AFVMHCUGFMRPNG-WQRHYEAKSA-N 393.241 3.034 50 40 GGGB Cn1cc(Br)c(C(=O)N/N=C/c2cc3ccccc3nc2Cl)n1 998591 IJKMSSBRDCYLTR-CNHKJKLMSA-N 392.644 3.148 50 40 GGGB COc1ccc2nc(NC(=O)COC(=O)/C(C#N)=C\c3ccccc3)sc2c1 6373196 GIWPSMJRRJDCMH-ZROIWOOFSA-N 393.424 3.394 50 40 GGGB CCCN1C(=O)[C@@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C)C[C@H]32)c2ccccc21 4103628 TVMAWGLOBOWAHG-RGNVDHMSSA-N 397.482 3.437 50 40 GGGB CCOC(=O)Cn1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c2ccccc21 107902272 XZPDPWNNEDERAU-XLDKJPEYSA-N 381.476 3.481 50 40 GGGB COC(=O)c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 107717806 HGYNMYBZUUBIPV-VXLYETTFSA-N 383.385 3.360 50 40 GGGB C[C@H](Oc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1)C(=O)O 59249793 UTDSOZYLXGSPAN-VSMYLPJWSA-N 391.221 3.065 50 40 GGGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccccc1-n1cccc1 7889972 VVGOEMVUXKRRCR-RCCKNPSSSA-N 380.473 3.139 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OC)cc1OC)c1ccccc1 408978485 ISMYQUXDEVVIRK-OVBDPADQSA-N 399.447 3.031 50 40 GGGB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNc1ccccc1 5376066 NJOGIIVVYQGISY-UKTHLTGXSA-N 375.500 3.093 50 40 GGGB COc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OCc1ccccc1 21630164 JKJJAEANDQWVMG-UHFFFAOYSA-N 390.468 3.492 50 40 GGGB CCc1ccc2c(CC(=O)NNC(=O)CN3CCCc4ccccc43)coc2c1 8029191 GJKITASICXMMAK-UHFFFAOYSA-N 391.471 3.138 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OC 255626974 PRDBSDXPKIDVGQ-CYVLTUHYSA-N 391.471 3.350 50 40 GGGB CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cc(C)cc(C)c2)cc1 4405655 ASIJEZMYGYVMRI-BUVRLJJBSA-N 380.448 3.396 50 40 GGGB O=C(NNC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc(F)cc1 24839543 LIRILQVQQZTVLI-UHFFFAOYSA-N 389.383 3.075 50 40 GGGB COc1ccccc1NC(=S)N/C=C(/C#N)S(=O)(=O)c1ccc(C)cc1 8651953 KDMURHGIEJOFEA-QINSGFPZSA-N 387.486 3.129 50 40 GGGB CCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2ccccn2c1=O 2221984 TWCGCCNWUWWSOR-FOWTUZBSSA-N 388.427 3.147 50 40 GGGB O=C(NNC(=O)c1cnccn1)c1ccc(COc2ccc3ccccc3c2)cc1 12787486 MNZLKAOTAIDLHN-UHFFFAOYSA-N 398.422 3.284 50 40 GGGB O=C(CCC(=O)N/N=C/c1ccc(Br)s1)NCc1ccccc1 4523891 GOZVPOAXFAHKPG-YBFXNURJSA-N 394.294 3.057 50 40 GGGB COc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 867441 UEEQPTWXHMRZNF-WSDLNYQXSA-N 398.850 3.372 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1cccs1 993681 WVJQJJFCRVBVIU-RGVLZGJSSA-N 398.444 3.161 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(Cl)c1OC 6892271 LNDCUEJZVUDHLI-SRZZPIQSSA-N 389.839 3.470 50 40 GGGB Cc1cccc(NCC(=O)N/N=C/c2cc(Br)cc(C)c2O)c1 1433565 IGBQWYFPTRIQOR-AWQFTUOYSA-N 376.254 3.334 50 40 GGGB COc1ccccc1/C=C(\C#N)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1452894 BFFHIZDRDQOMQQ-JLHYYAGUSA-N 381.457 3.280 50 40 GGGB Cc1ccc(S(=O)(=O)/C(C#N)=C\N2CCN(Cc3ccccc3)CC2)cc1C 58161108 BXNYFZBWKCJWIB-XLNRJJMWSA-N 395.528 3.260 50 40 GGGB O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cccnc1 10038644 XGDCGAUTDOIJLZ-LPYMAVHISA-N 376.372 3.333 50 40 GGGB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNc1c(F)c(F)cc(F)c1F 7141211 JFJVLQLLEXKRRX-UHFFFAOYSA-N 399.388 3.019 50 40 GGGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(O)cc1 5128151 WILVGPQXLCOBMC-SRZZPIQSSA-N 378.344 3.252 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1OCC 5431807 JEQDSILJRKJJQB-LGVXEURYSA-N 397.475 3.202 50 40 GGGB Cc1cc(C)n2nc(C(=O)NN(Cc3ccccc3)Cc3ccccc3)nc2n1 15814405 JWOSFZWQTWMFSP-UHFFFAOYSA-N 386.459 3.088 50 40 GGGB CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2)cc1 100030050 MWVUSMVQPXHBKI-FSJBWODESA-N 386.839 3.433 50 40 GGGB COC(=O)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 1427503 YEWVVCSBKODJAM-AWQFTUOYSA-N 381.215 3.309 50 40 GGGB Cc1cc(/C=N/NC(=O)CC2(C)OCCO2)c(C)n1-c1ccccc1Cl 58917412 NTYWFYLQBWLLNR-CIAFOILYSA-N 375.856 3.351 50 40 GGGB COc1ccc(C(=O)CSC2=C(C#N)C3(CCCC3)[C@H](C#N)C(=O)N2)cc1 2051443 NTFRCJHDEJTWRU-OAHLLOKOSA-N 381.457 3.176 50 40 GGGB CN1c2ccccc2C2=C([C@H](c3ccccc3Cl)C(C#N)=C(N)O2)S1(=O)=O 20558341 LIUJINGOLYIELE-MRXNPFEDSA-N 399.859 3.296 50 40 GGGB N#C/C(=C\c1cccc(OCc2ccc(C#N)cc2)c1)C(=O)NC[C@H]1CCCO1 409192754 ALTPVWLOSSHDBK-JGZDWKDESA-N 387.439 3.339 50 40 GGGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1cccc(O)c1 33045803 GRFRRXVGCPXKHS-HZHRSRAPSA-N 389.459 3.250 50 40 GGGB Cc1occc1C(=O)NNC(=O)[C@@H](Oc1ccccc1Br)C(C)C 44281535 ZDQQQUZFVYSAJP-HNNXBMFYSA-N 395.253 3.215 50 40 GGGB Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)NC3CCCCC3)cc2)cc1 3089102 AZFLYWCFQKNCLT-BUVRLJJBSA-N 393.487 3.473 50 40 GGGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 104303582 NRNNLLCRRZRDCU-SQFISAMPSA-N 379.445 3.004 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)CCC2)C12CCN(C(=O)OCc1ccccc1)CC2 809309 XKUOZATYGGNDNY-UHFFFAOYSA-N 393.443 3.137 50 40 GGGB COc1ccc(OC)c(-c2csc(N(CCCN(C)C)C(=O)CCl)n2)c1 4186949 NRMBYBHVORRFEK-UHFFFAOYSA-N 397.928 3.351 50 40 GGGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)NCC(C)C)=C2C#N)cc1 6306841 ODPIFMGFGOGZIE-OAHLLOKOSA-N 389.546 3.253 50 40 GGGB COc1ccccc1C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1 6949307 CQFGYYULAXKTLQ-YBFXNURJSA-N 376.254 3.288 50 40 GGGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)OCCO1 38534879 RSACYUTXGJCXKP-VXLYETTFSA-N 393.783 3.111 50 40 GGGB CCOc1cc(C(=O)NNC(=O)c2cc(C)oc2C)cc(OCC)c1OCC 6329941 KVWDNYZAQIOUEK-UHFFFAOYSA-N 390.436 3.167 50 40 GGGB COc1cccc2cc(C(=O)N/N=C/c3ccc(N4CCOCC4)cc3)oc12 409106147 MHJAEVDPDCQRTN-HYARGMPZSA-N 379.416 3.042 50 40 GGGB N#CC1=C(N)n2nc(C(F)(F)F)nc2N[C@H]1c1ccc(Cl)cc1Cl 4292523 JYPIIUHDZPSFMO-VIFPVBQESA-N 375.141 3.421 50 40 GGGB biogenic COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 40961679 CLLDXDXMMVSQNK-QGMBQPNBSA-N 395.824 3.205 50 40 GGGB Cc1sc(/C=N/NC(=O)COc2ccccc2Br)cc1[N+](=O)[O-] 1085524 HJADAVHVFDWPPT-FRKPEAEDSA-N 398.238 3.256 50 40 GGGB CCCN1C(=O)/C(=N\NC(=O)COc2cccc3ccccc23)c2ccccc21 5855696 UENHULLUIHEJKS-LVWGJNHUSA-N 387.439 3.496 50 40 GGGB C[C@@H](Sc1ccccc1)C(=O)NNC(=O)c1ccc(Br)cc1 17330605 UIJQFGVIZACGSB-LLVKDONJSA-N 379.279 3.391 50 40 GGGB C/C(=N/NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc([N+](=O)[O-])c1 13619130 FRISPOGIIQOEPD-ODLFYWEKSA-N 394.347 3.047 50 40 GGGB CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Cl)cc4)[C@@H]3[C@H]1CC2 100450545 VQFVQSKBUXDLQC-OAOYMFHYSA-N 375.863 3.226 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccccc2)cc1I 4784670 UETIXNBXMFDZFF-LICLKQGHSA-N 380.185 3.064 50 40 GGGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)o2)cc1[N+](=O)[O-] 409141816 BYDJOIOVZATSOK-CIPMJJFUSA-N 379.372 3.347 50 40 GGGB C#CCOc1cccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1 408526185 AVWVASGQDNVZEK-WYMPLXKRSA-N 375.350 3.280 50 40 GGGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)N1CCCCCC1 6282337 FTMCNWAAJNOYHZ-XQNSMLJCSA-N 379.460 3.118 50 40 GGGB CC(C)N1C(=O)/C(=N/NC(=O)c2cccc(Br)c2)c2ccccc21 6327551 NMANWQBBCASCLM-CAPFRKAQSA-N 386.249 3.338 50 40 GGGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2coc3ccc(C)cc3c2=O)cc1 3172511 ZESHFMJPKYFVIM-FSJBWODESA-N 391.427 3.279 50 40 GGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)cc1OC 1068193 ZKKMMGINWYGPOR-QGZVFWFLSA-N 392.390 3.451 50 40 GGGB N#CCn1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc21 6896908 JATQDOGJCWJQRU-SRZZPIQSSA-N 393.428 3.315 50 40 GGGB O=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 1956257 KSOGQTAJOWSQEB-PXLXIMEGSA-N 382.420 3.035 50 40 GGGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(N2CCCC2)o1 59138296 IHUOFGYPJQVVHY-YBFXNURJSA-N 392.253 3.415 50 40 GGGB O=C(CNc1ccccc1)N/N=C/c1cc(Cl)cc(Br)c1O 4711936 LLDARCGZCOSJDD-UFWORHAWSA-N 382.645 3.370 50 40 GGGB COc1cc(NC(=O)NNC(=O)Nc2cccc(F)c2)c(OC)cc1Cl 83919860 RXZVKPYPUNWRNQ-UHFFFAOYSA-N 382.779 3.355 50 40 GGGB COc1ccc(OC)c(/C=N\NC(=O)Cc2ccc(Br)cc2)c1 36144834 CZDBSLHDGMNEFP-ODLFYWEKSA-N 377.238 3.159 50 40 GGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(C)c(OC)c1)c1ccccc1 408979515 MOEPKZBLZODVNV-OVBDPADQSA-N 383.448 3.331 50 40 GGGB O=C(NNC(=O)c1nc(-c2ccccc2)oc1N1CCCCC1)c1ccccc1 41154326 KWBMRFYDHHBFKK-UHFFFAOYSA-N 390.443 3.407 50 40 GGGB O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1Br 59435805 JTICKKLBGGHHDT-GIJQJNRQSA-N 380.629 3.191 50 40 GGGB O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc(Cl)cc1Cl 2282034 BOXCBMCQLCWOOH-UHFFFAOYSA-N 377.183 3.175 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OCc1ccccc1 5916063 IQGLACJLPHTAOG-YDZHTSKRSA-N 392.411 3.449 50 40 GGGB Cc1sc2nc(CC(=O)N/N=C/c3ccc([C@@H]4C[C@@H]4C)o3)[nH]c(=O)c2c1C 7119171 AQKFVFRBNBIFJQ-YAIYLCGDSA-N 384.461 3.011 50 40 GGGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1ccc(-n2cccc2)cc1 409073314 MECOPAZFJHMDMH-ULJHMMPZSA-N 388.471 3.386 50 40 GGGB CCc1cc(C)cc(OCCOc2ccc([N+](=O)[O-])cc2/C=N/NC(C)=O)c1 41078014 GZBHKSKPZRMIEO-FYJGNVAPSA-N 385.420 3.393 50 40 GGGB CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 658081 QGRDIVXTZVYJOU-VXLYETTFSA-N 377.784 3.419 50 40 GGGB Cn1c(SCC(=O)N/N=C/C=C\c2ccccc2[N+](=O)[O-])nc2ccccc21 12428128 NSKPVIWWYIXTDV-UARQRVSZSA-N 395.444 3.389 50 40 GGGB CC/C(C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O)=N\NC(N)=O 4579354 MFKVNILODNXRLM-BRABVMKYSA-N 379.416 3.455 50 40 GGGB O=C(CCCC[C@H]1CCSS1)N1CCN(CCc2ccccn2)CC1 96116413 PHHWWVPIPFCFBF-SFHVURJKSA-N 379.595 3.482 50 40 GGGB biogenic COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(Br)o2)cc1 5634366 YRQZRVVKDMGSSI-OCKHKDLRSA-N 389.209 3.205 50 40 GGGB COCCN1C(N)=C(C#N)[C@H](c2ccc(OC)c(C)c2)C2=C1CC(C)(C)CC2=O 409135717 RXZRSVUSFXMMKR-FQEVSTJZSA-N 395.503 3.386 50 40 GGGB COc1ccc2c(c1)c(C(=O)N/N=C\c1ccc(OC)c(OC)c1)c(C)n2C 33350824 VWDDDPXOEJCEPF-UUYOSTAYSA-N 381.432 3.276 50 40 GGGB COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1O 408718736 CSTFGGJEJBVLQF-QNKPWWDESA-N 381.270 3.440 50 40 GGGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1 3109419 AOBMNONMWDZWPN-YDZHTSKRSA-N 387.395 3.432 50 40 GGGB CC[C@H](Br)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 20132492 IMMMURKMVMVYTF-NSHDSACASA-N 384.299 3.245 50 40 GGGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 104635747 UVKPLDLBDHOADB-SSZFMOIBSA-N 377.425 3.192 50 40 GGGB C[C@H]1CCCCN1C(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 6455730 RLBCPZBKDXNPIU-XJKSGUPXSA-N 387.480 3.299 50 40 GGGB COc1ccc(COc2ccc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cc2)cc1 408734961 MDUCMPFHDJEZMK-JJEHFPDLSA-N 392.455 3.476 50 40 GGGB O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1COc2ccccc2O1 4498804 WRKGUVAXLIASQU-POJBONIESA-N 393.355 3.145 50 40 GGGB CCCCOC(=O)[C@H](Br)[C@H](Br)C(=O)OCCCC 1686292 WOHNIDNINFYOAI-AOOOYVTPSA-N 388.096 3.200 50 40 GGGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCCC3)c2C)cc1 58911569 KGNYRYWALRNEAP-OEAKJJBVSA-N 396.491 3.002 50 40 GGGB COc1ccc(C(=O)N/N=C(\C)c2cccc(I)c2)cc1 4578435 FYOWQDBUDLIRLK-WOJGMQOQSA-N 394.212 3.454 50 40 GGGB Cc1nc2ccccn2c1C(=O)N/N=C1\C(=O)N(CCC(C)C)c2ccccc21 100538230 GWHILNACHWFBSB-CLCOLTQESA-N 389.459 3.170 50 40 GGGB COc1ccc2c(C)cc(SCC(=O)NNC(=O)c3ccccc3)nc2c1 3427243 XAFFERWJQNUTDZ-UHFFFAOYSA-N 381.457 3.105 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1cccc(F)c1 5446486 SSZJYYYKQQKMGL-MRXNPFEDSA-N 376.347 3.163 50 40 GGGB CCOc1ccccc1NC(=O)NNC(=O)CSCc1ccc(F)cc1 17077185 GCGBNUFDUHRNMG-UHFFFAOYSA-N 377.441 3.311 50 40 GGGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCCC3)c2C)c1 408970747 DARAKXVVVKRIJA-HZHRSRAPSA-N 380.492 3.255 50 40 GGGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OCC 409314600 LUCNXNLDPBYSSN-HAHDFKILSA-N 396.443 3.269 50 40 GGGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(Cl)c2)c1 408844572 DRVZLKBBTFYJSS-QPEQYQDCSA-N 386.791 3.358 50 40 GGGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(I)cc1 409384219 BFVRRFMFRRJAHN-ZROIWOOFSA-N 391.212 3.387 50 40 GGGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)c1 409383451 VHEYDWDFIVAHGA-YDZHTSKRSA-N 377.400 3.295 50 40 GGGB CCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2O)cc1OC 38377058 JCPATYXZGVCSFA-GRSHGNNSSA-N 393.237 3.326 50 40 GGGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2277518 KWEIREZCXWUGOR-XFXZXTDPSA-N 396.428 3.180 50 40 GGGB COc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(Br)c2)cc1 100355044 WAZFGUFDYYDNIF-ODLFYWEKSA-N 377.238 3.159 50 40 GGGB CCOC(=O)NNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1 32904278 CSDVBOBOHHIAHM-UHFFFAOYSA-N 379.775 3.122 50 40 GGGB COc1ccc(OC)c([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2C)c1 818273 AAMDXYIGHOLWEH-GOSISDBHSA-N 381.457 3.312 50 40 GGGB COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 986705 CVBQDQWEXMXALN-UHFFFAOYSA-N 376.412 3.202 50 40 GGGB aggregator CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)NC2CCCCC2)c1C 2762254 FPFHIQMAKJQPDJ-UHFFFAOYSA-N 386.901 3.473 50 40 GGGB C[N+]1(CC(Br)(Br)CBr)CCCCC1 3164420 UXWVLLKCSAKOJL-UHFFFAOYSA-N 378.954 3.498 50 40 GGGB O=C(CNC(=O)c1ccccc1C(F)(F)F)N/N=C/c1c[nH]c2ccccc12 4086386 TVMSRFWSQBRNMQ-KIBLKLHPSA-N 388.349 3.067 50 40 GGGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 4173336 NERVIDVPOXOBJR-XYOKQWHBSA-N 396.428 3.180 50 40 GGGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)CCc1c[nH]c2ccccc12 12995096 MIPCWJFZOKPKCN-UHFFFAOYSA-N 385.851 3.289 50 40 GGGB O=C(N/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1)c1cccc(Cl)c1 32124772 QEKUGGIWEQXLES-ZDLGFXPLSA-N 379.825 3.097 50 40 GGGB O=C(c1ccccc1)[C@@H](Br)[C@@H](C(=O)O)[C@@H](c1ccccc1)[N+](=O)[O-] 4769318 LQPOHKIFSNKCPV-QLFBSQMISA-N 392.205 3.352 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1434943 DJNKSVYMFOKSNC-OEAKJJBVSA-N 399.410 3.109 50 40 GGGB COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1 59502234 ROSVNQUOZLVGOF-LICLKQGHSA-N 380.185 3.064 50 40 GGGB CC(=O)c1cccc(NC(=S)NNC(=O)COc2ccc(F)cc2Cl)c1 6511725 HIUPMZCABXMSCI-UHFFFAOYSA-N 395.843 3.078 50 40 GGGB CCc1ccccc1N(CC(=O)NN=C1CCCCCCC1)S(C)(=O)=O 408866413 HFKXXNBTQUFTOC-UHFFFAOYSA-N 379.526 3.232 50 40 GGGB O=C(N/N=C/c1ccccc1)C(=O)Nc1ccccc1OC(F)(F)C(F)F 3083833 VMBZFHLRSVPRGA-LSHDLFTRSA-N 383.301 3.012 50 40 GGGB COc1cccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)c1 408588297 IWVJRAXIEBHAPB-RQZCQDPDSA-N 378.182 3.130 50 40 GGGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1OCC 409333857 JYOZZFMAPDXNOR-HMAPJEAMSA-N 384.432 3.431 50 40 GGGB CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1ccc(Cl)c(Cl)c1 408906596 ICVNPIHBNWGNKD-UHFFFAOYSA-N 392.308 3.196 50 40 GGGB O=C(N/N=C\c1ccc(-c2ccccc2C(=O)O)o1)c1cc([N+](=O)[O-])ccc1O 83326134 VBEAZXSVTPEJMW-JMIUGGIZSA-N 395.327 3.023 50 40 GGGB C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 14921401 FKPOSZPYLNZIRF-WOJGMQOQSA-N 392.209 3.277 50 40 GGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc2c1OCCO2 58915742 ZQTHTVAEQIKBTA-AWQFTUOYSA-N 381.215 3.294 50 40 GGGB COc1ccc(/C=C/C(=O)NNC(=O)Cc2cccc3ccccc23)cc1OC 4680329 FBFRQOPDJSECKP-ACCUITESSA-N 390.439 3.260 50 40 GGGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc(Br)c1 408997246 MFXKLJDJBJVXKL-VCHYOVAHSA-N 391.225 3.187 50 40 GGGB CCN(CC)[P+]1(N(CC)CC)NC(=O)c2ccccc2C(=O)N1CCCl 5446275 FOGCIHLYECUOGS-UHFFFAOYSA-O 399.883 3.472 50 40 GGGB CS/C(N)=N/NC(=O)CCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 16952796 RFJMVPXJYWHQNA-UHFFFAOYSA-N 383.688 3.074 50 40 GGGB COc1cc(OC)c(/C=N/NC(=O)c2ccccc2OC)cc1Br 5206493 IFZZWAJRCUFKTR-VXLYETTFSA-N 393.237 3.239 50 40 GGGB C/C(CC(=O)Nc1ccc(Br)cc1F)=N\NC(=O)c1ccco1 101506421 DEWYVPGRUUSRNR-DJKKODMXSA-N 382.189 3.316 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)CCOc2cccc(Br)c2)cc1 3131193 WKJBQXUREWQQGF-DEDYPNTBSA-N 390.281 3.434 50 40 GGGB CC(C)CNC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 6306835 KPLZEGMZZDBZAR-CQSZACIVSA-N 377.897 3.184 50 40 GGGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccc(Cl)cc1 3210694 LOMQVEQVMSAMOE-SRZZPIQSSA-N 384.823 3.069 50 40 GGGB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2nccnc2c1 2377012 CNSXYVDDKPXKOM-VEHGQVBJSA-N 385.468 3.019 50 40 GGGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 408673645 XIKMFHKYEIWZKQ-RPGGNQALSA-N 397.254 3.261 50 40 GGGB N#C/C(=C\c1cccnc1)C(=O)Nc1cccc(I)c1 408889319 CJYPTJARYFAJEP-KPKJPENVSA-N 375.169 3.232 50 40 GGGB CCCCCCC(=O)NN/C=C1/C(=O)N(c2ccc(C)c(C)c2)C(=O)N=C1O 38169857 GXDHOPKWFZUSIU-FOWTUZBSSA-N 386.452 3.202 50 40 GGGB COC(=O)N/N=c1\cc(C(=O)Nc2ccc(C)c(C)c2)oc2cc(O)ccc12 18252226 KDJBJIXYCVWETL-CJLVFECKSA-N 381.388 3.179 50 40 GGGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccccc1OC 627993 GEPPEQJZLMYXPS-GOSISDBHSA-N 376.412 3.477 50 40 GGGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(OC)c(OC)c2)cc1 818300 QECXMGGRKVREFZ-SFHVURJKSA-N 397.456 3.012 50 40 GGGB O=C([C@@H](Br)CBr)n1c(=O)oc2cc(Cl)ccc21 2345307 VIOIGMCJHGSWTH-LURJTMIESA-N 383.423 3.047 50 40 GGGB CCc1ccc(CC(=O)N/N=C/c2ccc(I)o2)cc1 409364330 OZXWYRANQSUBDC-LICLKQGHSA-N 382.201 3.139 50 40 GGGB COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1I 408550485 HFUITRFCTDFFGB-VCHYOVAHSA-N 394.212 3.372 50 40 GGGB O=C(CCCCC(=O)NN=Cc1ccc(F)cc1)NN=Cc1ccc(F)cc1 254840659 FCLZQLCTLWDKKK-UHFFFAOYSA-N 386.402 3.126 50 40 GGGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)n1 6189211 ISQJLYITQAOIHS-SSDVNMTOSA-N 376.416 3.041 50 40 GGGB Cc1ccc(NC(=S)NNC(=O)/C=C/c2ccc3c(c2)OCCCO3)cc1 13099011 UEUJDCWUEAUVJX-UXBLZVDNSA-N 383.473 3.187 50 40 GGGB Cc1cccc(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)c1C 408921147 FIQZOSOQRFWQNS-UHFFFAOYSA-N 379.526 3.286 50 40 GGGB CC[C@H]1CCc2sc(C(=O)NNS(=O)(=O)/C=C/c3ccccc3)cc2C1 7403018 VZDSJCMOYVUADD-VNDWYCCKSA-N 390.530 3.498 50 40 GGGB Cc1sc2c(c1C)c(=O)nc1n2[C@H](CI)CS1 907779 AMCQIWVXHLDILK-SSDOTTSWSA-N 378.260 3.157 50 40 GGGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCC1 59386588 SYJMHCLLORLGLP-HZHRSRAPSA-N 379.460 3.165 50 40 GGGB CCOC(=O)c1c(C)[nH]c(C(=O)N/N=C/c2ccc(Br)cc2)c1C 2686064 SGCLBCAAGJECMI-DJKKODMXSA-N 392.253 3.335 50 40 GGGB CC(C)Oc1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 6459441 DQZNHDUGAZAMFZ-UHFFFAOYSA-N 377.400 3.472 50 40 GGGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1cccc(F)c1 5774805 BUNQIMYCHQFRBH-HYARGMPZSA-N 398.415 3.357 50 40 GGGB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)c1 17248985 HCGSFXZTQIKFTB-INIZCTEOSA-N 389.371 3.212 50 40 GGGB Cc1ccc(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 409361516 HLLGYMBFRZJSKZ-DJKKODMXSA-N 375.222 3.179 50 40 GGGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 409235861 CRVMPGHZJJIAPZ-KGENOOAVSA-N 382.420 3.358 50 40 GGGB Cc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 31858950 NJASGJLDWRWAAO-HJRTWQQASA-N 394.500 3.357 50 40 GGGB O=C(N/N=C\C(Br)=C\c1ccccc1)[C@H]1COc2ccccc2O1 30760629 GHEFNNXELCDGNC-ABSMPKKZSA-N 387.233 3.364 50 40 GGGB CCN(CCCNC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccccc1 32795521 RLVGNGMVJVYWEI-UHFFFAOYSA-N 379.464 3.029 50 40 GGGB Cc1cccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 4179767 VEQCCHHNOMRGGE-HYARGMPZSA-N 396.447 3.423 50 40 GGGB Cc1ccc(OCC(=O)/C(C#N)=C2\Sc3ccccc3N2C)c([N+](=O)[O-])n1 5225967 VSMFYPYGOBAOFL-PDGQHHTCSA-N 382.401 3.223 50 40 GGGB CCCCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 6651048 CXGNADUSZFJCBV-MMTNMYCKSA-N 379.460 3.369 50 40 GGGB O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(=O)n(Cc2ccccc2Cl)c1 12605735 WBPZHMGYGGJNHW-UHFFFAOYSA-N 398.806 3.215 50 40 GGGB C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)c1cc(Cl)c2c(c1)OCCCO2 97124923 TVQIRKPQZUBZDA-SMDDNHRTSA-N 397.928 3.189 50 40 GGGB COc1cccc(C(=O)N/N=C(\C)c2cccc(I)c2)c1 408779538 YBLDIXVYTOFIRL-WOJGMQOQSA-N 394.212 3.454 50 40 GGGB Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C 8030083 IHRJUJYKLNGFJX-HNNXBMFYSA-N 386.423 3.020 50 40 GGGB O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccncc1 409143700 GTHWUKBORWYKMX-LPYMAVHISA-N 376.372 3.333 50 40 GGGB COc1cc(/C=N\NC(=O)CSc2cc(C)c3ccccc3n2)ccc1O 36270138 FLSPLGZLNOHGNQ-NHDPSOOVSA-N 381.457 3.500 50 40 GGGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccc(COc2ccc(F)cc2)cc1 252507972 WZASQKFRNWFVLP-FOKLQQMPSA-N 384.386 3.350 50 40 GGGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(NC(=O)c2ccccc2)c1C 8334535 CAKCRYWMGQSKQD-OEAKJJBVSA-N 390.443 3.261 50 40 GGGB O=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)c1ccccn1 8196497 MTZAMRGHHABMIW-UHFFFAOYSA-N 377.469 3.365 50 40 GGGB COc1cccc(/C=N/NC(=O)c2ccc(I)cc2)c1 10118609 PWAGEHGIYBEMRU-LICLKQGHSA-N 380.185 3.064 50 40 GGGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1ccc(O)cc1)C(C#N)=C(N)O2 1471901 IOIFCNULFAOTSC-FQEVSTJZSA-N 385.423 3.129 50 40 GGGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1cccnc1 59459346 CZQZSLLDCOYSAB-SRZZPIQSSA-N 388.265 3.252 50 40 GGGB C/C(=N\NC(=O)c1ccc(Br)cc1)C1C(=O)c2ccccc2C1=O 100468495 TZUWUFWHLZKQBU-KEBDBYFISA-N 385.217 3.250 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@]12C(=O)Nc1ccccc12 2595718 XQIJBLHREKVLOP-HXUWFJFHSA-N 389.802 3.055 50 40 GGGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(Br)s2)c1 409001163 UZGLISRYNCEWKS-MFOYZWKCSA-N 