smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1 903680 XCDHFGACEZIYHU-DJKKODMXSA-N 397.725 4.486 50 40 GIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 4502731 ISHADOXRADWSES-AINDZBIGSA-N 377.853 4.020 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 58657517 PVQKTTNWABQBRA-UDWIEESQSA-N 383.498 4.104 50 40 GIGB COc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3ccccc3)c2C)c1 223169604 RJAKTCCGZONEJK-JCMHNJIXSA-N 399.494 4.369 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)cc1Cl 408735093 NTRZUCCBAQRMGJ-CYEGBWLXSA-N 397.906 4.258 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCc1ccccc1 408802936 JJDBITNZWWLRDK-UOBPLZBXSA-N 378.472 4.486 50 40 GIGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2cccc3ccccc23)CC1 409004182 AXJPVHJBYPNZTD-YZSQISJMSA-N 399.494 4.151 50 40 GIGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1 4922818 KQDAIMKUBOCDHD-IBGZPJMESA-N 391.496 4.305 50 40 GIGB O=C(/C=C/c1ccc(OC(F)F)cc1)NNc1c(F)c(F)c(F)c(F)c1F 15975670 OTYPXUWAQDHRFY-ZZXKWVIFSA-N 394.246 4.140 50 40 GIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101139697 BLXXTRWEWXRELK-RIYZIHGNSA-N 387.222 4.475 50 40 GIGB N#CC(C#N)=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 408863511 NBUNDPXUIJHSEV-UHFFFAOYSA-N 383.201 4.157 50 40 GIGB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N/N=C/c3cnn(C)c3C)cc12 1005659 VTSDLSNZXFXSKN-DHRITJCHSA-N 399.498 4.112 50 40 GIGB Cc1ccc(C(=O)NNC(=O)CSc2cc(C)c3ccc(C)c(C)c3n2)cc1 4126849 GQGNETQGDCJPBK-UHFFFAOYSA-N 393.512 4.022 50 40 GIGB N#CC1=C(N)Oc2n[nH]c(C34CC5CC(CC(C5)C3)C4)c2[C@@H]1c1ccccc1F 4631705 WJFXLUWRVLUNTA-LNKMMKDDSA-N 390.462 4.235 50 40 GIGB C[C@H]1CCC/C(=N\NC(=O)c2ccc(C(=O)N/N=C3\CCC[C@H](C)C3)cc2)C1 5920716 PUFVVOOSLVBTEE-PSEZIEAVSA-N 382.508 4.278 50 40 GIGB N#C/C(=C/c1cc(Br)ccc1O)C(=O)Nc1ccc(Cl)cc1 408754129 LYWVLCDKWQEZCZ-XFFZJAGNSA-N 377.625 4.354 50 40 GIGB CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C)OCO2 409104456 IWJBAWJPYBYESS-VGOFMYFVSA-N 384.819 4.322 50 40 GIGB CC[C@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1c[nH]c2ccccc12 695830 ADMRBRCHIBRLCY-QQZPLFJDSA-N 399.292 4.271 50 40 GIGB CC[C@@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1c[nH]c2ccccc12 695832 ADMRBRCHIBRLCY-ORWNMUSCSA-N 399.292 4.271 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccc(Cl)c(Cl)c2)cc1 2754562 HUDJGWDRWXOORD-FSJBWODESA-N 393.318 4.402 50 40 GIGB CCc1ccc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1 4922908 KHGLXEIEMQBFOQ-LJQANCHMSA-N 375.497 4.468 50 40 GIGB aggregator CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 5456768 MLPJLPCDAOHGAL-SFHVURJKSA-N 390.418 4.223 50 40 GIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1OC 5745568 KYDYFDMADLAOBJ-YDZHTSKRSA-N 398.846 4.310 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC 7159269 VCYSALRXSJJJPJ-GZTJUZNOSA-N 394.858 4.469 50 40 GIGB C=CCN1C(=O)/C(=N/NC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 13576895 SQMGGZLBSLTPBT-YYDJUVGSSA-N 381.435 4.020 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(CC#N)c2ccccc12 33733712 GKZICWLNOKFJDT-AFUMVMLFSA-N 382.423 4.091 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)cc1C(=O)O 59104812 BIBXHKSSEIDXAL-SSDVNMTOSA-N 382.803 4.371 50 40 GIGB CCOc1ccc(C(=O)c2c(NC(=O)CCl)sc3c2CCCC3)cc1 62720722 JOTORJQPJGHHBA-UHFFFAOYSA-N 377.893 4.434 50 40 GIGB CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)c1ccc(Br)cc1 408602990 PLVKVFLMJQNLKA-HMHKGCENSA-N 375.266 4.390 50 40 GIGB C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1cccs1 408828566 HVMYQGBOOFLIRF-GZTJUZNOSA-N 383.336 4.284 50 40 GIGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 4953708 UIQWVBRCXUWFHU-YRNVUSSQSA-N 390.168 4.042 50 40 GIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccccc3C)o2)ccc1Cl 9200998 HCBZRTNHFNUNNY-FSJBWODESA-N 396.830 4.459 50 40 GIGB Cc1cccc(N2CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N3C2)c1 4922755 JFINWDKRHWDVPV-KRWDZBQOSA-N 379.460 4.354 50 40 GIGB COc1cc(-c2nc3cc(NC(=O)CCl)cc(C)c3o2)cc(OC)c1OC 226327958 XALOGMHKJWJULN-UHFFFAOYSA-N 390.823 4.006 50 40 GIGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(-c2cccnc2)on1 40128287 DIKKNLOAICVAOJ-UHFFFAOYSA-N 383.622 4.454 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)ccc1O 731236 IIANEMCLPWPNDV-ZVHZXABRSA-N 390.439 4.052 50 40 GIGB Cc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1N1CCCC1 818654 NLIZGWOOUQBPAD-HXUWFJFHSA-N 377.488 4.046 50 40 GIGB O=C(N/N=C/c1cccc(Cl)c1Cl)C(O)(c1ccccc1)c1ccccc1 1057094 MPWPMMNKVRTVER-ZVHZXABRSA-N 399.277 4.380 50 40 GIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)C(O)(c1ccccc1)c1ccccc1 3217485 ROVAYZJTHOPPNL-CVKSISIWSA-N 398.384 4.092 50 40 GIGB COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccccc1F 8113922 UAFJCYIOJDNBKH-YDZHTSKRSA-N 398.459 4.168 50 40 GIGB O=C(CSCc1cccc(Br)c1)N/N=C/c1cccc(Cl)c1 20248609 YBYHFAKQMWMOOG-DJKKODMXSA-N 397.725 4.486 50 40 GIGB C/C(=N\OCC(=O)N/N=C/C1=C(c2ccccc2)[C@H]2C=C[C@H]1C2)c1ccc(C)cc1 100569987 HTWONDJZUPGHOK-FFRHHWFRSA-N 399.494 4.497 50 40 GIGB CCOC(=O)[C@H](CC(C)C)/N=C\c1ccc(N(CCCl)CCCl)cc1 104045500 LOSLRIVGRKZIFT-GFHXCNCHSA-N 387.351 4.367 50 40 GIGB OC[C@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104086734 QXBSUSIMWPQJKH-AREMUKBSSA-N 384.459 4.446 50 40 GIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 408961776 DYMXMMDVKBFLII-LNOXHEFASA-N 381.388 4.282 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\C=C\c3ccc(N(C)C)cc3)cc2c1 409187941 VWDKRIVLPWIXIR-QNIGGNBHSA-N 377.444 4.327 50 40 GIGB Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1ccccc1Cl 3083931 QSEKHCFHIHITRU-SRZZPIQSSA-N 378.259 4.171 50 40 GIGB O=C(Cc1ccc(Cl)cc1)N/N=C(\C(=O)c1ccccc1)c1ccccc1 3088646 ZXBRGRFZTAUJPV-DAFNUICNSA-N 376.843 4.286 50 40 GIGB COC(=O)N/N=C/c1cn(CCCOc2ccc(Cl)cc2)c2ccccc12 4820253 LOSAIFYXLBBWBE-LPYMAVHISA-N 385.851 4.454 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2ccc3ccccc3n2)cc1 5156707 QFPVZUGNRQBMRL-HZHRSRAPSA-N 392.528 4.323 50 40 GIGB Cc1cc(N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1 6238588 ZVBBDSNLEURMON-VBKFSLOCSA-N 383.860 4.447 50 40 GIGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC 6596370 GZTSEYFPEPFRSL-VTGBELTLSA-N 378.831 4.429 50 40 GIGB N#CC1=C(SCc2ccccc2)NC(=O)[C@H](C#N)[C@H]1c1ccccc1Cl 9358354 HXZYZFWYIHGJJH-CRAIPNDOSA-N 379.872 4.362 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408774436 WYYCNGNKLVSDJV-NVNXTCNLSA-N 386.839 4.087 50 40 GIGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccccc1C(=O)O 409132253 XCAOKOFIAIDCEV-DNTJNYDQSA-N 397.283 4.075 50 40 GIGB Cc1ccc(COc2ccccc2/C=N\NC(=O)Cc2ccc(F)cc2)cc1 409229748 UOQUWDQEBKETMA-MYYYXRDXSA-N 376.431 4.406 50 40 GIGB CCOc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1O 409363325 LFTVMDGFVYSBFA-ZSOIEALJSA-N 391.208 4.460 50 40 GIGB Cc1n[nH]c2c1[C@H](c1cccc(OCc3ccc(Cl)cc3)c1)C(C#N)=C(N)O2 622952 DCHBMMCUYPTUKP-LJQANCHMSA-N 392.846 4.169 50 40 GIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 885644 YARMGMQZIBTUFM-HMMYKYKNSA-N 386.499 4.280 50 40 GIGB CCCCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCC)cc1OC 4670371 MDBBBNSCZVQLKP-NTEUORMPSA-N 395.297 4.070 50 40 GIGB CCN(CC)c1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 18102942 DYNVBDYPFJJYPK-XMHGGMMESA-N 389.908 4.437 50 40 GIGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCC(=O)O 409065662 KCPMLLLUPOPRTO-MHWRWJLKSA-N 390.395 4.092 50 40 GIGB C[C@@H]1O[C@]1(C)C(=O)[C@H](Br)[C@H](Br)c1ccc(Cl)cc1 4837077 HMKVJMOQBUSHGB-ODDDBGHMSA-N 396.506 4.286 50 40 GIGB C[C@H](Cl)C(=O)NCCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8733039 XGBSJOCUJVFXAR-HIGJEIRPSA-N 388.939 4.227 50 40 GIGB O=C(Cl)[C@H]1CC(=O)N(c2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 57327085 YMQNSHIETHHYDE-NSHDSACASA-N 375.211 4.267 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 110532917 GYUVWSGVGVLXED-BQCWRKOGSA-N 399.487 4.149 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(Br)s1 5491481 XIGFXNFHZHYOML-CYBMUJFWSA-N 399.273 4.119 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1O 5769920 JFQZPLXFMQPJFT-QGMBQPNBSA-N 399.697 4.051 50 40 GIGB COc1cccc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)c1OC 2358513 NLDGQDRJYNVMJO-BUVRLJJBSA-N 390.439 4.047 50 40 GIGB CC(C)(C)NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(O)CCCC2=N1 100703296 KUFQCGPWVYGCAU-KRWDZBQOSA-N 385.489 4.197 50 40 GIGB COc1ccccc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 6452755 RKGFHDRBDVOWFL-IWIPYMOSSA-N 390.439 4.047 50 40 GIGB N#CC1=C(SCc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@H]1c1ccc(F)cc1 6495163 DTSIFYCGNMAQMU-INIZCTEOSA-N 383.404 4.006 50 40 GIGB Cn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21 107732770 JAJAENSCMXYLJQ-KEBDBYFISA-N 378.413 4.065 50 40 GIGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C(\c1ccccc1)c1ccccn1 652403 FDFRPIQKFHQONO-VRCPTZKISA-N 393.874 4.380 50 40 GIGB Cn1ccnc1Sc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1[N+](=O)[O-] 13527784 JANAEBFBMQHPFH-LFIBNONCSA-N 390.424 4.269 50 40 GIGB N#C/C(=C\c1cc(Br)c(Br)o1)C(=O)Nc1ccccc1 4513124 WKOTYXDATCVXPJ-RMKNXTFCSA-N 396.038 4.350 50 40 GIGB CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)c1cccc(Br)c1 408601977 MOYJNBZWRYXDPS-HMHKGCENSA-N 375.266 4.390 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)C(=O)NCc1ccccc1 408833803 VAKCQQBSEPARMG-MHWRWJLKSA-N 391.358 4.217 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(OC)c1OC 408810191 LQXZFJLXUFFLSS-RIYZIHGNSA-N 386.835 4.220 50 40 GIGB Cc1cc(I)ccc1NC(=O)/C(C#N)=C/c1ccccc1 942698 INISGOGHLUDMRI-GXDHUFHOSA-N 388.208 4.145 50 40 GIGB O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1 2140207 VIDJBOVUORGRHI-MFKUBSTISA-N 398.422 4.049 50 40 GIGB CCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCC)c(OC)c1 6324330 JYUIZSCLORBACG-XKZIYDEJSA-N 390.867 4.300 50 40 GIGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 6813922 INWHFRHZUUXASY-MRXNPFEDSA-N 397.887 4.051 50 40 GIGB CCOc1cc([C@H]2C(C#N)=C(N)Sc3n[nH]c(-c4ccco4)c32)ccc1OC 9324712 UYZCJCIOLHRAHR-INIZCTEOSA-N 394.456 4.008 50 40 GIGB C[S@](=O)Cc1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1 11768589 BWQLYGSNSGMJRP-HSZRJFAPSA-N 391.707 4.282 50 40 GIGB CC(C)[C@H](Br)C(=O)Nc1nc2ccc(Br)cc2s1 20133345 YSFSLHZPMZAEGX-JTQLQIEISA-N 392.116 4.417 50 40 GIGB COc1ccc2c3c(/c(=N/NC(=O)c4ccc(Cl)cc4)oc2c1)CCCC3 20426504 WAXBVCMASXIHCW-FLFQWRMESA-N 382.847 4.219 50 40 GIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(Cl)c1 408741967 TUXMBKVATXALAS-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1 408904133 FHNJWANIFKIOCP-UWVJOHFNSA-N 378.171 4.412 50 40 GIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(Br)cc2)cc1 409110163 STRLIGUBCKXQHD-OTGIAGGSSA-N 377.307 4.388 50 40 GIGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 985274 KVPKORLSMFVLNI-VGSWGCGISA-N 386.451 4.212 50 40 GIGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1O 2190120 VEHGDFUGKQJKHS-YDZHTSKRSA-N 380.831 4.389 50 40 GIGB CC/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccc2c(c1)OCCO2 4714602 XIRYIFMPYATAJX-JOJWKMGHSA-N 384.501 4.010 50 40 GIGB Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 28216298 HVRLZKAEHHAMAA-ZMOGYAJESA-N 379.435 4.071 50 40 GIGB CCN(CC)P(=O)(NC(=O)c1cn(CC)c2ccccc12)N(CC)CC 102132928 XTJKLADFAIVNNS-UHFFFAOYSA-N 378.457 4.183 50 40 GIGB Cc1ccc(COc2ccc(/C=N/NC(=O)CNc3ccc(C)cc3)cc2)cc1 408533493 SPBGBNCPRVAMEA-CVKSISIWSA-N 387.483 4.445 50 40 GIGB CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1 409065552 TWTJKWLTHIZXPZ-BUVRLJJBSA-N 391.427 4.062 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1Br 989036 ICDYLJGSMFDVTM-HNNXBMFYSA-N 393.244 4.057 50 40 GIGB CC(C)(C)c1ccc(C(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)cc1 4673280 SXMYKEKWSKYSFA-UHFFFAOYSA-N 379.888 4.408 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1 7156176 JEAOWDLUJMHPPB-AWNIVKPZSA-N 376.334 4.268 50 40 GIGB O=C(NNc1ccc(Cl)c(Cl)c1)c1ccc(OC[C@H]2CCCO2)cc1 12949987 KDOLIJSSXKYPHL-OAHLLOKOSA-N 381.259 4.308 50 40 GIGB O=C(CBr)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 35605441 RJVQBTWAPSVSED-UHFFFAOYSA-N 385.620 4.065 50 40 GIGB COc1ccc(Cl)cc1N1C=C(C#N)S(=O)(=O)c2ccc(Cl)cc21 48987447 OSXOOBMVOCDWLM-UHFFFAOYSA-N 381.240 4.292 50 40 GIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1 59473500 IDDJDYQLJANLPN-XQNSMLJCSA-N 383.517 4.035 50 40 GIGB COC(=O)CN1C=CC=C/C1=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1 257173760 WNUNETVPUZPYOD-BMRADRMJSA-N 383.860 4.257 50 40 GIGB N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)NCc1ccco1 409001235 VRQUSZJHKNTDEY-MDWZMJQESA-N 396.786 4.115 50 40 GIGB N#C/C(=C/c1ccc(N2CCCCC2)c(F)c1)C(=O)NCCCc1ccccc1 409233419 KIKZPURNMMQVDD-PGMHBOJBSA-N 391.490 4.472 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1cccc(C)c1 688019 JVDSQCGTCBFURJ-MFKUBSTISA-N 389.455 4.132 50 40 GIGB O=C(N/N=C/C=C/c1ccccc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 4199286 OKDJSJGFJNHWBS-XGDAIVGXSA-N 395.462 4.273 50 40 GIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1 5879981 LXRCXKWLRVECJW-XDJHFCHBSA-N 398.418 4.460 50 40 GIGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C(N)=O)cc4)c3C)[nH]c2c1 33636624 RAXGABVFSJKVDI-UNOMPAQXSA-N 395.466 4.442 50 40 GIGB CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 96669439 GLVKKJRTXGQUTP-KHAFMBKQSA-N 393.399 4.383 50 40 GIGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1Cl 409327629 VHXPGUZQYGCBLJ-XKZIYDEJSA-N 390.867 4.300 50 40 GIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1cccc(CC)c1 959699 AEVKWOFURXBUGA-BUVRLJJBSA-N 376.456 4.330 50 40 GIGB CCOc1cc(C(=O)N/N=C/c2sccc2C)cc(OCC)c1OCC 6047748 VAQDJTPCAACYLS-UDWIEESQSA-N 376.478 4.017 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)[C@@H](C)Cl 14405201 RGNTWDSJAKNJNB-CYBMUJFWSA-N 396.878 4.307 50 40 GIGB Cc1c(Br)c(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccccc1 20243917 FOIJQGYFTIYOBB-WSDLNYQXSA-N 397.276 4.016 50 40 GIGB Cc1ccccc1CSCC(=O)N/N=C/c1ccccc1Br 58915540 YCRXHWDCLDXKKX-VXLYETTFSA-N 377.307 4.141 50 40 GIGB CCOc1ccc(-c2n[nH]c3c2[C@H](/C(C)=C/c2ccco2)C(C#N)=C(N)O3)cc1 4897872 ZJPXDMRSCRILEP-IYPOZPNPSA-N 388.427 4.342 50 40 GIGB C[C@@H](Cl)C(=O)NCCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8733040 XGBSJOCUJVFXAR-XSXQVXRUSA-N 388.939 4.227 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(C#N)cc1 681269 OYCTUVYELSMBSV-AFUMVMLFSA-N 382.423 4.476 50 40 GIGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(C)cc2)c(OC)c1 956467 IOFXLEQRMFIXEP-DHJSAQKKSA-N 391.423 4.093 50 40 GIGB Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1ccccc1F 28216205 MFWZIXZHOIMCDT-YDZHTSKRSA-N 381.476 4.476 50 40 GIGB COC(=O)c1ccc(NC(=O)[C@]23CC[C@](C)([C@H]2Br)C3(C)C)cc1 4185023 ZTGOHZQTJFQOJK-OLMNPRSZSA-N 380.282 4.002 50 40 GIGB O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc3ccccc3c2)cc1 409246425 IFMYMQBEXZANCT-BUVRLJJBSA-N 383.407 4.093 50 40 GIGB CCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1 32519956 XFYACDIAIJDAQV-FYJGNVAPSA-N 383.473 4.249 50 40 GIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 33652829 PZRGZHNSCFZXEV-ZVHZXABRSA-N 388.471 4.125 50 40 GIGB COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 985279 CJSYUNISXWSYQL-QKKBWIMNSA-N 390.414 4.043 50 40 GIGB O=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)c1ccccc1O 4827668 RFSIKCGDCMCMIG-YDZHTSKRSA-N 380.831 4.106 50 40 GIGB CCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)c3ccco3)cc2)cc1 5119712 YUOZOMHOBJCPTJ-XQNSMLJCSA-N 378.428 4.411 50 40 GIGB COc1cccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(F)cc2)C3)c1 408728341 JWNZKOVJCGTGER-MXAYSNPKSA-N 389.430 4.118 50 40 GIGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccco3)o2)ccc1Cl 409030495 FXADOSLSBAPCQY-SRZZPIQSSA-N 386.791 4.134 50 40 GIGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)N1CCN(c2ccccc2)CC1 59676514 