382.283 3.106 50 40 GGGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1O 5332809 PRTGECBIBFIPFF-KEBDBYFISA-N 392.253 3.116 50 40 GGGB CCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NC)N(c3ccccc3)C2=O)cc1 2231250 JQCSCSXQNOAYBI-HXTJDARSSA-N 391.496 3.421 50 40 GGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CC(C)C)cc2)cc1 817139 IVQPZXMGLDUQST-LPYMAVHISA-N 383.448 3.209 50 40 GGGB CO[C@@H]([C@H](O)c1ccc2c(c1)OCO2)P(=O)(c1ccccc1)c1ccccc1 1613362 KDRQDHKZFXFOJE-FGZHOGPDSA-N 396.379 3.435 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2F)c(OC)c1 1917635 BJAOMHUVWVXOCL-RVDMUPIBSA-N 380.375 3.263 50 40 GGGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2cc(OC)ccc2OC)cc1 818302 FHANSFVWGKUXBV-SFHVURJKSA-N 397.456 3.012 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3nncn3C)cc2)cc1 5164285 YOLXLXJXQFDAKG-HYARGMPZSA-N 395.488 3.270 50 40 GGGB Cc1cccc(OCC(=O)N/N=C\c2ccc(I)o2)c1C 9195895 IYUIZIPEVZNMLF-IUXPMGMMSA-N 398.200 3.030 50 40 GGGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NCCCn1ccnc1 16805619 BDUFDBHCPSFCJO-NTCAYCPXSA-N 391.387 3.165 50 40 GGGB CCOC(=O)NNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 32909256 UQZTXDLJCSEQIW-UHFFFAOYSA-N 391.221 3.071 50 40 GGGB N#Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1cccc(Cl)c1Cl 6981793 NHGAVSJOAVTVGU-CMDGGOBGSA-N 390.226 3.105 50 40 GGGB C/C(CC(=O)NC1CCCCC1)=N\NC(=O)c1ccc(Br)cc1 100530209 XNKPVKFOSIDOIX-UDWIEESQSA-N 380.286 3.394 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1O 1083295 VCSYSWWNVUUYTQ-LFVJCYFKSA-N 390.439 3.177 50 40 GGGB CN(CC(=O)NNC(=O)c1ccc(Cl)cc1)Cc1c(F)cccc1Cl 58157844 BTVBDMVJZXGMOM-UHFFFAOYSA-N 384.238 3.026 50 40 GGGB CCn1nnc2cc(C(=O)NNC(=O)c3cc4c(s3)CCCCCC4)ccc21 12697696 JWZINWZHWBVXLN-UHFFFAOYSA-N 397.504 3.247 50 40 GGGB COc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409007220 VNXPQRRQDYDOKS-OEAKJJBVSA-N 399.878 3.351 50 40 GGGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(N)=O)cc1 35110141 PSORJMMSTKLGDZ-IMGOXIFKSA-N 381.432 3.046 50 40 GGGB COc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 6684596 VHSORNVXSIGVTJ-CIAFOILYSA-N 395.371 3.393 50 40 GGGB C/C(=N/NC(=O)Cc1cccs1)c1ccc(NC(=O)CCCC(=O)O)cc1 4507168 JCKDBWXFDSHUAK-BKUYFWCQSA-N 387.461 3.024 50 40 GGGB O=C(COc1ccc(Br)cc1[N+](=O)[O-])N/N=C/C=C/c1ccco1 4721221 DIUKVUAFVIHPOL-FGLBKGJBSA-N 394.181 3.145 50 40 GGGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(I)o1 408795421 CCJXBUMOIDHOLI-SYBXUWECSA-N 384.217 3.486 50 40 GGGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)o1 409366621 XDRUSHUHFVWFMQ-ZVHZXABRSA-N 387.395 3.282 50 40 GGGB COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1F 40017447 RNHVXLFKJFYAFE-YRNVUSSQSA-N 394.402 3.227 50 40 GGGB Nc1c(SCCBr)cc(O)c2c1C(=O)c1ccccc1C2=O 255187340 CVVUWGVGAWMPJI-UHFFFAOYSA-N 378.247 3.237 50 40 GGGB COc1cccc2c(SCC(=O)N/N=C/c3ccc(O)cc3O)cc(C)nc12 5007023 WQLDNMHYVFKMMU-UFFVCSGVSA-N 397.456 3.205 50 40 GGGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)N1CCOCC1 5630874 FEGIIODHUYVZHW-LCYFTJDESA-N 386.791 3.064 50 40 GGGB COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N32)cc1 12275101 SIVKXVFYXYJTLP-IERDGZPVSA-N 396.443 3.477 50 40 GGGB CC(C)=NNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 20059258 PARIQRBEFRSGJT-UHFFFAOYSA-N 387.505 3.395 50 40 GGGB CCCCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 6651092 CXGNADUSZFJCBV-FSTGKYBXSA-N 379.460 3.369 50 40 GGGB CCc1ccccc1N1C(S)=C(C#N)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 4513619 VTSUCKDFRRKIDI-KRWDZBQOSA-N 380.429 3.457 50 40 GGGB COC(=O)COc1cccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c1 408830176 NMJWRHTXYXMAGN-NGZBARDMSA-N 386.473 3.010 50 40 GGGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)NC1CCCC1 409188061 FMRQBYAREQHOTO-WZUFQYTHSA-N 383.231 3.423 50 40 GGGB CCC1(COS(=O)(=O)c2ccccc2)COC(CCl)(CCl)OC1 68572161 CUAUYCBJXOVDKC-UHFFFAOYSA-N 383.293 3.009 50 40 GGGB biogenic O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cccc2ccccc12 19849299 PYEZWZLUILWVRL-UQQQWYQISA-N 386.499 3.108 50 40 GGGB CC(C)[C@H](Br)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 4070332 IEPGOZCZCFZSOJ-JTQLQIEISA-N 385.243 3.471 50 40 GGGB Cc1cc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)c(C)n1-c1ccc(F)cc1 105495949 XPRHOXZQJAPZDN-GFMRDNFCSA-N 390.418 3.344 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(N(C)C)cc1)c1ccccc1 408980664 RZQYXTKWONDRED-QTCOBDOFSA-N 382.464 3.080 50 40 GGGB Cc1ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(C)s2)s1 6279086 VCMZWJUMPQUYBZ-XOBNHNQQSA-N 376.507 3.197 50 40 GGGB O=C(NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O)Nc1ccccc1 23136072 BJEDFIBKZVPRRG-UHFFFAOYSA-N 396.834 3.017 50 40 GGGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 19848258 IRELQQBIWAKNDK-BUVRLJJBSA-N 395.503 3.318 50 40 GGGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 33959718 BIBDSBICXFCRJS-KEBDBYFISA-N 382.247 3.036 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1OCC 5246993 AUXAIRPEACMHGK-PXLXIMEGSA-N 389.496 3.163 50 40 GGGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(N)=O)N(c3ccccc3)C2=O)cc1C 2238967 HQZFOKGBGALBJO-KOXKPCSVSA-N 377.469 3.215 50 40 GGGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C(N)=O)CCCC2 4891956 QLXXQUOQMXQEBN-FMIVXFBMSA-N 396.428 3.180 50 40 GGGB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 4146915 JKXMIVLHIVOQSM-QGZVFWFLSA-N 390.399 3.018 50 40 GGGB COC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2c(C)cccn2c1=O 4205697 YWDKQUPECGYRSQ-RVDMUPIBSA-N 375.384 3.184 50 40 GGGB COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C)o2)c(Br)c1 4361510 YYHKXKQFUAPTBH-WOJGMQOQSA-N 381.226 3.278 50 40 GGGB Cc1ccccc1C(=O)NC1=N/C(=C(/C#N)C(=O)NCC(C)C)c2ccccc21 5307631 QOQJBWWRPZRIFR-VXPUYCOJSA-N 386.455 3.192 50 40 GGGB O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1O 15941066 IENDZTKUWFBDHH-UHFFFAOYSA-N 380.375 3.185 50 40 GGGB COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)COc1ccccc1OC 409232797 QATDWZACRKHSAF-HAHDFKILSA-N 397.475 3.223 50 40 GGGB COc1c(Cl)cc(Cl)cc1C(=O)n1cc(C(=O)NN)c2ccccc21 226367350 PIGCZSNQCSJAPW-UHFFFAOYSA-N 378.215 3.249 50 40 GGGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)ccc1O 8569240 JUENAFBNZZTHEE-OAHLLOKOSA-N 380.429 3.461 50 40 GGGB Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c2ccccc21 10891769 JIUVUSZSHXHMRV-UHFFFAOYSA-N 395.418 3.465 50 40 GGGB CCOC(=O)N/N=C(\C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 18192089 WDOIUWJTAZJNBX-XMHGGMMESA-N 375.450 3.266 50 40 GGGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1cccs1 408865864 FAILAOVLTQHNJV-XMHGGMMESA-N 393.534 3.178 50 40 GGGB Cc1cc(O)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3cccnc3)o2)n1 409108639 XVMQDVUZEUHLBE-XYOKQWHBSA-N 379.401 3.176 50 40 GGGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408729127 XQURNEGJUHLMID-SRZZPIQSSA-N 393.355 3.276 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)CSc2nc3cc(OC)ccc3n2C)cc1 30822799 RCFRALYJYRVMBW-LPYMAVHISA-N 398.488 3.223 50 40 GGGB O=C(NNC(=O)c1ccc(-c2ccc(Br)cc2)o1)c1ccncc1 6221918 YZPFADGXOBUZDV-UHFFFAOYSA-N 386.205 3.179 50 40 GGGB O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc(OC(F)F)cc1 12802214 RGLYCPDIZUWWHU-UHFFFAOYSA-N 386.807 3.495 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5127995 JUEICGLXSCKFSB-DJKKODMXSA-N 394.471 3.230 50 40 GGGB CC(C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408709138 XZXLWQCIFIWDOM-UFFVCSGVSA-N 376.819 3.197 50 40 GGGB Cc1ccc(CC(=O)N/N=C\c2ccc(I)cc2)cc1 409365685 RMDQMMSFKPOIDX-WQRHYEAKSA-N 378.213 3.292 50 40 GGGB COc1ccc(OC)c(C(=O)COC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)c1 3342047 MMOCTDAOSKJFAZ-WJDWOHSUSA-N 394.427 3.103 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 1055607 JZCUQOFLXCTEPC-HZHRSRAPSA-N 383.411 3.404 50 40 GGGB COc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1O 4322681 CSTFGGJEJBVLQF-SZPWCUKISA-N 381.270 3.440 50 40 GGGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)NCc1ccccc1 7156878 XNHMDXHMGNRDSC-MKMNVTDBSA-N 385.217 3.401 50 40 GGGB Cc1cc(C)c(NCC(=O)NNC(=O)Cc2c(F)cccc2Cl)c(C)c1 7183282 ROKFCLRTRQEXAK-UHFFFAOYSA-N 377.847 3.206 50 40 GGGB O=C(N/N=C\c1ccc(I)o1)c1cc2ccccc2o1 408858412 SABZYIAUFAOBJR-PXNMLYILSA-N 380.141 3.394 50 40 GGGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cc2cc(Br)ccc2o1 408855618 HGNMETRSJHSUAM-APSNUPSMSA-N 378.138 3.460 50 40 GGGB CC(C)CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 408807941 LROJLKJUNDBAFK-UDWIEESQSA-N 391.471 3.061 50 40 GGGB O=C(NN=C(c1ccccc1)c1ccccc1)C1CCN(c2cnccn2)CC1 71860566 PZAHZHUTVSCHSG-UHFFFAOYSA-N 385.471 3.262 50 40 GGGB CCOC(=O)[C@](NC(=O)CCl)(Nc1ccc(F)c(Cl)c1)C(F)(F)F 3103200 JDSIJGHRGSYAOH-GFCCVEGCSA-N 391.148 3.068 50 40 GGGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)COc1cccc(C)c1 4361546 OCNBQSRBWFJKJP-PCLIKHOPSA-N 397.519 3.341 50 40 GGGB Cc1cc2c(c(=O)o1)[C@@H](c1ccc(F)cc1Br)C(C#N)=C(N)O2 688797 CBRZIQFKSLCCQV-ZDUSSCGKSA-N 377.169 3.068 50 40 GGGB Cc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)Cc1c[nH]c2ccccc12 22753223 JWMWUWHKGMXVTP-UHFFFAOYSA-N 388.427 3.064 50 40 GGGB N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@H]1c1ccc(O)cc1 1244223 DDYCSVGOZFLGFB-KRWDZBQOSA-N 394.452 3.207 50 40 GGGB CCOc1cc(Br)cc(/C=N/NC(=O)c2ccccc2O)c1O 4815577 GOZCCZZRXNMDCY-GIJQJNRQSA-N 379.210 3.023 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccccc1 16437412 YPCQPCOHXOCNMH-QDDTUJKSSA-N 392.455 3.476 50 40 GGGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc2c(c1)n(C)c(=O)n2C 408885688 DWWVHUFQUDENLP-NTEUORMPSA-N 380.835 3.385 50 40 GGGB CCc1ccc2c(CC(=O)NNC(=O)Cc3c[nH]c4ccccc34)coc2c1 9909018 ROLJTQHWGWQEFC-UHFFFAOYSA-N 375.428 3.409 50 40 GGGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c2ccccc21 409382423 MDMRVZFILFCMPU-MHWRWJLKSA-N 376.416 3.265 50 40 GGGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccc(Cl)cc1Cl 6242136 ZCSVHHKLFSKVAD-GTQIFZCBSA-N 390.270 3.460 50 40 GGGB O=C(N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccncc1 6343717 WQJZINHMZRASFY-LYBHJNIJSA-N 390.830 3.416 50 40 GGGB COc1cccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 832010 RPHLVPWJFOLSAS-SNVBAGLBSA-N 383.231 3.231 50 40 GGGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)cc1 409125657 DPVOOGMCOWXDDX-OAHLLOKOSA-N 397.456 3.389 50 40 GGGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Cc1ccccc1[N+](=O)[O-] 7784698 WEOQDAVGOUDVOW-UHFFFAOYSA-N 396.428 3.030 50 40 GGGB O=C(CCc1cccc(Br)c1)NNC(=O)c1cccc(Cl)c1 36741671 IFHCEJCZCNNDLY-UHFFFAOYSA-N 381.657 3.496 50 40 GGGB O=C(N/N=C/c1ccco1)C1CCN(Cc2ccc(Br)cc2)CC1 5635801 GMOROUVRVSAVEN-UDWIEESQSA-N 390.281 3.404 50 40 GGGB COc1cccc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c1O 6189277 WAHZYMBKXGAALL-WSDLNYQXSA-N 378.432 3.026 50 40 GGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 825688 QFCABFNYYDYHNP-UHFFFAOYSA-N 399.516 3.314 50 40 GGGB Cc1cc(C(=O)NNc2ccc(I)cc2)cc(Cl)n1 2577954 GXBZHNXVBBTHAN-UHFFFAOYSA-N 387.608 3.405 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1I 4655614 LKSYWHLVTWHDAD-CQSZACIVSA-N 392.196 3.106 50 40 GGGB Cc1cccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 4852680 JBNASWYQSCCXNQ-GFCCVEGCSA-N 397.258 3.296 50 40 GGGB Cc1c(C(=O)NNS(=O)(=O)c2cccc(C(F)(F)F)c2)oc2ccccc12 7380348 HTACIRFJCCEVET-UHFFFAOYSA-N 398.362 3.383 50 40 GGGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(O)c([N+](=O)[O-])c1 36011466 ZZMCBYPZVDCGCP-SSDVNMTOSA-N 394.387 3.024 50 40 GGGB COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(C)=O 910164 DBJUJIJPXFAMIH-YDZHTSKRSA-N 398.459 3.447 50 40 GGGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(O)c1 4735369 JFFOQJORYSHVRM-YBFXNURJSA-N 377.238 3.246 50 40 GGGB O=C(Nc1ccccc1C(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccco1 6580809 RVSWWNUNOKEAAO-UHFFFAOYSA-N 388.383 3.088 50 40 GGGB CCN(CC)Cc1cc(/C(C)=N/NC(=O)CNc2ccccc2)ccc1OC 13095571 DYPOKJURTHECSU-JJIBRWJFSA-N 382.508 3.489 50 40 GGGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 13923103 MSHASPJVPCFXDT-KEBDBYFISA-N 380.231 3.481 50 40 GGGB C/C(=N\NC(=O)c1cc(C)nc2c1c(C)nn2C)c1ccc(OC(F)F)cc1 17079057 VJRCTSYIOGCUGU-FOKLQQMPSA-N 387.390 3.341 50 40 GGGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408612362 VCGYSSUTNXZWBX-FSJBWODESA-N 387.867 3.141 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OC)c(C)c1)c1ccccc1 408981197 VEYOXEITGRVBMG-SDLXJUDFSA-N 383.448 3.331 50 40 GGGB O=C(NC[C@@H](O)c1ccccc1)c1ccc(N(CCCl)CCCl)cc1 1736838 OGQAYRLWGFYCPQ-GOSISDBHSA-N 381.303 3.434 50 40 GGGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC[C@H]3C)=C2C#N)cc1 6477540 GRIMWRRQHFHHPD-WBVHZDCISA-N 383.517 3.468 50 40 GGGB Cc1ccc(SCC(=O)NNC(=O)Cc2nc(-c3ccccc3)oc2C)cc1 12787544 LBKIGCWUGIKEKA-UHFFFAOYSA-N 395.484 3.441 50 40 GGGB C/C(=N\NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2F)s1 46414808 ZIYBPIPARURIMW-HMHKGCENSA-N 394.493 3.219 50 40 GGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3N)o2)cc1 4062873 XTYCHWHRTIVGRX-YDZHTSKRSA-N 377.400 3.469 50 40 GGGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNC1CCCCC1 409383221 SPNZVKRHHYSHTK-CIAFOILYSA-N 394.313 3.386 50 40 GGGB CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccccc1[N+](=O)[O-] 409101012 OHUWYZJCOIYGBG-GRSHGNNSSA-N 377.784 3.176 50 40 GGGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1O 36216339 ZVTVPSMXPBAGTA-VXLYETTFSA-N 377.784 3.045 50 40 GGGB O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(C(=O)N/N=C/[C@@H]2C[C@@H]3C=C[C@@H]2C3)o1 226351216 AFAUUXNDJLKADH-HXSKNDRASA-N 392.459 3.135 50 40 GGGB O=C(NCc1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccccc1Cl 5583518 XYLXVGBQMKMRDT-NKVSQWTQSA-N 384.650 3.413 50 40 GGGB COc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1[N+](=O)[O-] 881085 FQYAWABHFLMECV-CIAFOILYSA-N 379.372 3.286 50 40 GGGB C/C(=N/NC(=O)CNC(=O)COc1ccccc1)c1ccc(Cl)c(Cl)c1 4807400 OBTBNFJSVVOLJJ-UUYOSTAYSA-N 394.258 3.029 50 40 GGGB CCOc1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1OC 13018905 ZKVODQWLDKPPQC-UHFFFAOYSA-N 386.492 3.461 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)n1 20986335 BLHTTWWBDGPVNJ-IPBDZQFASA-N 390.337 3.031 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)c(C)n1-c1ccccc1Cl 58912534 FATYFZQRWYPWSH-LPYMAVHISA-N 386.883 3.210 50 40 GGGB CCOC(=O)C/C(C)=N/NC(=O)CSCc1cccc(Br)c1 408720203 VTUNWRXKKLPJSI-GZTJUZNOSA-N 387.299 3.128 50 40 GGGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC)cc2)c1 408746592 SWWPBGNEAQPYAN-WJDWOHSUSA-N 380.400 3.183 50 40 GGGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C#N)cc1F 408967247 POCHQRIQVYNINN-AWQFTUOYSA-N 376.185 3.232 50 40 GGGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@@H](OC)c1ccccc1 408992718 BFOAKMGQODZXNV-ORTNRGLGSA-N 384.436 3.279 50 40 GGGB N#Cc1ccc(-c2ccc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])o2)cc1 409023953 OFHBSOCMBNDPKD-UUYOSTAYSA-N 390.355 3.256 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc([N+](=O)[O-])c1O 409241079 WYQXAHVYRVDVLR-WPBJZHHJSA-N 381.388 3.483 50 40 GGGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 2265754 ZPXDLYAHBQLKDL-VRVUXBDFSA-N 393.340 3.348 50 40 GGGB C=CCc1ccc(OCCn2cc(/C=N/NC(N)=O)c3ccccc32)c(OC)c1 27902682 UNHHHNHGLMDVPE-ZVHZXABRSA-N 392.459 3.460 50 40 GGGB O=C(CSCc1ccccc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1O 20248418 CPPBFPXNRXVVKF-QGMBQPNBSA-N 379.825 3.337 50 40 GGGB CCn1ncc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C(F)(F)F 253408379 XSOBFTQRAPCSFL-ZDUSSCGKSA-N 380.370 3.373 50 40 GGGB COc1cccc2ccc(/C=N/NC(=O)Cc3nc4cc(Cl)ccc4[nH]3)nc12 13553134 MEXTUDYHVLRIJK-SSDVNMTOSA-N 393.834 3.466 50 40 GGGB Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)c1C 7907335 FTMWLYDQEOSSHN-UHFFFAOYSA-N 385.489 3.035 50 40 GGGB COC(=O)[C@@H]1C(=O)NC(SCCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1 409148790 RTNMZDDMBDXKSU-OALUTQOASA-N 392.480 3.400 50 40 GGGB CCc1cc(N2C[C@H](C(=O)Cl)CC2=O)cc(C)c1I 45889739 GXSANGVDCQDBNR-SNVBAGLBSA-N 391.636 3.280 50 40 GGGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 6512664 UDBIBPRQSSSDCD-YBFXNURJSA-N 375.222 3.374 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)OC 6961015 QTACIAWCTOOANC-SRZZPIQSSA-N 390.823 3.054 50 40 GGGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1OC 6963849 VKXYURDFGVAAKD-VXLYETTFSA-N 377.784 3.419 50 40 GGGB C=CCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1 12545741 UTYCCGHJSOSVSK-UHFFFAOYSA-N 378.432 3.004 50 40 GGGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(O)cc1O 408719002 FCBKMLFOPCZPEX-QGMBQPNBSA-N 383.629 3.207 50 40 GGGB O=C(Cc1ccccc1)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1 408739455 WLAXKRMAUDVDMT-CJLVFECKSA-N 394.452 3.147 50 40 GGGB CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 408969466 NWMKHUSKOZAVRJ-WSDLNYQXSA-N 388.899 3.374 50 40 GGGB C=CCOc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OC 409016377 HXGDFFVMCUADPF-OYKKKHCWSA-N 391.427 3.337 50 40 GGGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(N)=O)c1C 409223785 HSEWWZMFJFROQS-OVCLIPMQSA-N 383.835 3.367 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1 10118452 NCGPJIAPHGOGJW-WOJGMQOQSA-N 393.228 3.121 50 40 GGGB COc1ccc(/C=C/C(=O)NN)cc1OCc1ccc(Br)cc1 216900853 CKZCBPJQFWJORD-WEVVVXLNSA-N 377.238 3.040 50 40 GGGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2OCC)[C@H](C#N)C(O)=N1 875437 LZOWUCRAMRNJNQ-SUMWQHHRSA-N 385.445 3.310 50 40 GGGB CC(C)Cn1c(=O)c(C(=O)N/N=C/c2cccc(F)c2)c(O)c2ccccc21 100534739 IPUUIPZFZHOYHI-FOKLQQMPSA-N 381.407 3.266 50 40 GGGB CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 855763 HIKDQXVTYFATOT-UFFVCSGVSA-N 399.403 3.150 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2C)C(=O)N1c1ccc(C)cc1 35110155 PBNXPMJVICQOMP-ODXGNSPJSA-N 391.496 3.476 50 40 GGGB Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2219952 XWLZRDCUAMXCOP-QAPCUYQASA-N 397.862 3.207 50 40 GGGB CCOC(=O)c1ccc(N/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 9419216 RCZRCBNAXGGEDK-CYUIRQCWSA-N 381.432 3.166 50 40 GGGB C[C@H]1CCc2sc(C(=O)NNC(=O)c3cccn3Cc3ccncc3)cc2C1 72280665 YVOUOQXMGQUUBR-AWEZNQCLSA-N 394.500 3.193 50 40 GGGB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NNC(=O)c1ccccc1 40119754 OMTAASGBXDQKOO-UHFFFAOYSA-N 382.851 3.146 50 40 GGGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1089048 XHKOBGKLDCMXTK-WSDLNYQXSA-N 388.387 3.085 50 40 GGGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(N)=O)cc1 934841 TVIUJECSBBNISR-QUWSGOTNSA-N 377.469 3.215 50 40 GGGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1O 57770380 SGZBZGOCFUWFNF-WQRHYEAKSA-N 378.428 3.361 50 40 GGGB O=C(COc1ccc(F)cc1F)OC(=O)Cc1ccc(Br)cc1 104156292 VVXXTDKZORPENK-UHFFFAOYSA-N 385.160 3.419 50 40 GGGB COc1ccc(CCC(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1 3429016 NJRSMWYIJYPCDH-UHFFFAOYSA-N 378.881 3.221 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccccc1 16663090 NPYITBWNSAWPDQ-SBOLGIJOSA-N 391.496 3.476 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC 16758967 PJHIDUVBPLFTOB-QPEQYQDCSA-N 383.360 3.166 50 40 GGGB CCc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(N)=S)cc2OC)cc1 408544644 WDASNIFOBKKFRL-YBEGLDIGSA-N 395.484 3.468 50 40 GGGB N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)N1CCOCC1 408761591 GSCXZKDRCJRWJZ-SFQUDFHCSA-N 396.830 3.325 50 40 GGGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(F)cccc3F)[C@H]2C1 33936224 BEVXILBRDMBEOP-HNAYVOBHSA-N 379.414 3.100 50 40 GGGB O=C(Cc1ccc(OC(F)(F)F)cc1)NNC(=O)c1c[nH]c2ccccc12 40120810 FAHXMKHGFMRERV-UHFFFAOYSA-N 377.322 3.070 50 40 GGGB CN(C)c1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1 919194 GPABMRQQDUECQB-WOJGMQOQSA-N 393.228 3.121 50 40 GGGB Cc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccccc1 8108221 JFSXMBNUTJDDMW-DUYDGHCJSA-N 375.428 3.384 50 40 GGGB C[C@@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O 12579856 ILWZOZIUBKAEMX-DLFJBECYSA-N 395.459 3.388 50 40 GGGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCC(C)C)=C2C#N)cc1 6306824 ODPIFMGFGOGZIE-HNNXBMFYSA-N 389.546 3.253 50 40 GGGB O=C1CC[C@@H]2[C@@H]3C[C@H]4N(CC[C@@]45c4ccccc4N1[C@@H]25)C/C3=C/CBr 104203502 NHUQKLCOSVGDHY-QFUQXZCFSA-N 399.332 3.479 50 40 GGGB COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)c1 12276167 PGIQRGOGJHNBDR-UWJYYQICSA-N 396.443 3.477 50 40 GGGB CC(C)(C)C(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@@H]2C1 4457885 RLBHERGLZQZNOF-SJORKVTESA-N 391.500 3.046 50 40 GGGB COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1OC 17077757 MOIJNIBLOORZSJ-GDNBJRDFSA-N 380.448 3.450 50 40 GGGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 408962627 INZFYLDFSIOTOZ-YDZHTSKRSA-N 377.366 3.306 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCC 409039539 WVIJLPRTWUESDR-KEBDBYFISA-N 392.253 3.405 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)OC 408742383 AFDGDQVNCITNDF-BOPFTXTBSA-N 394.427 3.491 50 40 GGGB CCc1ccc(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 409362572 ICWOSYSOEYMVIS-KEBDBYFISA-N 389.249 3.433 50 40 GGGB O=C(CSCC(=O)Nc1ccccc1)N/N=C\c1c(O)ccc2ccccc12 32116484 SDYUMPAATOFHQA-UUYOSTAYSA-N 393.468 3.367 50 40 GGGB O=C(N1CCN(c2ccc(Cl)cn2)CC1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 89794264 MHSGTMSVXJNQPU-RVSPLBMKSA-N 398.732 3.337 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)cc(Br)c1O 59921724 VKVGPJJDATUAOP-VXLYETTFSA-N 393.237 3.326 50 40 GGGB C=CCN1C(=O)/C(=N/NC(=O)CNc2ccc3ccccc3c2)c2ccccc21 4561779 XGUDQQBRIHTTLE-XTCLZLMSSA-N 384.439 3.305 50 40 GGGB CCCCC(=O)NN/C=C1/C(=O)N(c2ccc(C(C)C)cc2)C(=S)N=C1O 6782946 IDKIDWOKFXCLQF-RVDMUPIBSA-N 388.493 3.093 50 40 GGGB COC(=O)c1sccc1NC(=O)/C(C#N)=C/c1cccc(Br)n1 61718624 JEZJVIXFOLCDHG-VQHVLOKHSA-N 392.234 3.238 50 40 GGGB O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1coc(Br)c1 30598624 VYYWVYOXBVHPMD-UHFFFAOYSA-N 383.267 3.447 50 40 GGGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(F)cc1 58914544 PUMWGMHEPMLYLY-NHDPSOOVSA-N 396.334 3.083 50 40 GGGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccn1-c1cccc(C(=O)O)c1 409103774 YOBMSKSMARVJLI-WSDLNYQXSA-N 397.818 3.358 50 40 GGGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccc(O)cc1 408955090 WALINZYBECXLHX-GIDUJCDVSA-N 388.015 3.274 50 40 GGGB CC(C)c1c(C(=O)NNC(=O)Cc2ccccc2)cnn1-c1ccc(F)cc1 32796731 DSJKZEGZDJEHLM-UHFFFAOYSA-N 380.423 3.139 50 40 GGGB O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1cccnc1 793825 DKXRQIKAFXXSMI-REZTVBANSA-N 399.042 3.076 50 40 GGGB COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccc(O)cc3O)c2c1 871128 KYNYLWHOTVLRFP-UFFVCSGVSA-N 397.456 3.205 50 40 GGGB CC(=O)Oc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1 660211 MQOGVJWARSCUCK-HXUWFJFHSA-N 386.411 3.324 50 40 GGGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)c1 1242958 GBLYBGCVSHQRBF-AWEZNQCLSA-N 399.497 3.467 50 40 GGGB O=C(NN=C1C=CC(=NOC(=O)c2ccccc2Cl)C=C1)c1cccc(O)c1 6438488 NDYJYKLRCFGUOY-UHFFFAOYSA-N 395.802 3.470 50 40 GGGB COc1ccc(/C=N/NC(=O)COc2cccc(C)c2)cc1Br 1433444 MEUWTRDDTDOODO-VXLYETTFSA-N 377.238 3.295 50 40 GGGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccccc1O 4815572 PGKJGHIDOUVLIK-GIDUJCDVSA-N 388.015 3.274 50 40 GGGB CCc1sc(C(=O)NNC(=O)c2ccc(OCc3nccn3C)cc2)cc1C 40119781 LIXUEJFTKXYWBF-UHFFFAOYSA-N 398.488 3.006 50 40 GGGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CNc2ccccc2)o1 44395894 ZPPBJBKKMNCMEI-YDZHTSKRSA-N 377.400 3.295 50 40 GGGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccccc1Br 3101430 LLBPVABKTUNVSL-RGVLZGJSSA-N 399.248 3.413 50 40 GGGB COc1cccc(NC(=O)/C(C#N)=C2\SCC(=O)N2c2ccc(C)cc2)c1 3220861 KQRNPLGVKJQAFT-JZJYNLBNSA-N 379.441 3.457 50 40 GGGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 14042841 LGIBYAAOZAPWKX-DNTLAJCMSA-N 399.466 3.005 50 40 GGGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)NNC(=O)Cc1ccccc1 408995387 CDPMBTBVBWBDOQ-FOCLMDBBSA-N 399.450 3.342 50 40 GGGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)COc1ccccc1[N+](=O)[O-] 408961989 WPJHIZGXZFRUNX-BKUYFWCQSA-N 382.420 3.033 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1 408985434 LZGDQGDVIYRGFJ-YDZHTSKRSA-N 378.407 3.322 50 40 GGGB CN(C)c1ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc1Br 32138790 SPHKGAKQUZCGHQ-OCKHKDLRSA-N 390.237 3.008 50 40 GGGB Cc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccccc43)C3=C2CCCC3=O)cc1 4417969 FLCIFRDPWCJAES-DEOSSOPVSA-N 396.450 3.406 50 40 GGGB O=C(c1ccccc1)[C@@H](Br)[C@@H](C(=O)O)[C@H](c1ccccc1)[N+](=O)[O-] 4769317 LQPOHKIFSNKCPV-ILXRZTDVSA-N 392.205 3.352 50 40 GGGB COc1ccc2c(c1)c(C(=O)N/N=C/c1ccc(OC)c(OC)c1)c(C)n2C 2221242 VWDDDPXOEJCEPF-WSDLNYQXSA-N 381.432 3.276 50 40 GGGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)OC(C)C)c1 5469737 DPWIRNRYZWOQBE-DHDCSXOGSA-N 387.823 3.040 50 40 GGGB COc1cc(OC)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 19852781 DRQUBIINDDFDTK-JLTOFOAXSA-N 390.443 3.306 50 40 GGGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCOCC2)o1 408993086 CEEGOETYOBFDBE-RGVLZGJSSA-N 393.896 3.153 50 40 GGGB COc1ccc(C(=O)N/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 8334505 KDJQGCMDGOEKNY-OEAKJJBVSA-N 390.443 3.261 50 40 GGGB CCCCCC1=CCC/C1=N\NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 6686800 AGQPSDGMXHCFIE-HMMYKYKNSA-N 383.901 3.374 50 40 GGGB CCCN(CCC)CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21 102939435 VAHBDAGIYQXBFM-ATJXCDBQSA-N 378.476 3.247 50 40 GGGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 14042840 LGIBYAAOZAPWKX-OPCFLAAUSA-N 399.466 3.005 50 40 GGGB Cc1ccc(C(=O)N/N=C/c2ccc(O)c(I)c2)cc1 408964296 QQHPEFVEGMTZQV-RQZCQDPDSA-N 380.185 3.069 50 40 GGGB COc1cc(C(=O)N/N=C/c2ccc(F)cc2)ccc1I 408747302 LVHPOFVREOZUKI-GIJQJNRQSA-N 398.175 3.203 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2cc(C)cc(C)c2)c1 5379037 ZBPROZDCJBNXTP-HZHRSRAPSA-N 383.448 3.455 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2ccccc2)c(OC)c1 1786085 FBRKJQCNRCNNED-XMHGGMMESA-N 390.439 3.443 50 40 GGGB Cc1occc1C(=O)NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2657499 VFHMNXDUCITYJU-UHFFFAOYSA-N 377.611 3.388 50 40 GGGB O=C(CSc1nc2ccccc2s1)NNC(=S)NCc1ccccc1 16268011 GALHSCVFBNNFFB-UHFFFAOYSA-N 388.543 3.084 50 40 GGGB O=C(CCl)N(c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 217379619 FQIHIAIQSZAXCX-VIFPVBQESA-N 390.210 3.118 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)c(C)n1-c1ccccc1F 408973008 RGZKPRWSBFZLQA-OEAKJJBVSA-N 384.455 3.086 50 40 GGGB COc1ccc(C)cc1[C@@H](CC(=O)O)CC(=O)N(CCCl)CCCl 2041423 LXPABYKPTUGLRY-CYBMUJFWSA-N 376.280 3.258 50 40 GGGB CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 9232162 WASVKEOLCNWTCS-LSHDLFTRSA-N 394.258 3.159 50 40 GGGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(SC)cc3)CC2=O)cc1 409156424 ODRHMKXZUAHJAZ-VYZAVGSRSA-N 381.501 3.474 50 40 GGGB CCOc1ccc(/C=N\NC(=O)c2ccccc2NC(=O)C2CC2)cc1OC 31717346 IENJHSFARBRAML-XKZIYDEJSA-N 381.432 3.206 50 40 GGGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)o2)c1 5511461 MPTNIKRTWAGBPK-SSDVNMTOSA-N 392.367 3.226 50 40 GGGB O=C(N/N=C/c1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 9232954 ZTXUFSVFCQCQTC-WVISFHDSSA-N 376.243 3.497 50 40 GGGB C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)c1 59516289 XCSYVJQVJNZXTD-CIAFOILYSA-N 387.823 3.002 50 40 GGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2OC)cc1 409238791 LYYZNROWAIVUCC-LGMDPLHJSA-N 393.443 3.086 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc2c(cc1C)OCO2)c1ccccc1 408998127 AJIJJVJVTKXCBY-ORWNMUSCSA-N 397.431 3.051 50 40 GGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNc2ccccc2)o1 409382356 KMAKDQGLLVCZML-WSDLNYQXSA-N 394.387 3.426 50 40 GGGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 408742964 CYQOLWIJTDDRPB-GHXNOFRVSA-N 398.331 3.153 50 40 GGGB CCOc1cc(C=C(C#N)C#N)cc(I)c1OCC#N 2770676 GAOHACKMHVOGNN-UHFFFAOYSA-N 379.157 3.023 50 40 GGGB COc1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc(OC)c1OC 3086441 DZLQWPIHPUISBP-WSDLNYQXSA-N 380.400 3.335 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCCCC3)cc2)n1 4738889 VXHKFWBUQOPNTN-FYJGNVAPSA-N 383.521 3.326 50 40 GGGB Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3ccccc3-n3cccc3)cc2)n1 6510438 TWFYBAXYCYZIDK-UHFFFAOYSA-N 399.454 3.355 50 40 GGGB Cc1ccc(C(=O)NNC(=O)COC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 8921857 HUTUPOVYYBJSLG-MDWZMJQESA-N 380.444 3.136 50 40 GGGB CCOc1ccc(/C=N/NC(=O)c2cc3c(OC)cc(OC)cc3[nH]2)cc1OC 2206405 OOJGLNDPAHXCDX-WSDLNYQXSA-N 397.431 3.356 50 40 GGGB Cc1cccc(OCC(=O)N/N=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 4179786 CKRGDSSCCOVISB-FYJGNVAPSA-N 382.420 3.033 50 40 GGGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSc1ccc(Cl)cc1 8160017 HKUADGPIOAXNCC-GIJQJNRQSA-N 379.825 3.499 50 40 GGGB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNc1ccc(F)cc1 10027969 DKWISWLMMXYBDC-UHFFFAOYSA-N 391.468 3.066 50 40 GGGB COc1cc(/C=N\NC(N)=O)cc(Cl)c1OCCOc1ccccc1C 30734542 PVTXQPVGACHAJS-NHDPSOOVSA-N 377.828 3.117 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCC3)c2C)c(C)c1 58911525 QWODAMGQQXRYKC-YDZHTSKRSA-N 380.492 3.220 50 40 GGGB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C\c2ccco2)[C@@H]3CCC1 63395131 KTMFHSFGNAIASB-XBPUZACXSA-N 376.460 3.386 50 40 GGGB NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)c1 225502257 QTEVMYMXAUYABK-UHFFFAOYSA-N 399.497 3.242 50 40 GGGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC[C@H]3C)=C2C#N)cc1 6477674 GRIMWRRQHFHHPD-NVXWUHKLSA-N 383.517 3.468 50 40 GGGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1F 59101429 GEHLPVLKPHXTPO-ZVHZXABRSA-N 391.402 3.494 50 40 GGGB COc1ccc(CC(=O)N/N=C/c2ccccc2Br)cc1OC 408860278 XSOUKRURLXNMLV-YBFXNURJSA-N 377.238 3.159 50 40 GGGB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)CCCl)s1 4903703 HPSSPDDIEXUSKQ-SNVBAGLBSA-N 396.925 3.175 50 40 GGGB N#CC(C(=O)CSc1nc(-c2cccs2)n[nH]1)=C1Nc2ccccc2N1 58449068 KWBCNYTZRWBGQF-UHFFFAOYSA-N 380.458 3.467 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)c2cccnc2)cc1CSc1ncccn1 5163269 LUSVITUUTVOXNM-ZVHZXABRSA-N 393.472 3.327 50 40 GGGB O=C(CCc1ccccc1)N/N=C/c1cccc(I)c1 408872464 DUOPTPYYBBGPOI-LDADJPATSA-N 378.213 3.374 50 40 GGGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccccc1OC 4117051 ZYLQYLLHFQIVHF-LPYMAVHISA-N 399.451 3.012 50 40 GGGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(F)cc2)cc1Br 5175957 ZPGVQDGJQPQSSS-DJKKODMXSA-N 381.201 3.369 50 40 GGGB CC1(C)CCc2cc3c4c(/c(=N\NC(=O)CCCN)oc3cc2O1)CCCC4 32046731 GZGCODLZPUQCDP-NJNXFGOHSA-N 383.492 3.086 50 40 GGGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(C(C)C)cc2)cc1 10451930 IZORCDIVRSOHCC-UHFFFAOYSA-N 397.475 3.389 50 40 GGGB O=C(Cc1ccccc1)N/N=C/c1cc(Br)c(N2CCCC2)o1 59248052 LLJXWMIAEXBRMJ-XDHOZWIPSA-N 376.254 3.335 50 40 GGGB Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 8474849 FZXKEKPUTZRFRZ-VMACRQSTSA-N 384.657 3.158 50 40 GGGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Br 409146999 UVCXLOGPTADIFQ-QGZVFWFLSA-N 399.244 3.276 50 40 GGGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(F)cc1 408606817 QKXQEHSUNDHACY-MRXNPFEDSA-N 385.468 3.079 50 40 GGGB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)Oc1ccc([N+](=O)[O-])cc1 1565504815 NFXDSXBAKBFEBX-AWEZNQCLSA-N 379.413 3.473 50 40 GGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 59483186 HQVMJVGAOUONPL-MFKUBSTISA-N 391.471 3.374 50 40 GGGB CCOC(=O)/C(C#N)=C1/S[C@@H](C)C(=O)N1c1ccc(Br)cc1 5556095 RYZRWXIPTKSDRT-DMPSHJKHSA-N 381.251 3.216 50 40 GGGB C/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 17077724 WXLFQOYMNXZBDA-XKZIYDEJSA-N 380.404 3.406 50 40 GGGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 408673643 XIKMFHKYEIWZKQ-MDRZNBNDSA-N 397.254 3.261 50 40 GGGB CN(C(=O)C1CC1)c1ccccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 40143730 AOXWUKUQTKCMAN-UHFFFAOYSA-N 395.503 3.037 50 40 GGGB C/C(=N\NC(=O)c1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5150780 BKAFLHPFIGYJJJ-XSFVSMFZSA-N 383.429 3.234 50 40 GGGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2)cc1OC 408831521 ZTGPQQOJFKIVNX-UDWIEESQSA-N 387.233 3.234 50 40 GGGB CCOc1ccc([C@H](CC(=O)O)CC(=O)N(CCCl)CCCl)cc1 1873911 XDSPRPXPWIUNRJ-AWEZNQCLSA-N 376.280 3.340 50 40 GGGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccn3)c2C)c1 4090214 AKUFXYFIQZGRJN-ZVHZXABRSA-N 390.443 3.430 50 40 GGGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(OC)cc2O)o1 409390490 DHZRJFJSEDBZRD-WSDLNYQXSA-N 394.383 3.211 50 40 GGGB Cc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409359512 JVZNSOOSWQMIPT-NVMNQCDNSA-N 392.209 3.064 50 40 GGGB O=C(N/N=C\c1cc(Br)c(N2CCCC2)o1)c1cccc(O)c1 408849731 YUHJVDAECHKGND-ZDLGFXPLSA-N 378.226 3.112 50 40 GGGB NC(=O)Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 33794447 ZHGNAGFICSMSKY-GZIVZEMBSA-N 389.242 3.197 50 40 GGGB O=C(Cc1c(Cl)cccc1Cl)NNC(=O)c1cc(-c2ccccc2)n[nH]1 21900760 GYIVJCXMCGQMFX-UHFFFAOYSA-N 389.242 3.387 50 40 GGGB O=C(CCC(=O)c1cccs1)NNC(=O)c1ccc(COc2ccccc2)o1 21969928 UDIMSKXJRUTTCL-UHFFFAOYSA-N 398.440 3.344 50 40 GGGB O=C(COc1cccc2ccccc12)NNC(=O)c1cc(-c2ccccc2)n[nH]1 6653315 AHMNTRZXOYOBMC-UHFFFAOYSA-N 386.411 3.070 50 40 GGGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)c2c(c1)OCO2 36559131 JFLPFZZKAULZBF-HXUWFJFHSA-N 393.443 3.488 50 40 GGGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OC 8336647 AUUYEISMOZEVHK-UFWORHAWSA-N 394.884 3.006 50 40 GGGB COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OC(C)=O 5519569 BNQUFEXATFFXSW-FOKLQQMPSA-N 394.349 3.332 50 40 GGGB CCN1c2ccccc2C2=C([C@@H](c3ccc(F)cc3)C(C#N)=C(N)O2)S1(=O)=O 20558385 ITVGRVJQCLGZHA-KRWDZBQOSA-N 397.431 3.172 50 40 GGGB COc1ccc(/C(C)=N/OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1OC 5494749 DXTHKZRVQUIRFI-DHRITJCHSA-N 392.415 3.286 50 40 GGGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/NC(=O)c1cccnc1 72104775 DASAJPZSXSWVBU-LPYMAVHISA-N 379.291 3.438 50 40 GGGB Cc1ccc(C(=O)N/N=C\c2cccc(OC(=O)/C=C\c3ccco3)c2)cn1 100141077 HNZFUYHMYZYQMN-DBPZKMSDSA-N 375.384 3.366 50 40 GGGB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\NNC(=O)c1cccc(C)c1 408532672 QSLQLTQIECIYOB-BOPFTXTBSA-N 382.851 3.498 50 40 GGGB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C/c1cccs1 958354 WUNFHWVAUVOIEU-UFFVCSGVSA-N 394.481 3.337 50 40 GGGB Cc1ccc(-n2ncc(C(=O)NNC(=O)c3ccc(OC(C)C)cc3)c2C)cc1 24835708 FMOOZFTVZUNHDA-UHFFFAOYSA-N 392.459 3.351 50 40 GGGB Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)cc(C)c1O 108226093 HBJKVYYVNOSUHZ-OCKHKDLRSA-N 377.238 3.301 50 40 GGGB O=C(NNC(=O)c1n[nH]c2ccccc12)c1ccc(COc2ccccc2)cc1 9218529 HEMZJYHQGPRCBG-UHFFFAOYSA-N 386.411 3.217 50 40 GGGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccco1 408759766 LDXZVIQRJFJCCQ-UDWIEESQSA-N 379.328 3.171 50 40 GGGB Cc1cc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)c(C)n1-c1ccccc1 7409378 RUPPEYJUNFPWCC-BUHFOSPRSA-N 395.484 3.329 50 40 GGGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1C 14822435 QURWXRHOFFDMKL-CABCVRRESA-N 390.867 3.339 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)ccc1OCc1ccccc1 5464441 KODQEYIYUVVGBS-OEAKJJBVSA-N 397.475 3.029 50 40 GGGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 4544455 RITRUOGBNQAGFQ-GZQZNAIASA-N 394.427 3.031 50 40 GGGB CN(C(=O)CBr)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1F 33605832 XVSYYXIAMSDAFJ-UHFFFAOYSA-N 395.184 3.323 50 40 GGGB O=C(c1ccccc1)[C@@H](Br)[C@H](C(=O)O)[C@H](c1ccccc1)[N+](=O)[O-] 1664795 LQPOHKIFSNKCPV-KKUMJFAQSA-N 392.205 3.352 50 40 GGGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1Cl 25703387 AERATHBZFQXBHN-BLLMUTORSA-N 388.598 3.296 50 40 GGGB Cc1cc(OCC(=O)NNC(=O)COc2ccccc2)c(C(C)C)cc1Cl 2060043 YEIRXVDIYANFIN-UHFFFAOYSA-N 390.867 3.377 50 40 GGGB O=C(N/N=C/c1cccs1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 409157196 HYBQBGRCFXJUFN-PBFYJAPKSA-N 392.278 3.014 50 40 GGGB O=C(NNC(=O)[C@H]1CCOC1)c1cc(-c2ccccc2Cl)nc2ccccc12 66896872 JDYRRQUTGZTPJZ-ZDUSSCGKSA-N 395.846 3.353 50 40 GGGB CC(C)=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 408768284 DTOLYBUGTLCKLG-UHFFFAOYSA-N 387.505 3.319 50 40 GGGB CCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC(C#N)=C(N)N21 408602072 ADJKOOHXOBCSMA-QGZVFWFLSA-N 398.488 3.422 50 40 GGGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC3CCCCC3)o2)c1 409379780 ZLMDCAZBSDYVNS-ZVHZXABRSA-N 397.475 3.496 50 40 GGGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@@H]1c1cc(Cl)ccc1Cl 5568038 IFVNCEFCBVJNLK-BREBYQMCSA-N 377.153 3.265 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCc1ccccc1 5006544 SSNSTHNCQQJVFG-CPNJWEJPSA-N 380.444 3.334 50 40 GGGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ncccn1)c1ccccc1 17077533 NZHYLLWJEWFNIO-MTJSOVHGSA-N 379.401 3.300 50 40 GGGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)c(Cl)c2)c1C 409219988 WZHZASPBRKNVTN-OVCLIPMQSA-N 383.835 3.367 50 40 GGGB Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1 28215209 MHHUBGOLSZSXTE-WSDLNYQXSA-N 399.516 3.141 50 40 GGGB NNC(=O)c1ccc2nc(-c3cccc(I)c3)sc2c1 73635161 APZMVQVPJYKGHR-UHFFFAOYSA-N 395.225 3.171 50 40 GGGB COc1ccc(C(=O)C(Cl)C(=O)c2ccc(OC)c(OC)c2)cc1OC 100802042 UTBCOLJEEYXSQU-UHFFFAOYSA-N 378.808 3.394 50 40 GGGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)CC1 636927 XWEIGHIPMFJPCY-UHFFFAOYSA-N 379.526 3.161 50 40 GGGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccco1 1088094 PNBHERGNOKENER-UHFFFAOYSA-N 389.205 3.035 50 40 GGGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(F)cc1 8812058 JJJJHGLWSDTUMX-RGVLZGJSSA-N 375.197 3.364 50 40 GGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 107637013 GYNCMHNGEQLXIY-FYJGNVAPSA-N 391.387 3.108 50 40 GGGB CC1=C(C(N)=O)[C@H](c2ccco2)C(C#N)=C(SCc2ccc(C#N)cc2)N1 5264235 QIGYNPMOVOCUMQ-SFHVURJKSA-N 376.441 3.266 50 40 GGGB C/C(=N\NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc2c(c1)CCC(=O)N2 98054888 DPXKOSPRCJHWSY-WTJYETQFSA-N 379.460 3.496 50 40 GGGB COC(=O)COc1cccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 409126563 CQJUXHHUZNFZMU-VRCTWVPOSA-N 386.473 3.178 50 40 GGGB Cn1cc(Br)cc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2 16271021 ATSJUZDRTIDRMC-UHFFFAOYSA-N 396.310 3.193 50 40 GGGB CCOc1cc2c(cc1/C=N/NC(=O)c1ccc(N3CCCC3)cc1)OCO2 7386663 AZTVBOQTWSWDHM-LPYMAVHISA-N 381.432 3.178 50 40 GGGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2nccs2)cc1O 3617197 ZTISRFVZDNACNI-RUDMXATFSA-N 380.223 3.165 50 40 GGGB CC[C@@H](Br)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 20132489 IMMMURKMVMVYTF-LLVKDONJSA-N 384.299 3.245 50 40 GGGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1C 3384720 NDTYLZPBNGSLNT-NSHDSACASA-N 378.519 3.113 50 40 GGGB COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cccnc2)cc1 3408254 GDDVOYJGVBRRQB-ZVHZXABRSA-N 389.411 3.211 50 40 GGGB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2nccnc2c1 6357698 CNSXYVDDKPXKOM-WISACFTLSA-N 385.468 3.019 50 40 GGGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)/C(C#N)=C\c2ccccc2)c1 6404466 QCHFHIFTRFBTCO-PDGQHHTCSA-N 377.444 3.252 50 40 GGGB CCCOC(=O)c1cc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)ccc1Cl 6891042 NCOIXEVRYPREAB-GDNBJRDFSA-N 387.823 3.041 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)NC(C)C)c(C)n1-c1cc(Cl)ccc1Cl 58903878 QDGGQWNIJJWOSH-ZVBGSRNCSA-N 395.290 3.376 50 40 GGGB CCOC(=O)/C(C#N)=C/Nc1ccccc1NS(=O)(=O)c1cccc(F)c1 102395468 JSSOIBOHPXRWHH-OUKQBFOZSA-N 389.408 3.009 50 40 GGGB CC/C(C)=N/NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 408725727 GYRNJJXLXVICFV-RCCKNPSSSA-N 391.468 3.232 50 40 GGGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccco3)c2)cc1 408753440 IUDFDZUMVHXWAT-DEDYPNTBSA-N 384.413 3.120 50 40 GGGB COc1ccc(NC(=O)C(=O)NN=C2CCC(C(C)(C)C)CC2)c(OC)c1 59435602 WEKXKRQFCFFLFM-UHFFFAOYSA-N 375.469 3.351 50 40 GGGB C/C(=N\NC(=O)COc1ccccc1)c1cccc(I)c1 408786794 NUNKNOXYBFVGLU-LDADJPATSA-N 394.212 3.210 50 40 GGGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])cc(OC)c2O)cc1 408745601 UATDLKBIMGRQGE-JYRVWZFOSA-N 383.360 3.253 50 40 GGGB CC(C)(C)C1CCC(=NNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1 409112817 DEYYNDRNLUAAJL-UHFFFAOYSA-N 397.516 3.300 50 40 GGGB Cn1ccnc1Sc1ccc(/C=N\NC(=O)c2cccc(F)c2)cc1[N+](=O)[O-] 31908047 XQEDXPRIFQVGQG-NHDPSOOVSA-N 399.407 3.383 50 40 GGGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2)c1cccs1 5173129 LUPWEHJCURUSPK-SRZZPIQSSA-N 393.424 3.493 50 40 GGGB O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccccc2)cc1 1054459 KSWCZUZLUYXQSF-LPYMAVHISA-N 375.384 3.114 50 40 GGGB N#CC(C(=O)COC(=O)c1ccccc1Br)=C1Nc2ccccc2N1 6161262 BSRKIRCESNUQDF-UHFFFAOYSA-N 398.216 3.448 50 40 GGGB CC(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(C(C)C)c3ccccc32)cc1 5690147 GRKOGVVEMWBOQB-FLFQWRMESA-N 379.460 3.464 50 40 GGGB COc1cc(/C=N\NC(=O)c2ccccc2-n2cccc2)cc(OC)c1OC 28632479 DTCHYETZFZPDKN-HMAPJEAMSA-N 379.416 3.267 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCCOC 409205457 CYDVJBPCPHOXOW-LFIBNONCSA-N 386.473 3.395 50 40 GGGB Cc1cc(/C=N\NC(=O)CN2CCOCC2)c(C)n1-c1cccc2ccccc12 408992508 AGGMXBJPLKUBMU-IWIPYMOSSA-N 390.487 3.030 50 40 GGGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(OC)c2)cc1OC 38164943 UJOCONUPSOPFEQ-JMIUGGIZSA-N 378.812 3.138 50 40 GGGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1cccc2ccccc12 636466 FEUZAIVASAWNJW-UHFFFAOYSA-N 387.505 3.432 50 40 GGGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1 1062861 LMVLROZSFRDAHA-FQEVSTJZSA-N 388.427 3.416 50 40 GGGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3209889 ZYSWLRCKZYEPCZ-UFWORHAWSA-N 382.254 3.286 50 40 GGGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccn3)c2C)cc1 5128585 BNBVAPDRBNWBLS-ZVHZXABRSA-N 390.443 3.430 50 40 GGGB C/C(=N\NC(=O)C(=O)Nc1ccc(Br)cc1F)c1cccs1 5255241 PMNKNBDIINFFIU-QGMBQPNBSA-N 384.230 3.129 50 40 GGGB O=C(N[C@](Cl)(C(=O)O)[C@H](Cl)c1ccccc1)c1ccc([N+](=O)[O-])cc1 32634091 YTECIHNLSXXYNS-CJNGLKHVSA-N 383.187 3.324 50 40 GGGB Cc1ccc(-n2nnc(C(=O)NNC(=O)c3ccc(Cl)cc3)c2C(C)C)cc1 40140184 LTMBXCTUMHOXSQ-UHFFFAOYSA-N 397.866 3.427 50 40 GGGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)NC1CCCCC1 58882811 CGOMQGMIULVHAB-HAHDFKILSA-N 379.460 3.278 50 40 GGGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccccc2F)S(C)(=O)=O)CC1 408875447 FRVKUVJZJKJDGE-UHFFFAOYSA-N 397.516 3.300 50 40 GGGB COc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)c(OC)c1C 409016882 LBYOGOVQQCTPMG-FMCGGJTJSA-N 379.416 3.090 50 40 GGGB CN1C(=O)/C(=C(/C#N)C(=O)NC2CCCCC2)c2cc(Br)ccc21 409118003 MNNRUNQFXAJNDZ-PEZBUJJGSA-N 388.265 3.152 50 40 GGGB O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)Nc1cccc(C(F)(F)F)c1 409150514 CKYTZEVNRQJMCY-ODCIPOBUSA-N 385.729 3.153 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)c(O)c1 409392723 RMKBETXPTBIKDZ-UFFVCSGVSA-N 399.334 3.472 50 40 GGGB O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1cccnc1 105464393 DXRGGEYTVQUCJV-CLCOLTQESA-N 390.830 3.416 50 40 GGGB CCOC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2OC)c(OCC)c1 6960246 CRRWOQYXAAUVDF-FYJGNVAPSA-N 386.404 3.393 50 40 GGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)c(OC)c1 8566681 UVPJAPJKYNQZTG-OAHLLOKOSA-N 380.429 3.374 50 40 GGGB CCCN1CC=C2[C@@H](C1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 20026557 INJLUPRJKXNPGW-APWZRJJASA-N 377.879 3.475 50 40 GGGB Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2219953 XWLZRDCUAMXCOP-CRAIPNDOSA-N 397.862 3.207 50 40 GGGB CC(C)CNC(=S)NNC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 2793442 PMHZFXQNODDMNO-UHFFFAOYSA-N 387.505 3.112 50 40 GGGB COC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2c(C)cccn2c1=O 4205691 WFKHKLYWMMEEOV-LFIBNONCSA-N 389.411 3.492 50 40 GGGB CCOc1ccc(C(=O)NNC(=O)CNc2c(C)cc(C)cc2C)cc1OCC 7183357 PTWUKGJWFAIAHN-UHFFFAOYSA-N 399.491 3.282 50 40 GGGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2N)c1C 408592041 XFCGZQCJBZIJAG-ZMOGYAJESA-N 390.443 3.227 50 40 GGGB CC(C)N1CC=C2[C@H](C1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)C2(C#N)C#N 1073884 UTGGDQYCWZSUMF-HKUYNNGSSA-N 377.879 3.474 50 40 GGGB O=C(N/N=C/c1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2ccccc2)C1 2394772 VIFISFFTBNKRFB-YTRQYYDFSA-N 375.350 3.209 50 40 GGGB Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(N)=O)N(c3cccc(C)c3)C2=O)c1 11690292 GSFAWRGADWBWQP-KOXKPCSVSA-N 377.469 3.215 50 40 GGGB COc1ccccc1NC(=S)NNC(=O)CSCc1ccc(C)cc1 6573443 MKDKUYHTBCNPAJ-UHFFFAOYSA-N 375.519 3.255 50 40 GGGB Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2c(F)cccc2F)cc1 6684403 ZRXMUMWXMCWNNX-ZVBGSRNCSA-N 387.415 3.150 50 40 GGGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 408723030 PRVHPDJVFHGFKN-FYVUTIJQSA-N 396.241 3.339 50 40 GGGB CCc1ccc(OCC(=O)NNC(=O)COc2cccc3ccccc23)cc1 5877822 MHHCVWDCIOKULX-UHFFFAOYSA-N 378.428 3.007 50 40 GGGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2cccc(OC)c2)c2ccccc21 14134339 QMKIVQICZIVLGN-YDZHTSKRSA-N 393.443 3.285 50 40 GGGB COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1ccccc1C 226335190 SCQRWVXVJMQVMF-BQYQJAHWSA-N 391.265 3.348 50 40 GGGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(C(F)(F)F)cc3)ccc21 6831661 JBRMIEDIOLPVPT-UHFFFAOYSA-N 390.365 3.458 50 40 GGGB CCOc1c(Cl)cc(/C=C/C(=O)NNC(=O)Cc2ccccc2)cc1OC 13020395 JQCOISIQRUTLQX-MDZDMXLPSA-N 388.851 3.151 50 40 GGGB COC(=O)c1ccc(/C=C/C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 7779102 KIEFFUBERLKTPI-QPJJXVBHSA-N 396.487 3.240 50 40 GGGB COC(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC 408861796 AOEKMMQQUFQIMC-KEBDBYFISA-N 392.795 3.023 50 40 GGGB COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1cccc(F)c1 226335860 UNBWVWBWGODSST-AATRIKPKSA-N 395.228 3.179 50 40 GGGB COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 8489679 DSAPWEIKSCFWHM-CQSZACIVSA-N 394.427 3.086 50 40 GGGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OC 972467 ZURZUEVTMFHGFH-QGZVFWFLSA-N 376.368 3.028 50 40 GGGB biogenic COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)c1OC 8568235 WJCGRBISYZBOGK-CQSZACIVSA-N 380.429 3.374 50 40 GGGB CNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O 3644139 XERZZBOFCYJBNI-JLHYYAGUSA-N 394.818 3.102 50 40 GGGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2)cc1 408788035 ACSBYCZQFWTUJB-SFQUDFHCSA-N 393.443 3.144 50 40 GGGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CC(=O)N(CC2CC2)C1 32815732 PZCDPDDVOUHTBR-VIFPVBQESA-N 376.671 3.348 50 40 GGGB O=C(/C(=C1\NC[C@H](CBr)S1)[n+]1ccccc1)c1ccccc1 32096295 HGSCYMLAYOLWJA-AWEZNQCLSA-O 376.299 3.083 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2ccc(F)cc2)n1 1103879 VGQPNDFLUIGJNM-SRZZPIQSSA-N 383.452 3.266 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1Br 904144 CTOSDAOWMPSBNB-YBFXNURJSA-N 376.254 3.288 50 40 GGGB COc1cc(C(=O)NNc2nc3c(F)cc(F)cc3s2)cc(OC)c1OC 4121489 DFHAMBGKEMQMSR-UHFFFAOYSA-N 395.387 3.357 50 40 GGGB O=C(Cc1ccccc1)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 33341714 VNPQRZXQZXJSNF-JLPGSUDCSA-N 387.439 3.397 50 40 GGGB Cc1noc2nc(-c3ccccc3)cc(C(=O)NNC(=O)Cc3ccccc3)c12 40024926 ZHWZIVDQTFQMRL-UHFFFAOYSA-N 386.411 3.202 50 40 GGGB N#C/C(=C\c1ccc(I)o1)C(=O)Nc1ccc(O)cc1 408790314 OURMXBNIFBGOCN-VQHVLOKHSA-N 380.141 3.135 50 40 GGGB O=C(O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Cl 409241565 YJUUKJCPEDAEGX-WNFQYIGGSA-N 399.205 3.289 50 40 GGGB CCOc1ccc(O)c(/C=N/NC(=O)Cc2ccc(Br)cc2)c1 9204955 JUKFJFLXZBWETI-YBFXNURJSA-N 377.238 3.246 50 40 GGGB CCCC[C@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccccc1Br 2300995 ZIZFFZTXGHFPIE-NEPJUHHUSA-N 399.285 3.127 50 40 GGGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(OC)cc2)c2ccccc21 409272323 PPJCHTKFEOLBNB-YDZHTSKRSA-N 393.443 3.285 50 40 GGGB COc1cc2c(cc1NC(=O)C(=O)N/N=C/c1cccnc1)oc1ccccc12 4689729 HGDYTMVSWNWMAO-FSJBWODESA-N 388.383 3.078 50 40 GGGB CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 7379701 HYEVFZGLQLXVEC-GFCCVEGCSA-N 378.519 3.374 50 40 GGGB O=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1ccc2c(c1)OCO2 8271696 GEGSLVKNYXNXRR-UHFFFAOYSA-N 388.379 3.318 50 40 GGGB C#CCOc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408946737 AWWRIZDAIHITDF-UYRXBGFRSA-N 399.450 3.454 50 40 GGGB COc1ccc(OCC(=O)N/N=C\c2cc(F)c(N3CCCC3)cc2C)cc1 34835216 GRKIVKCCAQFEHM-QRVIBDJDSA-N 385.439 3.272 50 40 GGGB COC(=O)c1ccccc1N/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1 5488437 KQHFDAWJKHBHAF-KAMYIIQDSA-N 376.821 3.377 50 40 GGGB O=C(N/N=C/c1cccnc1)c1cc(I)ccc1Cl 725986 CVDSBAHXYLEPRU-CAOOACKPSA-N 385.592 3.104 50 40 GGGB CCOC(=O)CCSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N1 988544 QQZYTRNBCHYRMO-GOSISDBHSA-N 386.473 3.242 50 40 GGGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1O[C@@H](C)C(=O)O 409237721 BMGVYSSTIRHIKP-HNDQUVLASA-N 380.400 3.401 50 40 GGGB COc1ccccc1CCC(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 6009547 AUHHZTXFNJANKD-UHFFFAOYSA-N 377.400 3.013 50 40 GGGB CC(C)NC(=S)NNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 25529923 GWGCLBSMRWVSEN-OLZOCXBDSA-N 376.551 3.474 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 4682501 XGINJHWUSJNDDR-KZULUSFZSA-N 377.356 3.396 50 40 GGGB COc1cccc(C(=O)N/N=C\c2cc(Br)c(OC)cc2OC)c1 83294476 PZTRVTJBIGTNFR-GRSHGNNSSA-N 393.237 3.239 50 40 GGGB O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1COc2ccccc2O1 4498805 WRKGUVAXLIASQU-WVGJEZMVSA-N 393.355 3.145 50 40 GGGB O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1c(O)ccc2ccccc12)c1ccccc1O 1633539 DRQSPJXYANHMHN-MSOLQXFVSA-N 382.803 3.087 50 40 GGGB O=C(NNC(=O)c1cc(Cl)nc(Cl)c1)c1cc(Cl)nc(Cl)c1 2144459 AXKZOHCRHNABGS-UHFFFAOYSA-N 380.018 3.165 50 40 GGGB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1ccc(N(CCCl)CCCl)cc1 104373995 LCDINNMCHJQQJZ-ZZXKWVIFSA-N 399.234 3.250 50 40 GGGB COc1ccc(CC(=O)N/N=C(/C)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 5381069 GHNGSDASALMCLL-MSXFZWOLSA-N 393.365 3.279 50 40 GGGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])[C@@H]1COc2cc3ccccc3cc2O1 4724271 NGBLSQZOZWVJEI-POJBONIESA-N 377.356 3.038 50 40 GGGB N#Cc1ccc(C(=O)N/N=C/c2cccn2-c2cccc([N+](=O)[O-])c2)c(F)c1 408968576 XNBNEMSTRUHXSP-WSDLNYQXSA-N 377.335 3.160 50 40 GGGB COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3Cl)CC2)c1 409006857 REZINEQVQHONSJ-OEAKJJBVSA-N 399.878 3.351 50 40 GGGB O=C(CCCC[C@@H]1CCSS1)N1CCn2c(nnc2C(F)(F)F)C1 95478507 QJYACPKJMZCAFQ-SNVBAGLBSA-N 380.461 3.353 50 40 GGGB O=C(/C=C/c1cccc(C(F)(F)F)c1)NNC(=O)c1cccc([N+](=O)[O-])c1 8198982 SNCKYHIKJCEJQX-BQYQJAHWSA-N 379.294 3.088 50 40 GGGB O=C(N/N=c1\cc(-c2ccccc2)n(-c2ccccc2)cn1)c1cccc(O)c1 5589908 HIINTHVCKPVFIK-YYDJUVGSSA-N 382.423 3.491 50 40 GGGB CCCCOc1ccc(C(=O)NNC(=O)c2c(C)noc2C(C)C)cc1OC 21556495 VISQTEOEYWJXCV-UHFFFAOYSA-N 389.452 3.369 50 40 GGGB Cc1ccc(NC(=O)NC2=N/C(=C(\C#N)C(=O)N3CCCC3)c3ccccc32)cc1 103888224 AIIIOOSCEKLGFK-FMQUCBEESA-N 399.454 3.434 50 40 GGGB Cc1n[nH]c2c1[C@H](c1ccc(OC(=O)c3cccs3)cc1)C(C#N)=C(N)O2 709752 FPGFQUFACUNGNJ-MRXNPFEDSA-N 378.413 3.217 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 933847 XEHGFSBPJPIXGD-QGZVFWFLSA-N 395.802 3.432 50 40 GGGB COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)c1 2651610 LQPPHGOERCTFKJ-UHFFFAOYSA-N 383.231 3.014 50 40 GGGB C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)Cc1ccccc1 59498411 KFNJIVQZQLCTRM-VQHVLOKHSA-N 386.267 3.156 50 40 GGGB COc1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc(C)c2C)cc1OC 2147664 WEACESKJGCYBEE-LPYMAVHISA-N 383.448 3.190 50 40 GGGB COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccc(C)cc1 8026417 KWXWXGAMKGVDTQ-WSDLNYQXSA-N 392.415 3.018 50 40 GGGB Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2ccncc2)[nH]n1 5359574 KSMDUXHCTOTHTJ-YDZHTSKRSA-N 385.431 3.038 50 40 GGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OC 972468 ZURZUEVTMFHGFH-KRWDZBQOSA-N 376.368 3.028 50 40 GGGB biogenic CCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(SC)cc2)CC(=O)N1 6323087 KESHSQYFPJPXGZ-HNNXBMFYSA-N 389.546 3.397 50 40 GGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 59435280 WYJAVDPBYLCQLB-UDWIEESQSA-N 394.343 3.456 50 40 GGGB O=C(Cc1ccccc1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 3433291 UOEWBSAEVMINKC-UHFFFAOYSA-N 378.403 3.408 50 40 GGGB CCOc1ccc(C(=O)NNC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1 40143868 ADQXKBFOABUTOF-UHFFFAOYSA-N 375.787 3.434 50 40 GGGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cn1cnc2ccccc21 5570468 JBRGVGQRUMBDSJ-FOKLQQMPSA-N 392.850 3.334 50 40 GGGB COc1cc(/C=C/C(=O)NN)ccc1OCc1ccc(Br)cc1 226337280 PJFTUUVWMKRVKL-WEVVVXLNSA-N 377.238 3.040 50 40 GGGB COC(=O)c1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 6830884 LVGPYXKSUBYERF-AUEPDCJTSA-N 379.338 3.054 50 40 GGGB O=C(CCSc1ccc(F)cc1)NNC(=O)NCCc1ccc(F)cc1 24755083 MEXUIMHEKHJARN-UHFFFAOYSA-N 379.432 3.020 50 40 GGGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(Br)cc1 910303 XRWCNLJGNFMZSC-YBFXNURJSA-N 377.238 3.377 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3cccnc3)c2C)n1 6964268 PGSIUQUQKGCQKV-LSHDLFTRSA-N 394.504 3.138 50 40 GGGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 4402160 SDGAQURLRKVQNI-HZHRSRAPSA-N 383.448 3.455 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1O 408788762 FZJTXSIXGAJWKE-IZZDOVSWSA-N 389.205 3.415 50 40 GGGB C=CC(=O)Nc1ccc(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 1538741325 NTYZAFNBLCNLIQ-LBPRGKRZSA-N 383.473 3.072 50 40 GGGB O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1 826007 UBRINQKQCCDMGX-IMRMQAIZSA-N 376.243 3.497 50 40 GGGB C[C@@H]1S/C(=N\NC(=O)CNc2cccc(Cl)c2)N(c2ccccc2)C1=O 4161705 DHDOHZXIBCFZFW-PLGGJAHISA-N 388.880 3.308 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 4179688 ZWNOWEHLXBLSEV-FYJGNVAPSA-N 382.420 3.033 50 40 GGGB C[C@@H](OCCCNC(=O)NNC(=O)c1cn(C)c2ccccc12)c1ccccc1 32795537 RQGFCFIFTAZUBA-MRXNPFEDSA-N 394.475 3.290 50 40 GGGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(I)o2)c1 903822 NCDWLNISQYCRIP-CAOOACKPSA-N 398.200 3.030 50 40 GGGB O=C(N/N=C\c1ccc(Br)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 409209386 FBADABSEMCVWJX-PXNMLYILSA-N 393.153 3.029 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc2c(c1)OCO2 408774529 MERQZYLOKIOMGZ-IUXPMGMMSA-N 394.427 3.434 50 40 GGGB CC(C)c1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 408923312 VTRBFWQWMMAOCF-YIRPMMGJSA-N 387.505 3.115 50 40 GGGB CCOc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(Br)cc1 657635 WJJPBIQTQWRRDH-KEBDBYFISA-N 392.253 3.429 50 40 GGGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccccn1 1051540 BXQUJFQTRLIVMV-REZTVBANSA-N 399.042 3.076 50 40 GGGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)cc2)c(OC)c1 951084 ANXYLBODUCNRLM-RMXCOSCZSA-N 393.395 3.403 50 40 GGGB C/C(CC(=O)Nc1ccc(Br)cc1)=N/NC(=O)c1ccccc1O 16136638 XPLRTHBGXTZQRM-JAIQZWGSSA-N 390.237 3.289 50 40 GGGB Cc1cc2c(c(=O)n1C)[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 20086808 HKBAIPVOGBQQTJ-OAQYLSRUSA-N 399.450 3.491 50 40 GGGB CC/C(=N\NC(=O)Cc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 408843820 UFZFBSBNLNSRBW-CJLVFECKSA-N 386.448 3.194 50 40 GGGB COc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc(Br)c1O 1092370 IUDQSAZQQQETMC-MWJIIQFGSA-N 393.237 3.001 50 40 GGGB CCc1ccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccccc3)C2=O)cc1 2236071 PHDNDLLKAXLBFJ-QUWSGOTNSA-N 377.469 3.161 50 40 GGGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@H]1c1cc(Cl)ccc1Cl 5568031 IFVNCEFCBVJNLK-KWBADKCTSA-N 377.153 3.265 50 40 GGGB C=CCc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(OC)c1O 16195025 FQLLJWHKQFVFFN-ZMOGYAJESA-N 391.427 3.207 50 40 GGGB CCc1c(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)csc1C 17079679 ZRMPTEDZFYNXCJ-IXKJSCDLSA-N 390.505 3.073 50 40 GGGB O=C(NNc1cc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1 842930 SBBWUBVMAJCDCK-UHFFFAOYSA-N 380.496 3.214 50 40 GGGB CCOc1cc(/C=N\NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)ccc1O 28616228 XMBSSIUZALZIQE-BIFQTZPZSA-N 398.459 3.379 50 40 GGGB CCOc1cc(C(=O)N/N=C/c2ccc(O)cc2O)cc(OCC)c1OCC 3241916 GGWOVZREFYTQDN-CIAFOILYSA-N 388.420 3.058 50 40 GGGB CC(C)N1CC=C2[C@@H](C1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)C2(C#N)C#N 33936205 UTGGDQYCWZSUMF-IEBWSBKVSA-N 377.879 3.474 50 40 GGGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C(F)(F)F)cc3)[C@@H]2C1 1800499 QWUAEBAKFDUVOW-MSOLQXFVSA-N 397.404 3.451 50 40 GGGB C[C@@H]1Oc2ccccc2C=C1/C=N/NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 2220599 IHYILPHHAORYDJ-BWAMHROBSA-N 385.464 3.352 50 40 GGGB CCOc1cc(Br)cc(/C=N\NC(=O)c2ccc(F)cc2)c1O 4814002 FLFVLAMKTJLFFY-OCKHKDLRSA-N 381.201 3.456 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c(OC)c1 6127283 VIOQQOGNHFTSRI-LPYMAVHISA-N 393.399 3.313 50 40 GGGB C[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 23055132 KQHISDZVKSENHC-SWLSCSKDSA-N 380.473 3.272 50 40 GGGB COc1cc2c(cc1/C=N/NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)OCO2 33803451 PIXHPFXULUQVCJ-UFWORHAWSA-N 399.384 3.311 50 40 GGGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2ccccc2)o1 408531948 PFVIKLLOFRSBOS-CIAFOILYSA-N 395.371 3.393 50 40 GGGB O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccccc1-n1cccc1 409131034 XSLVMGHZBIHWGX-LFVJCYFKSA-N 392.434 3.217 50 40 GGGB O=C(NNC(=S)NC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 6536851 ZDNARNJNFFXMQV-UHFFFAOYSA-N 383.860 3.443 50 40 GGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 36020546 ZLGLWYKXIZMOIU-CNHKJKLMSA-N 384.175 3.136 50 40 GGGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c1C 2623416 BBGQHAOUHJXWGI-UHFFFAOYSA-N 385.464 3.106 50 40 GGGB Cc1ccc(C)c(OCc2ccc(C(=O)NNC(=S)NCC(C)C)o2)c1 2794729 ZZOPUSRSTDHIRP-UHFFFAOYSA-N 375.494 3.240 50 40 GGGB CC/C(NNC(=O)c1ccccc1)=C1\C(=O)N(c2ccccc2C)C(=O)N=C1O 17014510 QEWWQXLSVLZBHP-BMRADRMJSA-N 392.415 3.017 50 40 GGGB COc1cccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)c1 17207373 KAFVLFWGCLBGDH-MRXNPFEDSA-N 389.371 3.212 50 40 GGGB Cc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)cc1 19954566 YYXXVWWQPFKVRH-HYARGMPZSA-N 395.484 3.065 50 40 GGGB C=CCn1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c2ccccc21 6295908 IFLBHVHYTGBQIZ-FOKLQQMPSA-N 376.416 3.118 50 40 GGGB CC(C)[C@@H](Br)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 20133517 PEQBOAOLJBFTPZ-CQSZACIVSA-N 398.326 3.491 50 40 GGGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)NC2CCCCCCC2)cc1 100364818 WHWXVMXFPQXNTR-XQNSMLJCSA-N 389.496 3.185 50 40 GGGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 7782238 OCHHBIGMCDVQRM-GIJQJNRQSA-N 380.629 3.191 50 40 GGGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccco4)c(=O)c23)cc1 1784638 IUQGLNOZYPEIQK-LSFURLLWSA-N 392.440 3.177 50 40 GGGB CCCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2Cl)n1 27991396 GNHRQSKEWSRBEO-UHFFFAOYSA-N 385.276 3.360 50 40 GGGB Cc1ccccc1NCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 4117047 GVJCIUZPHMYLMB-LPYMAVHISA-N 381.436 3.066 50 40 GGGB Cc1sc2nc(CC(=O)N/N=C/c3c(F)cccc3Cl)[nH]c(=O)c2c1C 8045548 HACKOGKNGNCQCR-IFRROFPPSA-N 392.843 3.087 50 40 GGGB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NNC(=O)c3ccccc3)c12 48344433 HKDTVNKPPUJOMD-UHFFFAOYSA-N 391.475 3.447 50 40 GGGB CC(=C/c1ccccc1)/C=N/NC(=O)CN1CCN(Cc2ccccc2)CC1 19372336 GENVOGWSQGWTED-WUPOHKCWSA-N 376.504 3.010 50 40 GGGB CCOc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1O 5336102 JBJDNHTWWFZZFX-VXLYETTFSA-N 389.433 3.083 50 40 GGGB C[C@@H](Cc1ccccc1)NNC(=O)C(O)(Cc1ccccc1)Cc1ccccc1 877991 RWLUQJBRWKOKHC-FQEVSTJZSA-N 388.511 3.455 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1OC 3088265 ZNOYNEZANHKCJC-CIAFOILYSA-N 387.823 3.002 50 40 GGGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2 12581318 LWVRSQOODCYEMW-SNVBAGLBSA-N 378.837 3.011 50 40 GGGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c1 408739791 ALOKXIILLUCJKJ-NTUHNPAUSA-N 383.360 3.253 50 40 GGGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCC3)c2C)c1 408970686 BYWSYXRINJCDFA-YDZHTSKRSA-N 380.492 3.220 50 40 GGGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1092107 VBGPFQOFLQRRLM-RGVLZGJSSA-N 383.795 3.257 50 40 GGGB C/C(=N\NC(=O)COc1c(C)cc([N+](=O)[O-])cc1C)c1ccc([N+](=O)[O-])cc1 5005181 IDBWSVNVSOSFTE-CPNJWEJPSA-N 386.364 3.039 50 40 GGGB COc1ccc(C(=O)NN[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 32853661 YDTHFJFGIOFTQP-FQEVSTJZSA-N 375.428 3.310 50 40 GGGB COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc(Br)c1O 100522434 CSTFGGJEJBVLQF-QPADAYPTSA-N 381.270 3.440 50 40 GGGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 59433946 BPBAJJULOVGVOB-AWQFTUOYSA-N 380.231 3.399 50 40 GGGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2C)c1 408969745 SWXVHCBECBKVGF-MFKUBSTISA-N 388.471 3.169 50 40 GGGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 408997921 OZAJXUJWDGRCBD-LPYMAVHISA-N 399.516 3.223 50 40 GGGB O=C(N/N=C/c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409004378 CEQDAMSZZNJCES-YDZHTSKRSA-N 387.842 3.482 50 40 GGGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(N)=S 408541969 GKNNMCWAKCHJRS-FARCUNLSSA-N 376.073 3.413 50 40 GGGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1O 38431004 FIJOMBWRGJONRS-FYJGNVAPSA-N 398.419 3.063 50 40 GGGB Cc1nn(CC(=O)NN(Cc2ccccc2)c2ccccc2)c(C)c1[N+](=O)[O-] 32255395 ADIDBZWFYQKVHR-UHFFFAOYSA-N 379.420 3.146 50 40 GGGB COc1ccc(/C=C(/C#N)C(N)=O)cc1OCc1ccc(Br)cc1 33410039 VRJOJKWFQKHHDV-ZSOIEALJSA-N 387.233 3.429 50 40 GGGB COc1ccc2cc(/C=N/NC(=O)c3c(Cl)cnn3C)c(Cl)nc2c1 673184 HSZYDKCOZPSJBQ-FBCYGCLPSA-N 378.219 3.048 50 40 GGGB COc1cc([C@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)ccc1O 814497 VCPVNZFKMITRJV-FQEVSTJZSA-N 388.427 3.101 50 40 GGGB C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1Br 4177337 CYEISOIJVNSMNH-GOSISDBHSA-N 397.228 3.385 50 40 GGGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OC 2051448 OAWDAHOPAAZWOI-GOSISDBHSA-N 382.416 3.354 50 40 GGGB COc1cccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N32)c1 12275363 RWJBCAFYGJFPLY-UWJYYQICSA-N 396.443 3.477 50 40 GGGB Cc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1 59514222 AUUFZMOTLNKEKI-VXLYETTFSA-N 393.228 3.162 50 40 GGGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccco1 5119723 WVVAAZJHQRODQY-LDADJPATSA-N 389.458 3.296 50 40 GGGB Cc1ccc(CC(=O)N/N=C\c2cccc(I)c2)cc1 409361014 GIQBXUATAUQIAP-WQRHYEAKSA-N 378.213 3.292 50 40 GGGB CN(C)c1cccc(C(=O)N/N=C/c2cccn2-c2cccc(C(=O)O)c2)c1 409106928 PFAFBCAXWOAKAN-HYARGMPZSA-N 376.416 3.005 50 40 GGGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)c1 409008629 YYZINIYDBMJEET-SSDVNMTOSA-N 392.367 3.415 50 40 GGGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1 33664434 FYFFOKAQUSLFEY-WSDLNYQXSA-N 391.383 3.367 50 40 GGGB FC(F)(F)C1(C(F)(F)F)N[C@@H]2[C@H](Br)C[C@H]1[C@H]2Br 3622272 JWJVSPNLWDYONI-NRXMZTRTSA-N 390.947 3.369 50 40 GGGB COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 13774300 SDTZRRWHIGQYOM-LGMDPLHJSA-N 388.427 3.039 50 40 GGGB O=C(OC(CCl)CCl)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4592809 DBLKCCYWADWLPI-VZAMPYOESA-N 396.270 3.225 50 40 GGGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1ccccc1F 3408739 DVEKULLBTKAXNM-KEBDBYFISA-N 378.425 3.094 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(N)=O 409216661 NLRPYHVQVZGQPN-YVLHZVERSA-N 