AMHXTDVKTSJPDZ-LVZFUZTISA-N 397.478 4.104 50 40 GIGB COc1cc(/C=N\c2cccc(C(=O)O)c2)ccc1N(CCCl)CCCl 104080191 KCCBMSFXAKKYDO-XKZIYDEJSA-N 395.286 4.428 50 40 GIGB Cc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(C)C 9201840 DNSCFAWUHNXLJV-RGVLZGJSSA-N 375.266 4.309 50 40 GIGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccccc1O 59410732 ISQBGOJKEHTBCK-YDZHTSKRSA-N 380.831 4.389 50 40 GIGB O=C(CCCC[C@H]1CCSS1)NCc1cccc(NC(=O)C2CC2)c1 22699532 ISANNQLDEJXKPF-KRWDZBQOSA-N 378.563 4.365 50 40 GIGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Br)o1 994025 BBXFZARNLMLTEF-CIAFOILYSA-N 399.244 4.385 50 40 GIGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2cccc3ccccc23)c2ccccc21 409178271 FXOSBDMQENFVFS-AFUMVMLFSA-N 399.450 4.122 50 40 GIGB C[C@@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)cc1 5229451 MZKWYVIIVFQETC-RFRKOGIWSA-N 382.847 4.128 50 40 GIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 5883890 BWRQPOFBJSCAAL-SFHVURJKSA-N 390.418 4.223 50 40 GIGB C/C(=N\NC(=O)c1ccccc1Cl)c1ccc(I)cc1 408789074 IXHYSECRKSQUDA-VCHYOVAHSA-N 398.631 4.099 50 40 GIGB N#C/C(=C\c1cc(Br)cc(Cl)c1O)C(=O)NCc1ccccc1 408746727 GHNHBYSHQBXUCA-AWNIVKPZSA-N 391.652 4.031 50 40 GIGB Cn1c(/C(C#N)=C\c2ccc(I)cc2)nc2ccccc21 33934078 KPMBZEJANNKWJG-RAXLEYEMSA-N 385.208 4.242 50 40 GIGB COc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc4ccccc4c3)[nH]n2)cc1 6780359 BRQKGQBJYCRHEH-IWIPYMOSSA-N 384.439 4.393 50 40 GIGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1c2ccccc2cc2ccccc12 1100021 MOUMDXDTIVJNCA-AFUMVMLFSA-N 382.419 4.415 50 40 GIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 1435373 URPDRVYZIFZICC-UFFVCSGVSA-N 389.839 4.209 50 40 GIGB O=C(c1ccc(Cl)cc1)[C@H](Br)[C@@H](C[N+](=O)[O-])c1ccccc1 1687171 KEDVRSOJQOCNAM-LSDHHAIUSA-N 382.641 4.347 50 40 GIGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC 6603721 GZTSEYFPEPFRSL-JHAVZTMOSA-N 378.831 4.429 50 40 GIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1OCc1ccccc1 6860787 ISCNJYXLJAZTEG-MFKUBSTISA-N 388.467 4.412 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccnc3)c2C)cc1 8659830 AQEIGKRSMZCYIJ-UYRXBGFRSA-N 386.455 4.434 50 40 GIGB Cc1ccc(SCCOc2ccccc2/C=N\NC(=O)c2ccncc2)cc1 13582868 UNDWDOKGLYQEDT-JLPGSUDCSA-N 391.496 4.325 50 40 GIGB COc1cccc(-c2csc(/C(C#N)=C\c3ccc(O)c([N+](=O)[O-])c3)n2)c1 36047389 IQSLFMKIOQKWBF-AUWJEWJLSA-N 379.397 4.497 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(O)cc1 408798140 UYRHNPCTVLAEAG-SDNWHVSQSA-N 375.340 4.106 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC(=O)c1ccccc1 408893305 DQSRNVRXICTDKM-XMHGGMMESA-N 398.418 4.460 50 40 GIGB C=CCn1c(C)c(/C=N/NC(=O)CNc2ccc(Cl)cc2)c2ccccc21 409360318 DTOYBXSCLFUXDQ-ZMOGYAJESA-N 380.879 4.351 50 40 GIGB COc1ccc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1O 4815228 JAAMDAMDNJBJFB-AUWJEWJLSA-N 379.397 4.497 50 40 GIGB CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)N/N=C/c1ccccc1O 6625432 GODLWJWCTCMEJX-NLHWHEAJSA-N 390.487 4.329 50 40 GIGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1OCC 9046905 CMXIYKJQGOIUAL-KRWDZBQOSA-N 396.491 4.113 50 40 GIGB CCCC[C@H](CC)CNC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 32801783 OTDCKHYYUDYJMU-INIZCTEOSA-N 387.480 4.019 50 40 GIGB CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 408567471 NQAPBZGJDSWGJH-HZHRSRAPSA-N 397.475 4.374 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCc1ccccc1 17079267 DNHJXPHVZRZSDO-UNOMPAQXSA-N 388.423 4.091 50 40 GIGB CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C(CCCCCC2)[C@H]1c1ccccc1 35193583 ZGZJOPAXJHDUIP-NFBKMPQASA-N 375.472 4.244 50 40 GIGB Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)ccc1Br 44167163 WYUBVDLPPSSYJV-UHFFFAOYSA-N 393.237 4.187 50 40 GIGB C/C(=N\NC(=O)CCSc1ccccc1)c1ccc(Br)cc1 59473035 CATKACDPCXNIMK-CPNJWEJPSA-N 377.307 4.472 50 40 GIGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(N)=S 408542639 KFHUUXJXTBXVDN-QPEQYQDCSA-N 391.265 4.360 50 40 GIGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccs2)c1C 408591984 WWSXUTWYELWTTN-LPYMAVHISA-N 395.484 4.096 50 40 GIGB CCOc1cc(C(=O)N/N=C\c2ccc(O)cc2)ccc1OCc1ccccc1 409309790 MKNLWLVJGLMNMY-IWIPYMOSSA-N 390.439 4.134 50 40 GIGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 409365052 SHRWMRDAZJOSML-OEAKJJBVSA-N 391.427 4.418 50 40 GIGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(OC)c2)cc1OC 409377085 GEYUNOZEEZFRPS-AEOXGOBCSA-N 390.867 4.298 50 40 GIGB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(N(CCCl)CCCl)cc1 823406 XLPONWKZDMLPSZ-NBVRZTHBSA-N 389.282 4.315 50 40 GIGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2)c1C 1093067 KNWFFUPEMBVARW-ZVHZXABRSA-N 375.472 4.240 50 40 GIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCC(C)C 1462345 UTSJSBXWYADNIF-OAQYLSRUSA-N 380.444 4.044 50 40 GIGB Cc1oc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1Br 4502744 BYOXMQNVFAQRGF-BEAUZRKQSA-N 381.295 4.123 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccs1 4513483 XWGPAEYNYGKNRN-GIJQJNRQSA-N 375.793 4.334 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)NCc1cccs1 4679646 GNLNYVNITOKURG-UDWIEESQSA-N 399.475 4.422 50 40 GIGB C/C(CC(=O)Nc1cc(Cl)cc(Cl)c1)=N\NC(=O)c1ccc(C)cc1 4691384 YWGKNYIEDHGMGO-WSDLNYQXSA-N 378.259 4.436 50 40 GIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1Cl 4735222 WVFAPNFXISBDFI-DJKKODMXSA-N 386.076 4.449 50 40 GIGB Cc1cccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1 6316875 ZPJKGWYXNIEMQS-UHFFFAOYSA-N 389.293 4.130 50 40 GIGB CCc1cccc2c(/C=C(\C#N)c3nc(N)nc(Nc4ccccc4)n3)c[nH]c12 11296610 AZPQESOEJNMMTA-RVDMUPIBSA-N 381.443 4.305 50 40 GIGB Cc1cc(C(=O)/C(C#N)=C/c2cnn(C)c2)c(C)n1Cc1ccccc1Cl 21791432 BKYIDGPMDVIYAO-GIJQJNRQSA-N 378.863 4.330 50 40 GIGB CCCN(CCC)CC(=O)/C(C#N)=C1/NC(c2ccc(Cl)cc2)=CS1 58120997 XHGDAZGMBDYMGE-MNDPQUGUSA-N 375.925 4.401 50 40 GIGB O=C(CSCc1ccc2ccccc2c1)N/N=C/c1cccc([N+](=O)[O-])c1 408728213 WVKMMSXYAZCKKE-CIAFOILYSA-N 379.441 4.132 50 40 GIGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)n3nc(C)cc3C)o2)c([N+](=O)[O-])c1 409381452 GCTLLVFDKHUDIF-XNTDXEJSSA-N 376.372 4.224 50 40 GIGB CSc1ccc(Cl)c(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1 2658622 SITHGYFTDSWIOL-UHFFFAOYSA-N 399.859 4.061 50 40 GIGB CC(C)(C)[C@@H](Br)C(=O)NCCC(=O)Nc1cccc2ccccc12 8733122 YISMDHRCLNECQP-KRWDZBQOSA-N 391.309 4.094 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 13381969 ZMNTXIKBMKZFDD-JYRVWZFOSA-N 376.334 4.268 50 40 GIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 59473271 XEEUGDNRFNWGLN-AWQFTUOYSA-N 383.300 4.386 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)o1 408993195 CQASEYRSFOKOIX-RGVLZGJSSA-N 379.913 4.163 50 40 GIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cn(CC#N)c2ccccc12 409379120 UKDFBZQVIVMUNE-MFOYZWKCSA-N 376.423 4.173 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Br)cc1 6535392 UVLRQHIHDVGANC-RVDMUPIBSA-N 399.244 4.171 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)[C@H](C)Cl)cc1 14404918 NFNOFPIHLONTAY-ZDUSSCGKSA-N 396.878 4.307 50 40 GIGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 59335981 UGQHKBOIEBUDAI-LCYFTJDESA-N 375.211 4.326 50 40 GIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSCc2cccc(Cl)c2)c1 59473502 VQEYNLVGLNKXER-LPYMAVHISA-N 389.908 4.072 50 40 GIGB CN(C(=O)CCl)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918392 IMPPITSCOUNNJN-QNEXQYMPSA-N 381.988 4.456 50 40 GIGB COc1cc(OC)c(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Br 408542486 LTUARXXPJUKDBU-AUWJEWJLSA-N 388.217 4.229 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3[C@H]4CCCC[C@]43C)o2)cc1 408718887 SCKMAHLYTACQRU-PQFTXTSXSA-N 380.444 4.010 50 40 GIGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 408727671 VRPQSASHEWBTRN-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1OC 409131258 MWDAMQMJATYEKB-PXLXIMEGSA-N 384.501 4.201 50 40 GIGB Cc1ccc(COc2ccccc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 860571 WQYSOCFQVJJKMV-QFIPXVFZSA-N 386.451 4.389 50 40 GIGB CCCOc1ccc(/C=C/C(=O)Oc2cccc(/C=C(\C#N)C(=O)OC)c2)cc1 1791186 GLYBCOAKCXBKFW-GKZQGBICSA-N 391.423 4.174 50 40 GIGB CCCN(CCC)c1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1 3023218 KKARAMHALQHMGP-LFVJCYFKSA-N 381.520 4.459 50 40 GIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1 5698404 GMHYOXWXEOSBIM-UVTDQMKNSA-N 388.208 4.145 50 40 GIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 5883906 BWRQPOFBJSCAAL-GOSISDBHSA-N 390.418 4.223 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(OCC)c2)cc1 5953638 MHSMDJRBBOWOEN-ZROIWOOFSA-N 386.835 4.389 50 40 GIGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1ccc(Cl)cc1 58917029 ZJDQZEMMQKMPDK-YDZHTSKRSA-N 381.863 4.277 50 40 GIGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 408718308 RDISGVAJZLQBKZ-LPYMAVHISA-N 390.468 4.047 50 40 GIGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1 408934707 FWLZQZBAACLMAY-PTNGSMBKSA-N 381.229 4.007 50 40 GIGB COc1cc(C=C(C#N)C#N)ccc1OC(=O)c1ccc(Br)cc1 3177733 GFIPRPDNKSELDD-UHFFFAOYSA-N 383.201 4.107 50 40 GIGB O=C(COc1ccccc1)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 13590181 JQEPPDQIFYEFEY-NHDPSOOVSA-N 399.790 4.037 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1cccc(F)c1 59281437 CYEJGLVPPMLRAC-ZDLGFXPLSA-N 382.435 4.235 50 40 GIGB N#C/C(=C\Nc1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 101421531 SCKTYSWIQGHQEU-UKTHLTGXSA-N 398.227 4.152 50 40 GIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc2c(c1)[C@H](C)CC(C)(C)N2C 208203079 TVMJZTIOHRZICQ-HUSFYUSLSA-N 379.504 4.490 50 40 GIGB CCCOc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 1836632 UNTGFPMYGXNKLY-UWJYYQICSA-N 388.471 4.078 50 40 GIGB CCC[C@@H](C(=O)NNC(=O)CSc1nc2ccccc2s1)c1ccccc1 3374755 DCFPNEPNQYXJHA-OAHLLOKOSA-N 399.541 4.120 50 40 GIGB CCCNC(=O)N(NC(=O)c1ccc(C)cc1)c1nc(-c2ccccc2)cs1 3768086 OIWUXRNOLNNRCC-UHFFFAOYSA-N 394.500 4.390 50 40 GIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3OC(F)F)[C@H]2C1 4631523 SJBUAHRMBGWREN-HNJNHCNJSA-N 380.398 4.128 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1C[C@@H]1CCCO1 7654330 ZHRAREUSMXSFIP-KDMTZKAISA-N 383.879 4.483 50 40 GIGB CN(C(=O)CCl)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12656027 IMPPITSCOUNNJN-GWGFEFTLSA-N 381.988 4.456 50 40 GIGB biogenic Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C 28216296 GUDXTZJLSMTMKR-ZMOGYAJESA-N 379.435 4.071 50 40 GIGB N#CC1=C(/N=C(\S)NC(=O)c2ccc(F)c(F)c2)S[C@H]2CCCCC[C@@H]12 36612573 GPZRBEVZRYKEDC-NHYWBVRUSA-N 393.484 4.411 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(Cl)cc1 40889267 NDNAJDIYYWFZCR-YVLHZVERSA-N 384.863 4.359 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1cccc(C)c1 59334861 WYLJAIOGBXSYEL-BKUYFWCQSA-N 390.483 4.306 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1)[C@H]1Oc2ccccc2O[C@H]1c1ccccc1 95532830 OJVRXXVGKYLXKB-HOEWKMGESA-N 392.842 4.371 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 211204481 PBRPQHRGKHCVBZ-YBEGLDIGSA-N 380.831 4.215 50 40 GIGB CC[C@H](C)n1nc(C)c(Cl)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253404928 RNBXVRIPIGWMOT-BONVTDFDSA-N 388.899 4.267 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(C)cc1 408779575 YVUHDLSJTNYQQO-NDENLUEZSA-N 378.472 4.404 50 40 GIGB N#C[C@H](C(=O)N/N=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccccc1 409207287 RGDSEEMFRJUQIP-WGLQLPMYSA-N 387.414 4.162 50 40 GIGB N#C/C(=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc([N+](=O)[O-])cc1 409365393 ZIAILDGISYBHAP-WZUFQYTHSA-N 390.149 4.035 50 40 GIGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(OC)c1O 695184 ICEFORRNJVZCHJ-FSJBWODESA-N 390.395 4.073 50 40 GIGB COc1cccc(/C(C)=N/NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1 4867954 HFRBJWPFPXRHKW-JVWAILMASA-N 396.450 4.459 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)c1 408757195 VTLPTTWGUCCJIQ-LPYMAVHISA-N 376.416 4.075 50 40 GIGB Cc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1 831085 QMNJPVDZAJNIBZ-VXLYETTFSA-N 377.307 4.141 50 40 GIGB C/C(=N\NC(=O)CNc1ccc(Cl)cc1Br)c1ccccc1 15134414 JUAHRDJJHIWWRX-RGVLZGJSSA-N 380.673 4.055 50 40 GIGB COC(=O)[C@@H](c1ccccc1)[C@@H](Br)C(=O)c1ccc(Cl)cc1 1664798 BSBGTFNGDSMLDN-LSDHHAIUSA-N 381.653 4.243 50 40 GIGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)Cc2cccs2)c1C 6964130 QOCUNXSHVNFOJR-CIAFOILYSA-N 396.472 4.065 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1 650239 NASSZUSMISLQAZ-SSDVNMTOSA-N 382.803 4.371 50 40 GIGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3cccnc3)sc2c1Cl 408970668 JWZABUCPQGHSSW-ZBKNUEDVSA-N 380.256 4.376 50 40 GIGB Cc1cc(C)cc(CSCC(=O)NN=C2CCN(Cc3ccccc3)CC2)c1 409345249 KUPDSDYDDIDZJP-UHFFFAOYSA-N 395.572 4.305 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C(\C)c1ccc(C)cc1C 408710917 WFXQPWRWAYYPLK-DEDYPNTBSA-N 375.266 4.229 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)c1 408675769 ALILIUHNOYJGED-JJIBRWJFSA-N 378.520 4.205 50 40 GIGB COc1cccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1OC 14152209 HTVOUMSPVPHLCX-GXDHUFHOSA-N 393.468 4.061 50 40 GIGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCCc1ccccc1 2409021 YHWIVFFJKQYSBP-NBVRZTHBSA-N 387.395 4.121 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 4062306 AMOCEGMTOWQKSD-ZVHZXABRSA-N 377.410 4.244 50 40 GIGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)NC[C@H]1CCCO1 26967459 ATPIZVUVSKULQU-OOXMNIKJSA-N 390.361 4.168 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc2c1CCCC2 858272 SDSUNPWVVAUKSK-NTCAYCPXSA-N 380.469 4.349 50 40 GIGB N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1ccccc1Cl 4675152 PWSCYQGVASQMET-NTCAYCPXSA-N 391.814 4.375 50 40 GIGB O=C(NCCCCCCCl)Nc1ccc(I)cc1 6225651 QLUFVLNCJYYLSD-UHFFFAOYSA-N 380.657 4.212 50 40 GIGB CCCCc1ccc(NC(=O)CCNC(=O)[C@@H](Br)CCC)cc1 8733014 SVKAIHSRZCTXQW-INIZCTEOSA-N 383.330 4.038 50 40 GIGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 9200659 QBBNAYWJYDPDFC-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB CCCN(CCC)c1ccc(/C=N\NC(=O)COc2cccc(C)c2C)cc1 30838753 OWVMAECTDTUPLG-JLPGSUDCSA-N 381.520 4.459 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc(OC)c1OC 44027077 ADJGTAKNAYWRDZ-AWNIVKPZSA-N 380.375 4.123 50 40 GIGB CN(C)c1ccc([C@@H]2C(C#N)=C3SCCN3C3=C2C(=O)CC(C)(C)C3)cc1 67257881 DBVXFCKDZAPFOE-LJQANCHMSA-N 379.529 4.277 50 40 GIGB Cc1cc2c(cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CC(C)(C)N2C 208214327 CCKQTCRYEPSEMT-LJGKHRNASA-N 394.475 4.389 50 40 GIGB Cc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)c(C)n1C 408780222 VPFHCHKJWZEYAH-UHFFFAOYSA-N 382.895 4.467 50 40 GIGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)Nc2cccc(Cl)c2)cc1 408949311 AUNXAHMLYRKSQB-HMAPJEAMSA-N 381.867 4.352 50 40 GIGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1Cl 409131635 YNNAXWKHXNKGEO-MRXNPFEDSA-N 377.227 4.316 50 40 GIGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1 409237766 LPHCNWXWZJSORQ-AFDUHFSSSA-N 389.499 4.470 50 40 GIGB COc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 409313603 CPUNWPSOQYBYJH-IWIPYMOSSA-N 390.439 4.047 50 40 GIGB O=C(N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1)Nc1ccc(Cl)cc1 2155556 PEQBYNPMGJUPKT-SRZZPIQSSA-N 383.791 4.454 50 40 GIGB COc1cccc(-c2[nH]nc3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)c1 6733537 YABOMWCHHKSFHM-IBGZPJMESA-N 386.455 4.427 50 40 GIGB N#CCn1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc21 7098461 GXLNBIUJLWPVDF-SSDVNMTOSA-N 382.876 4.061 50 40 GIGB Cc1cccc(OCC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)c1C 30843244 PVMJXINVJVPZDX-MYYYXRDXSA-N 388.467 4.412 50 40 GIGB CC(C)(C)c1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 101758083 QKPAHKJCYQJYIA-AFUMVMLFSA-N 385.467 4.248 50 40 GIGB Cc1cc2c(cc1/C=C(\C#N)C(=O)Nc1sc3c(c1C#N)CCCC3)OCO2 107565477 GZZNBPOXBKWWHF-VGOFMYFVSA-N 391.452 4.081 50 40 GIGB CC[C@H](C)n1nc(C)c(Cl)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253404941 