393.443 3.112 50 40 GGGB O=C(CCCc1ccc(Br)s1)NNC(=O)c1ccccc1O 17576031 WWWDMSHAEBMKMD-UHFFFAOYSA-N 383.267 3.000 50 40 GGGB CCOc1ccccc1/C=N/NC(=O)CNc1ccc(Br)cc1 409347946 NUPGCKFYNFBXLR-RGVLZGJSSA-N 376.254 3.410 50 40 GGGB CCOc1ccc(N([C@@H](C)C(=O)NN=C2CCCCCC2)S(C)(=O)=O)cc1 408921511 IKFGZVQZTAENPY-HNNXBMFYSA-N 395.525 3.066 50 40 GGGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)ccc1O 1431179 FPZHGKLCWOPDOH-DJKKODMXSA-N 377.238 3.301 50 40 GGGB COc1cc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)ccc1OC(C)C 1888371 QDFWVDJGXCAEEZ-WSDLNYQXSA-N 394.431 3.342 50 40 GGGB COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)c1O 2381374 YEMYSAYZSLJRMI-CIAFOILYSA-N 379.372 3.010 50 40 GGGB C[C@H](Sc1nnnn1C1CCCC1)C(=O)C(C#N)=C1Nc2ccccc2N1 13006613 HBLCDWWCMHEGRC-NSHDSACASA-N 381.465 3.111 50 40 GGGB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21 409204097 BARXCTIGBIBEBB-WLSWZUKCSA-N 390.487 3.228 50 40 GGGB CCCN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)C)cc2)c2ccccc21 5739147 ONLYOZOKCRBCSJ-FLFQWRMESA-N 379.460 3.466 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(OC)c1 408888783 APPIWDSGWYUQKN-MDWZMJQESA-N 383.360 3.166 50 40 GGGB CCc1ccc(OCC(=O)NNC(=O)Nc2cc(Cl)ccc2OC)cc1 2532773 MHQPMPIWHJFTIR-UHFFFAOYSA-N 377.828 3.143 50 40 GGGB N#C/C(=C/c1cn(CC(=O)O)c2ccccc12)C(=O)NCCCc1ccccc1 4711854 CFVIFASBDXSPFI-AQTBWJFISA-N 387.439 3.382 50 40 GGGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 409046155 JCQBUJOTURBGPQ-HZHRSRAPSA-N 387.395 3.453 50 40 GGGB COC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408569719 PRAMLHACUMLYAT-QPEQYQDCSA-N 381.363 3.327 50 40 GGGB O=C(/C=C\c1ccco1)Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 34387416 MJGMWTOZKGUXPV-CBUWQEAKSA-N 390.395 3.082 50 40 GGGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(N(C)C)cc1 5130989 ZICORZCCCUVLNR-YBFXNURJSA-N 376.254 3.288 50 40 GGGB O=C(NNC(=O)c1ccccc1OC(F)F)c1cccc(Br)c1 944706 RGYYTRCXNXOISE-UHFFFAOYSA-N 385.164 3.125 50 40 GGGB CCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21 5246099 NEANGOIIBYUFAA-ZCXUNETKSA-N 392.846 3.291 50 40 GGGB CC(C)(Oc1ccc(F)cc1)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 7295500 GKGMMTJPSGDZHW-UHFFFAOYSA-N 395.390 3.368 50 40 GGGB CCCOc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 20198134 LYTRZZCUDDKKTR-HZHRSRAPSA-N 385.439 3.215 50 40 GGGB COc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC 32795424 OVPHDNVVXIRJLX-NSHDSACASA-N 377.828 3.062 50 40 GGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 59435314 YALZUBIYDFLCGP-UDWIEESQSA-N 394.343 3.456 50 40 GGGB NNC(=O)c1cn(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc12 216749125 GYJRIGPGTHOYOD-UHFFFAOYSA-N 378.215 3.271 50 40 GGGB Cc1c(C(=O)NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)sc(N)c1C#N 252394260 COXAYYYYHKFAMH-UHFFFAOYSA-N 395.400 3.443 50 40 GGGB aggregator COc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCC(=O)OC(C)C 408600948 HPHYWNUVORXNMF-UUYOSTAYSA-N 384.432 3.098 50 40 GGGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(N3CCCCC3)cc2)c1 408960860 OWWVLOJIEMVYEK-KQWNVCNZSA-N 380.492 3.272 50 40 GGGB Cc1ccc(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1C 409183078 PPMSGDNUUACAQI-AWQFTUOYSA-N 389.249 3.487 50 40 GGGB O=C(NNc1c(F)c(F)nc(F)c1F)N[C@@H]1CCOc2c(F)ccc(F)c21 1615540841 WXVGQEUUBAZLQU-SSDOTTSWSA-N 392.259 3.066 50 40 GGGB O=C(CCn1cnc2ccccc21)N/N=C/c1cc(Br)ccc1O 1104308 HUAGRKOTPRLKDY-KEBDBYFISA-N 387.237 3.045 50 40 GGGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)COc1ccccc1 100059286 URCHUJWPJGTSHO-BUVRLJJBSA-N 383.492 3.033 50 40 GGGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2cccc3ccccc23)cc1 12292709 TUEVJDLHOKMGFQ-MRXNPFEDSA-N 378.428 3.142 50 40 GGGB Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)c(C)c1C 12757812 LLKZDOGPIRSYCT-UHFFFAOYSA-N 397.500 3.400 50 40 GGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 20060313 TZRVDYBAJMOQJV-FYJGNVAPSA-N 387.505 3.035 50 40 GGGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1O 409252500 SFSXHUABOZEFFN-JMIUGGIZSA-N 395.228 3.385 50 40 GGGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2c[nH]c3ccccc23)s1 408731504 NEFOXXOAVWDRMM-CIAFOILYSA-N 398.492 3.231 50 40 GGGB COc1cc(Br)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1O 408746939 IEXDMVKMSZPTTF-AUWJEWJLSA-N 387.233 3.387 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1oc(Br)cc1C 40140379 NZUZVXHUTIIIQW-UHFFFAOYSA-N 387.617 3.087 50 40 GGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2n(C(C)=O)c2ccccc32)cc1 2267381 YAZJQNLZMVLVFY-GOSISDBHSA-N 387.395 3.306 50 40 GGGB COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)c1 12276164 PGIQRGOGJHNBDR-DYESRHJHSA-N 396.443 3.477 50 40 GGGB O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 13006215 OCGMCCSNSQGITC-QGZVFWFLSA-N 375.428 3.498 50 40 GGGB O=C(CBr)Nc1cnn(CC(F)(F)C(F)(F)C(F)(F)F)c1 95094017 INYNTADCHLTLNW-UHFFFAOYSA-N 386.065 3.049 50 40 GGGB COc1ccc(N(/N=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)C(C)=O)cc1 708799 BIOOEWDDTFTKAR-DQRAZIAOSA-N 392.367 3.052 50 40 GGGB biogenic CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)cc1 1319799 ZOLPHCOEKOVSHI-OFJBCHTGSA-N 386.448 3.452 50 40 GGGB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](Cl)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 4897145 GXEPQZPCYMHNEU-XQSMQSLSSA-N 380.912 3.315 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccccc1C#N 4180293 QSVFEWROCWQKPH-AFUMVMLFSA-N 386.411 3.305 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1 7003301 VRPGINDOZPANRS-WSDLNYQXSA-N 394.383 3.426 50 40 GGGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1C 7404825 BXVYZRWDRYMBKS-UHFFFAOYSA-N 378.519 3.257 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccccc1 16663086 NPYITBWNSAWPDQ-ODXGNSPJSA-N 391.496 3.476 50 40 GGGB Cc1ccccc1NCC(=O)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 18324814 CLLFDHGNKYZBRU-SLEBQGDGSA-N 398.466 3.474 50 40 GGGB CCCCCC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 12137560 ZERQWKVIITXHJR-AWEZNQCLSA-N 387.505 3.209 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1OCC 8108534 WRRJXNQZLGOSHF-BOURKTIISA-N 384.432 3.164 50 40 GGGB COc1ccc2nc(NNC(=O)c3cc(OC)c(OC)c(OC)c3)sc2c1 4121391 YPZAWKBGXANEKV-UHFFFAOYSA-N 389.433 3.088 50 40 GGGB CC(C)Cn1c(O)c(C(=O)N/N=C/c2cccc(F)c2)c(=O)c2ccccc21 5462193 NOZXYMBUOZUNIV-FOKLQQMPSA-N 381.407 3.266 50 40 GGGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2OCC)[C@H](C#N)C(O)=N1 875435 LZOWUCRAMRNJNQ-GUYCJALGSA-N 385.445 3.310 50 40 GGGB COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)c1 12276168 PGIQRGOGJHNBDR-UTKZUKDTSA-N 396.443 3.477 50 40 GGGB COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)cc(Br)c1O 4322679 CSTFGGJEJBVLQF-HZRQIZSKSA-N 381.270 3.440 50 40 GGGB CCCc1cc2c(=O)n(CC(=O)N/N=C(\CC)c3cccs3)cnc2s1 6462338 CBNHJBRLWQLWPG-XSFVSMFZSA-N 388.518 3.403 50 40 GGGB Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)[C@H]3c1ccc2c(c1)OCO2 5561073 VRKPQMLVOCGJRP-FQEVSTJZSA-N 388.379 3.357 50 40 GGGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1 7404823 IDNDVQVELVCPQR-UHFFFAOYSA-N 378.519 3.257 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Cl)ccc1O)c1ccccc1 408978085 GYZFCTKFXTXMRI-SVZNOHIVSA-N 389.839 3.373 50 40 GGGB COc1ccccc1CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21 46085020 OSKGQTJCERONDT-FLFQWRMESA-N 385.423 3.376 50 40 GGGB O=C(N/N=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccncc1 136142474 DBKJANXIWNLSMJ-LYBHJNIJSA-N 390.830 3.416 50 40 GGGB CCOC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O 820718 SQRNTGNZLAMPIM-FPYGCLRLSA-N 375.016 3.387 50 40 GGGB COc1cccc2c1C(=O)c1c(OC)c(CBr)cc(OC)c1C2=O 5410425 DBDUDDOMVFQDLF-UHFFFAOYSA-N 391.217 3.383 50 40 GGGB CC/C(C)=N/NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 19926255 GTIOESXKGQGHCD-XSFVSMFZSA-N 393.896 3.437 50 40 GGGB COCCNC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12 4994051 YEQBMNNHFJGSEP-XDHOZWIPSA-N 384.439 3.231 50 40 GGGB CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4cc(O)ccc43)c3cccc1c32 1460207 KAVKFLFQNFYHGR-QHCPKHFHSA-N 385.423 3.307 50 40 GGGB COc1ccccc1CC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 12754963 OIUOHLPVYREBHV-OAHLLOKOSA-N 378.428 3.006 50 40 GGGB COc1cc(/C=N/NC(=O)/C=C/c2ccccc2)cc(Br)c1O 408856623 HYCSMGDVYUNMNW-FIQDDSDUSA-N 375.222 3.327 50 40 GGGB COCCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc12 409197248 ZRPKHLBGYALZSV-VJSYINPZSA-N 380.444 3.067 50 40 GGGB N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@H]1c1ccc(F)cc1 409324896 WDNKBYMMVCSXNN-KRWDZBQOSA-N 395.459 3.214 50 40 GGGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@H]1c1cc(Cl)ccc1Cl 5568035 IFVNCEFCBVJNLK-CWSCBRNRSA-N 377.153 3.265 50 40 GGGB O=C(Cn1cnc2sccc2c1=O)NN(c1ccccc1)c1ccccc1 57345287 BRHHDINPQUAFAY-UHFFFAOYSA-N 376.441 3.328 50 40 GGGB C=CCOc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)cc1OC 12897334 AXOCIIMTTWKWFP-UHFFFAOYSA-N 384.432 3.122 50 40 GGGB COc1ccc(/C(C)=N/OCC(=O)C(C#N)=C2Nc3ccccc3N2)c(OC)c1 5494750 AMKFGJPSNLZBMN-DHRITJCHSA-N 392.415 3.286 50 40 GGGB COC(=O)N/N=C/c1ccc(OCCCOc2cccc(OC)c2)c(OC)c1 4576133 IKNSJYVPULIWFJ-KGENOOAVSA-N 388.420 3.242 50 40 GGGB C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N\NC(=O)COc1ccc(C)cc1 5545112 WRAVGHGJZDRKIV-PXLXIMEGSA-N 398.419 3.111 50 40 GGGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC[C@@H]3C)=C2C#N)cc1 6455731 JSMIFKBBRADWNR-WMLDXEAASA-N 399.516 3.168 50 40 GGGB O=C(COc1ccccc1Cl)N/N=C\c1cccn1-c1ccc(C(=O)O)cc1 59343326 UYGRMLFMZSQVBR-UUYOSTAYSA-N 397.818 3.358 50 40 GGGB CCOc1ccccc1OCC(=O)NNC(=O)Cc1ccc(Cl)c(Cl)c1 12809285 JVXBYJFNKFQCFW-UHFFFAOYSA-N 397.258 3.161 50 40 GGGB O=C(NNC(=S)NCCCc1ccccc1)c1cccc(C(F)(F)F)c1 408587963 VGNCMXYVMPEBNR-UHFFFAOYSA-N 381.423 3.447 50 40 GGGB O=C(N/N=C/c1cccc(O)c1)c1ccn(Cc2ccc(Br)cc2)n1 1086799 UHCMOGXLQSWNGC-RGVLZGJSSA-N 399.248 3.163 50 40 GGGB O=C1NC2(CCCCC2)C(=O)N1CCCCCN(CCCl)CCCl 5566776 XIYNDTNHHCIYFK-UHFFFAOYSA-N 378.344 3.191 50 40 GGGB O=C(c1ccccc1)N1CCC2(CC1)CO[C@H](CI)C2 2056226508 SNVQMMBRVPOEBM-AWEZNQCLSA-N 385.245 3.133 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2ccc(I)cc2)cc1 1434589 LDMQLCVIVUVBLT-VCHYOVAHSA-N 394.212 3.129 50 40 GGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)cc1 8748655 DSLIQJVEVWKCHK-MRXNPFEDSA-N 390.420 3.266 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1OCC 6844845 TYYZJWHIXACAOB-HYARGMPZSA-N 381.432 3.372 50 40 GGGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccccc1Br 2306245 IDIUBMVZBQBXNI-CYBMUJFWSA-N 397.656 3.313 50 40 GGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1 5646500 QZTJQZFBMCACPT-QGZVFWFLSA-N 386.411 3.390 50 40 GGGB Cc1ccc(NC(=O)[C@H](NNC(=O)CC(C)C)c2ccccc2)c([N+](=O)[O-])c1 15490802 XUILVEVLQDFLNL-LJQANCHMSA-N 384.436 3.250 50 40 GGGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1cccc(Cl)c1 409071756 SDNLHJIAIFKQHU-XKZIYDEJSA-N 387.867 3.014 50 40 GGGB COc1ccc(OCC(=O)N/N=C(\C)c2ccc(Br)s2)cc1 5164366 SMLJYYOAZGEFCZ-LICLKQGHSA-N 383.267 3.438 50 40 GGGB CCOc1ccc(C(=O)NNC(=O)c2ccc(N(CC)C(C)C)cc2)cc1OC 58047934 NDNVDHAUVCEDAG-UHFFFAOYSA-N 399.491 3.403 50 40 GGGB I[C@@H]1[C@H]2[C@H]3C[C@@H]1[C@H]1C[C@@H]3[C@@H](I)[C@@H]21 105027370 KYMLEMSCKGSBAT-ZUIZSQJWSA-N 386.014 3.125 50 40 GGGB COc1cc(OC)c(/C=C(\C#N)C(=O)NC2CCCC2)cc1Br 23382652 VCPDXCAODJTYND-KPKJPENVSA-N 379.254 3.432 50 40 GGGB Cc1ccc(C(=O)N/N=C\c2cc(Br)c(Br)o2)cn1 4679851 WNSMTSGKDDWGPW-SOFYXZRVSA-N 387.031 3.272 50 40 GGGB CCN1C(=O)[C@@]2(C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)c2ccccc21 49947101 LAHOHDPCDVZXAM-JOCHJYFZSA-N 397.463 3.346 50 40 GGGB Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H]3CCC[C@H](Cl)C3)CC2)c(C)c1 14186434 JBYIERLHIOIOEV-ZWKOTPCHSA-N 384.973 3.468 50 40 GGGB CC(=O)Oc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1 660212 MQOGVJWARSCUCK-FQEVSTJZSA-N 386.411 3.324 50 40 GGGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1I 1029483 IQYTZUPFJGOQPL-HNNXBMFYSA-N 390.180 3.215 50 40 GGGB COc1ccc2cc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)c(Cl)nc2c1 6794005 GDDHXAVUDKPGDO-WVCJYUAVSA-N 397.818 3.187 50 40 GGGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c1 107977586 IFSLPEVMSHTGNY-WSDLNYQXSA-N 394.383 3.426 50 40 GGGB Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccccc1F)C(C#N)=C(N)O2 2227149 LOAUWWBFPUEIBZ-SFHVURJKSA-N 377.375 3.155 50 40 GGGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 100620907 XYCZIUBCVLDZIH-HDICACEKSA-N 392.367 3.270 50 40 GGGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 408877643 WSKDRRKBTKFYDV-UHFFFAOYSA-N 397.516 3.300 50 40 GGGB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)NNC(=O)c1ccccc1 409044001 GHLYTBGSURQVBQ-FOCLMDBBSA-N 386.407 3.380 50 40 GGGB Cc1c(C(=O)Nc2ccccc2)cc(C#N)c2[n+]1[C@H](CBr)CS2 13015016 MIQQLDFXPIJWFQ-CQSZACIVSA-O 389.298 3.448 50 40 GGGB Cc1cc(C)n2nc(C(=O)N/N=C/c3cccc(Oc4ccccc4)c3)nc2n1 678528 JKBROXRSJHRZHD-LPYMAVHISA-N 386.415 3.297 50 40 GGGB CC(C)COc1ccc(S(=O)(=O)NNC(=O)c2cc3ccccc3o2)cc1 903770 GHHXPRXDJMBCCR-UHFFFAOYSA-N 388.445 3.091 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1O 2775691 IAFANNRWSWVYSJ-VGOFMYFVSA-N 387.233 3.387 50 40 GGGB Cc1ccc(C(=O)NNC(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 12543644 VOUUKJYRBVMHDR-UHFFFAOYSA-N 380.492 3.472 50 40 GGGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1 409237675 BCGNDYMZFASKLH-LWLPBDFMSA-N 381.388 3.396 50 40 GGGB COc1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1Br 409145041 HNYYITFJHDBKKJ-INIZCTEOSA-N 388.265 3.188 50 40 GGGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)cc1 408743683 UGKUFHLUEZPXLH-YDZHTSKRSA-N 376.416 3.040 50 40 GGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccco2)cc1 6334175 QXCOZGLXNIEROD-UDWIEESQSA-N 378.344 3.204 50 40 GGGB COc1ccccc1OCC(=O)NNC(=O)Cc1ccc(-c2ccccc2)cc1 4615352 XSRNNGZFVGNJDZ-UHFFFAOYSA-N 390.439 3.131 50 40 GGGB COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1O 408718737 CSTFGGJEJBVLQF-QRQLFNGMSA-N 381.270 3.440 50 40 GGGB CC(=O)Nc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 5900178 XDNPJQBOBRMEDS-LPYMAVHISA-N 390.399 3.254 50 40 GGGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(OC)c1O 1433617 OJXKTAMLVHDIRB-DNTJNYDQSA-N 399.230 3.245 50 40 GGGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cccc(C)c2)cc1 4416825 JTKTUDXXPWWNFL-BUVRLJJBSA-N 380.448 3.017 50 40 GGGB Cc1ccc(C2=N[C@@](NC(=O)c3ccc(F)cc3)(C(Cl)Cl)C(=N)N2)cc1 101411695 PFGFQEUEKHBSJR-GOSISDBHSA-N 393.249 3.391 50 40 GGGB O=C(NN=C(c1ccccc1)c1ccccc1)c1ccc(N2CCNC2=O)cc1 54304252 JUXJFWJXPKUZFL-UHFFFAOYSA-N 384.439 3.399 50 40 GGGB CC(=O)N[C@H](C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 1496615 PZIJIKSHBVHPDC-QFIPXVFZSA-N 377.380 3.346 50 40 GGGB Cc1ccc(C(=O)NNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 2651540 GGIZYIGTNAKYED-UHFFFAOYSA-N 388.423 3.066 50 40 GGGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])[C@H]1COc2cc3ccccc3cc2O1 4724269 NGBLSQZOZWVJEI-WVGJEZMVSA-N 377.356 3.038 50 40 GGGB C[C@@H]1Oc2ccccc2C=C1/C=N/NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 5070251 IHYILPHHAORYDJ-VREVJUHTSA-N 385.464 3.352 50 40 GGGB CC(C)N1CC=C2[C@H](C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 33936200 QRXQVBGVCNDBEU-QFBILLFUSA-N 377.879 3.474 50 40 GGGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC[C@@H]3C)=C2C#N)cc1 6477672 GRIMWRRQHFHHPD-DOTOQJQBSA-N 383.517 3.468 50 40 GGGB C[C@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 2372813 LKVWYLGLMUIGTB-PWLTZZKVSA-N 381.432 3.346 50 40 GGGB O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)CSc1ccccc1 3355682 SICGMIXHFOQZDJ-UHFFFAOYSA-N 384.379 3.024 50 40 GGGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(Br)o1 4735272 PBPXRHAEHCVSHY-LZYBPNLTSA-N 386.043 3.497 50 40 GGGB COc1cc(/C=N/NC(=O)CC2(C)OCCCO2)ccc1OCc1ccccc1 4832041 DSANXWQNYIIWEY-HZHRSRAPSA-N 398.459 3.268 50 40 GGGB CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 7907383 WSHDQLQXTUSKDK-AWEZNQCLSA-N 385.489 3.315 50 40 GGGB CCCOc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2F)cc1OC 7963719 GWQNOMBGQPXKFU-UHFFFAOYSA-N 380.803 3.351 50 40 GGGB Cc1ccc(NCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1C 409004709 BKUINABIEGTVTC-QRVIBDJDSA-N 395.463 3.374 50 40 GGGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(=O)Nc1cc(Cl)ccc1Cl 408759037 WVNAYNSYIMFRQQ-GHXNOFRVSA-N 390.226 3.403 50 40 GGGB O=C(N/N=C/C(Br)=C/c1ccccc1)[C@@H]1COc2ccccc2O1 13388619 GHEFNNXELCDGNC-DKFWJSOLSA-N 387.233 3.364 50 40 GGGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNc1c(Cl)cc(Cl)cc1Cl 16693850 YXNQFFKCFAIMGS-POHAHGRESA-N 385.638 3.286 50 40 GGGB O=C1COc2cc(C(=O)NN(Cc3ccccc3)Cc3ccccc3)ccc2N1 22654490 JXNTWXWSHZWOES-UHFFFAOYSA-N 387.439 3.365 50 40 GGGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1cccc2ccccc12 1445178 OWKZHWRBHQOPEE-WSDLNYQXSA-N 378.388 3.319 50 40 GGGB COc1ccc(OCC(=O)NNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1 12565445 WFRSKKFHIPYROY-UHFFFAOYSA-N 399.472 3.070 50 40 GGGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(O)cc1 408795395 LRMILIDKMGQIDA-VZUCSPMQSA-N 387.189 3.429 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)O 4723617 DLBLPSNYIFRCQU-MHWRWJLKSA-N 380.400 3.403 50 40 GGGB O=C(CCCCl)NC(=S)Nc1ccc(I)cc1 4703951 GQQOTCUKHIXFFS-UHFFFAOYSA-N 382.654 3.123 50 40 GGGB N#Cc1ccc(C(=O)N/N=C\c2ccc(-c3cccc(C(=O)O)c3)o2)c(F)c1 408968868 ZUXATAXSLMWWMJ-KSEXSDGBSA-N 377.331 3.419 50 40 GGGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 408964251 QEQHNZMJPROOIA-LSHDLFTRSA-N 382.338 3.495 50 40 GGGB COc1ccccc1C(=O)N/N=C/c1cccc(I)c1 409368264 WAQZLJXDCNCPBS-LICLKQGHSA-N 380.185 3.064 50 40 GGGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(N3CCCC3)c(F)c2)c1 409099378 QVVWQARAQXNNDL-UCQKPKSFSA-N 384.455 3.021 50 40 GGGB CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O 2424189 OICJUJLEVSYQKC-ACCUITESSA-N 394.818 3.183 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(OC)c1OC 7385725 RNAOSISEAPRQOD-HYARGMPZSA-N 383.448 3.077 50 40 GGGB COc1ccc(C(=O)NNC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1OC 32795434 KAWIRZVZNXQHIT-LBPRGKRZSA-N 391.855 3.405 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1452703 SDTZRRWHIGQYOM-GHRIWEEISA-N 388.427 3.039 50 40 GGGB CCOc1cccc(/C=N/NC(=O)CNc2ccc(Br)cc2)c1 408691520 BUZSYQZCLAXCCE-RGVLZGJSSA-N 376.254 3.410 50 40 GGGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(N)=O)cc1 408582966 QAGCVEWFYVXLSF-RIYZIHGNSA-N 387.233 3.386 50 40 GGGB O=C(COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)Nc1cc(F)ccc1F 95455808 KHYNCKZLYLMQIL-UOWOHEGISA-N 388.208 3.400 50 40 GGGB COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1[N+](=O)[O-] 4387256 NWQODZBHAIXMLR-FYJGNVAPSA-N 384.392 3.046 50 40 GGGB COc1ccc([C@@H]2CC(=O)N3CN(Cc4cccnc4)CSC3=C2C#N)cc1 20347989 NYACCXDRGFSQFM-SFHVURJKSA-N 392.484 3.305 50 40 GGGB COc1cc(SSc2cc(OC)cc([N+](=O)[O-])c2N)c(N)c([N+](=O)[O-])c1 4707792 VEWXWUPLYTZBFR-UHFFFAOYSA-N 398.422 3.484 50 40 GGGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)c1cccs1 2266410 JCDLEBHOQSFLEP-WSDLNYQXSA-N 381.457 3.180 50 40 GGGB CC(C)Sc1ncc(Cl)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1 28287124 DBVJBPRRKNHIDR-UHFFFAOYSA-N 385.276 3.359 50 40 GGGB N#C/C(=C\c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)NC1CCCCC1 409154960 HWPKBQQAQUUEIR-NBVRZTHBSA-N 381.476 3.044 50 40 GGGB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)c1 17248983 HCGSFXZTQIKFTB-MRXNPFEDSA-N 389.371 3.212 50 40 GGGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3O)o2)c1 409392667 RFEWOGJYAFJASG-WSDLNYQXSA-N 394.383 3.211 50 40 GGGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)N1CCOCC1 408759376 DAOZLCLVCHOTLX-GHRIWEEISA-N 396.830 3.325 50 40 GGGB NC(=O)COc1ccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 33305288 UUMLEVRPTZNQHP-MSXFZWOLSA-N 387.395 3.214 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCC#N 408785649 AGJLDVIUQFYFIE-QPEQYQDCSA-N 392.253 3.182 50 40 GGGB CCCOc1ccc(C(=O)N/N=C/c2cc(OCC)c(O)c([N+](=O)[O-])c2)cc1 20197362 SMLIELFEAMLUHS-UDWIEESQSA-N 387.392 3.252 50 40 GGGB O=C(COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1)NCc1ccco1 4519921 CTGYBCKVMISOBB-YDZHTSKRSA-N 392.415 3.130 50 40 GGGB COc1cc(N/C=C2\C(=O)N(CCC(C)C)C(=O)C(C#N)=C2C)cc(OC)c1 9420214 LQDNUMLDBMAKRO-UNOMPAQXSA-N 383.448 3.255 50 40 GGGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCC(=O)O)cc2c1 409187434 QHMWGMWRCNXMFQ-NHDPSOOVSA-N 382.372 3.059 50 40 GGGB O=C(N/N=C(/CNC(=O)c1ccccc1Cl)c1ccccc1)c1ccncc1 18191640 ZGZFEGQFSHNFFN-PLRJNAJWSA-N 392.846 3.299 50 40 GGGB O=C(N/N=C/c1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1ccccc1 993630 VAOXGZKYIZBTGH-YDZHTSKRSA-N 388.379 3.398 50 40 GGGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 59419203 PSGYQUZEMFVQQW-VXLYETTFSA-N 377.784 3.045 50 40 GGGB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)C1CC1 112121439 ZSAQLABLXZMSRA-WJDWOHSUSA-N 383.477 3.104 50 40 GGGB C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(F)cc1 105456788 