RNBXVRIPIGWMOT-ZUZCIYMTSA-N 388.899 4.267 50 40 GIGB COc1cc(Br)c(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 408543741 SQKZRPOIGDPAFP-AUWJEWJLSA-N 388.217 4.229 50 40 GIGB N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Cl 408745912 AUNQTYDCOLIDJN-NVNXTCNLSA-N 386.238 4.119 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Cl)c1)C(N)=O 408892335 YROSLUAGKBQRNP-NTUHNPAUSA-N 391.652 4.074 50 40 GIGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3cccc(O)c3)o2)c(Br)c1 409230353 YLNVYWPICHTWQS-NHDPSOOVSA-N 399.244 4.487 50 40 GIGB CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1472229 WBKANXMDVWKNCX-FQEVSTJZSA-N 386.455 4.052 50 40 GIGB CCOc1ccc2cc(/C=N/NC(=O)c3ccc(OC)cc3)c(Cl)nc2c1 1958246 GFGUUEMFRCKYGS-WSDLNYQXSA-N 383.835 4.059 50 40 GIGB CCc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](C)C(=O)N2c2ccccc2)cc1 4539973 TVDDZJYRNAZNEV-DLFJBECYSA-N 377.469 4.091 50 40 GIGB COc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1 5827070 IMTDIGKLWHEFCE-HLVNSREUSA-N 377.469 4.182 50 40 GIGB N#C/C(=C\c1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(Cl)ccc1Cl 7986221 OUSATGYMNSCHQM-KPKJPENVSA-N 383.212 4.240 50 40 GIGB COc1cc(Cl)c(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1OC 408589914 NLTPMOQOZZTLDC-YDZHTSKRSA-N 388.895 4.348 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(OCC)c2)cc1 408869568 SDGAIHDUPGTAPW-CXUHLZMHSA-N 398.846 4.461 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCC 409064228 CRUJCLFGHKJRNF-SFQUDFHCSA-N 378.428 4.074 50 40 GIGB O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccc(-n2cccc2)cc1 2403051 JTIIHMSLYNDFIO-LFVJCYFKSA-N 399.406 4.053 50 40 GIGB O=c1c(-c2ccc(O)cc2)coc2cc(OCCCBr)ccc12 2576376 JMDIKMSOYUTVEL-UHFFFAOYSA-N 375.218 4.329 50 40 GIGB in-vitro C=CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCC)c(OC)c1 6964113 INAKOMNJJSOLRG-XKZIYDEJSA-N 388.851 4.076 50 40 GIGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc2ccccc2c1 253570561 NTJFBHVGZFSEKS-CIAFOILYSA-N 383.245 4.375 50 40 GIGB Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccccc1Cl 409066737 CIDFEUTYZVQERW-LGMDPLHJSA-N 381.863 4.031 50 40 GIGB Cc1c(/C=C(\C#N)C(=O)N2CCCC2)c2ccccc2n1Cc1ccccc1C#N 409369142 DVPMXLWFSVDPPK-KGENOOAVSA-N 394.478 4.399 50 40 GIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1 5512901 VOTWBJKYIGUNDR-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Cl 704658 SHWCVDOPLHBZAW-VXLYETTFSA-N 381.657 4.265 50 40 GIGB O=C(Nc1ccc(N(CCCl)CCCl)cc1)c1ccc([N+](=O)[O-])cc1 1735072 ATYQMOXYEDCTHP-UHFFFAOYSA-N 382.247 4.131 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCCO4)o2)cc1Cl 3140671 RKYUPAXWNHFRMU-FSJBWODESA-N 396.830 4.444 50 40 GIGB N#CC1=C(N)S[C@@H](c2ccc(F)cc2)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1Cl 4698565 ANSUFBDAESBCFC-BBWFWOEESA-N 389.839 4.390 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1OCC 5431809 PJOCHQLAPHFOKB-HYARGMPZSA-N 386.517 4.258 50 40 GIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)c(F)c1 66255770 CPLLGRRZZIOJQF-WJDWOHSUSA-N 399.853 4.170 50 40 GIGB Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1cccc2ccccc12 408587436 FWVYHNLDPYNCNU-RGXRWQALSA-N 397.478 4.431 50 40 GIGB Cc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 408772127 DDRFXVWXZHARJU-WGOQTCKBSA-N 383.495 4.317 50 40 GIGB Cc1cc(-n2c(C)cc(C=C(C#N)C#N)c2C)ccc1I 408787004 PNGWHLSRIIXDMH-UHFFFAOYSA-N 387.224 4.438 50 40 GIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cccc(Cl)c1 408995733 DLVOMUUGTJUNAL-FYJGNVAPSA-N 386.839 4.002 50 40 GIGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1c(Cl)cccc1Cl)Nc1ccccc12 2322689 RKBPMBRSBNVCNN-INIZCTEOSA-N 380.238 4.452 50 40 GIGB O=C(N/N=C/c1cccnc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 6188403 HJAOSPLFMKXWAX-YDZHTSKRSA-N 387.468 4.014 50 40 GIGB NC(=O)N/N=C/c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1 6221137 WRUAVAWZTAVNKY-LFVJCYFKSA-N 381.476 4.194 50 40 GIGB COc1cc(C(=O)NN(C)c2ccccc2)cc(OC)c1OCc1ccccc1 11354819 ZOTZQZJEWXEXIL-UHFFFAOYSA-N 392.455 4.064 50 40 GIGB COc1ccc(CC(=O)N/N=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 208441824 AIUADEUZGUSZAW-IWIPYMOSSA-N 377.488 4.020 50 40 GIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc1OCC 216045259 DOWWWVJIPZBLOS-OYKKKHCWSA-N 398.890 4.060 50 40 GIGB CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1C 408552494 IYTRKQGHCPFIPB-MHWRWJLKSA-N 378.501 4.483 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 408769425 UMRWRKTXPAKEAI-WGOQTCKBSA-N 399.494 4.017 50 40 GIGB Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1 408839224 OZFGVAFHBDRMED-KNIYNQPWSA-N 383.451 4.411 50 40 GIGB COc1cccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3OC)o2)c1 409162102 RNQBKMGQYAMQJX-WSDLNYQXSA-N 384.819 4.381 50 40 GIGB CCOc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OCC 409247016 FVFHFJXZWVDUGA-HKWRFOASSA-N 378.472 4.140 50 40 GIGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(-c2ccccc2)cc1 4155753 YCZVONXBXHFHOR-BUVRLJJBSA-N 390.439 4.143 50 40 GIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccs3)c2C)c1 4675255 DPNULDROSTUMPN-LPYMAVHISA-N 395.484 4.096 50 40 GIGB CCc1n[nH]c2c1[C@@H](c1ccc(F)c(Oc3ccccc3)c1)C(C#N)=C(N)O2 9089508 ZUKIAKGRBKIOQF-SFHVURJKSA-N 376.391 4.122 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 20194325 VZMMDNOYKDDHDA-LPYMAVHISA-N 377.400 4.164 50 40 GIGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Br 408759860 MZYLBAPYRCQGAB-OQLLNIDSSA-N 399.244 4.229 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC 657384 DHCXRXDYRYMDKV-DNTJNYDQSA-N 387.650 4.428 50 40 GIGB CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 4631576 NFGIDHSJCJICGY-IBGZPJMESA-N 386.455 4.474 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(OCC)c1 6892407 YJZFPFJXPIFRAI-BUVRLJJBSA-N 392.455 4.410 50 40 GIGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)c1C 9110579 WDMPMPTWTZPDKL-KRWDZBQOSA-N 391.496 4.014 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCC 408780645 GXPWZODBZOMNOT-DHDCSXOGSA-N 377.282 4.008 50 40 GIGB COc1cc(Cl)cc(Cl)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 848238 XDCGWQJBZFXHGN-OAHLLOKOSA-N 393.270 4.453 50 40 GIGB CCOc1ccc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cccc23)cc1 871102 KBHIJQSYFQLJBC-YDZHTSKRSA-N 393.512 4.493 50 40 GIGB O=C(COc1ccc(Br)c2ccccc12)N/N=C/c1cccs1 903847 USSDJYQEJKGVGV-VXLYETTFSA-N 389.274 4.193 50 40 GIGB CCOC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(OC)c1 2308851 FACWOMDMOCYJHV-UFFVCSGVSA-N 380.803 4.147 50 40 GIGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(NCc2ccccc2O)cc1 4108428 ARYBUNLAKVSMQW-CVKSISIWSA-N 384.439 4.250 50 40 GIGB CCCC1=C(C(=O)OCC)[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O1 5614676 GBZMOFXBAJRWPJ-CQSZACIVSA-N 381.259 4.418 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 8472695 UYCZYLMHRSCKNT-SRZZPIQSSA-N 383.791 4.174 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(C)C)cc1 8812852 OSQGXDOUKVPPPM-RGVLZGJSSA-N 391.265 4.009 50 40 GIGB CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19830750 XPVFQOZKSYKSEA-HXOBKFHXSA-N 384.435 4.300 50 40 GIGB Cc1cccc(NC(=O)N/N=C\c2cc(Br)c(N3CCCC3)o2)c1 408853776 RSLVPVRSKAJLLE-ODLFYWEKSA-N 391.269 4.106 50 40 GIGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc2c(c1)OCO2 409179775 SIKKZXNDNICMNP-ZMOGYAJESA-N 390.439 4.049 50 40 GIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1 1947127 MBGCIKYFKLLRQY-AFUMVMLFSA-N 393.874 4.481 50 40 GIGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 8812063 KOVHKBQJVCAVPK-YDZHTSKRSA-N 393.374 4.077 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1OCC 5205751 WIBJKZOZWGAYLR-CJLVFECKSA-N 384.501 4.283 50 40 GIGB COc1ccccc1[C@H]1CC(=O)N2CN(c3ccc(C)cc3)CSC2=C1C#N 4923327 CLEWWZXTNHQSHQ-GOSISDBHSA-N 391.496 4.223 50 40 GIGB N#CC1=C(N)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl 4494769 GUYBDYXJBWYGLU-SFHVURJKSA-N 378.888 4.389 50 40 GIGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@H]1c1ccc(Cl)cc1Cl 5945452 ZKFYPROMVBEYPF-INIZCTEOSA-N 385.206 4.318 50 40 GIGB C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(Cl)c1 1021028 WCMNGOUIDKDTQG-VSMYLPJWSA-N 381.657 4.020 50 40 GIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1F 867546 GBWOQMGXIQUSAI-YRNVUSSQSA-N 390.168 4.042 50 40 GIGB O=C(N/N=c1\oc2ccccc2cc1-c1nc2ccccc2[nH]1)c1cccc(F)c1 1501050 JEKGGJCCCDHHTB-NFFVHWSESA-N 398.397 4.361 50 40 GIGB C/C(=N\OCC(=O)N/N=C/C1=C(c2ccccc2)[C@@H]2C=C[C@H]1C2)c1ccc(C)cc1 4902701 HTWONDJZUPGHOK-GHYUAEBQSA-N 399.494 4.497 50 40 GIGB CC(C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 6616715 LELOXAOWPVVLAL-RGVLZGJSSA-N 383.429 4.361 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 7009248 MRWGORPWFKJJDM-WSDLNYQXSA-N 398.260 4.271 50 40 GIGB CCCOc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(OC)cc3)[nH]n2)cc1 9177791 DRQWQIZAORUFTL-HAHDFKILSA-N 392.459 4.028 50 40 GIGB CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C(CCCCCC2)[C@@H]1c1ccccc1 35193587 ZGZJOPAXJHDUIP-NZQKXSOJSA-N 375.472 4.244 50 40 GIGB Cc1cccc(-n2ncc3c(NNC(=O)c4cccc5ccccc45)ncnc32)c1 35681990 SQDMTYOVEAHOAZ-UHFFFAOYSA-N 394.438 4.034 50 40 GIGB Cc1cc2c(cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(C)(C)N2C 208214363 CCKQTCRYEPSEMT-LUILSVGHSA-N 394.475 4.389 50 40 GIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 408720277 XJOFSITVZKLONF-LPYMAVHISA-N 389.908 4.072 50 40 GIGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408790876 RSYDZKKIMWEGSN-KPKJPENVSA-N 391.210 4.002 50 40 GIGB Cc1cc(C)nc(Sc2ccc(/C=N\NC(=O)c3cccc(Cl)c3)o2)n1 409144631 LQPCQYIRKSFTNW-JMIUGGIZSA-N 386.864 4.255 50 40 GIGB O=C(Cc1ccccc1)N/N=C\c1cn(CCOc2ccccc2)c2ccccc12 409203929 ZDSBZWXOWCQNCM-ITYLOYPMSA-N 397.478 4.413 50 40 GIGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 2768388 KVPKORLSMFVLNI-VGOFRKELSA-N 386.451 4.212 50 40 GIGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc(Cl)c1O 3588598 XFLQLTUATWAJSU-AWNIVKPZSA-N 384.240 4.046 50 40 GIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 4616844 SPQLPGFIGNJVKP-FOWTUZBSSA-N 395.415 4.328 50 40 GIGB CCCCc1[nH]nc2c1[C@@H](c1cccc(OC3CCCC3)c1)C(C#N)=C(N)O2 4631741 KQDLPPCYXOAUQW-IBGZPJMESA-N 378.476 4.292 50 40 GIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(Sc3ccccc3)o2)c1 6229651 VIQJVINVTGEQOK-FYJGNVAPSA-N 382.441 4.212 50 40 GIGB Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 6423069 PKZXZTINFPVZHB-ZMOGYAJESA-N 379.847 4.265 50 40 GIGB CC(C)[C@@H](Br)C(=O)Nc1nc2ccc(N3CCCC3)cc2s1 20133505 HSVXBOCGDRMREA-CQSZACIVSA-N 382.327 4.255 50 40 GIGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1ccc(Cl)cc1 409103015 XBTTXLCXXSYTEP-QINSGFPZSA-N 391.814 4.375 50 40 GIGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl)Nc1ccccc12 989259 QYYDIEZXNQECQL-QGZVFWFLSA-N 380.238 4.452 50 40 GIGB CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)cc1 1025752 FCXHAHNYUKDBKT-LJQANCHMSA-N 385.471 4.141 50 40 GIGB N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)Nc1cccc(Cl)c1 1090970 YTPCSYLJMWHSCW-IZZDOVSWSA-N 377.625 4.354 50 40 GIGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccccn34)c2C)c1 4091347 CGLFAVAQQJDAKS-AFUMVMLFSA-N 399.498 4.431 50 40 GIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Nc2ccccc2)o1 5527368 BAENQWDZUWQJMQ-UDWIEESQSA-N 380.360 4.019 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3cccc(C#N)c3)c2)c(C)c1 20195095 DRXDAWPHGJGSAU-JVWAILMASA-N 397.478 4.447 50 40 GIGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCC)cc1 27018560 IXBBGIRGRNIRSX-XDJHFCHBSA-N 398.466 4.147 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 59104866 FHTPXDBMAHJSCW-ZVHZXABRSA-N 388.423 4.036 50 40 GIGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 1240622 RCYHPKDEGSRYAD-GOSISDBHSA-N 398.800 4.331 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 2502656 VFSAFWSNAUNDPW-QFIPXVFZSA-N 388.398 4.328 50 40 GIGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(F)F)cc1 3283979 LYWCXKYWOLJJRA-AWQFTUOYSA-N 393.440 4.140 50 40 GIGB N#C/C(=C\c1cc(Br)c(O)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 3946918 JEBHOMBMQFZBGM-BJMVGYQFSA-N 385.177 4.003 50 40 GIGB CCOC(=O)/C(C#N)=C/c1ccc(OCCOc2ccc(C)cc2)c(OCC)c1 21269668 TZHZTYABATVODW-XMHGGMMESA-N 395.455 4.322 50 40 GIGB O=C(CNc1ccc(F)cc1)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21 33408707 GWGDSETVVLSIMS-VHAPMWFVSA-N 389.430 4.282 50 40 GIGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1Cl 409309677 KUTHJBCVCPQCEJ-XKZIYDEJSA-N 388.851 4.076 50 40 GIGB Cc1cc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)n(-c2ccccc2)n1 3241393 BCFAXHNORJOOOJ-FOWTUZBSSA-N 394.381 4.328 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1OC 7210392 UBJBQDLJGNXYOG-VGOFMYFVSA-N 386.835 4.220 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccc(N2CCCC2)cc1 7386075 ILCWITVZZCBVNK-HKOYGPOVSA-N 376.504 4.041 50 40 GIGB CCOc1ccccc1/C=C(\C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 5827072 QBMNNXZBVQPNHP-SDNWHVSQSA-N 377.469 4.326 50 40 GIGB COc1ccc(/C(Cl)=C(/C=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 17189535 JKJHXSSWNTZDGL-XMHGGMMESA-N 392.835 4.036 50 40 GIGB ClCCN1CCN(CCCN2c3ccccc3CCc3ccccc32)CC1 19366953 GDMYWEGBUFFHPK-UHFFFAOYSA-N 383.967 4.170 50 40 GIGB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NNc3ccc(F)cc3)cc12 45970339 PRZCFTWJHZSNEH-UHFFFAOYSA-N 398.438 4.490 50 40 GIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccco2)cc1 59266457 RXUNCQNIHLHRFF-DTQAZKPQSA-N 388.379 4.053 50 40 GIGB COC(=O)c1ccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)cc1 408727668 RGESDBMMIPZGSY-YDZHTSKRSA-N 392.480 4.010 50 40 GIGB COCCOc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc12 409205465 NGBOTCFXGYVFKE-GHRIWEEISA-N 392.480 4.150 50 40 GIGB Cc1ccc(SCCC(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1 409343073 FVPASAGVJZNIBA-UHFFFAOYSA-N 381.545 4.245 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N(C)C)o2)c1C 59104317 AHNZVOHKVSJNSN-JYRVWZFOSA-N 388.265 4.271 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@]43C)o2)c([N+](=O)[O-])c1 102075419 IIXBOOKEPNZPRD-LYFOMMBQSA-N 397.431 4.140 50 40 GIGB Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1ccc(F)cc1 408591798 VFAYLPJGUPJXGM-CIAFOILYSA-N 391.537 4.270 50 40 GIGB Cc1ccsc1/C=C(\C#N)C(=O)Nc1ccc(I)cc1 408925001 PYMGEFKTKFTJJW-DHZHZOJOSA-N 394.237 4.207 50 40 GIGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccccc2O)c1C 408960389 LIITZSVRDYIEJW-OYKKKHCWSA-N 375.472 4.434 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1O 409248034 FOVLNWFKLKCCQJ-QNGOZBTKSA-N 390.483 4.175 50 40 GIGB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)c2ccccc2)cc1 657906 UVYJVGIZNWXXAY-OEAKJJBVSA-N 386.367 4.023 50 40 GIGB Cc1cc2c(c(=O)o1)[C@H](c1ccc(F)c(Oc3ccccc3)c1)C(C#N)=C(N)O2 803747 OTWAJZBTVCTVAK-LJQANCHMSA-N 390.370 4.098 50 40 GIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 831079 MFVMXKXPCXFKIK-GXBAXFRPSA-N 383.300 4.471 50 40 GIGB CC(=O)C1=C(OCc2ccccc2)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 1073590 JTVDTIAFOZAUEJ-SFHVURJKSA-N 380.831 4.165 50 40 GIGB Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1ccc(Cl)cc1 3101370 RFAWWVLZBUNMIU-SRZZPIQSSA-N 378.259 4.171 50 40 GIGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(N2CCCC2)cc1 4106723 ZPRBSGYCNBBAGS-FYJGNVAPSA-N 396.541 4.139 50 40 GIGB CC[C@H](C)c1ccc(OCCOc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc1 4508509 SOMDTEPWADWYKW-HUCUOGIVSA-N 394.471 4.059 50 40 GIGB CC(C)(C)c1[nH]nc2c1[C@H](c1cccc(OC3CCCC3)c1)C(C#N)=C(N)O2 4631774 XCGFGFQWPVVIPO-QGZVFWFLSA-N 378.476 4.247 50 40 GIGB CC1=C(C#N)C(O)=NC(=O)/C1=C\c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 5876477 OVFWESKKBJMSOK-YVLHZVERSA-N 390.395 4.232 50 40 GIGB CCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OC)c(OCC)c1 6941684 WHQMEMDFDTUDJO-XKZIYDEJSA-N 390.867 4.300 50 40 GIGB O=C(NNc1ccccc1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 13511306 COXZIDZIDZOZEI-DZFITWGMSA-N 383.451 4.157 50 40 GIGB Cc1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3)cc2)cc1 32119742 MCBABEMNYJSMPC-UCQKPKSFSA-N 389.411 4.246 50 40 GIGB Cn1c(/C(C#N)=C\c2cc3ccccc3nc2N2CCOCC2)nc2ccccc21 42681820 MZJSENHJXYDCGJ-CYVLTUHYSA-N 395.466 4.022 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OCC 409072980 UKTOXBNXKYIVKT-DEDYPNTBSA-N 376.456 4.046 50 40 GIGB CCOc1ccc(/C(C)=N/NC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-] 409178413 HLNNHAJTKFHVEK-HYARGMPZSA-N 377.400 4.301 50 40 GIGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)NC[C@H]1CCCO1 1099968 PLEPSQQILLBZQH-QSOAKEGCSA-N 388.876 4.286 50 40 GIGB N#CC1=C(O)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 2294704 QNJLNLDYOQFLLP-QRWLVFNGSA-N 388.379 4.403 50 40 GIGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccccc1Cl)[C@H](Br)C2=O 4185842 DGRQQFSPTYGWLX-XWIAVFTESA-N 398.728 4.115 50 40 GIGB aggregator Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1nnc2n1CCCCC2 5575086 ZDSQWUBIHPIBQV-NTCAYCPXSA-N 378.867 4.216 50 40 GIGB N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)Nc1ccccc1 33906376 WKOTYXDATCVXPJ-TWGQIWQCSA-N 396.038 4.350 50 40 GIGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 408891210 MYQOIZDVXCPXDO-XDJHFCHBSA-N 398.418 4.460 50 40 GIGB Cc1sc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)c(C#N)c1C 408993485 DIYDQWKKVXKMMC-FMCGGJTJSA-N 376.485 4.408 50 40 GIGB COc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)ccc1O 1048048 QQMGVEKAGBPVCW-DNTJNYDQSA-N 399.299 4.091 50 40 GIGB Cc1ccc(/C(=N\NC(=O)c2ccc(Br)cc2)C(F)(F)F)cc1 4545150 UAQSFKPKYPQBIV-KGENOOAVSA-N 385.183 4.454 50 40 GIGB C/C=C/C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 7015066 IPIFGQVDWACHGA-XXCPEBCNSA-N 390.361 4.192 50 40 GIGB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(OC)c(OCC)c1 8477933 JJSRCXCSINHBCS-YBEGLDIGSA-N 396.443 4.005 50 40 GIGB C=CCOc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1Br 59433033 FSNUMPYGTLHAQZ-RVDMUPIBSA-N 389.293 4.370 50 40 GIGB CCOC(=O)N(C)/N=C/c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 91695366 STSVTPQAZVWIEF-FSJBWODESA-N 394.397 4.256 50 40 GIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c(F)c1 408965486 HREZVUKBMWXMBU-LGJNPRDNSA-N 391.377 4.179 50 40 GIGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c21 985629 RRZXENAIFUIELT-FQEVSTJZSA-N 394.434 4.457 50 40 GIGB COc1ccc(CCCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 3112711 HOFBXGOEGOMDLM-CIAFOILYSA-N 389.839 4.038 50 40 GIGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)O 3227370 BXZGTYMCKZVNLC-UVTDQMKNSA-N 394.228 4.293 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccco2)sc2c1CC[C@H](C)C2 5996460 BZMYNBNRCXEHDU-IXJPEXDMSA-N 384.457 4.188 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3C#N)c2)cc1 20764622 OCRYAQWTEJESJM-WGOQTCKBSA-N 399.450 4.300 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Br)s1 33738309 WMPHTEVIELIKGI-VXLYETTFSA-N 389.274 4.436 50 40 GIGB CCOC(=O)c1c(NC(=O)[C@H](Br)CC)sc2c1CCCCC2 74941521 LLRMFLUVFFWNPV-LLVKDONJSA-N 388.327 4.306 50 40 GIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2OC)c1 408743354 VVNINIMUHADZKK-QGOAFFKASA-N 393.487 4.486 50 40 GIGB N#C/C(=C/c1cccn1-c1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 408935391 DSOYXTSVCYMKNG-VKAVYKQESA-N 376.423 4.181 50 40 GIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)cc(C)c2nc1Cl 786869 HMOBKXSFWHVCJF-QGZVFWFLSA-N 397.862 4.150 50 40 GIGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NC1CC1 2768342 HDLCOAGCYLDNQQ-FOWTUZBSSA-N 388.858 4.378 50 40 GIGB Cc1cc(C(=O)N/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)[nH]n1 4112925 LQQDBXZFOZNNHQ-RUWBFCIHSA-N 382.811 4.256 50 40 GIGB C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(C)o1 5868111 GKCVOVUFNJNNIV-LFVJCYFKSA-N 394.500 4.441 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 6381170 BCNYZZSVFLQQBW-QYHMLUOSSA-N 375.384 4.186 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@@H]2C[C@@H](c3ccccc3)CC=C12 13110736 BFDLPNAMAQGGCB-UCNVEGJOSA-N 377.451 4.069 50 40 GIGB Cc1cccc(-n2nc(C(=O)NN)cc2-c2ccc(Oc3ccccc3)cc2)c1 59472526 GMPSTPMEVQWOQF-UHFFFAOYSA-N 384.439 4.244 50 40 GIGB CCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1 408527264 BPSYMULFZIZJCO-MOSHPQCFSA-N 375.266 4.392 50 40 GIGB Cc1nc(-c2ccc(C(=O)N/N=C\c3ccc4c(c3)C[C@@H](C)O4)cc2)cs1 408710771 JTEKVDWTLMIROD-MYSNOUKZSA-N 377.469 4.206 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1O 408961753 DSSAFBDXNVVYFK-LSFURLLWSA-N 386.757 4.227 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1cccc(F)c1 409124759 LLUMMCPTRLCPAN-OAQYLSRUSA-N 390.414 4.219 50 40 GIGB CC(=O)O[C@@H](CCl)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2372265 NWSZFVKEROGZDI-KRWDZBQOSA-N 387.892 4.197 50 40 GIGB CCCCC(O)(CCCC)C(=O)NN(C(=O)/C=C/c1ccco1)c1ccccc1 4350343 JAIXZWYRGPCDDX-CCEZHUSRSA-N 398.503 4.469 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NC1CCCC1 4723185 KOWMLWRWIHQUGW-UKTHLTGXSA-N 384.819 4.264 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccccc1 5464550 FVYBBXPGASREPN-HYARGMPZSA-N 380.469 4.490 50 40 GIGB COc1ccccc1/C(C)=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2 13618705 WPJNLUSAXCERTQ-KOEQRZSOSA-N 389.499 4.459 50 40 GIGB COC(=O)c1cc(C(=O)CBr)ccc1OCc1ccccc1Cl 85397475 LLSYFEXVXINEMM-UHFFFAOYSA-N 397.652 4.283 50 40 GIGB CCCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC 1837074 OHQRARSSWGWVIG-HXUWFJFHSA-N 396.487 4.325 50 40 GIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(F)F)cc2)cc1 3173308 HHULRUNSAWCCDA-FSJBWODESA-N 376.403 4.115 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c(OC)c1 3254386 OXJXNPVTRQMJQC-UKTHLTGXSA-N 387.233 4.012 50 40 GIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 15222557 UZZHMIOPUNVOON-WJDWOHSUSA-N 393.399 4.104 50 40 GIGB CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19830753 XPVFQOZKSYKSEA-SBUREZEXSA-N 384.435 4.300 50 40 GIGB N#CC1=C2SCN(CCc3ccccc3)CN2C(=O)C[C@@H]1c1cccs1 20348012 CDDDDDZHGVPCJH-INIZCTEOSA-N 381.526 4.006 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N1CCOCC1 33342690 RYQWYRZZHRUAFQ-LCYFTJDESA-N 377.227 4.019 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 33605879 KITMZTFNFWDRGE-SRZZPIQSSA-N 383.791 4.174 50 40 GIGB N#C/C(=C/c1ccc(-n2cncn2)cc1)c1ncc(C(F)(F)F)cc1Cl 98054455 ZKHYJUBJYNPWIR-XGICHPGQSA-N 375.741 4.399 50 40 GIGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)Cc2ccccc2)o1 408586391 BPVCSZCYOPZPIX-BUVRLJJBSA-N 384.439 4.134 50 40 GIGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 408588773 JPMGCSMJNDMFKN-DNTJNYDQSA-N 387.650 4.428 50 40 GIGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(Br)o2)c1 408775422 GPJZWCXWVSFKHI-WQLSENKSSA-N 375.222 4.375 50 40 GIGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 408961405 SPKIQDDXULZHMI-LPYMAVHISA-N 392.415 4.014 50 40 GIGB O=C(c1ccc(OC(F)(F)F)c(F)c1)[C@@H](Br)CBr 575361217 VIAZBOLRJODJQU-LURJTMIESA-N 393.956 4.065 50 40 GIGB COc1ccccc1/C=N/NC(=O)c1ccc(COc2ccc(C)c(C)c2)o1 654959 TXOQTBUUMSBYSJ-YDZHTSKRSA-N 378.428 4.248 50 40 GIGB Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 684900 GXWRJMQWISWPND-UHFFFAOYSA-N 381.435 4.285 50 40 GIGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccnc2)cc(C(C)(C)C)c1O 2231390 SZRCYXMEGHFZTK-MFKUBSTISA-N 381.520 4.465 50 40 GIGB N#C/C(=C\c1c[nH]c2ccc(Br)cc12)C(=O)NCCc1ccccc1 3239288 QONIZHIYGKGENI-XNTDXEJSSA-N 394.272 4.196 50 40 GIGB C/C(=N/NC(=O)c1ccc(F)cc1)c1cccc(NC(=O)C2CCCCC2)c1 5885641 WBHUPPWBYKMZGX-MYYYXRDXSA-N 381.451 4.499 50 40 GIGB CCOC(=O)N/N=C/c1c(C)nn(Cc2c(Cl)cccc2Cl)c1Cl 7948269 BJYJKXOWABEDIV-FBCYGCLPSA-N 389.670 4.280 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccn3)o2)c(Br)c1 8368414 RAZGTUQYUGHLTD-SRZZPIQSSA-N 384.233 4.176 50 40 GIGB O=C(NNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1cccs1 29461019 BFJVWURTVVQIQL-UHFFFAOYSA-N 395.465 4.206 50 40 GIGB COc1cccc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)c1 2218871 PTIVCLPFPMJTJV-GOSISDBHSA-N 395.459 4.054 50 40 GIGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2cc(Cl)cc(Cl)c2)cc1 6670190 ONIPYAMUOBAWJK-MHWRWJLKSA-N 383.256 4.253 50 40 GIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1c[nH]c2ccccc12 7785959 BKQLZGDSDVMZKR-FSJBWODESA-N 377.835 4.079 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(Br)cc1 28497813 JRVRHUCOFAQBNT-XNTDXEJSSA-N 384.277 4.042 50 40 GIGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 36077720 UKBSDTMXBKSPDS-MLPAPPSSSA-N 394.368 4.396 50 40 GIGB CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2ccc(Br)cc2)CC1 59435594 XAJABTUIKABSJQ-UHFFFAOYSA-N 394.313 4.096 50 40 GIGB N#C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408797037 ZXOKJRLTOXLJJG-KPKJPENVSA-N 391.210 4.002 50 40 GIGB O=C(c1ccc(Cl)cc1)[C@H](Br)[C@H](C[N+](=O)[O-])c1ccccc1 1687170 KEDVRSOJQOCNAM-HUUCEWRRSA-N 382.641 4.347 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OC 6351030 SCFQQRXGSGEWMB-OEAKJJBVSA-N 378.428 4.020 50 40 GIGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 20086095 IIAFQQFBAMXQJW-MRXNPFEDSA-N 398.249 4.063 50 40 GIGB Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)c1cccc(-n2cccc2)c1 33371606 CUWQTMSZXSCKPD-XYGWBWBKSA-N 390.462 4.289 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)OCc2nc(-c3ccccc3)cs2)cc1 98008866 MQDOXZUUNXVCJN-GZTJUZNOSA-N 376.437 4.469 50 40 GIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccc(Oc2ccccc2)c1 107733415 SYADXAVGUMJSAC-JCMHNJIXSA-N 375.384 4.080 50 40 GIGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl 210436542 AWVKQJXGKLZGDU-YHYXMXQVSA-N 378.171 4.153 50 40 GIGB N#C/C(=C/c1cc(Cl)cc(Br)c1O)C(=O)Nc1ccccc1 408742464 PABZQDXHBYRQBB-WDZFZDKYSA-N 377.625 4.354 50 40 GIGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1C 408742835 QAZKYNVXNQNIQP-RGEXLXHISA-N 399.450 4.426 50 40 GIGB N#C/C(=C/c1ccc(Br)cc1)C(=O)NCCc1c[nH]c2ccccc12 408947886 DKYOKHOOODJVBA-WJDWOHSUSA-N 394.272 4.196 50 40 GIGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccccc1 3289606 WVBJIVIIESXGFP-LFIBNONCSA-N 394.837 4.197 50 40 GIGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(N(C)C)cc4)[nH]c(=O)c23)C1 6160630 QVZZOHTVSPRCCO-LKKYZFDUSA-N 390.512 4.240 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1C 7637874 BXTHQSZZKDFNIE-PZDOZLBDSA-N 377.488 4.446 50 40 GIGB C[C@H](Cl)C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 39759569 HWGXUSAJGIVXBQ-NSHDSACASA-N 386.864 4.023 50 40 GIGB Cc1cc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccccc1 408676641 LTPFTEXRJSKMBN-UQQQWYQISA-N 386.499 4.458 50 40 GIGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)N1CCOCC1 409072968 WNNPELOOLZWIRG-SSZFMOIBSA-N 384.888 4.257 50 40 GIGB O=C(N/N=C/c1cn(-c2cccs2)nc1-c1ccccc1)c1ccccc1O 3236964 NZZRCEWBJLKSKF-LPYMAVHISA-N 388.452 4.070 50 40 GIGB CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccs2)/C(=C\c2cccs2)C1 20608737 QJAKHWIVXMCRHK-GWCFYCIZSA-N 381.526 4.290 50 40 GIGB COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)c(OC)c1OC 13000649 HRDBQTKDVLNEAJ-LFIBNONCSA-N 377.400 4.135 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)o2)cc1Cl 409356727 HESPIQMUENPCMZ-LSHDLFTRSA-N 382.803 4.401 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C([C@@H](C)CC(C)(C)C2)[C@@H]1c1ccccc1 35193564 VZDYFOCXVQNZFM-CCQPRUGESA-N 389.499 4.346 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3nccs3)o2)cc1 17306649 FKBPVSCJOWUPLZ-PTNGSMBKSA-N 393.424 4.125 50 40 GIGB O=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 2020956 QXZOTBUQCMVXIY-YDZHTSKRSA-N 393.830 4.062 50 40 GIGB O=C(CCSc1ccc(F)cc1)NNC(=O)Nc1cccc2ccccc12 11007373 YWIQQPKXEKCRCF-UHFFFAOYSA-N 383.448 4.314 50 40 GIGB CCOC(=O)C[PH](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1 104121206 SUALRZGWKHRXCT-UHFFFAOYSA-N 392.479 4.201 50 40 GIGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cccc(C)c3)o2)c1 408997505 MSLIETZUKPASBP-FSJBWODESA-N 396.830 4.459 50 40 GIGB COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2ccc(C(C)C)cc2)cc1 4405633 MLBMOGUMNNSDJJ-LFVJCYFKSA-N 397.475 4.450 50 40 GIGB CCc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408567998 HOFXJEBDKZQHDW-FYJGNVAPSA-N 386.542 4.257 50 40 GIGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2OC)cc1OC 6358346 ODDTVXXXCPVSEA-AEOXGOBCSA-N 390.867 4.298 50 40 GIGB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/c2ccc(O)cc2)c1 712012 YNJRXZIUEITEDK-LRULAXNGSA-N 384.479 4.465 50 40 GIGB COc1cc(C)c(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1OC 6814523 XOLUYBQLPIAHME-ZVHZXABRSA-N 391.471 4.184 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 939445 SSWNEAORNSMVFP-MHWRWJLKSA-N 393.443 4.427 50 40 GIGB O=C(N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc(O)c1 409246838 FEVHMGOEIUSBCH-AFUMVMLFSA-N 387.414 4.298 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc(Br)c1 6170179 MBXIRGYFXHEDKB-CIAFOILYSA-N 383.245 4.375 50 40 GIGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(Br)cc1O 15008894 PYXIMANKJXGTJQ-KPKJPENVSA-N 384.233 4.494 50 40 GIGB CC[C@H](C)n1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c2ccccc21 6940519 DDUUSQVFDKSKGT-RSFOSLOZSA-N 395.532 4.262 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@]43C)o2)c([N+](=O)[O-])c1 102075422 IIXBOOKEPNZPRD-DNFLGLBLSA-N 397.431 4.140 50 40 GIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1c(F)cccc1Cl 627514 HTHBOBSVXYHRLG-MRXNPFEDSA-N 398.821 4.261 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3nccs3)o2)cc1 2372132 FKBPVSCJOWUPLZ-RVDMUPIBSA-N 393.424 4.125 50 40 GIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(Cl)c2)cc1OCC 409332146 KEAIREPOQJIXFZ-XKZIYDEJSA-N 388.851 4.076 50 40 GIGB N#CC1=C(SCc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccco1 409125286 MZNIXHQDKUZIMH-CYBMUJFWSA-N 389.274 4.314 50 40 GIGB CC1CCN(c2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2ccccc2)CC1 409273277 JPEMFFOLDGUUEA-QGOAFFKASA-N 390.443 4.377 50 40 GIGB C/C(=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1ccc(C)o1 4405398 LNGVLOXETUDGTC-DJKKODMXSA-N 375.639 4.467 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1cccc(Br)c1 58917798 IMIMIAPAXWGXSE-WSDLNYQXSA-N 397.276 4.016 50 40 GIGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N3C2)cc1 4922703 OCAUNWRHXNFUAD-SFHVURJKSA-N 379.460 4.354 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1OCc1cccc(F)c1 409136527 UZPCANUDEJQJSI-JOCHJYFZSA-N 388.398 4.328 50 40 GIGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1 409000409 YAYPRBRJYGIEPF-KHSOTRJGSA-N 387.414 4.242 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NC1CCCC1 96476343 KOWMLWRWIHQUGW-LCYFTJDESA-N 384.819 4.264 50 40 GIGB CCOc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 27329650 SFDQKDGOVHWSOR-UWJYYQICSA-N 388.471 4.078 50 40 GIGB O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)cc1 1437784 GTWHOFDQPDOXPG-AWQFTUOYSA-N 384.650 4.126 50 40 GIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OC(F)(F)F)cc1 3135171 OYEHUHIKTZOONM-HNNXBMFYSA-N 378.350 4.036 50 40 GIGB Cc1ccc(OCCOc2ccc(/C=N/NC(=O)NC3CCCCC3)cc2)cc1 4207657 OJIDVCWEVCPKCO-JJIBRWJFSA-N 395.503 4.419 50 40 GIGB Cn1cnnc1SCc1ccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1 5164284 VYPCYPOFHPALHW-UHFFFAOYSA-N 399.564 4.430 50 40 GIGB O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 409380652 ANLNPZDTQCPPQL-BRJLIKDPSA-N 393.409 4.338 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1 408964962 JCLOSFUVBKGZBE-UFWORHAWSA-N 378.171 4.412 50 40 GIGB CCOc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OC(=O)c1cccs1 2295719 OZNIUKOBYYZCJW-UDWIEESQSA-N 390.461 4.225 50 40 GIGB Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c3ccccc32)cc1 15012586 LNIJCRQRWNRDDS-WLJFKGHSSA-N 399.494 4.200 50 40 GIGB Cc1ccc(/C(=N/NC(=O)c2ccc(Br)cc2)C(F)(F)F)cc1 23304965 UAQSFKPKYPQBIV-STZFKDTASA-N 