DHOXVOOZULVFPJ-VOTSOKGWSA-N 390.230 3.366 50 40 GGGB Cc1cccc(C(=O)N[C@H](C(=O)N/N=C/c2c[nH]c3ccccc23)C(C)C)c1 23382581 QESKLXLAFOUKNZ-AFEQLLIESA-N 376.460 3.381 50 40 GGGB COc1cccc(OC)c1/C=N\NC(=O)c1ccc2c(c1)OCC1(CC1)CO2 225369290 SYGZCRIOAFFKBC-JJFYIABZSA-N 382.416 3.019 50 40 GGGB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1C(=O)CCl 11692278 NGKFADZEKPUTMI-PXNSSMCTSA-N 382.847 3.422 50 40 GGGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(Br)c2ccccc12 16694087 XNPPUFOAVIOHKK-ZROIWOOFSA-N 382.217 3.395 50 40 GGGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c(OC)c1 1105774 VFWVVDXSKRKHLB-KRWDZBQOSA-N 376.368 3.028 50 40 GGGB biogenic COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(OC)c1 1083268 UOZPGDGMAWNPOG-LFVJCYFKSA-N 390.439 3.090 50 40 GGGB C/C(=N\NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccco1 6296089 LFQYJDUGWGDAIA-PXLXIMEGSA-N 386.415 3.135 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC 4746600 CCVXZRUZSLZSNM-LSHDLFTRSA-N 382.338 3.495 50 40 GGGB COc1cc(/C=C(/C#N)C(N)=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 408858039 IKINLYKYQAQYAY-NSIKDUERSA-N 386.791 3.018 50 40 GGGB Cc1ccc(CC(=O)N/N=C\c2ccccc2I)cc1 409366537 VSNYHNTVVSYGKP-WQRHYEAKSA-N 378.213 3.292 50 40 GGGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 409263056 LJNSUQMURFWBNI-CIPMJJFUSA-N 379.372 3.347 50 40 GGGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(=O)OC(C)C)cc1 8370678 ZXHNXOLHXHJJRH-WSDLNYQXSA-N 384.432 3.098 50 40 GGGB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1ccccc1O 32747804 UDJJUGDETMOJGS-UHFFFAOYSA-N 389.770 3.223 50 40 GGGB Cc1ccc(Nc2nc3nonc3nc2NNC(=O)c2ccccc2)cc1C 675367 UADZPISJTYOHIF-UHFFFAOYSA-N 375.392 3.130 50 40 GGGB COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc(OC)c1O 1009469 AMSJJMCFMBRNCS-WSDLNYQXSA-N 380.400 3.092 50 40 GGGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccccn1 59459345 VAVAIGCASGAIDL-SRZZPIQSSA-N 388.265 3.252 50 40 GGGB Cc1nccn1CCCC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 65551882 NTRGTCARYUDXNB-UHFFFAOYSA-N 386.452 3.301 50 40 GGGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)CNc2ccccc2)c2ccccc21 409376085 UDXOHEHSANTNDY-ZMOGYAJESA-N 392.459 3.075 50 40 GGGB Cc1occc1C(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 40140388 PQSNEKRXQGXSPF-UHFFFAOYSA-N 378.432 3.117 50 40 GGGB Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 2135514 QYZYDUDBHXDXIK-UHFFFAOYSA-N 382.272 3.251 50 40 GGGB O=C(/C=C/c1cccc2cccnc12)NNC(=O)c1cc(-c2ccccc2)on1 12972263 YNLHWIVUTDVBHA-VAWYXSNFSA-N 384.395 3.364 50 40 GGGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 408796920 ZOJXHULAUYSOSX-LICLKQGHSA-N 394.427 3.410 50 40 GGGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccc2ccccc2n1 13550226 GOWYMCFUZJPGSC-UHFFFAOYSA-N 395.216 3.084 50 40 GGGB COc1ccc(OC)c([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccc(C)cc2)c1 818289 QESANVMCSDFIMQ-GOSISDBHSA-N 381.457 3.312 50 40 GGGB CN1C(=C(C#N)C(=O)COC(=O)c2c[nH]c3ccccc23)N(C)c2ccccc21 22975818 MIMVNPRTXOAJEB-UHFFFAOYSA-N 386.411 3.215 50 40 GGGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 12292700 VNYHHKGUWNMKKU-QGZVFWFLSA-N 384.476 3.421 50 40 GGGB COC(=O)c1c(NC(=O)C(=O)NN=C2CCCCCC2)sc2c1CCCC2 5164614 LHDNUPLREPNPSZ-UHFFFAOYSA-N 391.493 3.178 50 40 GGGB CCOc1cc(/C=N/NC(=O)OC)ccc1OCCOc1ccccc1OC 4526004 AXCNGTLHFKTRPW-KGENOOAVSA-N 388.420 3.242 50 40 GGGB CCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1ccc(OC)c(OC)c1 409362222 IMIJNXVDJRVRMO-MTJSOVHGSA-N 376.840 3.449 50 40 GGGB N#C/C(=C/c1ccc(O)c(I)c1)C(=O)NC1CCCCC1 408965984 YIQZXLMACLSZPO-WQLSENKSSA-N 396.228 3.353 50 40 GGGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)C(C)(C)C 408908631 WWQLTJGGBOODPO-VCHYOVAHSA-N 394.324 3.298 50 40 GGGB CSc1ccc(NC(=O)NN(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 5648937 FHIBCIQUVYQGEG-INIZCTEOSA-N 391.518 3.139 50 40 GGGB COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1ccccc1)C(C#N)=C(N)O2 2235616 BKFFJUIGQVIUPZ-NRFANRHFSA-N 399.450 3.432 50 40 GGGB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1 5060377 UWZVPPNUMSDJTE-INIZCTEOSA-N 384.461 3.032 50 40 GGGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2cccnc2)/C(=C\c2cccnc2)C1 36125709 ZJCHLIOEUWOQSJ-AXGSUTNPSA-N 385.471 3.346 50 40 GGGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117443 WUELAUXDJRJEQX-GHXNOFRVSA-N 390.226 3.403 50 40 GGGB O=C(O)CCC/C=C/C[C@H]1[C@@H](CNNC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 100307236 RJNDVCNWVBWHLY-ZXCOLUKLSA-N 387.480 3.308 50 40 GGGB in-vitro O=C(CC(=O)c1ccccc1)C(=O)N(NC(=O)c1ccccc1)c1ccccc1 100921467 CPGXTWKIMPAAMS-UHFFFAOYSA-N 386.407 3.207 50 40 GGGB O=C(O)c1ccc(COc2ccccc2/C=N\NC(=O)c2cccc(O)c2)cc1 408961436 SVESJONTIDOJPL-QRVIBDJDSA-N 390.395 3.433 50 40 GGGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)N1CCOCC1 408997180 LOMSBTHMOMUDSW-UKTHLTGXSA-N 386.791 3.064 50 40 GGGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1O[C@@H](C)C(=O)O 409011494 NNUOSDPQSCRADH-WLQYJRLHSA-N 382.372 3.057 50 40 GGGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(OC)c1OC 1501173 PBNHRENFHCTMIL-VXLYETTFSA-N 393.237 3.239 50 40 GGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 108071867 CSMFWWJQQDAZNC-MTJSOVHGSA-N 393.355 3.246 50 40 GGGB CCn1c(NNC(=O)Cc2c(C)[nH]c3ccc(C)cc23)nc2ccccc2c1=O 24907522 LRTNWDUAHHCMOD-UHFFFAOYSA-N 389.459 3.200 50 40 GGGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2ccccc2F)o1 100962461 HHCOXNSLRGBHMJ-LFIBNONCSA-N 380.375 3.060 50 40 GGGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 12292662 AVNFSRVHRBVJEL-MRXNPFEDSA-N 378.428 3.142 50 40 GGGB N#C/C(=C/c1ccc(N2CCCCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 408858590 QNPCVJANAKOXMJ-PQHLVNFISA-N 386.459 3.478 50 40 GGGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C1\CCCCc2ccccc21 21841307 DFCOCFIKQCVNIU-WJTDDFOZSA-N 390.531 3.446 50 40 GGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCCCC2)c(F)c1 33392299 AOTANWJAKLBRLC-HMAPJEAMSA-N 384.411 3.417 50 40 GGGB O=C(NNS(=O)(=O)c1ccc(F)cc1Cl)c1cc2c(s1)CCCC2 40058088 WPXBYJYJTBTRRE-UHFFFAOYSA-N 388.873 3.043 50 40 GGGB Cc1c(C(=O)NN=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)sc(N)c1C#N 254813840 JPZMVNQEUPACCS-UHFFFAOYSA-N 394.412 3.233 50 40 GGGB O=C(N/N=C/c1ccc(O)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 3028464 KQSBTLCVSHIHFZ-QTLAEQSKSA-N 391.452 3.375 50 40 GGGB O=C(O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)cc1 16429492 YEZFZXAVBWTJCF-JMIUGGIZSA-N 395.327 3.023 50 40 GGGB Cc1nc(C)c(CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 40143071 RXMFQGWGBHRDNL-UHFFFAOYSA-N 375.643 3.033 50 40 GGGB O=C(Nc1ccc([N+](=O)[O-])cc1)N(CCBr)CCBr 4897472 PFYARTVEMZKSSQ-UHFFFAOYSA-N 395.051 3.219 50 40 GGGB Cc1cc(C(=O)N/N=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(F)cc1 6183205 WCJMSWILJSLCDJ-UHFFFAOYSA-N 376.391 3.319 50 40 GGGB C/C(=N\NC(=O)c1cccnc1)c1cc2cc(Br)ccc2oc1=O 4549155 LISGGLSHMRTWJA-KEBDBYFISA-N 386.205 3.105 50 40 GGGB Cc1cccc(OCCCC(=O)NNC(=O)c2ccc(Br)s2)c1 6651681 DWKPPZRDFXNTHD-UHFFFAOYSA-N 397.294 3.439 50 40 GGGB COc1cc(/C=N/NC(=O)CNc2cccc(C)c2)cc(Br)c1O 4746723 LHGMLXXOKREFEM-AWQFTUOYSA-N 392.253 3.034 50 40 GGGB CC1(CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)OCCO1 408884591 UPIVAQXNDYVWTH-ZMOGYAJESA-N 395.434 3.432 50 40 GGGB C[C@H](Oc1ccc(/C=N\NC(=O)COc2cccc3ccccc23)cc1)C(=O)O 408856712 JWOLIHRMEAHPKP-VRHSPDTKSA-N 392.411 3.221 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)cc1 408908237 QPISRQZJCKAGCN-NGIIGVMLSA-N 397.475 3.283 50 40 GGGB O=C(NNC(=S)NCCCc1ccccc1)c1cccc(-n2cccc2)c1 408585088 CJVNEHHZEMSTPW-UHFFFAOYSA-N 378.501 3.219 50 40 GGGB CCC(=O)N1CCc2cc(C(=O)NNC(=O)c3oc4ccccc4c3C)ccc21 40144208 GRJQOHKEXVMEAS-UHFFFAOYSA-N 391.427 3.115 50 40 GGGB CN1c2ccccc2C2=C([C@H](c3cccc(Cl)c3)C(C#N)=C(N)O2)S1(=O)=O 20558344 NIFDNDHNHHSHGK-MRXNPFEDSA-N 399.859 3.296 50 40 GGGB CCN1c2ccccc2C2=C([C@H](c3ccccc3)C(C#N)=C(N)O2)S1(=O)=O 20558379 HIHLMIAEDCCKQO-QGZVFWFLSA-N 379.441 3.033 50 40 GGGB COc1ccc(Nc2cc(C)[nH]c(=O)n2)cc1CN(CCCl)CCCl 1696744 HTTCOFCKZLQVHV-UHFFFAOYSA-N 385.295 3.110 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)N(C)Cc1ccc(F)cc1F 24968685 LRPQZLLMSZJUNA-UHFFFAOYSA-N 383.782 3.113 50 40 GGGB O=C(N/N=C\c1c(F)cccc1Cl)C(=O)Nc1cccc(Br)c1 59444774 PNVPONLHIQRRHN-UWVJOHFNSA-N 398.619 3.330 50 40 GGGB C[C@@H](NC(=O)NNC(=O)c1cc(Br)c[nH]1)c1ccccc1Cl 12698634 QALBOTZIUMRWGV-MRVPVSSYSA-N 385.649 3.136 50 40 GGGB Cc1ccc(S(=O)(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 4691082 FJCMFEWDQVHRJO-UHFFFAOYSA-N 396.468 3.051 50 40 GGGB Cc1ccc(NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)cc1Cl 8474782 NXCCJOCNSXHYLU-DPRAMHIHSA-N 384.657 3.158 50 40 GGGB CCOc1ccc2nc(SCC(=O)NNC(=O)c3cccs3)sc2c1 6787749 SNXSPNPSSXIKQH-UHFFFAOYSA-N 393.515 3.310 50 40 GGGB COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)NC(C)C)cc1 3582612 YUCPMJLVCNLHAN-XDHOZWIPSA-N 378.428 3.484 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 5111945 RKRMOJMCYWQFIM-CXUHLZMHSA-N 380.400 3.176 50 40 GGGB CCN(NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(C)cc1 23790585 FTRUGVKEBNJJEU-UHFFFAOYSA-N 378.476 3.269 50 40 GGGB O=C(NNC(=O)C1(c2ccc(Br)cc2)CCCC1)c1ccco1 25242336 AGPJRNUJTNRUBU-UHFFFAOYSA-N 377.238 3.315 50 40 GGGB N#CCOc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 43776693 XVMBHNHUWQWKMC-UFFVCSGVSA-N 378.215 3.425 50 40 GGGB O=C(NNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccn1 44774312 PBKAAJJAOYBWRM-KBPBESRZSA-N 378.457 3.202 50 40 GGGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(N2CCCC2)o1 59138230 QKVGCCNZQPLSBO-YBFXNURJSA-N 392.253 3.171 50 40 GGGB CCCCN1C(=O)/C(=N/NC(=O)COc2ccccc2C)c2cc(OC)ccc21 100870181 AWWBWIUCOIASNV-DARPEHSRSA-N 395.459 3.050 50 40 GGGB C[C@H](C(=O)N/N=C/c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 954814 XLDQQBABDDGQDY-XIJPWPHISA-N 380.473 3.048 50 40 GGGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)N1CCCCCC1 2313792 GHUHQHJELLUBBT-XQNSMLJCSA-N 379.460 3.118 50 40 GGGB Cc1ccc2nc(SCC(=O)NNC(=O)COc3ccccc3)c(C)cc2c1 4126635 JVVJJEMLRKPLTG-UHFFFAOYSA-N 395.484 3.170 50 40 GGGB Cc1ccc2oc(C(=O)NNC(=O)Cc3cccc4ccccc34)cc(=O)c2c1 12061941 CTZKXPVTKRNFIE-UHFFFAOYSA-N 386.407 3.258 50 40 GGGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914822 WJINMEWMZMELMQ-UFFVCSGVSA-N 380.231 3.396 50 40 GGGB CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1OC 408804772 ZJDVXAXUUWQYAY-QGOAFFKASA-N 394.427 3.496 50 40 GGGB N#Cc1ccc(C(=O)N/N=C/c2ccc(I)cc2)c(F)c1 408965104 GEEYPDOTLCHOJR-DJKKODMXSA-N 393.159 3.066 50 40 GGGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1C 409185223 ULTHVHCMUIRXGY-WYMPLXKRSA-N 397.475 3.196 50 40 GGGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1cccnc1 3387244 RAHVAMNLOHVVEN-UHFFFAOYSA-N 394.412 3.216 50 40 GGGB O=C(CCCn1c(=O)oc2ccccc21)NNc1c(F)c(F)cc(F)c1F 7785575 JTTAEOCBIYLQCM-UHFFFAOYSA-N 383.301 3.074 50 40 GGGB COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)c(OC)c1 5206529 HXWRHGGNANOHFK-VXLYETTFSA-N 393.237 3.239 50 40 GGGB CCOC(=O)/C(C#N)=C/Nc1cc(C(=O)OCC)cc2c(OC)c(OC)ccc12 13597760 NJPISWWUUVESGB-WYMLVPIESA-N 398.415 3.416 50 40 GGGB CC(C)=NNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 58925957 RYKJZTKCNMVREX-UHFFFAOYSA-N 393.896 3.432 50 40 GGGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2337732 KKHIRTWJXFYMLW-JQSQVVPISA-N 383.860 3.252 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1O 59101841 RJVNOISLXZJGON-AWQFTUOYSA-N 396.230 3.187 50 40 GGGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)CNC3CCCCC3)c2C)cc1 409382323 RTNWLRWRUWMVLR-ZVHZXABRSA-N 382.508 3.475 50 40 GGGB CCCNC(=O)NN(C(=O)NCCC)c1nc(-c2cccc(O)c2)cs1 5243555 STJZIZUNFICSRQ-UHFFFAOYSA-N 377.470 3.066 50 40 GGGB O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1ccc(OC2CCCC2)cc1 6970463 XOMSCABOBJSYGV-UHFFFAOYSA-N 399.472 3.368 50 40 GGGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1O 409362585 RQZZIEDILAYXKE-GRSHGNNSSA-N 377.238 3.165 50 40 GGGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(Cl)c1OC 6207208 BTKFYPXWMHGSNP-SRZZPIQSSA-N 389.839 3.470 50 40 GGGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(OC)c1 2773930 VPNJVAZXEXNDFO-MDWZMJQESA-N 383.360 3.166 50 40 GGGB COc1cccc(/C=N/NC(=O)[C@@H](C)Nc2ccc(Br)cc2)c1O 687088 OQKZVLKXSNZFKM-VURRPDKYSA-N 392.253 3.114 50 40 GGGB O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 8381663 UEJIHFYVLFOKEU-UHFFFAOYSA-N 381.482 3.364 50 40 GGGB Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cccs2)cc1 7727781 REXFJGMMQYWAJA-UHFFFAOYSA-N 378.500 3.408 50 40 GGGB COc1cccc(CC(=O)N/N=C\c2ccc(N3CCCCC3)cc2OC)c1 409228860 GCKCVYBLMHXNRZ-KQWNVCNZSA-N 381.476 3.387 50 40 GGGB O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)c1cccs1 6529239 ZJFCVJARWAGBSS-UHFFFAOYSA-N 395.509 3.216 50 40 GGGB Cc1ccccc1SCC(=O)NNC(=O)c1ccc(Br)s1 7652795 NZKZOBOYDTWKIE-UHFFFAOYSA-N 385.308 3.372 50 40 GGGB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2)N1C(=O)CCl 11692277 NGKFADZEKPUTMI-FXAWDEMLSA-N 382.847 3.422 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 13847767 SXCIJGOSVYJFPN-MQWSALKESA-N 384.348 3.006 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)CNc2ccc(Cl)cc2)cc1[N+](=O)[O-] 409360405 FHQKDSPGYBCRSQ-RGVLZGJSSA-N 376.800 3.209 50 40 GGGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 1102818 ZYWLJTTZSHLXIS-BHSKHCGUSA-N 385.423 3.321 50 40 GGGB CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4c(F)cccc4Cl)[C@H]3[C@@H]1CC2 100213650 SDNICZOASPRHKD-GDKNAVJSSA-N 393.853 3.365 50 40 GGGB CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1 6263062 MXPIATSGJKLUBI-UHFFFAOYSA-N 391.880 3.077 50 40 GGGB O=C(COc1ccc(F)cc1)NNC(=S)Nc1cccc(C(F)(F)F)c1 2388567 YDNDDVDEELTINO-UHFFFAOYSA-N 387.358 3.241 50 40 GGGB CCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2ccccn2c1=O 2421851 OAJDSKCBMXPSID-FOWTUZBSSA-N 388.427 3.147 50 40 GGGB O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccccc1O 3112420 IVULLOZFJAWARQ-YBFXNURJSA-N 390.237 3.024 50 40 GGGB Cc1ccc(NCC(=O)NNC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c(C)c1 102673894 VNVFEECMKXLZKR-AJHHTPGJSA-N 389.927 3.441 50 40 GGGB Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(O)cc2O)c(Br)c1 725373 MWSYZPMUCPOPFE-UFWORHAWSA-N 393.237 3.006 50 40 GGGB O=C(NNC(=O)c1cccs1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 984062 CKPPMDWOFLUEBT-UHFFFAOYSA-N 388.758 3.143 50 40 GGGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 3049770 FFMKUKINUNHPNC-YDZHTSKRSA-N 387.867 3.285 50 40 GGGB CC/C(=N\NC(=O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 12402002 GWJPGKQRJDXERZ-DYTRJAOYSA-N 377.404 3.384 50 40 GGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)c1 59444436 XPIBPVKXPRGWGY-AWQFTUOYSA-N 396.230 3.099 50 40 GGGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)Cc1ccc(Cl)cc1 100923056 SFXWFHHPIHGYHW-OEAKJJBVSA-N 386.883 3.469 50 40 GGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCc1ccccc1 408609846 LSNSCTWDLAFUNP-YQCVNYCESA-N 397.475 3.029 50 40 GGGB CC(C)=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 408774080 AGFIFNGOIXDDDW-UHFFFAOYSA-N 387.505 3.319 50 40 GGGB N#C/C(=C\c1ccc(I)o1)C(=O)NCCc1ccccc1 408798873 GIANEQUQNWBKKI-JLHYYAGUSA-N 392.196 3.150 50 40 GGGB CCCOc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 409258894 YDCOVONWVQYHJF-NLKUQUHMSA-N 379.460 3.287 50 40 GGGB CC(=O)N(C(=O)CC(=O)NNCc1ccccc1Cl)c1ccc(Cl)cc1 1638617 DNJJVWCLXXGBAB-UHFFFAOYSA-N 394.258 3.084 50 40 GGGB CN(C)c1ccc(NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C)cc1 8733446 CPKODBXGNGNQIT-OAHLLOKOSA-N 384.318 3.007 50 40 GGGB N#C/C(=C\c1ccc(Br)cc1)C(=O)NCc1ccc2c(c1)OCO2 59297558 DSLWZUQSHRIAIH-VGOFMYFVSA-N 385.217 3.401 50 40 GGGB CCOC(=O)Cn1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)c2ccccc21 9113712 XZPDPWNNEDERAU-LWXUMAQDSA-N 381.476 3.481 50 40 GGGB COc1cccc(/C=C(\C#N)C(N)=O)c1OCc1ccc(Br)cc1 3255656 YDRCRVUPGLPUKF-NTEUORMPSA-N 387.233 3.429 50 40 GGGB COc1ccc(N/C=C2\C(=O)N(CCC(C)C)C(=O)C(C#N)=C2C)cc1OC 9423161 QQXOHBQBPYEFGO-ATVHPVEESA-N 383.448 3.255 50 40 GGGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 16741456 RNZTUPFHYACMNT-BOPFTXTBSA-N 380.375 3.060 50 40 GGGB O=C1C=C(NNC(=O)c2ccc(Br)cc2)C[C@H](c2ccco2)C1 408751394 LRNFJUUVNDLMBI-LBPRGKRZSA-N 375.222 3.307 50 40 GGGB O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])c1cc2cc([N+](=O)[O-])ccc2s1 33591073 FHWZHHPOKXEELE-CAOOACKPSA-N 386.345 3.187 50 40 GGGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc2ccccc2c1 4179672 DPLAVAISULIEAQ-LPYMAVHISA-N 392.415 3.343 50 40 GGGB Cc1ccccc1NCC(=O)N/N=C\c1ccc(Br)c([N+](=O)[O-])c1 30952361 CPXOAAKCQWGOMJ-OCKHKDLRSA-N 391.225 3.228 50 40 GGGB CCCCOC(=O)[C@@H](Br)[C@H](Br)C(=O)OCCCC 4726149 WOHNIDNINFYOAI-UWVGGRQHSA-N 388.096 3.200 50 40 GGGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCCC3)=C2C#N)cc1 6355275 XETCWGDYOHSNFB-QGZVFWFLSA-N 399.516 3.170 50 40 GGGB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)c1 59109316 VUCSAQZNTQSIOV-SRZZPIQSSA-N 378.340 3.107 50 40 GGGB COc1ccc(Br)cc1/C=N\NC(=O)[C@H]1OCCc2ccccc21 26503719 BTWIFXBZOAPOOT-BCUAHEQISA-N 389.249 3.222 50 40 GGGB COC(=O)Cn1nc(C)c(CNC(=O)CCCC[C@@H]2CCSS2)c1C 95448215 USPDRGKEYGSKLA-CQSZACIVSA-N 385.555 3.003 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@]12C(=O)Nc1ccccc12 6733528 XQIJBLHREKVLOP-FQEVSTJZSA-N 389.802 3.055 50 40 GGGB CC(=O)N/N=C/c1cc(C)n(-c2ccc(I)c(C)c2)c1C 408788010 CDXMRQKXKGCMTN-GIJQJNRQSA-N 395.244 3.477 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(Cl)c1OC 33623781 OXQSZUHADHANHO-KEBDBYFISA-N 375.812 3.080 50 40 GGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)cc1 8237051 ZDJYQIWLQOXLAR-GHRIWEEISA-N 375.384 3.311 50 40 GGGB CN1CCC(=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 4482240 KDRQYVOWERZXRW-UHFFFAOYSA-N 376.504 3.056 50 40 GGGB C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 4714615 HGWWCISMNGBSAE-LDADJPATSA-N 388.405 3.277 50 40 GGGB CN1C(=C(C#N)C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)N(C)c2ccccc21 12562824 FXAAUOCDUQCEAF-KRWDZBQOSA-N 382.464 3.276 50 40 GGGB O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 59459740 MJMWONNLYJFINF-ODCIPOBUSA-N 385.729 3.153 50 40 GGGB CCOC(=O)c1ccccc1N/C=C(\C#N)S(=O)(=O)c1ccc(OC)cc1 9304420 SOFYHPVGQZRSPX-DTQAZKPQSA-N 386.429 3.123 50 40 GGGB Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)c(C)c1C 7907462 MBWKELBJFLZPNV-UHFFFAOYSA-N 399.516 3.344 50 40 GGGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccnc2)cc1 409005129 CRBRFBFOSVEEHV-CFRMEGHHSA-N 388.427 3.171 50 40 GGGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 408892391 AXSJSQFOEOANBV-MDWZMJQESA-N 383.360 3.166 50 40 GGGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)c1 409063635 DBQMALMPDJLJDY-CIAFOILYSA-N 378.388 3.472 50 40 GGGB CCOC(=O)C1=C(CBr)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 35326454 RDRVTDOCRNBMMU-ZDUSSCGKSA-N 387.661 3.248 50 40 GGGB Cn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1ccccc1 1002120 FRRVOSVJLZLCAV-RGVLZGJSSA-N 385.880 3.378 50 40 GGGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccc(Br)cc1 2620899 UWJGMUNBOCIVML-UHFFFAOYSA-N 386.249 3.324 50 40 GGGB CCCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 409261990 GPYOZKXMRMGCJE-DXRSZSRVSA-N 383.423 3.118 50 40 GGGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)c2)n1 5739905 QHYCRRGZJPPVHC-OEAKJJBVSA-N 375.476 3.378 50 40 GGGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(O)c1 16678419 NZLOLHWXCCGIPG-PDGQHHTCSA-N 379.460 3.470 50 40 GGGB Cc1ccc(NC(=O)COC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)c(Cl)c1 6404434 GPSRPIACRLEXSM-AUWJEWJLSA-N 398.802 3.466 50 40 GGGB Cc1cccc(OCC(=O)NNC(=O)c2cccnc2Sc2ccccc2)c1 22504865 IXDGRUDRRGXLLZ-UHFFFAOYSA-N 393.468 3.381 50 40 GGGB COc1ccc([C@@H]2O[C@](C)(CBr)C(=O)[C@H]2Br)cc1 3764253 BBAHDLBBQNAVTM-GMXVVIOVSA-N 378.060 3.253 50 40 GGGB C/C(=N/NC(=O)c1ccccc1I)c1ccc(O)cc1 17146269 ATHISVIAMLFBQM-YVLHZVERSA-N 380.185 3.151 50 40 GGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)O 408745649 OBGXVADEGHFENK-GDNBJRDFSA-N 396.399 3.103 50 40 GGGB CC(C)N1CC=C2[C@H](C1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 20026562 QRXQVBGVCNDBEU-LPHOPBHVSA-N 377.879 3.474 50 40 GGGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C 408592500 YROVLWDPNILYKO-ZVHZXABRSA-N 390.443 3.430 50 40 GGGB O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 826009 UBRINQKQCCDMGX-WVISFHDSSA-N 376.243 3.497 50 40 GGGB NNC(=O)c1cn(C(=O)c2cc(Br)ccc2Cl)c2ccccc12 226366871 XEAHITAYZWTYOG-UHFFFAOYSA-N 392.640 3.349 50 40 GGGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 102273966 QQHNJSVYAJPFCC-LGMDPLHJSA-N 393.472 3.312 50 40 GGGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)N(CC)CC)=C2C#N)cc1 6325190 UGXFLGZGUAMWBZ-INIZCTEOSA-N 387.505 3.026 50 40 GGGB O=C(NNc1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 58158791 WOTOIVOVUWLLSA-NSHDSACASA-N 392.228 3.084 50 40 GGGB CCCCNC(=O)NNC(=O)CSc1cc(C)c(Br)cc1C 3371602 OUCMISDYBKLKBX-UHFFFAOYSA-N 388.331 3.289 50 40 GGGB Cc1c(C(=O)NNC(=O)c2ccc(-c3cccs3)[nH]c2=O)oc2ccccc12 