385.183 4.454 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc(OC)c1O 44027365 RBYZGIVWRRPAMA-LFYBBSHMSA-N 382.803 4.334 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1OC 59473694 HODIDADNGQCJMD-YDZHTSKRSA-N 398.528 4.260 50 40 GIGB Cc1cc(Br)cc(C)c1C(=O)[C@H](Br)CBr 308792937 JALZOUNQTDRXNR-SECBINFHSA-N 398.920 4.407 50 40 GIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1 4672571 MHEJMRXQEZOLAX-KPKJPENVSA-N 391.305 4.168 50 40 GIGB CCN1C(=O)/C(=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21 6496968 OYQFAMCOHCWOGZ-FLFQWRMESA-N 383.407 4.087 50 40 GIGB Cc1ccc(S(=O)(=O)[C@H]2CCC=CCC[C@@H]2I)cc1 17299328 ATCCHJVUNNNCBZ-GJZGRUSLSA-N 390.286 4.071 50 40 GIGB Cc1cc(C)nc(NNC(=O)c2ccc(-c3nc4ccccc4s3)s2)n1 22234488 QRUVKZYEIUFQEN-UHFFFAOYSA-N 381.486 4.189 50 40 GIGB C/C(=N/NC(=O)c1ccccc1OCCOc1ccccc1)c1cccs1 35386398 KGUHNYVJDCZXCA-JWGURIENSA-N 380.469 4.360 50 40 GIGB C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc(F)cc1 58915672 HXUATDRWJFGZNF-UDWIEESQSA-N 395.297 4.362 50 40 GIGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1CC=C 408774711 QEMZRHCQNHDUAL-YBEGLDIGSA-N 389.293 4.174 50 40 GIGB Cc1ccccc1C(=O)N/N=C/c1cccc(OC(=O)c2ccccc2F)c1 408950798 HQANMMPPVIYDFG-ZVHZXABRSA-N 376.387 4.117 50 40 GIGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 409379522 XAVPVQPWVOBEEI-ZROIWOOFSA-N 394.362 4.090 50 40 GIGB CN(C)c1ccc([C@H](O)P(=O)(c2ccccc2)c2ccccc2)c(Cl)c1 2163361 KGINWOSCXMJDBQ-OAQYLSRUSA-N 385.831 4.411 50 40 GIGB CCN(CC)c1ccc2cc(/C(C)=N/NC(=O)c3ccc(C)cc3)c(=O)oc2c1 9553395 BVPWTAFKPZAKIU-LFVJCYFKSA-N 391.471 4.102 50 40 GIGB O=C(NNc1cccc(Cl)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 30615977 BRPMXKXZUSEZJI-UHFFFAOYSA-N 398.747 4.441 50 40 GIGB COc1ccccc1C(=O)N/N=C(\C)c1ccc(NC(=O)c2cccs2)cc1 15938840 AQZVJTHBZWOPSY-OEAKJJBVSA-N 393.468 4.163 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(OC)c2)cc1 408872878 KOHLICOFCQLBQU-OVCLIPMQSA-N 384.819 4.071 50 40 GIGB COc1cccc(-c2ncnn2C2=C(C#N)[C@@H]3CCCCC[C@H]3S2)c1OC 5019067 BFMYFHPWNWDPDO-SUMWQHHRSA-N 382.489 4.350 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 5880588 JWIJUBGAUWLWOB-MFKUBSTISA-N 383.451 4.462 50 40 GIGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 6338432 OOBNGOGNPONUDF-KDBAOUOFSA-N 383.451 4.297 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2F)c1 1434162 CMFZIKOAVJWMLT-ZMOGYAJESA-N 395.821 4.495 50 40 GIGB CCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 3174532 VNPLUQJMOQFRMI-XQNSMLJCSA-N 384.476 4.427 50 40 GIGB Cc1ccc2nc(Cl)c(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2c1 6880966 DHTZZVDYEROSSA-XNTDXEJSSA-N 391.814 4.441 50 40 GIGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)o2)cc1 7386961 UKIMQFWOAZWPTJ-PCLIKHOPSA-N 384.439 4.182 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)cc1C 4723625 YEEKXMMUEYHNJC-MKMNVTDBSA-N 399.244 4.340 50 40 GIGB COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2)sc2c1CC[C@H](C)C2 4860758 BDYIAVDABYBAIH-WZMONFQBSA-N 380.469 4.205 50 40 GIGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1cccc(Br)c1 13954375 ABBXACHIOZXDJT-YBFXNURJSA-N 381.657 4.022 50 40 GIGB C[C@H]1N(C)c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2C1(C)C 96142455 IDKJYURVTPXLSH-GOSISDBHSA-N 375.452 4.442 50 40 GIGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1C1CCCC1 408772327 OEAVCJOCHVZAMU-YNZBUSHWSA-N 398.514 4.428 50 40 GIGB O=C(N/N=C\c1cc(Br)ccc1O)c1cc2cc(Cl)ccc2o1 409017664 OAJMSQZXZSBMFJ-UWVJOHFNSA-N 393.624 4.318 50 40 GIGB Cc1cccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)s2)c1 4749772 MAYZGQPASWQQHG-LICLKQGHSA-N 375.453 4.294 50 40 GIGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3c(O)ccc4ccccc34)c2)n1 6189243 XQTYLKPXVHQVLH-AFUMVMLFSA-N 398.466 4.171 50 40 GIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc1OCC 14134578 XOJVVHWSJIUGSE-ZVHZXABRSA-N 398.890 4.060 50 40 GIGB CCOc1cc(/C=C(/C#N)C(N)=O)ccc1OCc1c(Cl)cccc1Cl 33410130 YPYOHCYCERTSMX-JYRVWZFOSA-N 391.254 4.363 50 40 GIGB Cc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccccc2)c(Br)c1 44842297 GWHGHARZQRQDOU-SDNWHVSQSA-N 377.263 4.008 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427228 IWSBSSSNMNGKTE-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)C(=O)Nc1cccc(C(=O)O)c1 408543980 RFHDFPGHZIQVOP-WJDWOHSUSA-N 383.363 4.062 50 40 GIGB C/C(=N\NC(=O)CSCCc1ccccc1)c1ccc(Br)cc1 408727795 SBHOEJBIMSYWHI-XSFVSMFZSA-N 391.334 4.265 50 40 GIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 408863028 OKELCQKAQVBDIX-LPYMAVHISA-N 376.416 4.075 50 40 GIGB O=C(N/N=C/c1ccc(Br)s1)c1cccc(C(F)(F)F)c1 408962715 JOUYMNDQIFBAIE-CNHKJKLMSA-N 377.185 4.293 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)c(OC)c1 6736106 QIORUZIQZYYZEB-BUVRLJJBSA-N 390.439 4.047 50 40 GIGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1OC 9177100 XWXBGSSLNLVLKF-KRWDZBQOSA-N 396.491 4.113 50 40 GIGB O=C(O)c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 33341881 GOVJENVJZKBTGP-MYYYXRDXSA-N 395.418 4.364 50 40 GIGB Cc1cc(C(=O)NNc2ccc(C)c(Cl)c2)c2nc3n(c2n1)CCCCC3 36393042 GCYBAGPUUZGOLY-UHFFFAOYSA-N 383.883 4.185 50 40 GIGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Nc3ccccc3)c2C)cc1 408743005 RIGKDXJTHSIGID-OEAKJJBVSA-N 390.443 4.036 50 40 GIGB CC[C@H](C)Oc1ccccc1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 408903991 CCOXRNROVVMDJL-KUARTLJMSA-N 381.388 4.282 50 40 GIGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc([N+](=O)[O-])ccc1O 409055657 JRTAXRKPVKWZHQ-YDZHTSKRSA-N 385.379 4.371 50 40 GIGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCC(=O)O 409393820 SLYYTHVTFXAKJS-NSIKDUERSA-N 375.783 4.405 50 40 GIGB CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccco1)C(=O)CCl 4875522 IAPJRCFFOMMGON-KRWDZBQOSA-N 397.302 4.156 50 40 GIGB O=C(NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 5012538 DLBAUTQFZGMIJJ-UHFFFAOYSA-N 375.211 4.328 50 40 GIGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2)n1 6189193 RWCCIIQSRXRZOY-AFUMVMLFSA-N 398.466 4.171 50 40 GIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)cc1 408792646 BQUPIUOJHTUBHO-FOWTUZBSSA-N 390.370 4.418 50 40 GIGB N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)C(=O)Nc1ccccc1F 408809529 HKLQPLKFKQQLTI-ACCUITESSA-N 376.343 4.330 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1C 7609960 UOVZUFGVRFBVBB-HNLWVNFGSA-N 377.488 4.446 50 40 GIGB C[C@H](Cl)C(=O)Nc1nc2c(Br)cc(Br)cc2s1 20131942 XBMYPHQEZJDCFM-BYPYZUCNSA-N 398.507 4.387 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1 408739822 FXSSEJWNDNSOOJ-ZVHZXABRSA-N 378.451 4.063 50 40 GIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 408744633 ZCFYTXGZKMUAAD-PTNGSMBKSA-N 381.229 4.007 50 40 GIGB CCOc1cc(C(=O)N/N=C\c2cccc(O)c2)ccc1OCc1ccccc1 409314398 REXAMMOURHJTAZ-IWIPYMOSSA-N 390.439 4.134 50 40 GIGB CCOc1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c(OCC)c1 31948263 XBAPVULSCVSENY-RQZCQDPDSA-N 386.455 4.493 50 40 GIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Sc3ccccc3)o2)cc1 107845742 CUIXXRQBVQNAFC-FYJGNVAPSA-N 379.441 4.153 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 59953214 AWMRERDAXFXGCY-NRFANRHFSA-N 390.414 4.219 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc2c1OCCO2 40139987 BUZVGFFKMLIFGY-MLPAPPSSSA-N 394.814 4.391 50 40 GIGB O=C(Cl)[C@H]1CC(=O)N(c2cc(-c3nc4ccccc4o3)ccc2Cl)C1 45887445 OWBQNXXOEKDQNE-NSHDSACASA-N 375.211 4.267 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cccnc2)c1C 6235928 KBNXBMQMGNAISD-VULFUBBASA-N 398.466 4.415 50 40 GIGB O=C(N/N=C/c1ccccc1Cl)c1ccc(Cn2cnc(Cl)c2Cl)o1 2142568 OLWUJRGMDKCASG-QPSGOUHRSA-N 397.649 4.249 50 40 GIGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(C)cc4)CC(=O)N3C2)cc1 2213208 LDDRFPWNGUJANE-LJQANCHMSA-N 391.496 4.223 50 40 GIGB O=C(N/N=C/[C@@]1(c2ccccc2)CC1(Cl)Cl)c1ccc2ccccc2n1 2315215 OFFFDJLPKXCHPM-QNDYCBLQSA-N 384.266 4.466 50 40 GIGB CC(C)c1ccc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2)cc1 2675931 VOPFSXLNJTWHNG-KOEQRZSOSA-N 379.504 4.251 50 40 GIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(Br)c(C)o2)c1 4502553 URDSZLSWERXLQD-UFWORHAWSA-N 395.322 4.351 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OC(C)C 8812811 AEIPPBPLWMSVRK-RGVLZGJSSA-N 391.265 4.009 50 40 GIGB O=C(/C=C/c1cnc(-c2ccccc2)nc1)NNc1ccc(Br)cc1 408527164 BBGPIYFLJZJQNK-IZZDOVSWSA-N 395.260 4.063 50 40 GIGB COc1ccc(C(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)cc1 408719404 DNHJQZRPUGFDCH-PCLIKHOPSA-N 387.439 4.102 50 40 GIGB CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Cl)c1O 10847992 GBARAZAUVPKCLE-YDZHTSKRSA-N 382.847 4.290 50 40 GIGB O=C(NNC(=O)C1CCC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 17360738 BJBFLDAMIMKPAX-UHFFFAOYSA-N 379.847 4.116 50 40 GIGB COc1ccc(/C=N\NC(=O)c2cccnc2)cc1COc1ccc(Cl)cc1 32707741 ALRKJBYJESKBOJ-MSXFZWOLSA-N 395.846 4.087 50 40 GIGB O=C1OCCN1c1ccc(SSc2ccc(N3CCOC3=O)cc2)cc1 40546090 CUYLECNFVBBKNN-UHFFFAOYSA-N 388.470 4.399 50 40 GIGB CC(=O)Nc1cccc([C@@H](C)NC(=O)NNc2ccc(Cl)cc2Cl)c1 45718916 RUUZQISILFUFKO-SNVBAGLBSA-N 381.263 4.339 50 40 GIGB C[C@@]12[C@@H]3[C@H]4[C@H]5C[C@@H]([C@H]4[C@H]1Br)[C@@H]2[C@H]5C3(Br)Br 195528774 KEDQYEQDYKQXQJ-IHJWBSGMSA-N 396.948 4.014 50 40 GIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 408831313 PFFTVXDPTPAYDR-XNTDXEJSSA-N 398.846 4.468 50 40 GIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(N2CCCC2)cc1 408960867 OZJASVVQYBRUBW-ITYLOYPMSA-N 399.494 4.483 50 40 GIGB N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC(=O)C[C@H]1c1ccccc1 6496095 AFXYTXFFSNOEHW-AWEZNQCLSA-N 397.887 4.051 50 40 GIGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(Cl)cc1 20248695 FIULDQDNHLRMAR-DJKKODMXSA-N 397.725 4.486 50 40 GIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccc(Cl)c1 408569674 PKVYVKROPLUKNG-RGVLZGJSSA-N 392.933 4.348 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c([N+](=O)[O-])c1 408893154 CTJSXGNRYLMGIU-MDWZMJQESA-N 386.205 4.211 50 40 GIGB O=C(NNc1ncc(Cl)cc1C(F)(F)F)c1cc(Cl)cnc1Cl 2570677 GIURYSNTBYIDBW-UHFFFAOYSA-N 385.560 4.213 50 40 GIGB Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(OC(C)C)cc3)c21 5941818 UFQLMPMYCOFGQL-IBGZPJMESA-N 386.455 4.391 50 40 GIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1 33580289 IZHMMRPRZCZLFB-WSDLNYQXSA-N 384.819 4.381 50 40 GIGB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc(SC#N)cc1[N+](=O)[O-] 408536924 YGAMMBZCMADOKA-YBEGLDIGSA-N 393.428 4.195 50 40 GIGB N#C/C(=C\c1cc(Br)cc(Cl)c1O)C(=O)Nc1ccccc1F 408816466 WGNQXSDEAURUCY-BJMVGYQFSA-N 395.615 4.493 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCC#N 408986054 LJYSMRYRMJNNCN-WJDWOHSUSA-N 395.846 4.495 50 40 GIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(OC)c3)c2C)cc1 409187477 QYLRLWDCTAUJAS-BUVRLJJBSA-N 391.471 4.265 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccccc1C#N 4511988 MELIAXTWSYJJDF-WGOQTCKBSA-N 399.450 4.300 50 40 GIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 15145754 HBDJMKWQQSLRQP-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB CC(C)CCOC(=O)c1cc(NC(=O)CCl)cc(C(=O)OCCC(C)C)c1 96305953 QVIWQKLAXOJPHA-UHFFFAOYSA-N 397.899 4.270 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(C[C@H](CC)CC2)[C@H]1c1ccccc1 230101658 QDGRPBRRSWBNGH-OFSQETHSSA-N 375.472 4.100 50 40 GIGB N#C/C(=C/c1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1 409208100 AVWXOEUTFAGLLA-LCYFTJDESA-N 376.153 4.264 50 40 GIGB COc1ccc(C(=O)c2c(NC(=O)CCl)sc3c2CCCC3)cc1OC 923032 YQTOXWOWIQEHAU-UHFFFAOYSA-N 393.892 4.052 50 40 GIGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3)=C2C#N)cc1 1296773 NGRHYXBEGMKJBF-SFHVURJKSA-N 391.496 4.014 50 40 GIGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)[C@H](O)c1ccccc1 3102747 VBBYGSODDLGXCE-JHXRPTDYSA-N 394.858 4.103 50 40 GIGB CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)cc1 4678073 MWKBRJRKJRJPEE-KGENOOAVSA-N 382.489 4.471 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1C[C@@H]1c1ccccc1 5519699 FTPOXDJGWYXGRB-HWPLOXAPSA-N 375.384 4.109 50 40 GIGB CC(C)Oc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)cc1 8748216 YHHHNUJEVYMGCD-GOSISDBHSA-N 390.464 4.267 50 40 GIGB CSc1nc(NNC(=O)/C=C/c2ccccc2)c2c3c(sc2n1)CCCC3 13739541 PJZJDLKEMCSRPD-VAWYXSNFSA-N 396.541 4.449 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 96400490 GYUVWSGVGVLXED-XAASPFLLSA-N 399.487 4.149 50 40 GIGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccc(C(=O)O)c(O)c1 104092242 QDFPZDUYONDQDD-UUYOSTAYSA-N 395.286 4.433 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCC 408816205 SVAAYWVNVGCREW-ZHZULCJRSA-N 376.456 4.046 50 40 GIGB CC(C)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 408963840 PPLKRMIORUFELX-SRZZPIQSSA-N 381.388 4.140 50 40 GIGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1 662442 LBUYAUNRTRTBJN-VXKWHMMOSA-N 399.542 4.119 50 40 GIGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 1011070 YGPHHJCBNWLUNA-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cccc(Br)c1 1095711 CAYHAZLIZOPPTO-WSDLNYQXSA-N 382.261 4.165 50 40 GIGB C/C(=N\NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1ccccc1O 4980293 UBQHOZNBEIZQCN-HZHRSRAPSA-N 376.460 4.135 50 40 GIGB COc1ccc(/C(C)=N\NC(=O)[C@H](C)Nc2ccc3ccccc3c2)c(OC)c1 12364797 ZHVZKILHOZHQSQ-GMQKBEEJSA-N 391.471 4.198 50 40 GIGB CCCOc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 19851602 UNTGFPMYGXNKLY-UTKZUKDTSA-N 388.471 4.078 50 40 GIGB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NNc2ccc(C)c(Cl)c2)cc1 30551781 ZNUJGPWKHVYQIK-AWEZNQCLSA-N 391.924 4.160 50 40 GIGB Fc1c(I)ccc(CBr)c1Br 98210421 LWDDUXSJZFPYRU-UHFFFAOYSA-N 393.819 4.088 50 40 GIGB CCOC(=O)C1([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1 100021124 LQJDEGGRSSCUKK-UHFFFAOYSA-N 375.428 4.076 50 40 GIGB O=C(N/N=C\c1cccc(O)c1)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2 408728690 RLFOKCCADLYOEN-MSXFZWOLSA-N 391.858 4.330 50 40 GIGB O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccc(O)cc1 409236932 IHQYODFDKQEPSB-QFEZKATASA-N 387.414 4.298 50 40 GIGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)cc1 409371553 XCXJICIFSMQJPR-XKZIYDEJSA-N 396.450 4.233 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc1 3350180 GNYMLSGTTKGXOS-JJIBRWJFSA-N 381.520 4.323 50 40 GIGB Nc1ccccc1C(=O)N/N=C\c1ccc(-c2ccc(Br)cc2)o1 5740931 XRZSQUADLSTPCS-NHDPSOOVSA-N 384.233 4.055 50 40 GIGB CN1C=C(C(F)(F)F)C=C/C1=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 12559280 ILJYVPAAQMXSET-YPKPFQOOSA-N 387.283 4.369 50 40 GIGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccco1 408753321 GILUYNOSQSJREY-CIAFOILYSA-N 399.244 4.385 50 40 GIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 408793800 GHDDAIKDTFYIEQ-MHWRWJLKSA-N 380.831 4.215 50 40 GIGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2OC)c1C 408968806 ZJFBMTGCZSLQGY-BUVRLJJBSA-N 375.472 4.429 50 40 GIGB COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)(C)C)c21 806504 PNQUYOUQFXHBRD-GFCCVEGCSA-N 393.274 4.241 50 40 GIGB CC[C@@H](C)c1ccc(OCCCOc2ccc(/C=N/NC(N)=O)cc2OC)cc1 4676067 AQEPBYFKKSLSAO-DTVDJLOLSA-N 399.491 4.059 50 40 GIGB O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1ccc(O)c(Br)c1 5749364 DPAKTAJZOJXYLS-SRZZPIQSSA-N 391.309 4.211 50 40 GIGB COc1ccc(C(=O)[C@@H](C)Br)c(OCc2ccccc2)c1OC 17380266 COKUZHHQAIDIEG-GFCCVEGCSA-N 379.250 4.249 50 40 GIGB CCC[C@@H](Br)C(=O)Nc1nc2ccc(N3CCCC3)cc2s1 20132792 YCRXGFMJJNPDLB-GFCCVEGCSA-N 382.327 4.399 50 40 GIGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 20248571 UQWNNKOJVZOFMA-XDHOZWIPSA-N 377.853 4.022 50 40 GIGB CCOC(=O)Cn1c(C)c(/C=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21 33475820 YIXLIVUWVLLRSO-VBKFSLOCSA-N 384.439 4.453 50 40 GIGB O=C(CN1Cc2ccccc2C1)N/N=C/c1c2ccccc2cc2ccccc12 409198777 KWBLAIOEIIFQJG-VULFUBBASA-N 379.463 4.459 50 40 GIGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@H]1CC1(c1ccccc1)c1ccccc1 811474 PKWGFZMXQBSFQZ-HSJQUHBMSA-N 385.423 4.051 50 40 GIGB