65568399 FSEJLKNQNZAKPN-UHFFFAOYSA-N 393.424 3.233 50 40 GGGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1 408799029 GQAMBJMRWDOOSH-NTUHNPAUSA-N 386.791 3.358 50 40 GGGB Cc1ccc(N2C(=O)[C@@H]3SC(N)=C(C#N)[C@@H](c4ccco4)[C@@H]3C2=O)cc1Cl 102355301 DEGSFFNJGRWOOP-HRCADAONSA-N 399.859 3.324 50 40 GGGB CC(=O)N(NC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1)c1ccccn1 904507 LNZPJUGUKABQMG-UHFFFAOYSA-N 389.455 3.019 50 40 GGGB CCOc1ccccc1NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C 8733059 LSZOVIPBTQJMMR-OAHLLOKOSA-N 385.302 3.340 50 40 GGGB C/C(=N\NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1 58900414 TXNXUUMVBGBZRQ-RQZCQDPDSA-N 378.182 3.217 50 40 GGGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(N)=O 3231297 OYQBFZHJZGQDGO-RUDMXATFSA-N 386.043 3.169 50 40 GGGB O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 59437444 HCFNRGSTCKULCU-YDZHTSKRSA-N 375.384 3.123 50 40 GGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cccc(OC)c1OC)c1ccccc1 408976337 AMLAPGFMSKQFHV-FEMWLQECSA-N 399.447 3.031 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(F)cc1 16739390 PWPLCVOANSMWGF-QUWSGOTNSA-N 395.459 3.306 50 40 GGGB CCCN1C(=O)/C(=N\NC(=O)c2ccc(Br)cc2)c2ccccc21 6139068 NTRCFMNUGGASDH-SILNSSARSA-N 386.249 3.340 50 40 GGGB COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 832012 DLQWXZDYFWCQPD-SNVBAGLBSA-N 383.231 3.231 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1Br 1445232 MJRBNAQAFBBTIV-VXLYETTFSA-N 393.237 3.239 50 40 GGGB Cc1ccc(-n2cnc3c(N(CCCl)CCCl)ncnc32)cc1[N+](=O)[O-] 4824389 KKJCXFLNZIHQHO-UHFFFAOYSA-N 395.250 3.316 50 40 GGGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1O 408964883 SZMKTLPDKDBGEA-DNTJNYDQSA-N 383.282 3.092 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCc1ccccc1C#N 4739608 CBKPBXZHKGNKBG-AFUMVMLFSA-N 386.411 3.305 50 40 GGGB C/C=C/C=N/NC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 408982425 XVYOGHRKFHXCIL-JVUWQWEKSA-N 385.489 3.083 50 40 GGGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1ccc(O)c(O)c1 30760616 JZZHIOXKDAFLOV-UWVJOHFNSA-N 393.237 3.006 50 40 GGGB COc1ccc(C(C)=NNC(=O)c2cccc(Cn3cccn3)c2)c(OC)c1 254380743 LNFSOWQMHZNWGY-UHFFFAOYSA-N 378.432 3.103 50 40 GGGB C[C@H](Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)C(=O)O 4083832 YMSDPXLIKNATEZ-WXUSHSQQSA-N 377.400 3.093 50 40 GGGB N#C/C(C(=O)N1CCCCC1)=C1/N=C(NC(=O)c2cccs2)c2ccccc21 12416261 SIEBIGBQMNAWKR-VLGSPTGOSA-N 390.468 3.185 50 40 GGGB O=C(NNC(=O)c1ccco1)c1cccc(COc2ccc3c(c2)CCC3)c1 1088137 RXFNNLGKNVSMDT-UHFFFAOYSA-N 376.412 3.422 50 40 GGGB COC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2c(C)cccn2c1=O 2407310 HCRGNAUPXAPOQT-JLHYYAGUSA-N 379.347 3.014 50 40 GGGB C#CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 4209614 CRVJYIPFZYVZAG-XIEYBQDHSA-N 384.435 3.085 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1O 409000720 ZVGPNADUXISERP-OEAKJJBVSA-N 389.411 3.417 50 40 GGGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(OCCC)cc1 20197261 RAOCDJCTAIIUOZ-KGENOOAVSA-N 381.388 3.160 50 40 GGGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCC(N)=O 408580323 OINFVFFFENQESW-RIYZIHGNSA-N 387.233 3.386 50 40 GGGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 408815492 RLCUXTPIDBNLSG-IDJPSDCMSA-N 391.265 3.216 50 40 GGGB COc1cc(C(=O)NNc2nc(C)cc(C)n2)ccc1OCc1ccccc1 11333861 QOBNGSQSEDMRLS-UHFFFAOYSA-N 378.432 3.438 50 40 GGGB COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N32)cc1 12275105 SIVKXVFYXYJTLP-HRAATJIYSA-N 396.443 3.477 50 40 GGGB C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl 4697908 JEDVMNHTQJXALE-SRZZPIQSSA-N 389.799 3.086 50 40 GGGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Cl)c1O 6580204 YXTPONHFXAROEH-CNHKJKLMSA-N 399.628 3.286 50 40 GGGB CCCCCCC(=O)NN/C=C1/C(=O)N(c2ccccc2Cl)C(=O)N=C1O 38162289 RWURFLYTQJNDPF-VAWYXSNFSA-N 392.843 3.238 50 40 GGGB CCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(SC)cc2)CC(=O)N1 6324089 GCEOXHOPGPGWKQ-CQSZACIVSA-N 375.519 3.007 50 40 GGGB COc1ccc(F)c(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1F 89435019 IMOQOBBLWYTEOD-UHFFFAOYSA-N 378.419 3.341 50 40 GGGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 59433949 ALOFYIJKVVUKEP-AWQFTUOYSA-N 380.231 3.399 50 40 GGGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC 3588620 VEGGVPALEKDFGJ-OVCLIPMQSA-N 377.393 3.190 50 40 GGGB CO[C@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1 408997945 PDWMEAYSVIUJDS-QCBCRBAMSA-N 396.447 3.423 50 40 GGGB O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc2c(c1)OCO2 3088671 IENQNEZKBMDXLC-DNTJNYDQSA-N 394.214 3.201 50 40 GGGB O=C(N/N=C/c1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 6222244 HRQGHPRKOFMAIR-IMRMQAIZSA-N 376.243 3.497 50 40 GGGB O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccccc1 102953958 QDRMACITKPYCAS-LGBHXNNWSA-N 377.282 3.182 50 40 GGGB O=C(CCOc1cccc(Br)c1)N/N=C/c1cccc([N+](=O)[O-])c1 1444171 CWAHVDJJTOSDIX-WOJGMQOQSA-N 392.209 3.277 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(C)c2)c(OC)c1 1917584 GIPOYOIWHIXKGI-LDADJPATSA-N 376.412 3.432 50 40 GGGB COC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 3643943 AQCFOPMQHLUKLK-ZRDIBKRKSA-N 381.775 3.220 50 40 GGGB Cc1ccn2cc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 21286365 SHNKKAWIFVVPHW-UHFFFAOYSA-N 379.298 3.327 50 40 GGGB Cc1cc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc(C)c1Cl 30937356 RTXHRDKDQPNCIC-UFWORHAWSA-N 377.784 3.100 50 40 GGGB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)N2C(=N1)SC(C#N)=C2N 408605280 LMHQWEIZEPTVML-QGZVFWFLSA-N 398.488 3.423 50 40 GGGB COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)c3ccco3)c3ccccc32)o1 409393595 RCAOSFNRJBCJMS-JJFYIABZSA-N 391.383 3.426 50 40 GGGB O=C(CSc1ccc2ccccc2c1)NNC(=O)c1ccc2c(c1)OCO2 6508551 VYXNCUPESWMJAE-UHFFFAOYSA-N 380.425 3.122 50 40 GGGB COc1cc(Br)c(/C=N/NC(=O)Cc2cccs2)cc1OC 8446781 CTRHFBGZIFHRTD-RQZCQDPDSA-N 383.267 3.221 50 40 GGGB O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccnc1 12782914 PYCGLWDCXPVTSQ-UHFFFAOYSA-N 383.411 3.009 50 40 GGGB Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)Cc1ccc(Cl)cc1 24490382 QNYDHZDDOFZOHT-UHFFFAOYSA-N 389.864 3.298 50 40 GGGB O=C(NN(Cc1ccccc1)Cc1ccccc1)c1n[nH]c(=O)c2ccccc12 33028313 CPQLBZCBMRJJRF-UHFFFAOYSA-N 384.439 3.270 50 40 GGGB Cc1ccccc1C(=O)NNC(=O)c1c(C)nn(-c2ccc(F)cc2F)c1C 47587316 GEHMFHOHHFXOCE-UHFFFAOYSA-N 384.386 3.151 50 40 GGGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)COc1ccc(Cl)cc1Cl 100510199 TYXPLTBFYQWEKN-SRZZPIQSSA-N 398.246 3.164 50 40 GGGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccco2)c1C 408992775 BUKFFROUXMUQSW-RGVLZGJSSA-N 382.376 3.368 50 40 GGGB CCOc1cc2c(cc1/C=N/NC(=O)CSc1ccc(OC)cc1)OCO2 409097428 MFYPSHQFWVLQQG-KEBDBYFISA-N 388.445 3.065 50 40 GGGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1N1CCOCC1 409233325 UYCVJWJDZOKWHK-XLNRJJMWSA-N 389.499 3.488 50 40 GGGB COc1ccc(CC(=O)N/N=C\c2ccc(C)c(Br)c2)cc1OC 409362685 JUDHAGGHQBLSNU-JAIQZWGSSA-N 391.265 3.468 50 40 GGGB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNC(=O)C(C)C)cc12 24274800 BSCVKUZMABGBCZ-UHFFFAOYSA-N 376.869 3.466 50 40 GGGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1c(C#N)c(N)nc(N2CCCCC2)c1C#N 25777660 BIOHBFWWQDDBSB-OQLLNIDSSA-N 399.414 3.370 50 40 GGGB N#CCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1C#N 4513448 JSZMMHMLUSFSPY-SSDVNMTOSA-N 397.232 3.264 50 40 GGGB COc1ccc(OCCC(=O)NNc2c(F)c(F)c(F)c(F)c2F)cc1 15975308 RQSZZIWOAVNTRA-UHFFFAOYSA-N 376.281 3.303 50 40 GGGB CCc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)cc1 409029133 WPCWUGLMYRRLGV-UHFFFAOYSA-N 399.516 3.491 50 40 GGGB COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2F)=C(C#N)[C@@H]1c1ccccc1 409129156 QYORFHZAASAVMT-ROUUACIJSA-N 396.443 3.497 50 40 GGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2c(OCC#N)ccc3ccccc23)cc1 33674329 LWBRGHLBSBOYEO-ZVHZXABRSA-N 386.411 3.464 50 40 GGGB COc1ccc(C=NNC(=O)c2c(C)n(C)c3ccc(OC)cc23)c(OC)c1 252678294 DGLVTUGQEWGHDY-UHFFFAOYSA-N 381.432 3.276 50 40 GGGB O=C(CCCC[C@@H]1CCSS1)NCc1nc(-c2cccnc2O)no1 575610018 OCKKWIACSGLOLZ-LLVKDONJSA-N 380.495 3.168 50 40 GGGB Cc1ccc(C(=O)NNC(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1 32794923 RTGWGBAFOFAAJJ-UHFFFAOYSA-N 381.354 3.380 50 40 GGGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(OC)ccc2nc1Cl 870401 SDAAUMXYUUXIAG-INIZCTEOSA-N 385.807 3.151 50 40 GGGB O=C(N/N=C(/CNC(=O)c1ccccc1F)c1ccccc1)c1ccccc1 18191604 PECCBFOWDTVIHR-QQTULTPQSA-N 375.403 3.390 50 40 GGGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccnc2ccccc12 20086123 GEMVZKAHDQKUEJ-LJQANCHMSA-N 380.407 3.305 50 40 GGGB CCOc1ccc(C(=O)N/N=C/c2cc(OC)cc(Br)c2O)cc1 20764407 YKZHQTRAZGMICZ-VXLYETTFSA-N 393.237 3.326 50 40 GGGB Cc1ccc(OCCCC(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1 32721318 WSXDFQGSDQXACI-UHFFFAOYSA-N 377.444 3.472 50 40 GGGB Nc1ccc(C(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 1589846 AOWKPAWXZIGNML-LPYMAVHISA-N 379.291 3.317 50 40 GGGB N#CSc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(Br)c1 102633150 UZQBJOAVZLVNAT-AWRWRYAPSA-N 393.262 3.484 50 40 GGGB CCn1c(-c2ccccc2)cnc1SCC(=O)NNC(=O)Cc1ccccc1 4131069 BGSGLSCTDWCCQB-UHFFFAOYSA-N 394.500 3.052 50 40 GGGB COc1ccc2cc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)c(Cl)nc2c1 6794004 GDDHXAVUDKPGDO-UJPSCDQMSA-N 397.818 3.187 50 40 GGGB Cc1ccc(C2=N[C@](NC(=O)c3ccc(F)cc3)(C(Cl)Cl)C(=N)N2)cc1 101411691 PFGFQEUEKHBSJR-SFHVURJKSA-N 393.249 3.391 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1OCC 3083941 HQUXROSNWPXQEB-HYARGMPZSA-N 384.432 3.431 50 40 GGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccco3)cc2)cc1 58883171 GWKUWLZLPXCPHG-LPYMAVHISA-N 393.399 3.070 50 40 GGGB O=C(CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1)NCc1cccnc1 58914891 CRDUUXIUZXWDCS-ZMOGYAJESA-N 396.834 3.152 50 40 GGGB O=C(NN=C(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)nc1 25005194 HLJCBCZLHQLBPJ-UHFFFAOYSA-N 386.455 3.101 50 40 GGGB Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)Cc1cccc2ccccc12 12643169 VKPSRTDPXZKGOK-UHFFFAOYSA-N 392.503 3.242 50 40 GGGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccccc1Br 20760121 CPRVSBLFJONAOY-UDWIEESQSA-N 387.233 3.234 50 40 GGGB Cc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccco3)cccc2[N+](=O)[O-])c1 409219861 QYYMRFPJAFUKCT-MTJSOVHGSA-N 393.355 3.479 50 40 GGGB Cn1c2ccccc2c2ccc(CC(=O)N/N=C3/C(=O)Nc4ccccc43)cc21 5615956 CDIPNYMLRUSCBH-UHFFFAOYSA-N 382.423 3.347 50 40 GGGB COc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccccc2)=C1C#N 8973061 NNWFWTGLQQXYTA-MRXNPFEDSA-N 393.468 3.406 50 40 GGGB COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1O 409366711 XQAZTSJRFKXXEH-JMIUGGIZSA-N 391.265 3.473 50 40 GGGB CCCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])c(OC)cc2OC)cc1 20197518 PHERPOAFORLXSI-UDWIEESQSA-N 387.392 3.165 50 40 GGGB COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccccn3)c2C)cc1 409220542 BGWMGNLWBQSZMG-QRVIBDJDSA-N 378.432 3.027 50 40 GGGB Cc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1 408970277 FCRFMVVANFCWRD-PGLVWIQMSA-N 395.503 3.363 50 40 GGGB Cc1cc(/C=N\NC(=O)CN2CCOCC2)c(C)n1-c1ccc2ccccc2c1 408995871 BSTWPQFXZVZPAU-IWIPYMOSSA-N 390.487 3.030 50 40 GGGB C#CCOc1ccccc1/C=N\NC(=O)c1ccc(OCC=C)c(OCC)c1 6355069 UZEALJAPPMAHOK-KQWNVCNZSA-N 378.428 3.426 50 40 GGGB O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1cccc(Br)c1 1959914 VTJXGNVULXMYEZ-RGVLZGJSSA-N 392.228 3.457 50 40 GGGB COc1cc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)ccc1O 20827751 UVOILCKHMIOQLH-PTXOJBNSSA-N 389.626 3.102 50 40 GGGB CCc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 3193934 DNTWTSFSHFOBPK-HYARGMPZSA-N 383.448 3.135 50 40 GGGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1Br 4177340 CYEISOIJVNSMNH-SFHVURJKSA-N 397.228 3.385 50 40 GGGB Cc1nc(N2CCN(C(=O)CCCl)CC2)c2c3c(sc2n1)CCCC3 4217133 AVVMFSXWMANXQH-UHFFFAOYSA-N 378.929 3.156 50 40 GGGB CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1 6265016 UHPJCSZHHRCVNN-UHFFFAOYSA-N 391.880 3.078 50 40 GGGB COc1ccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1 59433250 ONQOBMFNYQMCOD-YBFXNURJSA-N 376.254 3.288 50 40 GGGB COc1ccc(/C(C)=N/NC(=O)CCC(=O)Nc2cccc(C)c2)c(OC)c1 4751028 ZXGDHEGOJMXNCN-HZHRSRAPSA-N 383.448 3.271 50 40 GGGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C 408995462 AHMPWNHLGPNOPD-PVGUKEHMSA-N 386.477 3.433 50 40 GGGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)OC)c(OC)c2)cc1 408794757 JDKOBYLGZFSQCB-GZTJUZNOSA-N 394.427 3.355 50 40 GGGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccccc1Cl 5678891 NJPATHIBZZBBCF-REZTVBANSA-N 398.600 3.480 50 40 GGGB CCOc1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1OC 15475942 LXRFGQYAMALSNJ-UHFFFAOYSA-N 378.428 3.251 50 40 GGGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCl)OCc1ccccc1 3666183 ZUQJYRMHWORXSY-LJQANCHMSA-N 399.878 3.360 50 40 GGGB COc1cc(C(=O)NNc2nc3c(F)cccc3s2)cc(OC)c1OC 4121338 CTORVHJIRGQESD-UHFFFAOYSA-N 377.397 3.218 50 40 GGGB COc1ccc(/C=C/C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 4616673 BNEVXXYITSJTEE-XYOKQWHBSA-N 382.460 3.367 50 40 GGGB CC(C)=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409027320 ADWDSDYDZXUIQT-UHFFFAOYSA-N 379.869 3.047 50 40 GGGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(CN2CCOCC2)cc1 23382919 HTEVIXDEHWEWDO-ZMOGYAJESA-N 391.393 3.302 50 40 GGGB CCOc1ccc(N[C@H](C)C(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 2744656 LUUCYVMMIJZCMR-KIHMUJGBSA-N 391.855 3.404 50 40 GGGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)C(C)(C)C 59366764 IOBWVFMYZHXBHZ-LTGZKZEYSA-N 387.505 3.420 50 40 GGGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OC)c(OC)c2)cc1 10475981 UVABSRLRLGCIEX-CIAFOILYSA-N 376.840 3.449 50 40 GGGB CC(C)NC(=S)NNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 25529928 GWGCLBSMRWVSEN-STQMWFEESA-N 376.551 3.474 50 40 GGGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCCC2)cc1OC 16438028 LRVKZXVIXNXBFY-MDWZMJQESA-N 379.254 3.386 50 40 GGGB Cc1ccc(NC(=O)[C@@H](NNC(=O)CC(C)C)c2ccccc2)c([N+](=O)[O-])c1 15490803 XUILVEVLQDFLNL-IBGZPJMESA-N 384.436 3.250 50 40 GGGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(C)cc1O 1433711 MCTUZQKSKHOOEI-DJKKODMXSA-N 393.237 3.001 50 40 GGGB CCOc1cc(/C=N/NC(=O)OC)c(Br)c(Br)c1O 1185449 URLSFQLTDYFGBW-LHHJGKSTSA-N 396.035 3.006 50 40 GGGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(F)cccc3F)[C@H]2C1 20026684 BEVXILBRDMBEOP-KXBFYZLASA-N 379.414 3.100 50 40 GGGB Cc1ccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)c(C#N)c2C)cc1 409059377 MRISKNUFZFZSMU-MXAYSNPKSA-N 399.454 3.102 50 40 GGGB O=C(N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccccn1 408543646 RVMNDPKHOWEJQZ-FOKLQQMPSA-N 388.383 3.140 50 40 GGGB COC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1OC 408863820 RDYOJKNQAATUCH-HMHKGCENSA-N 388.445 3.471 50 40 GGGB O=C1C=C(NNC(=O)c2ccc(Br)cc2)C[C@@H](c2ccco2)C1 408751393 LRNFJUUVNDLMBI-GFCCVEGCSA-N 375.222 3.307 50 40 GGGB O=[N+]([O-])c1ccc(C2OCC(CBr)(CBr)CO2)cc1 852950 OVAIDYVHDTWVCB-UHFFFAOYSA-N 395.047 3.416 50 40 GGGB O=C(NN[C@H]1CC(c2ccccc2)=NN1C(=O)c1ccccc1)c1ccccc1 870185 ZQMCAAYWFGWLBJ-OAQYLSRUSA-N 384.439 3.198 50 40 GGGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 57476889 CCQJXODKGANADA-LPYMAVHISA-N 391.383 3.497 50 40 GGGB CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@H]1c1ccccc1 2269252 WTOSMKBQDAJCJK-GOSISDBHSA-N 376.412 3.477 50 40 GGGB CCOc1cccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c1O 104328220 CBEAWFXGQPGWLZ-FSJBWODESA-N 389.411 3.055 50 40 GGGB N#C/C(=C/c1ccc(C#N)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 96669535 HWPWGQFOLMSESS-RGEXLXHISA-N 382.427 3.040 50 40 GGGB C[C@@]1(C(=O)N/N=C/c2ccc(O)c(O)c2)NC2(CCCCC2)Cc2ccccc21 408734249 MEEZFFVDDDBOIX-VCOZGABYSA-N 393.487 3.312 50 40 GGGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408804420 FUESAILQYSOUTK-XNTDXEJSSA-N 377.356 3.161 50 40 GGGB Cc1occc1C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 40128901 OHCLMCVYDFLRCH-UHFFFAOYSA-N 381.344 3.363 50 40 GGGB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1 5060382 PHZGTZHFFFOOPG-QGZVFWFLSA-N 398.488 3.422 50 40 GGGB Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 848849 WZQBWJBMEQKCAT-FQEVSTJZSA-N 386.411 3.187 50 40 GGGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)c2c(c1)OCO2 36559132 JFLPFZZKAULZBF-FQEVSTJZSA-N 393.443 3.488 50 40 GGGB CCCOc1ccc(C(=O)N/N=C/c2cn(CC(=O)OC)c3ccccc23)cc1 20198087 OTUQUGVQSMXFRD-YDZHTSKRSA-N 393.443 3.367 50 40 GGGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(C)nn(-c2ccccc2)c1C 2786742 MWTKEQMHDZISAT-LJQANCHMSA-N 378.432 3.134 50 40 GGGB O=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1ccc(-n2cccc2)cc1 409136702 ULGMEOANSCTLRY-JLPGSUDCSA-N 392.434 3.217 50 40 GGGB O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 68774181 GLQDLSHSYQBSAB-OAHLLOKOSA-N 391.393 3.240 50 40 GGGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccc(O)c1 408980719 SPHBHRZEAYVCCG-KCOUNZPASA-N 387.439 3.404 50 40 GGGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2=O)cc1 408615805 SJYYSAVHQVRUJX-KRWDZBQOSA-N 393.487 3.107 50 40 GGGB CCOc1cc(/C=N/NC(=O)CNc2ccc(OC)cc2)cc(Cl)c1O 6296424 DWUBLFKQVFBHDN-UFFVCSGVSA-N 377.828 3.015 50 40 GGGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cccc(N(C)C)c1 409106289 RABCUFQZGJJKBT-HZHRSRAPSA-N 396.491 3.134 50 40 GGGB Cc1ccc2c(CSC3=C(C#N)C(C)(C)[C@H](C#N)C(=O)N3)cc(=O)oc2c1 5297361 PYDUXXIOFVTQTL-CQSZACIVSA-N 379.441 3.366 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1cccc(F)c1 5446483 SSZJYYYKQQKMGL-INIZCTEOSA-N 376.347 3.163 50 40 GGGB COc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC 4735239 GJXUDTRHVIUVAB-YBFXNURJSA-N 377.238 3.159 50 40 GGGB Cc1ccc2c(c1)c(/C=N\NC(=O)CSc1nc(C)cc(C)n1)c(C)n2C 409042473 KZKGYWLRFFMQMQ-FBHDLOMBSA-N 381.505 3.444 50 40 GGGB Cc1cc(Br)ccc1SCC(=O)NNC(=O)c1ccccc1 8491338 GXQFIEOLQFBIRV-UHFFFAOYSA-N 379.279 3.311 50 40 GGGB O=C(NCC(F)(F)F)N/N=C1/CCCOc2ccc(Br)cc21 84451668 TVPDUFPETWDDMU-GRSHGNNSSA-N 380.164 3.187 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC#N 408794859 TWSLFEHEAYJFMG-NTEUORMPSA-N 378.344 3.051 50 40 GGGB Cc1cc(C)nc(SCC(=O)N/N=C\c2c(C)n(C)c3c(C)cccc23)n1 409040334 HTDZCMIJLGXPQR-FBHDLOMBSA-N 381.505 3.444 50 40 GGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(C)=O 4953759 IGNBITGYCYAMSH-XNTDXEJSSA-N 395.371 3.464 50 40 GGGB CCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCC)cc2)CC(=O)N1 6323112 PWCQRGAOZGCHBG-MRXNPFEDSA-N 387.505 3.073 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/C=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 13847764 RHHMNKJOQDXMND-WSJMPXRGSA-N 384.348 3.006 50 40 GGGB COc1cc(OC)cc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c1 6236853 PSBKMFOZOWVWQZ-UHFFFAOYSA-N 390.439 3.297 50 40 GGGB C=CCNC(SCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)=C(C#N)C#N 6420457 LJMQFFJPWZHETK-HILYYZTDSA-N 384.549 3.475 50 40 GGGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(Cl)cc1 4814113 JRTPBGJXAAABKJ-IDUWFGFVSA-N 398.600 3.480 50 40 GGGB CCOc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1O 1091923 DOYDFEOAHWBYLN-WSDLNYQXSA-N 398.850 3.453 50 40 GGGB O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cc2ccccc2cc1O 5949335 CLRSXEJPBXAZMF-UHFFFAOYSA-N 392.436 3.322 50 40 GGGB O=C(NNC(=O)c1ccccc1Br)c1ccccc1Br 2022285 WYAPRDHCKLQNRU-UHFFFAOYSA-N 398.054 3.286 50 40 GGGB Cn1c(CC(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21 9908997 IVSGUQCGBKXCKI-UHFFFAOYSA-N 398.466 3.173 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1O 409380412 MMOZEBBTMICQAD-MLPAPPSSSA-N 390.237 3.259 50 40 GGGB CCOC(=O)COc1ccccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 408965265 VDAUNMOVGKPDCG-FOKLQQMPSA-N 394.349 3.411 50 40 GGGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Cl)c1OCC(=O)O 408954974 NZTLKTPWPTUJCR-NNHXSEJNSA-N 394.855 3.088 50 40 GGGB COc1ccc(CCNC[C@@H](O)COc2ccc(/C(C)=C/C#N)cc2)cc1OC 33953216 BMAJJBHGPUHERB-OTJDAXFFSA-N 396.487 3.203 50 40 GGGB COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)c1 5130263 NXEXNNBEGKSHDT-QGZVFWFLSA-N 392.390 3.451 50 40 GGGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)o2)cc1 827338 SAZIUHDPDTXQLD-SSDVNMTOSA-N 392.367 3.226 50 40 GGGB CCOc1cc(/C=N/NC(=O)Cc2ccc(F)cc2)cc(Br)c1O 1103921 HUSHSPRMXMHVHM-KEBDBYFISA-N 395.228 3.385 50 40 GGGB CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc2nccnc2c1 2388526 LJATWMZZSLXRPZ-ZVHZXABRSA-N 385.468 3.165 50 40 GGGB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNC(=O)c1ccccc1 3392769 DVXLQHFQYIAISU-UHFFFAOYSA-N 382.851 3.276 50 40 GGGB CC(=O)Nc1ccccc1[P@](=O)(c1ccccc1)c1ccccc1OC(C)=O 17544515 NYJGIOQAJBYYBQ-MUUNZHRXSA-N 393.379 3.210 50 40 GGGB O=C(N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21)c1ccccc1 100434016 YHGICGDDUVNNRN-ATJXCDBQSA-N 376.460 3.001 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCC3)c2C)cc1C 58911520 QXMLJVJPVOZQHA-YDZHTSKRSA-N 380.492 3.220 50 40 GGGB CC(C)CNC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914333 