O=C(CCl)Nc1cccc(CP(=O)(c2ccccc2)c2ccccc2)c1 2305123 HVEVFOOEBJVQQV-UHFFFAOYSA-N 383.815 4.378 50 40 GIGB CC[C@@H]1CCc2sc(C(=O)N/N=C(\C)c3cccc(NC(C)=O)c3)cc2C1 4952199 MLHXTLAEQXAEES-LJGKHRNASA-N 383.517 4.375 50 40 GIGB C/C(=N/NC(=O)c1cccc(F)c1)c1ccc(NC(=O)C2CCCCC2)cc1 5887900 JSWNFYULKDMGHB-MYYYXRDXSA-N 381.451 4.499 50 40 GIGB COc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 7616125 GUEBJGHCJCFBPE-GXDHUFHOSA-N 383.256 4.253 50 40 GIGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccc(Cl)c(Cl)c1 13940010 LUBFSIQXHRFKRU-HNNXBMFYSA-N 384.222 4.053 50 40 GIGB O=C(CSCc1ccccc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 59154886 NJIREPSCXOLIMV-UFWORHAWSA-N 398.271 4.285 50 40 GIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC 408830204 OPRAPIRVCZAFNL-NTEUORMPSA-N 386.835 4.302 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2C)c1C 409205603 RHSWAUFDQOVCNK-WGLQLPMYSA-N 384.483 4.468 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 409361064 OUJJUTGJAMQPQK-LPYMAVHISA-N 377.400 4.164 50 40 GIGB CCOc1ccccc1-c1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)[nH]n1 868122 WFMXJFHWTGJNLY-YDZHTSKRSA-N 387.443 4.029 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)[C@@H](O)c1ccccc1 919067 LCVHEZVPLSMYGO-QPHXDFOYSA-N 389.238 4.437 50 40 GIGB O=P(c1ccccc1)(c1ccccc1)[C@@H](c1cccs1)N1CCOCC1 1076296 ZYKMWTZILULCIM-NRFANRHFSA-N 383.453 4.093 50 40 GIGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/C=C1/N(C)c2ccccc2C1(C)C 3200858 PRRGUJZAEYUSFD-MCORFEDZSA-N 397.906 4.441 50 40 GIGB CC[C@H](C)Oc1c(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cccc1OC 4525093 LIOBICBGSPMGKS-YSKWHIJTSA-N 380.444 4.427 50 40 GIGB C#CCOc1ccccc1/C=N/NC(=O)c1ccccc1OCc1ccccc1 4646444 FBUQDBANKGXHFB-KOEQRZSOSA-N 384.435 4.042 50 40 GIGB Cc1ccc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1 4922462 YFYKKAWPKOLOOX-SFHVURJKSA-N 379.460 4.354 50 40 GIGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1 4922819 KQDAIMKUBOCDHD-LJQANCHMSA-N 391.496 4.305 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(F)cc2)sc2c1CCCC2 5016793 OWPQDJSIZGQZNY-KAMYIIQDSA-N 398.459 4.488 50 40 GIGB CC[C@H](Br)C(=O)Nc1nc2c(F)cc(Br)cc2s1 20132319 GXDWDLLNMGQHDM-LURJTMIESA-N 396.079 4.310 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccccc3C#N)c2)c(C)c1 20195088 IZXGLCQZPZNFCA-JVWAILMASA-N 397.478 4.447 50 40 GIGB CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccccc1 28216665 PDNAUHCRZCBIAA-JHXRPTDYSA-N 379.435 4.071 50 40 GIGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)O 33794571 NNHZTWBCLDDLJA-CXUHLZMHSA-N 391.427 4.106 50 40 GIGB N#C/C(=C/c1ccccc1OCC(=O)O)C(=O)Nc1cccc(Cl)c1Cl 59336583 MFHKOVHWYGVHOB-WQLSENKSSA-N 391.210 4.002 50 40 GIGB COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 856135 GZMPMUBYDKCROS-OAHLLOKOSA-N 393.270 4.453 50 40 GIGB CCCCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(OC)cc2)[nH]n1 4677725 KKMGEEBVDASQNW-HZHRSRAPSA-N 392.459 4.028 50 40 GIGB O=C(CCCl)NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1 6276784 PBQSHOILPBEDGA-UHFFFAOYSA-N 377.828 4.076 50 40 GIGB Cc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N32)cc1 12275492 JKGAKMTYDGZAKA-DYESRHJHSA-N 396.899 4.292 50 40 GIGB CCOc1ccccc1/C=N\NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1 13923914 DEZMELDQIFDKJG-IWIPYMOSSA-N 384.439 4.393 50 40 GIGB O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C\c1cc(Br)ccc1O 36370257 HOLRMCSSSLFNOB-NHDPSOOVSA-N 391.309 4.211 50 40 GIGB N#C/C(=C/c1cc(Cl)cc(Cl)c1O)C(=O)NCCCc1ccccc1 409235537 CBMJVMDIBOVSHW-DHDCSXOGSA-N 375.255 4.355 50 40 GIGB C#CCOc1cccc(/C=C(/C#N)c2ccc(I)cc2)c1 409368289 RHCAKNZEBWVPHB-WJDWOHSUSA-N 385.204 4.367 50 40 GIGB CC(C)(C)c1ccc(C(=O)NNC(=O)C2CCCCC2)cc1Br 3274118 JWHSBDGAKCALOZ-UHFFFAOYSA-N 381.314 4.088 50 40 GIGB CCN(NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(C)cc1 8051841 WNUUNOYRKUUWKN-UHFFFAOYSA-N 379.485 4.480 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)o1 409372122 YCKKMHHHJINJSG-YBEGLDIGSA-N 390.399 4.259 50 40 GIGB COc1cc(/C=C(/C#N)C(N)=S)ccc1OCc1cccc(C(F)(F)F)c1 12419428 MTKOMFCVDPWJKG-AUWJEWJLSA-N 392.402 4.486 50 40 GIGB CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 3634608 GWAACQCSIULZOA-XDHOZWIPSA-N 388.423 4.151 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccccc1Br 6367904 NUZIXSUUTNTBJI-KGENOOAVSA-N 386.293 4.203 50 40 GIGB COc1ccc(/C(C#N)=C\c2cc3c(cc2Br)OCO3)cc1OC 6182209 UUBQXNXHRAFBBD-ACAGNQJTSA-N 388.217 4.259 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1Cc1ccccc1 6201989 YVFNGBJITQAMQE-MTJSOVHGSA-N 399.450 4.397 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccccn34)c2C)cc1 7041641 MXVOKTJCABIIBJ-ZVHZXABRSA-N 385.471 4.123 50 40 GIGB COc1ccc(Br)cc1/C=N/N(C)C(=O)OCc1ccccc1 8091052 YFMICPGTDRPGCW-YBFXNURJSA-N 377.238 4.060 50 40 GIGB O=C(OCCc1cccc2c1[C@H](Cl)C(=O)N2)c1ccc(C(F)(F)F)cc1 100039335 CQTFFOKISXUFPN-HNNXBMFYSA-N 383.753 4.337 50 40 GIGB CC(=O)N/N=C/c1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 1093747 ODVKPYVALQARIK-BUVRLJJBSA-N 377.488 4.488 50 40 GIGB CCN(CC)CCCN(C(=O)CCl)c1nc(-c2ccc(F)cc2)cs1 4215055 RSTROMQDEDCELH-UHFFFAOYSA-N 383.920 4.253 50 40 GIGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cc([N+](=O)[O-])ccc2C)c1C 9201522 XGODUXVBOLHRPR-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB COc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(C)c(C)c2)o1 12462264 TXOQTBUUMSBYSJ-QRVIBDJDSA-N 378.428 4.248 50 40 GIGB N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1O 34257672 FXANOHBLKRBDJE-KAMYIIQDSA-N 375.340 4.106 50 40 GIGB N#C/C(=C\c1cccc2c1OCCCO2)c1nc(O)c2ccc(Cl)cc2n1 55039724 LCZQZHQZIYRTOS-UKTHLTGXSA-N 379.803 4.214 50 40 GIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(OC)c1 408800613 NYTBRPBZAQJKRC-ZNBBLSJYSA-N 382.435 4.235 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OC 409111241 BPBTULGUQYWCMC-CAUNFOBBSA-N 384.501 4.199 50 40 GIGB Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1 409129486 GHUVPHOZTNMFQO-CQSZACIVSA-N 397.525 4.076 50 40 GIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc1OCC 409361210 AVMUYEMNEZFZEC-IWIPYMOSSA-N 398.890 4.006 50 40 GIGB COc1ccccc1/C=N/NC(=O)CSc1cc(C)nc2ccc(C)cc12 1008019 IBAIBMPTKYZLAH-WSDLNYQXSA-N 379.485 4.103 50 40 GIGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1)[C@@H](Br)C2=O 2241070 VAFQPVNXJQZERO-VUCTXSBTSA-N 384.701 4.437 50 40 GIGB CC[C@@H](C)c1ccc(NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C)cc1 8733032 RVIJMACWIPJSHR-DYVFJYSZSA-N 397.357 4.455 50 40 GIGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 10315710 PJOXRSQWLUSZSS-MFKUBSTISA-N 393.462 4.325 50 40 GIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cccc(Br)c2)cc1 409112457 CWJUZTFRAYXZHF-MDBUFAAASA-N 377.307 4.388 50 40 GIGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 409379938 CQTIJPUJSGLSCK-UNOMPAQXSA-N 376.435 4.329 50 40 GIGB Cc1csc(/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc3c(c2)OCO3)n1 8718448 CXLGEARVEAYWST-VIZOYTHASA-N 389.440 4.022 50 40 GIGB COc1ccc(/C=N\NC(=O)c2ccccc2)cc1COc1ccc(F)cc1 44804551 FASOOLDYENCZSY-OYKKKHCWSA-N 378.403 4.177 50 40 GIGB COc1ccc([C@@H]2CC(=O)NC(SCCOc3ccc(C)cc3)=C2C#N)cc1 409325382 YGJOPAQRQUEEFL-IBGZPJMESA-N 394.496 4.155 50 40 GIGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1OCC 831139 PSOVZFDHQYYHGP-CAUNFOBBSA-N 386.517 4.256 50 40 GIGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1cccc(Cl)c1 3112517 WCHZXULMIKTCOA-OEAKJJBVSA-N 378.815 4.323 50 40 GIGB C/C(CC(=O)Nc1c(C)cccc1C)=N\NC(=O)C12CC3CC(CC(C3)C1)C2 4690895 MJHQZZNISVAHGP-PCLIKHOPSA-N 381.520 4.341 50 40 GIGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2)c1C 4871998 BVUUJKIDDAQENP-QGOAFFKASA-N 393.487 4.444 50 40 GIGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC(=O)C[C@@H]1c1ccccc1 6496145 QDHKKUAEJLHLEM-MRXNPFEDSA-N 397.887 4.051 50 40 GIGB C/C(=N\NC(=O)c1cc2c(s1)C[C@@H](C)CC2)c1ccc(-n2ccnc2)cc1 17077451 RHPGKARPLMXWHK-UJLHSTPFSA-N 378.501 4.213 50 40 GIGB COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 301400929 YHMWGJASBOCKEE-YBEGLDIGSA-N 391.393 4.316 50 40 GIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OCC 408776783 RIBAHQZFQBOUHG-JXAWBTAJSA-N 391.471 4.262 50 40 GIGB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCBr 2564956 LDDFVSYSSXXNKH-UHFFFAOYSA-N 378.053 4.082 50 40 GIGB in-vitro Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 20194322 SSKPWGVNURDWNF-LPYMAVHISA-N 377.400 4.164 50 40 GIGB COc1ccccc1[C@@H]1CC(=O)N2CN(c3ccc(F)cc3)CSC2=C1C#N 2238042 NGBLBLANOUFXRP-KRWDZBQOSA-N 395.459 4.054 50 40 GIGB O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1ccco1 4503797 GBTUWFULQMROLE-BUVRLJJBSA-N 384.391 4.416 50 40 GIGB C/C(=N\NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccc2c(c1)OCO2 5659584 JWDGLFACKLINDI-ZVHZXABRSA-N 393.418 4.116 50 40 GIGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccccc1OCc1ccccc1 408733739 PKYLVFORWBSVAB-LPYMAVHISA-N 390.468 4.047 50 40 GIGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1cccc(Br)c1 408763704 QJARBZRDASDANW-WSDLNYQXSA-N 379.257 4.465 50 40 GIGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 33658530 ADGSJBHYDFBYNF-XGHPXPSOSA-N 394.427 4.116 50 40 GIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CCSc2ccc(Cl)cc2)c1 408720255 WUKGRGVPNVDAHV-LPYMAVHISA-N 389.908 4.321 50 40 GIGB CCOc1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(N(C)C)cc3)sc2c1 41120806 FBRYQZBVFRLKAI-RVDMUPIBSA-N 392.484 4.307 50 40 GIGB Cc1cc(C(=O)/C(C#N)=C/c2cccc3c2OCO3)c(C)n1CC(F)(F)F 96130162 BZICHYIMOJQMJO-VGOFMYFVSA-N 376.334 4.186 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1 6329619 CPLHUDAVVPQSSX-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(F)cc1 7930377 VQWMRMSIKZDPPU-ZVHZXABRSA-N 378.403 4.177 50 40 GIGB O=C(Nc1cccc2c(NC(=O)C(Cl)Cl)cccc12)C(Cl)Cl 59663378 LLNXPVXUAUZDMM-UHFFFAOYSA-N 380.058 4.324 50 40 GIGB COc1cccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)c1 51075290 JYFSDFQSRUMUJG-CIAFOILYSA-N 392.440 4.080 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1 12404057 KQIJCEZHWSTOSY-XQNSMLJCSA-N 384.476 4.055 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3)c2C)c(C)c1 28216247 UVJGLFNWKOYSPS-ZVHZXABRSA-N 375.472 4.240 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 6083061 OOBYDBCLHBIAHO-NTCAYCPXSA-N 392.846 4.388 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccccn1 408966178 KHVCOQVJLKCXDO-BRJLIKDPSA-N 386.377 4.272 50 40 GIGB O=C(NNC(=O)c1ccccc1-n1cccc1)Nc1ccc(Cl)c(Cl)c1 5636865 ZLVUBSAIYUCKDT-UHFFFAOYSA-N 389.242 4.251 50 40 GIGB COc1cc(Cl)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 408962590 IFTYALADUZNAAI-LSFURLLWSA-N 386.757 4.140 50 40 GIGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccc(Cl)c(Cl)c1 408792661 BHJDTUJVOHGUTK-KPKJPENVSA-N 391.210 4.002 50 40 GIGB O=C(CC(=O)Nc1cccc(C(F)(F)F)c1)N/N=C/c1cccc2ccccc12 1424063 VJVBJMBYZCUSDJ-DHRITJCHSA-N 399.372 4.338 50 40 GIGB N#CC1=C2CCCC[C@@H]2[C@@H](c2cccc(Br)c2)C(C#N)(C#N)C1=O 2297490 KGRIVQHVDXWUEI-DOTOQJQBSA-N 380.245 4.159 50 40 GIGB COC(=O)N/N=C/c1ccc(OCCSc2ccc(Cl)cc2)c(OC)c1 2300048 TWKOYTVMMOZMMF-UDWIEESQSA-N 394.880 4.210 50 40 GIGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C)cc1 4416312 AJEOQUGZZRDVKI-UDWIEESQSA-N 395.684 4.330 50 40 GIGB O=C(N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)Nc1ccccc1 5900900 YVENNRKVELTSGJ-SRZZPIQSSA-N 383.791 4.454 50 40 GIGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@H]1c1ccc(C(F)(F)F)cc1 5945449 YRHWPSOZFSZDKX-INIZCTEOSA-N 384.313 4.030 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(C)c1 20194386 RZFVKCUWMLILCI-YDZHTSKRSA-N 391.427 4.473 50 40 GIGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(OC)cc2)cc1OC 33708734 WZVMAOXNQBIWMS-UMYHVIPVSA-N 390.867 4.298 50 40 GIGB CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 59435595 XLJWDMLZGNSEEM-UHFFFAOYSA-N 383.414 4.352 50 40 GIGB COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1cc(Cl)cc(Cl)c1 101542480 WIILSQICZIIPLJ-SSDVNMTOSA-N 394.258 4.137 50 40 GIGB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 102225042 LMXDCVDHUYPWPO-JYJNAYRXSA-N 389.455 4.082 50 40 GIGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1 408803786 AMEGMESIHKVKPI-CDYPOPTRSA-N 378.428 4.247 50 40 GIGB CCn1c(NNC(=O)c2cccc(-c3cccc(C)c3)c2)nc2ccccc2c1=O 1625012184 UNMBNKYGIYBGLX-UHFFFAOYSA-N 398.466 4.149 50 40 GIGB COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cc(C)cc23)cc1 871106 QIZZDRBOGGCHCK-FSJBWODESA-N 393.512 4.411 50 40 GIGB Cc1ccc(S(=O)(=O)C[C@@H](Cl)CSc2ccc([N+](=O)[O-])cc2)cc1 1098998 MFGGDFPBUZNTCH-ZDUSSCGKSA-N 385.894 4.077 50 40 GIGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC 4454773 ICIPLNZXZUGRDP-HXUWFJFHSA-N 394.471 4.101 50 40 GIGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4616396 DKBLXFJYOKQHAH-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1cccc(OCc2ccccc2)c1 20086217 XVYJOPIUWYKZFC-JOCHJYFZSA-N 393.450 4.433 50 40 GIGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(C(=O)OCC)cc2s1 20133057 HTDQVTKNVBWWNF-LLVKDONJSA-N 399.310 4.365 50 40 GIGB CC1(CC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)SCCS1 101643272 QMHOELGNXZCJMH-STZFKDTASA-N 386.542 4.302 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 110532922 GYUVWSGVGVLXED-XFHVGPBYSA-N 399.487 4.149 50 40 GIGB Cc1ccc(NC(=O)C(=O)N/N=C\c2cccc(Oc3ccccc3)c2)cc1C 223153247 ONEAARQFTAGNKD-IWIPYMOSSA-N 387.439 4.185 50 40 GIGB COCCN1C(N)=C(C#N)[C@H](c2ccc(C(C)C)cc2)C2=C1CC(C)(C)CC2=O 409132629 QQQMIVMXNCTXDW-NRFANRHFSA-N 393.531 4.193 50 40 GIGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Cl)[C@H](Br)C2=O 5398091 QFNRBQIMRXBWHH-JLZZUVOBSA-N 384.701 4.437 50 40 GIGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC(=O)C[C@H]1c1ccccc1 6496092 QDHKKUAEJLHLEM-INIZCTEOSA-N 397.887 4.051 50 40 GIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C\c1cc(Cl)ccc1O 32114681 VSNCGCZXGHYDAK-MGHGIJLISA-N 387.650 4.270 50 40 GIGB CCN1c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2C(C)=CC1(C)C 208508399 CAZYHROTSPNKBY-OEAKJJBVSA-N 392.459 4.381 50 40 GIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1 408961066 QPZDWGIFBXFFEN-SSDVNMTOSA-N 382.803 4.371 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1 409387022 NBUUSXJXYJPFBJ-AFUMVMLFSA-N 393.874 4.481 50 40 GIGB COc1cccc(-c2ncnn2C2=C(C#N)[C@@H]3CCCCC[C@@H]3S2)c1OC 5019063 BFMYFHPWNWDPDO-GUYCJALGSA-N 382.489 4.350 50 40 GIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1F 5644970 QSHPSAZDBKYGDI-HNNXBMFYSA-N 391.240 4.039 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 6792671 SDBPYALWFDKJAN-ZMOGYAJESA-N 395.434 4.014 50 40 GIGB C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OC)c1O 8108961 UTIADYLNXXWMTL-SRZZPIQSSA-N 390.892 4.025 50 40 GIGB Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 12916052 VMIUUZJUKFEYBG-UHFFFAOYSA-N 397.500 4.013 50 40 GIGB O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1cc(Br)ccc1O 26781025 HOLRMCSSSLFNOB-SRZZPIQSSA-N 391.309 4.211 50 40 GIGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(C(C)C)cc1 33334122 KSLSQISTFCURML-FBHDLOMBSA-N 399.292 4.293 50 40 GIGB CC(C)(C)c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 33411528 SSTDNZCGYGRJPC-ITYLOYPMSA-N 386.495 4.370 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@]43C)o2)cc1 107903192 URKVDFDKNZMMSQ-NBTDYFALSA-N 394.471 4.400 50 40 GIGB COc1ccc2ccc(OC)c(/C=C(/C#N)C(=O)Nc3ccccc3OC)c2c1 209163938 IRNHXMJGWMBYBN-VBKFSLOCSA-N 388.423 4.411 50 40 GIGB O=C(N/N=C/c1cc2ccc([N+](=O)[O-])cc2nc1Cl)c1ccc(Cl)cc1 408729271 YVCLGQOFHJCVFU-AWQFTUOYSA-N 389.198 4.214 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)ccc1O 408740245 JOPFAGQYIKJLIT-FSJBWODESA-N 397.862 4.226 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(O)c(OCC)c2)cc1 4591396 MHSMDJRBBOWOEN-NTEUORMPSA-N 386.835 4.389 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1OCc1ccccc1 5720864 NKMCTZVSVVFXRF-ZVHZXABRSA-N 378.403 4.177 50 40 GIGB CCc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2F)cc1 58871249 VYUJDYQWIJDKJB-MFKUBSTISA-N 389.430 4.404 50 40 GIGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1 192725121 WZHHWSODNUBUIV-UKTHLTGXSA-N 387.233 4.012 50 40 GIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 408532794 RBQUYVZTNHCAPX-YSURURNPSA-N 399.800 4.320 50 40 GIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1OC 408745989 PUIMMJZYEYKQHH-ATVHPVEESA-N 378.428 4.204 50 40 GIGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)c1 409361442 HHPFSOMBJUPPJN-FSJBWODESA-N 395.390 4.304 50 40 GIGB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)[C@@H](C)Cl)c2)c1C 14405493 PRGQKVCIVCDEPW-GFCCVEGCSA-N 376.888 4.118 50 40 GIGB CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br 16692115 UXNODSAEVZNTJJ-YBEGLDIGSA-N 385.261 4.071 50 40 GIGB C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 16790739 QHFAMKHEAQUVSE-LGMDPLHJSA-N 388.858 4.402 50 40 GIGB COc1ccc(/C=N\NC(=O)C2c3ccccc3Oc3ccccc32)cc1OC 30802687 USIRIUFNYZCPIT-OYKKKHCWSA-N 388.423 4.092 50 40 GIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)n1 408975967 DESTZNHOLJGDMR-YBFXNURJSA-N 375.403 4.465 50 40 GIGB N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C(=O)NCc1ccco1 1068913 PLLIVFPJHKEXLL-SDNWHVSQSA-N 396.244 4.056 50 40 GIGB CC(=O)O[C@H](CCl)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2372263 NWSZFVKEROGZDI-QGZVFWFLSA-N 387.892 4.197 50 40 GIGB CC(C)COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 96469059 DNNIXQIHXCTZDH-MOSHPQCFSA-N 387.483 4.469 50 40 GIGB CCOC(=O)/C(C#N)=C(O)\C(=C\c1ccccc1Cl)NC(=O)c1ccccc1 104286746 CACCUOTYGLYOLP-DKPPNDFSSA-N 396.830 4.010 50 40 GIGB O=C(N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccncc1 408603563 RSSUKTMNJISJKJ-MSXFZWOLSA-N 383.810 4.217 50 40 GIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC 408850253 JODBMQOZZZBEST-QRVIBDJDSA-N 396.830 4.261 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C/c1c(O)ccc2ccccc12 8812703 XKVAKSZGHTVKGM-SRZZPIQSSA-N 399.244 4.080 50 40 GIGB O=C(NN=C1CCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20247198 BVRLTGDJJCMBCT-QFIPXVFZSA-N 393.512 4.121 50 40 GIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 58927825 RDSDHWWCLZQBAC-AWQFTUOYSA-N 383.300 4.386 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427224 BUFQJYAJLJDVEM-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)o1 408847991 XPZYVCMGAHFSMY-FMCGGJTJSA-N 388.379 4.463 50 40 GIGB C=CCNC(=O)CCCCC(=O)N/N=C\c1c2ccccc2cc2ccccc12 4534625 ABAMQUAHLVMXBK-ONUIUJJFSA-N 387.483 4.306 50 40 GIGB CCOc1ccc(-c2cc(C(=O)N/N=C\c3c(C)[nH]c4ccccc34)[nH]n2)cc1 4994316 ODZDINNBBMRDTC-QRVIBDJDSA-N 387.443 4.029 50 40 GIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)cc1C 6477970 MJABFIJRGKYFDP-GOSISDBHSA-N 391.496 4.014 50 40 GIGB O=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1F 8273929 NXSQTZFJKPGOJI-UHFFFAOYSA-N 394.471 4.110 50 40 GIGB CCOc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1O 32811730 GZVWHOKYURJUDE-NTUHNPAUSA-N 398.267 4.436 50 40 GIGB N#C/C(C(=O)c1cccc(Br)c1)=C(/O)Nc1ccc(F)cc1F 100935902 UTVSHDYRMRHBKG-VBKFSLOCSA-N 379.160 4.315 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@]43C)o2)cc1 106068830 URKVDFDKNZMMSQ-BZVNERFISA-N 394.471 4.400 50 40 GIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC)cc1OC 409317495 UNHYQUDCPGVUDP-XKZIYDEJSA-N 388.851 4.076 50 40 GIGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 59401510 OIGYQDJCRROHTO-RGVLZGJSSA-N 375.266 4.248 50 40 GIGB COc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@@H]3c2ccccc2)cc1 15973971 XFORXOIKHRUJKY-VXYCCBPDSA-N 397.434 4.370 50 40 GIGB N#C/C(=C\c1csc2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 84593114 NEDUIWHQVWDTFH-DTQAZKPQSA-N 389.480 4.284 50 40 GIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCC 20195249 VCYLHKPZGGJCCU-YDZHTSKRSA-N 388.895 4.447 50 40 GIGB C=CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC 409148967 VEFMRSBTJKYAFP-LJQANCHMSA-N 398.846 4.227 50 40 GIGB CSc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 6249224 HQIKWPPKDARDGT-FYJGNVAPSA-N 379.441 4.018 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1 408599111 OUOFAYSOXNLKEA-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1c(Cl)cccc1Cl 3101383 BMHZTFHONFVWOC-UFFVCSGVSA-N 382.222 4.002 50 40 GIGB CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C(CCl)CCl)cc1 100244355 DFHQDOYCBSDIHD-UHFFFAOYSA-N 393.314 4.341 50 40 GIGB C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1C 16728800 JIQVFDBNLPYRAO-NBVRZTHBSA-N 398.466 4.066 50 40 GIGB COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc3ccccc23)c1C 3320003 BVEVWEZFKXRYQZ-RCCKNPSSSA-N 387.483 4.307 50 40 GIGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc([N+](=O)[O-])cc1 409117286 XGISEBBHOPGJDK-UFWORHAWSA-N 398.271 4.285 50 40 GIGB CO/C=C/[C@H]1[C@H](c2ccccc2)C(C#N)=C(c2ccccc2)OC1(OC)OC 4568192 DAEDNFRBFGAXAQ-LCIJNYEZSA-N 377.440 4.458 50 40 GIGB COc1ccc2cc(/C=N/NC(=O)CSc3ccccc3)c(Cl)nc2c1 408728033 HMVYOJNFRHIYKV-SRZZPIQSSA-N 385.876 4.139 50 40 GIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 2776183 FQGFELQQRLCVDB-GHRIWEEISA-N 378.428 4.204 50 40 GIGB O=C(c1ccc(F)cc1C(F)(F)F)[C@H](Br)CBr 575361038 OVDOVOPNLAQRQO-MRVPVSSYSA-N 377.957 4.186 50 40 GIGB Cc1cc(Cc2ccc(NC(=O)CCl)c(C)c2)ccc1NC(=O)CCl 1435675 IUBWNHGGSUPDFD-UHFFFAOYSA-N 379.287 4.249 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)c2c(C)n(C)c3ccc(OC)cc23)cc1 2229169 SBFVCRKWNDYZNX-BUVRLJJBSA-N 392.503 4.105 50 40 GIGB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 3175024 DRAWMZNOHYPSES-PFRBSUFTSA-N 389.411 4.179 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cccn2-c2cccc(C(=O)O)c2)c1C 4675335 JWVAIRCYLUKEBP-QGOAFFKASA-N 385.423 4.338 50 40 GIGB CC(C)n1cc(/C=N/NC(=O)COc2cccc3cccnc23)c2ccccc21 5051243 AWYXHNREZVNEHP-DHRITJCHSA-N 386.455 4.300 50 40 GIGB N#C/C(=C\Nc1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 6661681 LSZBPKAQFWZSAA-XNTDXEJSSA-N 397.681 4.353 50 40 GIGB Cc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)cn1 30803005 WYQRZDQWXUTZTM-MSXFZWOLSA-N 393.830 4.027 50 40 GIGB O=C(N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21)c1ccc2c(c1)OCO2 36209089 PVUKVLGCSUZPIB-AXVPLRHPSA-N 386.407 4.073 50 40 GIGB Fc1ccc(Br)c(I)c1CBr 97436571 ZEZHMLLYXOXCQR-UHFFFAOYSA-N 393.819 4.088 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCC#N 408795259 UXYPYRZZCFWWNX-CXUHLZMHSA-N 395.846 4.414 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Br)cc2)[C@H]2CCCC=C12 1085010 GUSVBKUKGORYQU-DOTOQJQBSA-N 379.261 4.043 50 40 GIGB C[C@@H](Cl)CN1COc2ccc3ccc4c(c3c2C1)CN(C[C@@H](C)Cl)CO4 1569501 IIQASYJYGPZJHG-ZIAGYGMSSA-N 395.330 4.398 50 40 GIGB C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1ccccc1C 4402019 PWHRFMGIUUOVIR-WSDLNYQXSA-N 378.259 4.436 50 40 GIGB O=[P@](NCCc1ccccc1)(c1ccccc1)c1nc2ccccc2s1 101914524 VICLHUUHPNVUJF-RUZDIDTESA-N 378.437 4.358 50 40 GIGB Cn1c(SCCCCl)nnc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 228927738 BFWIJNVJQJDTRB-UHFFFAOYSA-N 378.841 4.371 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 409358393 FTSXUFKYLUKDEW-LPYMAVHISA-N 377.400 4.164 50 40 GIGB O=C(COCc1nc2ccccc2s1)NNc1ccc(Cl)c(Cl)c1 32740576 JQOPXKNMVMQILI-UHFFFAOYSA-N 382.272 4.263 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccc(C(F)(F)F)cc1 719951 NMMOAJSIHRMESH-ZDUSSCGKSA-N 388.374 4.375 50 40 GIGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1 59392395 HYRRBEGFWJRFEH-CIAFOILYSA-N 399.244 4.482 50 40 GIGB O=C(Cc1c[nH]c2ccccc12)N/N=C/c1cccc(OCc2ccccc2)c1 57643742 LWHYQSXORMAQDY-CVKSISIWSA-N 383.451 4.440 50 40 GIGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/C=C/c2ccccc2)cc1 408996558 ISZJRFNGDRLNTE-ALRKKBJSSA-N 399.450 4.377 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)o1 408722335 HIVSWFYIVRKKEL-KMTVIFNNSA-N 381.432 4.440 50 40 GIGB CCC[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1 2674508 NLBFHWSREOMMNI-NNIWKIFQSA-N 375.266 4.147 50 40 GIGB CCCCCCCCN(NC(=O)c1ccccc1)S(=O)(=O)c1ccccc1 1740444 SVBSSYOQMYLROT-UHFFFAOYSA-N 388.533 4.383 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2ccc3c(c2)CN(c2ccccc2)C3)cc1 4118988 CUDXZLSIZDWSQX-MFKUBSTISA-N 385.467 4.369 50 40 GIGB CC(C)(Oc1ccc(Cl)cc1)C(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])cc1 16740900 FUYJXEKSKPNSEO-WYYKBDRYSA-N 387.823 4.221 50 40 GIGB CCCN(CCC)c1ccc(/C=N\NC(=O)COc2ccc(C)cc2C)cc1 30843104 XUTOUZCPVPBUGX-JLPGSUDCSA-N 381.520 4.459 50 40 GIGB CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)cc1 409065518 SWPWFCCWDPDXQG-BUVRLJJBSA-N 391.427 4.062 50 40 GIGB Cc1c(-c2ccc(/C=N/NC(=O)[C@H](C)Oc3ccccc3)o2)cccc1[N+](=O)[O-] 409160723 ZADDQBMXMNGFDH-NSMHLIOHSA-N 393.399 4.081 50 40 GIGB N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)NCCCc1ccccc1 409245189 OSLFFNUIUJWXBY-DHDCSXOGSA-N 375.255 4.355 50 40 GIGB Cc1cc(C)c(NC(=O)/C(C#N)=C2\SCC(=O)N2c2ccccc2)c(C)c1 2220356 UPXURFYTHRFAHD-FXBPSFAMSA-N 377.469 4.066 50 40 GIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cccn2-c2cccc(C(=O)O)c2)c1 4675467 NYKKSVLRIOJTGP-QGOAFFKASA-N 385.423 4.338 50 40 GIGB COc1ccc([C@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1 6746286 YFSJDDJHTJJSJK-GOSISDBHSA-N 391.496 4.223 50 40 GIGB COc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Cl 30937398 XIWIOYVSWHTVIQ-ZVBGSRNCSA-N 381.259 4.148 50 40 GIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408859791 QMLVYQQLTRZUHD-CNRHGSOZSA-N 395.440 4.486 50 40 GIGB COC(=O)[C@H](c1ccccc1)[C@@H](Br)C(=O)c1ccc(Cl)cc1 1664799 BSBGTFNGDSMLDN-HUUCEWRRSA-N 381.653 4.243 50 40 GIGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Cl)[C@@H](Br)C2=O 2241211 QFNRBQIMRXBWHH-VUCTXSBTSA-N 384.701 4.437 50 40 GIGB CCCCCOc1ccc(O[C@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 3162131 VBDGWETXVLMLTA-ZDSQJECRSA-N 397.519 4.239 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 5513565 XLURSHVHJLDZFQ-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB N#CC(C#N)=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 5576582 VFKVPWLXDXAPLN-UHFFFAOYSA-N 383.194 4.224 50 40 GIGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6901000 QFACHQJBHDQMTE-CMAAAVFUSA-N 379.416 4.457 50 40 GIGB CC(=O)Oc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1 408760014 PZBMDVZLRINHKM-QPEQYQDCSA-N 375.211 4.464 50 40 GIGB C/C(=N\NC(=O)CSc1ccc(C)cc1)c1cccc(Br)c1 408781134 ADWHFZMTLMNVQY-CPNJWEJPSA-N 377.307 4.390 50 40 GIGB COc1cccc(C(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)c1 408841593 LSSMCPOLHGABCV-PCLIKHOPSA-N 387.439 4.102 50 40 GIGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(C)cc1 989068 QKMNAGUNFNLKEW-OAQYLSRUSA-N 386.455 4.106 50 40 GIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1c(Cl)[nH]c2ccccc12 2316754 LJBOYYYARNTSCT-KEBDBYFISA-N 390.668 4.277 50 40 GIGB COc1cccc([C@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)c1 4923446 QWDPNJTXEKCPPU-GOSISDBHSA-N 391.496 4.223 50 40 GIGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccc2ccccc2c1 5282547 SYPZVQYMCUNZRU-PCLIKHOPSA-N 388.471 4.040 50 40 GIGB CC(C)[C@@H](Br)C(=O)Nc1nc2ccc(Br)cc2s1 20133343 YSFSLHZPMZAEGX-SNVBAGLBSA-N 392.116 4.417 50 40 GIGB COc1ccc(C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 35314673 NSSPAHYVXZBFKL-NHDPSOOVSA-N 399.790 4.281 50 40 GIGB O=C(COc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 59417702 NXEWKQHLNGVAIL-ZVHZXABRSA-N 394.858 4.448 50 40 GIGB C=CCn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 408772248 FQPOUFYSXKLBFW-JZJYNLBNSA-N 396.494 4.083 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4cc(C)ccn34)c2C)cc1 408876339 KYHKNJIOOFBWIU-AFUMVMLFSA-N 399.498 4.431 50 40 GIGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)c1C 409134355 OWPDDMSAVOUITQ-AWEZNQCLSA-N 397.525 4.076 50 40 GIGB Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccccc3)o2)cccc1[N+](=O)[O-] 409160721 ZADDQBMXMNGFDH-IKMPRTQCSA-N 393.399 4.081 50 40 GIGB C[C@@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc(N(C)C)cc1)c1ccccc1 409235758 QJJOPTRRPJVOBU-HWLQVLAGSA-N 384.483 4.328 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 1425090 JPKROORWCHENHR-PCLIKHOPSA-N 396.450 4.312 50 40 GIGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OC 2801076 COEPRNXVMRZVAD-JLHYYAGUSA-N 376.334 4.268 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(OC)c1OC 5070382 AFMYPKDQZZDYCN-OQLLNIDSSA-N 376.412 4.292 50 40 GIGB O=C(COc1ccccc1Cl)N/N=C\c1ccc(OCc2ccccc2)cc1 32193907 CJGZRUICKQQZDJ-OYKKKHCWSA-N 394.858 4.448 50 40 GIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(Br)cc2)c1 59473658 XQFPUWSZSZXNQM-KEBDBYFISA-N 391.334 4.449 50 40 GIGB O=c1c2ccccc2n2c(CCl)nnc2n1-c1ccc(Cl)cc1Cl 408712817 UFZBNLKMJQONOD-UHFFFAOYSA-N 379.634 4.079 50 40 GIGB Cc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1[N+](=O)[O-] 408720252 WTPYZYBSUUXXHO-YBFXNURJSA-N 377.853 4.189 50 40 GIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(N2CCCCC2)cc1 408859523 UWIXHNKRMDGMHF-MFKUBSTISA-N 389.421 4.389 50 40 GIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2O)cc1 409047263 NWVKHOVMYNZXSC-WUXMJOGZSA-N 391.210 4.031 50 40 GIGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cccc(Br)c1 993605 AKKSWFSHRCLRJH-RGVLZGJSSA-N 384.233 4.176 50 40 GIGB C=CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Br 4723623 PQZGBOCOCDNWDW-GZTJUZNOSA-N 397.272 4.237 50 40 GIGB C/C(=N\NC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(C#N)cc1 5416255 CZELSZUWJHGBGY-NLRVBDNBSA-N 399.450 4.170 50 40 GIGB Cc1ccc(S(=O)(=O)[C@@H]2CCC=CCC[C@@H]2I)cc1 17299326 ATCCHJVUNNNCBZ-LSDHHAIUSA-N 390.286 4.071 50 40 GIGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 38193710 VJLNRRKBIHUEGG-MDWZMJQESA-N 375.211 4.464 50 40 GIGB N#C/C(=C/c1cc(Cl)ccc1O)C(=O)Nc1cccc(Br)c1 96476259 WCQRZWWYRCGIHX-WDZFZDKYSA-N 377.625 4.354 50 40 GIGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccc(Cl)cc1 100522858 CLACWPCRORULJR-ZVHZXABRSA-N 383.879 4.353 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 408737437 QSFUGQBDHHEBMB-PCLIKHOPSA-N 386.451 4.215 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 2102331 GBGZYOWNNPNMEB-AEOXGOBCSA-N 393.270 4.476 50 40 GIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cccn2-c2cccc(C(=O)O)c2)cc1 4674603 XHBVFOOIUWASBG-NBVRZTHBSA-N 385.423 4.284 50 40 GIGB N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC(F)F)cc1 5715334 DQPOLTGJIHKZFT-LCYFTJDESA-N 388.395 4.318 50 40 GIGB N#CC1=C(SCC(=O)c2ccc(Cl)cc2)NC(=O)C[C@@H]1c1ccccc1 12250089 PKDQHRJLSFGRCM-MRXNPFEDSA-N 382.872 4.295 50 40 GIGB Cc1c(/C=N/NC(N)=O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 107947516 QDFIZENQYGIAPM-LSFURLLWSA-N 375.259 4.307 50 40 GIGB N#C/C(=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)C(N)=S 408541566 BZZZPEKPVITQJO-YRNVUSSQSA-N 384.823 4.408 50 40 GIGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1C1CCCC1 408772323 OEAVCJOCHVZAMU-KVNPQJPTSA-N 398.514 4.428 50 40 GIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cccn1-c1ccccc1 408820123 VHOJXOSEGMWRSW-UUYOSTAYSA-N 388.254 4.313 50 40 GIGB COc1ccc(-n2cccc2/C=N/NC(=O)Cc2cccc3ccccc23)cc1 408955117 WIIBOKSJZHQHCC-KOEQRZSOSA-N 383.451 4.332 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1O 6844704 NBPHNKNAEIGFOX-FSJBWODESA-N 398.846 4.370 50 40 GIGB O=C(CCCl)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 39758444 WZUPQTCDNVXGEX-UHFFFAOYSA-N 386.864 4.025 50 40 GIGB CC(C)Oc1cccc(NS(=O)(=O)c2ccc(CBr)cc2)c1 96029398 ILALZOALWKKPRJ-UHFFFAOYSA-N 384.295 4.170 50 40 GIGB O=c1nc(Cl)ccn1/C(=N\[C@H](Cl)c1ccccc1)C(Cl)(Cl)Cl 100928706 YFEHMIVJPWFFIV-XLUTVVKMSA-N 399.492 4.451 50 40 GIGB Cc1ccccc1-n1cccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 408961738 DRBVIIDWFGODJO-LPYMAVHISA-N 388.383 4.204 50 40 GIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2cc(C)ccc2C)o1 409366844 ZIOBWVFTRQXFEK-ZVHZXABRSA-N 390.439 4.043 50 40 GIGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(O)cc1 