CMDHVNZGWSDQOR-NKVSQWTQSA-N 382.247 3.476 50 40 GGGB CCOc1ccc(CC(=O)NNC(=O)Nc2ccccc2C(F)(F)F)cc1 17077913 FSOOIEGLSIZNAI-UHFFFAOYSA-N 381.354 3.500 50 40 GGGB COc1ccccc1O[C@@H](C)C(=O)NNC(=O)Nc1ccccc1C(F)(F)F 17081233 SNQWAELRVOWWRE-NSHDSACASA-N 397.353 3.334 50 40 GGGB CN(c1ccc(C(=O)N/N=C/c2ccccc2)cc1)S(=O)(=O)c1ccccc1 18191711 HKWPCWSVEMRMFP-CJLVFECKSA-N 393.468 3.276 50 40 GGGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 28214103 VTFXETXXSUYCPP-QLPFJNHISA-N 399.516 3.221 50 40 GGGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1c(F)cccc1Cl 408894950 SKPKNLJRQDENLM-ZBKNUEDVSA-N 384.194 3.230 50 40 GGGB N#C/C(=C\c1ccc(OCC(N)=O)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 409224749 LOILCVRLSPBVOX-WUXMJOGZSA-N 390.226 3.403 50 40 GGGB O=C(N/N=C/c1ccc(OCc2ccccc2[N+](=O)[O-])cc1)c1ccncc1 41078020 SFXNDEVJCAIVKY-LPYMAVHISA-N 376.372 3.333 50 40 GGGB CCOC(=O)C/C(C)=N/NC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 4525809 FJAZVFJUBMNJIY-KEBDBYFISA-N 388.251 3.157 50 40 GGGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)C(=O)Nc1ccc(F)cc1 101192740 UJMZEULUTOGLEA-QXMHVHEDSA-N 399.378 3.088 50 40 GGGB O=C(CSc1nc2ccc(Cl)cc2[nH]1)NNC(=O)c1ccc(Cl)cc1 4406760 GCHMLVDBQZGUPO-UHFFFAOYSA-N 395.271 3.423 50 40 GGGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCCCC3)=C2C#N)cc1 6477535 NNFMJCNIJSGYTC-KRWDZBQOSA-N 383.517 3.470 50 40 GGGB CCOC(=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](/C(C#N)=C(\C)N)c1ccco1 57556969 KXGXTPJORJIIDP-GAGTYLRSSA-N 397.387 3.090 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(C)=O 4953756 AJVXRWNKUSAIBO-NTEUORMPSA-N 381.344 3.074 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1ccc(F)cc1 408970261 DTYRUGLDORGIJF-YDZHTSKRSA-N 378.407 3.322 50 40 GGGB Cc1c(C(=O)NN=Cc2ccc(-c3cccc(C(=O)O)c3)o2)sc(N)c1C#N 250996082 UPZOUOBDJDMMIJ-UHFFFAOYSA-N 394.412 3.233 50 40 GGGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCC(C)C)c2C)c(C)c1 58913922 QOQSWMKYARBFEO-CFRMEGHHSA-N 382.508 3.323 50 40 GGGB COc1ccccc1NC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 15933750 QLTPFCPWAZGCMR-CQSZACIVSA-N 379.416 3.469 50 40 GGGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 409001252 OPMZKIXNFNAPHJ-XDHOZWIPSA-N 385.380 3.113 50 40 GGGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2ccc(Cl)cc2)cc1 5663519 QCEQRDCZBULHAX-HOTGVXAUSA-N 392.242 3.134 50 40 GGGB Cc1ccccc1C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 5620162 FFPONMLRIOJHCG-CAOOACKPSA-N 378.182 3.135 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 1786123 DATBLRUIVVSUGC-SFQUDFHCSA-N 392.411 3.132 50 40 GGGB COc1ccc([C@@H]2C(C#N)=C(N)OC(c3ccccc3)=C2C#N)c(OC)c1OC 2241592 RTGLVDFOPYMSKD-SFHVURJKSA-N 389.411 3.455 50 40 GGGB CCOc1ccccc1OCC(=O)N/N=C/c1cccc(Br)c1 3039991 CKJRYJVCKQMQLJ-YBFXNURJSA-N 377.238 3.377 50 40 GGGB CC[C@H](N)C(=O)N/N=c1\cc(C)c2cc3c(cc2o1)OC1(CCCCC1)CC3 9531048 VCHYMJXZPXWPKZ-OVJLLXBISA-N 383.492 3.438 50 40 GGGB Cc1cccc2c1N=C(O)/C2=N\NC(=O)CSc1nc2ccccc2n1C 12529920 LGLPQHLJTPEYRU-UHFFFAOYSA-N 379.445 3.096 50 40 GGGB O=C(NNC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 59421967 SDLRAKKZTINWFU-UHFFFAOYSA-N 383.791 3.260 50 40 GGGB N#C/C(=C/c1cc([N+](=O)[O-])cc(Br)c1O)C(=O)NC1CCCC1 409188945 LBVKFDGVLRGITE-YHYXMXQVSA-N 380.198 3.029 50 40 GGGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 36220749 IEKKMGRSMWFOAP-LPYMAVHISA-N 391.383 3.497 50 40 GGGB CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 4545339 WGVJJMCOFSUGJR-GIJQJNRQSA-N 392.209 3.406 50 40 GGGB C/C(=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 811440 BZTWKYCJAIHRDZ-KQWNVCNZSA-N 389.411 3.371 50 40 GGGB CCOC(=O)Cn1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c2ccccc21 100386248 XZPDPWNNEDERAU-ZOFSPUIKSA-N 381.476 3.481 50 40 GGGB Cc1nc(C)c(CCC(=O)NN(Cc2ccccc2)Cc2ccccc2)c(=O)[nH]1 32842911 RGSTVWLFQAXVBB-UHFFFAOYSA-N 390.487 3.053 50 40 GGGB CN(C)c1ccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1[N+](=O)[O-] 33400227 ZSQQXDOOQORDFO-GDNBJRDFSA-N 399.414 3.365 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1 59516290 UAOZMERJAOPYPC-CIAFOILYSA-N 387.823 3.002 50 40 GGGB COc1ccc(CSCC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)cc1 59473436 VHJOUCMPVROREG-KGENOOAVSA-N 386.473 3.240 50 40 GGGB C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)c1cccs1 9514448 WWXSPTHNGXZPST-AWEZNQCLSA-N 394.452 3.208 50 40 GGGB Cc1cc(C)n(CC(=O)N/N=C2/CCCOc3c2ccc(Cl)c3Cl)n1 84102140 DPCQDCGJJHEWJM-ZHZULCJRSA-N 381.263 3.500 50 40 GGGB COC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21 409202423 RYXSZBBUHKAUBO-NTEUORMPSA-N 379.441 3.099 50 40 GGGB N#C/C(C(=O)CCN1C(=O)c2ccccc2C1=O)=C1\Nc2ccccc2S1 100969718 YASIEXSOPIMTMK-JXAWBTAJSA-N 375.409 3.195 50 40 GGGB CN(C)c1nc(N)nc(/C(C#N)=C/c2ccc(-c3nc4ccccc4s3)o2)n1 11298211 XWRPMVRFNVSDBA-PKNBQFBNSA-N 389.444 3.454 50 40 GGGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cnn(-c2cccc(C)c2)c1C 12868015 PEZTVBLZNGEBPQ-UHFFFAOYSA-N 398.850 3.226 50 40 GGGB COc1ccc(CCC(=O)NNC(=O)c2ccc(C)cc2)cc1Br 12905922 LFUQMQUAEQMPLW-UHFFFAOYSA-N 391.265 3.160 50 40 GGGB CCOP(=O)(C[C@H]1N(c2ccc(C)cc2)C(N)=C(C#N)C1(C#N)C#N)OCC 15084180 HZNKURLHQAVWIT-QGZVFWFLSA-N 399.391 3.177 50 40 GGGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)[C@H](C#N)C12CCCCC2 35682043 VWLIFINJKCGPOS-HNNXBMFYSA-N 380.473 3.314 50 40 GGGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc([N+](=O)[O-])ccc1O 36009221 DWOTVQCRBABADR-WSVATBPTSA-N 384.175 3.136 50 40 GGGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc([N+](=O)[O-])c1O 3150187 GZVWTKRGHCQQTF-LPYMAVHISA-N 391.383 3.497 50 40 GGGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 107957080 ULAWIJXXNZJKQY-WYMPLXKRSA-N 393.365 3.429 50 40 GGGB Cc1cccc(OCCCC(=O)NNC(=O)c2ccccc2-n2cccc2)c1 9220621 RVPCZKGXUUZGEB-UHFFFAOYSA-N 377.444 3.406 50 40 GGGB COc1ccc(CC(=O)N/N=C(/c2ccccc2)c2ccncc2)cc1OC 18192329 UKAXTHODPSDGRU-LVWGJNHUSA-N 375.428 3.210 50 40 GGGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 3096340 SNYOBAYRLOIYQV-KEBDBYFISA-N 380.231 3.481 50 40 GGGB CN1C(=O)/C(=N\NC(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc21 4695842 CIJVGBMMRNCHTH-FLFQWRMESA-N 385.423 3.376 50 40 GGGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)c1 408966208 KKYGNGVTMDRCCA-ZVHZXABRSA-N 390.443 3.430 50 40 GGGB COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br 8578559 SLVZCCAZHUWUNK-UHFFFAOYSA-N 394.294 3.018 50 40 GGGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(F)cc1 408973178 ZXJJZTBLKNHBKP-NZYROCMPSA-N 399.466 3.194 50 40 GGGB COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SC(C#N)=C(N)N21 408603267 FJNQISHPFWIXJP-INIZCTEOSA-N 384.461 3.032 50 40 GGGB C[C@]12C[C@@H](Br)[C@H](O)C[C@@]1(C)C2(Br)Br 45028167 UNNVKMAHOLSSIG-OOJXKGFFSA-N 376.914 3.417 50 40 GGGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(I)c1 705795 WYQHPCLLFNMGER-CQSZACIVSA-N 392.196 3.106 50 40 GGGB C/C(=N/NC(=O)CNC(=O)c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 4808998 HXZGYHFHLCANKQ-YVNNLAQVSA-N 382.222 3.403 50 40 GGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c1 58883496 JEQDENSPTBZTII-LPYMAVHISA-N 383.448 3.090 50 40 GGGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1 59503023 WJOIGGHMHKZHAB-HZHRSRAPSA-N 379.460 3.150 50 40 GGGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1cccc(C(=O)O)c1 408992608 APOOUMISJYVOJV-UCQKPKSFSA-N 375.428 3.485 50 40 GGGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 4671843 OSHQFYBKTKAGRO-XQNSMLJCSA-N 389.411 3.371 50 40 GGGB Cc1cccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccccc43)C3=C2CCCC3=O)c1 4944737 MVHYLDGKPGSQGX-DEOSSOPVSA-N 396.450 3.406 50 40 GGGB COc1cc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)O)ccc1OC(F)F 12504724 LZCDRPIXZTWOOM-GHXNOFRVSA-N 388.330 3.065 50 40 GGGB O=C(O)c1cccc(NS(=O)(=O)c2ccc(CCBr)cc2)c1 41091681 OMOFOUCQSMRJOT-UHFFFAOYSA-N 384.251 3.123 50 40 GGGB Cc1ccc2c(c1)/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N2C 100869960 WQDZWOUFYJTIGA-OQKWZONESA-N 392.242 3.178 50 40 GGGB CC(C)N1CC=C2[C@H](C1)[C@@H](c1ccccc1Cl)C(N)=C(C#N)C2(C#N)C#N 998374 ZEGQZSZKEBETKS-HNAYVOBHSA-N 377.879 3.474 50 40 GGGB Cc1cccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)n1 12920868 KAXFLUOJCSDXFI-UHFFFAOYSA-N 382.247 3.317 50 40 GGGB CCOc1cc(/C=N\NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)ccc1O 28616230 XMBSSIUZALZIQE-BRTCBXNNSA-N 398.459 3.379 50 40 GGGB CC(C)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 59483781 LDPTYTCLZXUAQY-FSJBWODESA-N 387.867 3.141 50 40 GGGB COC(=O)COc1cccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c1 408830513 NMJWRHTXYXMAGN-VRCTWVPOSA-N 386.473 3.010 50 40 GGGB O=C(N/N=C/c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 409004394 CJLSUHDRNFEXPL-YDZHTSKRSA-N 387.842 3.482 50 40 GGGB Cc1ccc(C)c(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c1 409365230 QJAQSDLJJATXEZ-AWQFTUOYSA-N 389.249 3.487 50 40 GGGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1cccc(Br)c1 4713804 KIHPYMPRZGKUES-UHFFFAOYSA-N 399.244 3.442 50 40 GGGB COc1cccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c1 12545154 TYVKQIZBGKCQDI-NBVRZTHBSA-N 387.443 3.177 50 40 GGGB C/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-c2ccccc2)cc1 6790753 LQVACOJZOAILDZ-LFVJCYFKSA-N 382.427 3.483 50 40 GGGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccnc1 105054254 WQEDRJYENGFLIZ-WSDLNYQXSA-N 376.372 3.333 50 40 GGGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 16758784 QLWIEDTVYPEOJG-URTGMZOISA-N 383.860 3.252 50 40 GGGB C=CCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 409262595 IBUQYYLFCBWKHO-ANRKENSESA-N 391.471 3.371 50 40 GGGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccco1)c1ccccc1 409223107 GTDRETITZZQNMO-NDENLUEZSA-N 379.328 3.171 50 40 GGGB COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1[N+](=O)[O-] 408906363 IQXLTHRICNLKEH-NVMNQCDNSA-N 384.304 3.022 50 40 GGGB Cc1c(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 4808868 BFLVFWUEGQAKAT-VBKFSLOCSA-N 376.391 3.169 50 40 GGGB CC1(C)C(C#N)=C(SCC(=O)NC2(C#N)CCCCCC2)N=C(O)[C@H]1C#N 12775559 OMFPCFZSCBWWOG-CYBMUJFWSA-N 385.493 3.324 50 40 GGGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@@H]2CN(c3ccccc3)CC=C12 103401231 NQFIDFODDCAWRJ-NHCUHLMSSA-N 378.439 3.012 50 40 GGGB COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccccc1 830838 BMJOOCYFYHMZLV-VCOZGABYSA-N 390.439 3.458 50 40 GGGB CCCOc1ccc(C(=O)N/N=C/c2cccc(OCC(=O)OCC)c2)cc1 20197878 DFJJJECXUCQYDG-HYARGMPZSA-N 384.432 3.181 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccccc1 59959807 KGSAYYFGCGVLKY-SYXCRGJESA-N 388.471 3.422 50 40 GGGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1F 58914537 VHLGIDRGKFXTMS-NHDPSOOVSA-N 396.334 3.083 50 40 GGGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccccc1Br 408889114 DTEIMZGLSZEINE-RIYZIHGNSA-N 387.233 3.429 50 40 GGGB Cc1ccc(C(=O)NCC(=O)N/N=C/c2cn(C(C)C)c3ccccc23)cc1 409164319 GRHSFHNLOQBUQU-WYMPLXKRSA-N 376.460 3.411 50 40 GGGB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1 6161446 LFZLZOTUQNEFPY-ZVBGSRNCSA-N 391.309 3.114 50 40 GGGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cc4cc(F)ccc4[nH]3)ccc21 32755223 PITKOWLQBZKOLB-UHFFFAOYSA-N 379.395 3.060 50 40 GGGB COC(=O)c1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 102790685 OACCIEVYWKTSBR-LFIBNONCSA-N 376.821 3.377 50 40 GGGB CCn1c(C)cc2c(c1=O)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 2430536 QSOZMIWHWQLYHP-HNNXBMFYSA-N 386.249 3.157 50 40 GGGB CC[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O 4295410 RILKQBAOQOJBFI-DAMBIUFKSA-N 385.420 3.329 50 40 GGGB COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 16953395 QUKAMGVIWHFVMN-UHFFFAOYSA-N 394.822 3.234 50 40 GGGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCC 34863663 MBBOETXZPZYNCS-BOPFTXTBSA-N 390.395 3.341 50 40 GGGB COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1O 5512366 IFIXICWQFFKWJO-YBFXNURJSA-N 377.238 3.246 50 40 GGGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccccc1O 1051481 JFKZTGDZVJGNID-QGMBQPNBSA-N 383.629 3.337 50 40 GGGB Cc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)cc1C 6199547 RWELNNVIRMPKHH-WSDLNYQXSA-N 378.432 3.032 50 40 GGGB COc1ccccc1OCC(=O)NNC(=O)N(C)[C@H](C)c1cc2ccccc2o1 40067873 KLKJIHKWPARNKS-CQSZACIVSA-N 397.431 3.254 50 40 GGGB O=C(N/N=C\c1c(F)cccc1Cl)C(=O)Nc1ccccc1Br 59444772 MCEQQSJGZLWCBZ-UWVJOHFNSA-N 398.619 3.330 50 40 GGGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)OCCO1 59463235 BZKOJTKOGIXVAN-VXLYETTFSA-N 393.783 3.111 50 40 GGGB CN1/C(=C(\C#N)C(=O)COc2ccc(Cl)cc2C(N)=O)Sc2ccccc21 102668630 TZKSMKBQIXNSTG-UYRXBGFRSA-N 399.859 3.364 50 40 GGGB CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2ccc(Cl)cc2)cc1 1633125 QCEQRDCZBULHAX-HZPDHXFCSA-N 392.242 3.134 50 40 GGGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)CC(=O)NCC(C)C)c1C 58913941 POKYJIAREKGINV-CFRMEGHHSA-N 382.508 3.323 50 40 GGGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccccc1 408774340 CCUWUBUGWSLRDT-LTGZKZEYSA-N 387.505 3.116 50 40 GGGB O=C(CCn1ccc2ccccc21)NNC(=O)c1ccc(Br)s1 8024744 HRYCDAXKMQHDPB-UHFFFAOYSA-N 392.278 3.317 50 40 GGGB CC1=C(C)C[C@H](C(=O)NNC(=O)c2csc3c2CC[C@@H](C)C3)[C@@H](C(=O)O)C1 6201389 IXOXXWRWIWPKDB-ONERCXAPSA-N 390.505 3.081 50 40 GGGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(OC)cc2nc1Cl 1223586 LWFVLGFFCNJJLP-INIZCTEOSA-N 385.807 3.151 50 40 GGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1OC 108053330 GMNZBNCXTMLLOE-WSDLNYQXSA-N 399.834 3.083 50 40 GGGB CC[C@H]1CCc2sc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc2C1 9376541 DDHBCVVREJPCIQ-ZDUSSCGKSA-N 396.516 3.153 50 40 GGGB O=C(CSc1nc2ccccc2o1)NNC(=O)Cc1ccc2ccccc2c1 8349911 DKNKRDBMEJWOMZ-UHFFFAOYSA-N 391.452 3.463 50 40 GGGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](O)c3ccccc3)c2C)cc1 408592042 XFRUHKHRZPXBAB-KURUZVKSSA-N 377.444 3.286 50 40 GGGB C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 408834359 YBHQZLDVRXYRBK-VXLYETTFSA-N 375.768 3.173 50 40 GGGB Cc1cccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)c(C#N)c2C)c1 409051181 BMRPKTZJRQOQMK-MXAYSNPKSA-N 399.454 3.102 50 40 GGGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(C)cc3)C2=O)cc1 1887506 BQSLXXLEUMIEQY-QUWSGOTNSA-N 377.469 3.215 50 40 GGGB COc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)ccc1OCc1ccccc1 21642520 RBLZOSHEYMVFHV-UHFFFAOYSA-N 390.468 3.492 50 40 GGGB O=C(Cc1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 23382917 ZVGABOYPBXTZTO-LFVJCYFKSA-N 393.487 3.207 50 40 GGGB O=C(N/N=C/c1cccc2ccccc12)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 2942872 YTOZJVVCQPPNFS-ZRWQFTNJSA-N 375.403 3.482 50 40 GGGB N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@@H]1c1ccc(F)cc1 409324898 WDNKBYMMVCSXNN-QGZVFWFLSA-N 395.459 3.214 50 40 GGGB COc1ccc(/C=C/C(=O)N/N=C/c2cc3cc(OC)ccc3nc2O)cc1 409059038 OKWPYBUULZVKEU-LTDHFCHZSA-N 377.400 3.121 50 40 GGGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1OC 409314401 FZTVAKYHUYTQSD-HAHDFKILSA-N 396.443 3.269 50 40 GGGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1O[C@H](C)C(=O)O 409014350 OYAIQQVMOLGZCB-KWZJRMENSA-N 380.400 3.401 50 40 GGGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OCC 408769242 PQFHQDDGAMBUFE-ZSOIEALJSA-N 391.265 3.291 50 40 GGGB COc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)c(OC)c1OC 5513375 XHUFRTSVMPFUNI-YDZHTSKRSA-N 394.427 3.395 50 40 GGGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2277517 KWEIREZCXWUGOR-FMIVXFBMSA-N 396.428 3.180 50 40 GGGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc[nH]3)c2)c(C)c1 3240694 FEUADHAAKMMPEB-LPYMAVHISA-N 396.472 3.196 50 40 GGGB C#CCOc1c(/C=N/NC(=O)OC(C)(C)C)cc(Br)cc1OC 408810401 IWHFPAALEXTNJR-VCHYOVAHSA-N 383.242 3.328 50 40 GGGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc([N+](=O)[O-])o2)c(Br)c1 20100983 WUSFYFAGYHQUGV-IDUWFGFVSA-N 396.197 3.096 50 40 GGGB CC(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 59399004 GCECSHQZYVAOOT-AWQFTUOYSA-N 381.215 3.448 50 40 GGGB N#CCC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 4513359 OCRVCPWGFMYYLA-SSDVNMTOSA-N 397.232 3.264 50 40 GGGB Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 8474857 SKLGBYSSACJLKX-DPRAMHIHSA-N 384.657 3.158 50 40 GGGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccccc1C(=O)O 409002195 YWOGPXGPDNYHFN-UCQKPKSFSA-N 375.428 3.485 50 40 GGGB O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 7404904 PGUDEYNVPHWHCZ-UHFFFAOYSA-N 379.652 3.270 50 40 GGGB CC(=O)Oc1ccc2ccccc2c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 704470 YMEUPFDIJKRCFP-CIAFOILYSA-N 377.356 3.437 50 40 GGGB COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(=O)c1ccccc1 3192701 JJMBETBYWZDTQC-OEAKJJBVSA-N 375.384 3.073 50 40 GGGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(F)c2)c(OC)c1 2889831 ZWAMXXMSKWSBQZ-MHWRWJLKSA-N 380.375 3.263 50 40 GGGB O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccccc1Br 4862852 OGUQFKULXYNXNG-UHFFFAOYSA-N 377.160 3.253 50 40 GGGB C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccccc3Cl)cc2C1 6316153 XEXOXHMISRUZAW-SNVBAGLBSA-N 384.910 3.150 50 40 GGGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 7403182 SZOMTLAHPLYQOU-NSHDSACASA-N 378.519 3.113 50 40 GGGB COc1ccc(OCCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1 15985737 HMGWIHORMSBYTI-UHFFFAOYSA-N 383.231 3.232 50 40 GGGB Cn1cc(C(=O)NNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 7907372 OSESNMVJGCZEEB-UHFFFAOYSA-N 385.489 3.099 50 40 GGGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Cl)c1OCC(=O)O 408954980 NZTLKTPWPTUJCR-UXDJXEOESA-N 394.855 3.088 50 40 GGGB O=C(COC(=O)c1cc2c(s1)CCCCCC2)NNC(=O)c1ccccc1 5302140 FAJPCBDOCRVETB-UHFFFAOYSA-N 386.473 3.025 50 40 GGGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(C)cc1 33745544 IWIKOSUHIBIBDP-QUWSGOTNSA-N 395.459 3.306 50 40 GGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccco2)cc1 1021084 SQKSAYDZTSDOFW-LPYMAVHISA-N 391.383 3.221 50 40 GGGB O=C(CBr)Nc1ccc(Br)cc1C(=O)c1ccccn1 1995228 UVLXUZHEDUOEQB-UHFFFAOYSA-N 398.054 3.409 50 40 GGGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(OC)c2)c1 2855243 YXHYQZHYZKZKRS-OQLLNIDSSA-N 396.399 3.103 50 40 GGGB C[C@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O 5576463 ILWZOZIUBKAEMX-DCKJRJMFSA-N 395.459 3.388 50 40 GGGB COc1ccc(SCC(=O)NNC(=O)c2ccccc2Br)cc1 7125405 MJRSVWDIOUFHHK-UHFFFAOYSA-N 395.278 3.011 50 40 GGGB O=C(Cc1cccc2ccccc12)NNS(=O)(=O)c1ccc(Cl)cc1F 13006824 GMABDMCWSDTRPP-UHFFFAOYSA-N 392.839 3.185 50 40 GGGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3[nH]2)cc1 28349797 ZWETVBBLJIZOQQ-UUYOSTAYSA-N 382.445 3.121 50 40 GGGB C[C@H]1CCCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 58428517 ZEOZNLXOKCGHDQ-INIZCTEOSA-N 380.492 3.306 50 40 GGGB Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)Cc3ccccc3)cc2)cc1 408838261 CZUGWCVIDHOFCN-UHFFFAOYSA-N 387.439 3.251 50 40 GGGB Cc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)c(C)n1-c1ccc(F)cc1 408971226 HPMHPSPZNNQNKB-OEAKJJBVSA-N 384.455 3.086 50 40 GGGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 409095892 BPTBJMQHTNRCOB-CAOOACKPSA-N 394.796 3.399 50 40 GGGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccc(Cl)cc1 13552156 IJRNYZDEWZHRST-RGVLZGJSSA-N 399.863 3.137 50 40 GGGB N#Cc1ccc(C(=O)OCC(=O)NN=C(c2ccccc2)c2ccccc2)cc1 7979915 WQJHZXFTLGDVER-UHFFFAOYSA-N 383.407 3.284 50 40 GGGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1Oc1ccc([N+](=O)[O-])cn1 409368155 NPXHMFBCXNXBJW-XNTDXEJSSA-N 394.387 3.320 50 40 GGGB Cc1cccc(C(=O)N[C@H](C(=O)N/N=C\c2c[nH]c3ccccc23)C(C)C)c1 72336328 QESKLXLAFOUKNZ-PMIGXTIBSA-N 376.460 3.381 50 40 GGGB CCOc1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 5718667 BZMUZUZEYNLYCP-DJKKODMXSA-N 391.221 3.340 50 40 GGGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OC 6246865 FDWFSFHOSMLMRL-LPYMAVHISA-N 393.399 3.313 50 40 GGGB COc1ccc2c(C)cc(SCC(=O)NNC(=O)c3ccc(F)cc3)nc2c1 2621064 MFPZZDHUZVYMKM-UHFFFAOYSA-N 399.447 3.244 50 40 GGGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc(OC)c1OC 670329 UPEOSXJJSVDTPV-WSDLNYQXSA-N 380.400 3.335 50 40 GGGB N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1ccc(F)cc1 846331 MAMGONQJKASILI-OAHLLOKOSA-N 377.335 3.342 50 40 GGGB CC(=O)Nc1cccc(C(=O)OCC(=O)/C(C#N)=C2/Nc3ccccc3S2)c1 6456858 RRCOQWLPZUOILD-CYVLTUHYSA-N 393.424 3.324 50 40 GGGB Cc1cc(C(=O)NNC(=O)CNC(c2ccccc2)c2ccccc2)c(C)o1 12940851 BPKMDISXMZBDCS-UHFFFAOYSA-N 377.444 3.037 50 40 GGGB CCc1nn2c(/C=N/NC(=O)c3ccncc3)c(-c3ccccc3)nc2s1 41078032 PJQPKFVDQWSTIO-CIAFOILYSA-N 376.445 3.179 50 40 GGGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc(OC)c1OCC(=O)O 59247837 PAKSMBSXAVWFCF-BOPFTXTBSA-N 398.459 3.243 50 40 GGGB O=C(N/N=C\c1ccc(Br)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 59418926 CEDQTIQVQXEMHM-PXNMLYILSA-N 393.153 3.029 50 40 GGGB Cc1cccc(C(=O)N[C@@H](C(=O)N/N=C\c2c[nH]c3ccccc23)C(C)C)c1 72336329 QESKLXLAFOUKNZ-GEUHTFEZSA-N 376.460 3.381 50 40 GGGB C/C(CC(=O)Nc1ccc(Br)cc1F)=N\NC(=O)c1cccnc1 101506143 AHLSJSCIUJXDMY-UFFVCSGVSA-N 393.216 3.118 50 40 GGGB