408789196 OLJCLZQKFFBXPU-SDNWHVSQSA-N 375.340 4.106 50 40 GIGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1Cl 409332077 JPACVCVWYNJZGL-XKZIYDEJSA-N 388.851 4.076 50 40 GIGB COc1cccc(C(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)c1 83294561 RJSYJZMAQYTBRZ-MYYYXRDXSA-N 383.451 4.462 50 40 GIGB ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H](Cl)[C@H]4O[C@H]4[C@H]3[C@@]1(Cl)C2(Cl)Cl 231182551 ZXFXBSWRVIQKOD-DWSWMSQUSA-N 389.320 4.453 50 40 GIGB in-vitro CCNC(=S)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 1085211 XZLKXFYIMJFHFV-UFFVCSGVSA-N 395.315 4.064 50 40 GIGB N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1ccc(F)cc1 2302205 DPDVFTFCNSHZTN-RVDMUPIBSA-N 376.343 4.330 50 40 GIGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 5338350 YUBGFLYKVRNKHJ-ZVHZXABRSA-N 398.422 4.362 50 40 GIGB CCCCCCSC1=C(C#N)[C@H](c2ccccc2C)[C@@H](C(=O)OC)C(=O)N1 6050900 RNTXTVRKFATPHU-ZWKOTPCHSA-N 386.517 4.046 50 40 GIGB CC[C@H](Br)C(=O)Nc1nc2cc(Br)c(C)cc2s1 20132243 GLHUSLQTHQTSTF-ZETCQYMHSA-N 392.116 4.479 50 40 GIGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 58900730 FOJLNMSXQKPDSF-YDZHTSKRSA-N 393.830 4.062 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1cccc(Cl)c1Cl 96563328 MLDMRAWRIHEJBW-AWEZNQCLSA-N 397.217 4.134 50 40 GIGB COc1ccc2c(-c3ccccc3)cc(SCC(=O)/C(C#N)=C(/C)N)nc2c1 104315158 VEAWMJGYKFWUDM-RGEXLXHISA-N 389.480 4.328 50 40 GIGB COc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OC 408541833 GCMYLHNDZPIDBY-VGOFMYFVSA-N 388.217 4.229 50 40 GIGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccncc3)sc2c1Cl 408968905 CQENBWUEGGZUAW-ZBKNUEDVSA-N 380.256 4.376 50 40 GIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(F)cc2)cc1 409243375 VYJXNESESJLRCW-QFEZKATASA-N 380.394 4.237 50 40 GIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 831077 MFVMXKXPCXFKIK-QQZXWGPFSA-N 383.300 4.471 50 40 GIGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 1772672 FBXBMWPASTZZBF-XNTDXEJSSA-N 379.485 4.005 50 40 GIGB COc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N3C2)cc1 2326367 SEQXHJBUPNRZLL-KRWDZBQOSA-N 395.459 4.054 50 40 GIGB CCOc1ccccc1/C=N/NC(=O)c1ccc(OC(F)(F)C(F)F)cc1 2757983 RWSDVAQRCXLLAF-FOKLQQMPSA-N 384.329 4.086 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@]43C)o2)c1 5487296 JCPFIUFXGRGHTH-HOVMBGJGSA-N 380.444 4.010 50 40 GIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)c3nnc4n3CCCCC4)c2C)cc1 5898269 BLZQDWASCDYCNW-XMHGGMMESA-N 387.487 4.485 50 40 GIGB CC(C)(C)C(=O)Oc1cc(OC(=O)C(C)(C)C)cc(C(=O)CBr)c1 22053159 AQDMBAYYUBDTPG-UHFFFAOYSA-N 399.281 4.167 50 40 GIGB in-vitro O=C(N/N=C\c1ccccc1OCc1ccccc1)c1cc(-c2ccccc2)n[nH]1 30742972 AKQSRASEVJHMPL-XYGWBWBKSA-N 396.450 4.420 50 40 GIGB CCOP(=O)(OCC)C1=C(N)SC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 35185290 ZEZVYFNZAYRGFO-CYBMUJFWSA-N 399.840 4.258 50 40 GIGB COc1cc(OC)c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Br 107657605 IYTYPWJXWASPNN-MLPAPPSSSA-N 389.205 4.439 50 40 GIGB CCOC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C 408989040 JLKTWXYYMBPTIH-WJDWOHSUSA-N 398.846 4.136 50 40 GIGB O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2ccc3ccccc3c2)c1 409094038 CLVCNIMYFRLHRM-BUVRLJJBSA-N 383.407 4.093 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccccn1 409230878 GWYOPQGJAFVKTL-WSDLNYQXSA-N 397.276 4.016 50 40 GIGB Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1073827 HAFWZQLHHUVTBY-GOSISDBHSA-N 380.810 4.191 50 40 GIGB Cc1c([N+](=O)[O-])cc(C(C)(C)C)c(OC(=O)C(Cl)(Cl)Cl)c1[N+](=O)[O-] 1736509 YXCRPBYMAYAJEZ-UHFFFAOYSA-N 399.614 4.385 50 40 GIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccs3)c2C)cc1 2656952 NSBLOUAYMYDNDI-HYARGMPZSA-N 381.501 4.247 50 40 GIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc3ccc(=O)oc3c2)c1C 7780352 MBTHJTLEXJHTHW-WOJGMQOQSA-N 376.412 4.134 50 40 GIGB COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NC(C)(C)CC(C)(C)C)cc1 17077804 NCLLSUAMUZKTTB-WJDWOHSUSA-N 380.492 4.323 50 40 GIGB CCOc1cc(/C=C(/C#N)C(N)=O)cc(Cl)c1OCc1ccccc1Cl 35241058 HGKLOEGLNKPQMT-AUWJEWJLSA-N 391.254 4.363 50 40 GIGB Cn1ccnc1C(=O)c1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1 63689899 CUXBYBLGUAUTDY-INIZCTEOSA-N 389.546 4.304 50 40 GIGB biogenic CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cc(OC)ccc2OC)cc1 408811017 QJXYGMXZQLPGEB-IQFISFIMSA-N 394.471 4.104 50 40 GIGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c1C 408963686 AHJKYFHDTWKKHJ-PCLIKHOPSA-N 388.515 4.486 50 40 GIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)c(F)c1 408968355 VVXYSKOBIKUPKE-LGJNPRDNSA-N 391.377 4.179 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)c1C 409189224 NAQLWVLIDBOPKS-FSJBWODESA-N 396.830 4.459 50 40 GIGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1OCC 408566658 IGNFPAXCYOQLFT-LFVJCYFKSA-N 382.504 4.474 50 40 GIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)Nc2ccc(F)cc2)o1 408963410 ZGYOJLRLZXQXOY-JJFYIABZSA-N 381.363 4.248 50 40 GIGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2ccc(C(C)C)cc2)CC1 409006889 RTUQGEFMRCSIJC-PCLIKHOPSA-N 391.515 4.121 50 40 GIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 1805714 MNOWNABIVUDIEN-LFIBNONCSA-N 398.484 4.486 50 40 GIGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 2273529 PVZAGLILOBOZQW-HXUWFJFHSA-N 396.487 4.325 50 40 GIGB CCCCCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1 4401869 XYYGAFHATBXDRD-HZHRSRAPSA-N 396.447 4.268 50 40 GIGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc2ccccc2c1O 4481912 VRJZHGYITOGVJE-CIAFOILYSA-N 383.245 4.462 50 40 GIGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 4545753 RGQYIHWAELFPRT-MJGLRYBLSA-N 385.395 4.270 50 40 GIGB Cc1ccc([C@@H]2C(C#N)=C(N)N(c3cccnc3Cl)C3=C2C(=O)CCC3)s1 6815505 XONDEUOABKQTCC-KRWDZBQOSA-N 396.903 4.410 50 40 GIGB O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccc2c(c1)OCO2 7779210 FZQVTBHOMALGBQ-ZMOGYAJESA-N 383.407 4.328 50 40 GIGB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@@H]12 12655843 ZAWRSOOFVJIHLN-NUABRCLCSA-N 391.305 4.411 50 40 GIGB biogenic N#C/C(=C\c1cnn(Cc2ccccc2)c1)c1nc(O)c2ccc(Cl)cc2n1 40073248 OAPDGGNXIFUSOO-LZYBPNLTSA-N 387.830 4.298 50 40 GIGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4cccs4)cc3C2)cc1 58872013 FUZRJEFJTAQPRF-YDZHTSKRSA-N 391.496 4.431 50 40 GIGB CCCCOC(=O)NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 98050256 NQKNVQXHBMLZTL-UHFFFAOYSA-O 392.459 4.464 50 40 GIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1 409105320 MSEUFZDSZUGHDF-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB COc1ccc(OCc2cc(/C=N\NC(=O)c3ccccc3)ccc2OC)cc1 32578303 SORRVZSPBKPXLC-IWIPYMOSSA-N 390.439 4.047 50 40 GIGB Cc1ccccc1C[C@@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1 4505976 PNGZDHRKZQOAPL-JAMLUQCHSA-N 386.451 4.200 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(Br)s1 5491483 XIGFXNFHZHYOML-ZDUSSCGKSA-N 399.273 4.119 50 40 GIGB CN(C)c1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1 409139057 LVQKDRDJAHBRRP-UFFVCSGVSA-N 396.343 4.443 50 40 GIGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc2c3c(cccc13)CC2 408752130 BWVOARITHFBGSN-FSJBWODESA-N 386.480 4.057 50 40 GIGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408998943 QXHXPFSADFQTLC-FMCGGJTJSA-N 395.846 4.210 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 38365704 QZFXBUQGYCDNDW-HMAPJEAMSA-N 377.400 4.301 50 40 GIGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccccc2)o1 8101720 OLMMWNKXZPHVML-WSDLNYQXSA-N 382.803 4.151 50 40 GIGB Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3O)c3ccccc32)cc1 14134736 NYILWWPLYYUSAJ-AFUMVMLFSA-N 383.451 4.468 50 40 GIGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cccc(Br)c1 5381739 SSZFSDMMTVBCRQ-CIAFOILYSA-N 383.245 4.462 50 40 GIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)OC)cc2)cc1 1903493 IPPRPUWLUYTPSG-NBVRZTHBSA-N 379.412 4.165 50 40 GIGB CC(=O)c1ccc(-c2ccc(/C=C(\C#N)S(=O)(=O)c3ccccc3)o2)cc1 2695921 ADATVWIQJLHZGD-DEDYPNTBSA-N 377.421 4.488 50 40 GIGB COc1cc(/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1O 4175002 RUKBYJKIWLZOMA-ZSOIEALJSA-N 379.397 4.497 50 40 GIGB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(SC)cc2)C(C#N)=C(N)O3)cc1 5095158 CTCHKTAPWLNWQW-QGZVFWFLSA-N 390.468 4.025 50 40 GIGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)cc1 5177090 VDQSLWLQCAITGL-ZVHZXABRSA-N 375.403 4.150 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=CCCC[C@@H]2[C@H]1c1cccc2ccccc12 254737073 XGDGFATYQMYRDA-HOKHCIIBSA-N 397.478 4.473 50 40 GIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(I)cc1 408744686 MNBAGDVKTJMKKM-UVTDQMKNSA-N 388.208 4.145 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC 657457 HOIGDINBUSUOEO-DNTJNYDQSA-N 387.650 4.428 50 40 GIGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1cccs1 2207656 ZWGAJTRCTLVKNY-CYBMUJFWSA-N 388.374 4.171 50 40 GIGB C/C(=N\NC(=O)COc1ccc2ccccc2c1Br)c1ccco1 4676214 DLODTCMJEYMPTK-UDWIEESQSA-N 387.233 4.115 50 40 GIGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3cccc4ccccc34)cc2)n1 6189224 LSHGUCBYKPDWJZ-MFKUBSTISA-N 382.467 4.465 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br 7157218 NCANTJCXAGRFER-RKPNYOAGSA-N 385.261 4.242 50 40 GIGB CCc1sc(C(=O)NNC(=O)c2ccc(C3SCCS3)cc2)cc1C 8294030 BXQBQWQAQQFREO-UHFFFAOYSA-N 392.571 4.172 50 40 GIGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1cccc(Cl)c1 33415761 YTDPHDHUTMQURH-PTNGSMBKSA-N 391.814 4.375 50 40 GIGB COc1cccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c1O 59474289 YFEJKQPONQSCBH-OEAKJJBVSA-N 392.480 4.457 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)cc1[N+](=O)[O-] 408992694 AYJYVDCMFPFPLD-UCQKPKSFSA-N 390.443 4.004 50 40 GIGB C=CCc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2)cc(OCC)c1O 1015208 QSWUKAYUQCJKOQ-LFVJCYFKSA-N 396.487 4.001 50 40 GIGB CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 4631577 NFGIDHSJCJICGY-LJQANCHMSA-N 386.455 4.474 50 40 GIGB CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)COc1ccc(C(C)C)cc1 4866815 XTSQMXZLTUOJBX-XNDPVBJBSA-N 380.444 4.123 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc2c(c1)OCO2 8103144 CNJZDUZRUJMWSC-YDZHTSKRSA-N 376.412 4.121 50 40 GIGB CCOc1ccccc1[C@@H]1CC(=O)N2CN(C3CCCCC3)CSC2=C1C#N 20348355 PIXUXVSRHBRGCF-SFHVURJKSA-N 397.544 4.433 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 20764308 GERISUMTKFCASB-ZVHZXABRSA-N 379.435 4.396 50 40 GIGB C/C(CC(=O)NC1CCCCC1)=N\NC(=O)C(c1ccccc1)c1ccccc1 100922337 BKRBKLUXYZROIV-NLRVBDNBSA-N 391.515 4.150 50 40 GIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OC(C)C)cc2OC(C)C)cc1 408532902 RLNDAFHNWGNCCZ-ZMOGYAJESA-N 383.492 4.132 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1[N+](=O)[O-] 408839873 CYCSCWGOTCNOOJ-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB COc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 2629129 DOZXHHGSYWLWQZ-FSJBWODESA-N 383.835 4.171 50 40 GIGB COc1ccc(Br)cc1/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 13135312 OOXMWMPLMSCBGV-MHWRWJLKSA-N 392.274 4.105 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)o2)cc1Cl 13940131 SUFWNFMGYGWROI-JGHSGIRGSA-N 396.830 4.199 50 40 GIGB CC(=O)OC/C(=C/C(=O)O)CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)CCC[C@@]12C 14499629 KLGPVOFVVYHEGO-VBIQWIQDSA-N 376.493 4.319 50 40 GIGB biogenic,in-vitro Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c1 16411816 XYKTZDJBEHJTKZ-MKMNVTDBSA-N 399.244 4.340 50 40 GIGB CCOc1ccc([C@@H]2CC(=O)N3CN(C4CCCC4)CSC3=C2C#N)cc1 20347975 LSZHKNGJJBSCEW-SFHVURJKSA-N 383.517 4.043 50 40 GIGB N#C/C(=C\c1ccc(OCC(N)=O)c(Br)c1)c1ccc(Cl)cc1 408580283 NWOIKNRGVBVMKL-NTUHNPAUSA-N 391.652 4.031 50 40 GIGB Fc1cc(I)c(Br)c(CBr)c1 575688655 MEZJEQMDOMSRBL-UHFFFAOYSA-N 393.819 4.088 50 40 GIGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1 2365423 LVRISZYCBBDCGG-SFHVURJKSA-N 395.459 4.054 50 40 GIGB O=C(CCCl)Nc1nnc(SCc2ccc(Br)cc2)s1 2451443 YOZDGZYDYJOTKY-UHFFFAOYSA-N 392.731 4.160 50 40 GIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)cc1 33642780 NPCGSEUNTRIZJL-ZVHZXABRSA-N 389.455 4.349 50 40 GIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cccc(Br)c2)c1 59473181 FNWBVSVZKLAATA-KEBDBYFISA-N 391.334 4.449 50 40 GIGB CCN1c2ccc(/C=N\NC(=O)Cc3ccc(OC)cc3)cc2C(C)=CC1(C)C 208513193 OMASUXFJDBSPDR-XYGWBWBKSA-N 391.515 4.410 50 40 GIGB O=[N+]([O-])c1cc(CBr)cc(Br)c1OC(F)(F)F 258827953 DAZZMFYBWLVRPL-UHFFFAOYSA-N 378.926 4.151 50 40 GIGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2)cc1 408772771 RBDJPRYJONWHST-LGMDPLHJSA-N 379.460 4.096 50 40 GIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)c1 409000631 UOOMVRFFERSWTE-IWIPYMOSSA-N 389.455 4.035 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)n3nc(C)cc3C)o2)cc1 409370058 KDIJNJOJRSHEGC-LDADJPATSA-N 389.411 4.184 50 40 GIGB N#C/C(=C/c1ccc(-c2nc3ccccc3s2)o1)C(=O)NCc1ccco1 2424471 MUIDTHHCNIOJEX-RAXLEYEMSA-N 375.409 4.373 50 40 GIGB N#CC1=C2SCN(c3ccccc3F)CN2C(=O)C[C@H]1c1ccccc1F 2440483 FLVFMXJXEKKOHO-AWEZNQCLSA-N 383.423 4.184 50 40 GIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(C)c1 3150165 HEPNVOHSHMKFQN-MFKUBSTISA-N 388.467 4.412 50 40 GIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1OCCC(C)C 16788562 JQEJPKTWKZUKMN-JOCHJYFZSA-N 393.487 4.311 50 40 GIGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 28217282 IOOZDSPZJXWVBZ-WYMPLXKRSA-N 399.853 4.416 50 40 GIGB N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)NC[C@@H]1CCCO1 408810688 JPVHBJOUQHHUQD-YWFITGJYSA-N 396.874 4.121 50 40 GIGB CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 408813443 QIYRPCPMYINFMN-GYZOOYGHSA-N 394.427 4.015 50 40 GIGB COc1ccc(NC(=O)N/N=C\c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1 408851905 BKMCZVAFZKHSEE-UUYOSTAYSA-N 393.399 4.117 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc1OC 408910102 WGIACFSBVVZGMQ-LFVJCYFKSA-N 396.487 4.050 50 40 GIGB O=[P@](O)(CCP(c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1 2343818 FSGMPEOJKKFRIL-NRFANRHFSA-N 384.352 4.081 50 40 GIGB Cc1ccc(/C=N/NC(=O)CSc2cc(C)c(Br)cc2C)o1 3226534 MCUJABIWAKKNHU-QGMBQPNBSA-N 381.295 4.210 50 40 GIGB Cn1c(-c2ccccc2)c(/C=N/NC(=O)CNc2ccccc2)c2ccccc21 3348239 MGFNTYAOJRVCMF-WGOQTCKBSA-N 382.467 4.408 50 40 GIGB O=C(Cc1ccc(N2CCCC2=O)cc1)NN(c1ccccc1)c1ccccc1 15579206 TVMLDCFWEFSTHI-UHFFFAOYSA-N 385.467 4.225 50 40 GIGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nc2ccccc12 33437775 ANJGFOJLQCXLSH-QFEZKATASA-N 395.418 4.394 50 40 GIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1 33725183 ZGICNNMMFULGMN-FOWTUZBSSA-N 378.428 4.309 50 40 GIGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 59474281 UFVOCEUHSNCGPA-XDHOZWIPSA-N 377.853 4.022 50 40 GIGB C[C@@]12[C@H](Br)[C@H]3[C@H]4C[C@H]5[C@@H]3[C@H]1C(Br)(Br)[C@H]5[C@@H]42 245266576 KEDQYEQDYKQXQJ-OVDCHRAYSA-N 396.948 4.014 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccc(C#N)cc2)cc1)C(=O)NCc1cccs1 409197466 GCHMSTGDUFFJOJ-UDWIEESQSA-N 399.475 4.422 50 40 GIGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 954239 YQEUOPLSMVCWJI-OQLLNIDSSA-N 379.416 4.124 50 40 GIGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 989413 HYVOMOXMFIVMGC-CIAFOILYSA-N 383.791 4.201 50 40 GIGB COc1cccc(-c2n[nH]c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)c1 9374739 NOGHAIZIYRHJAD-HNNXBMFYSA-N 396.809 4.096 50 40 GIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OC(F)(F)F)cc1 2561534 OYEHUHIKTZOONM-OAHLLOKOSA-N 378.350 4.036 50 40 GIGB C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)COc2ccc(C(=O)OCCC)cc2)C1 33565406 HJLIEVXATPTPMX-FGLUDEAJSA-N 384.476 4.037 50 40 GIGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 9015101 KJCFKPXNEAFYLF-LLVKDONJSA-N 399.299 4.018 50 40 GIGB O=C(COc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1Cl 408528930 XRSTYBRFPUALMM-ZVHZXABRSA-N 394.858 4.448 50 40 GIGB O=C(c1cc(F)cc(C(F)(F)F)c1)[C@@H](Br)CBr 575361224 TZQSPRHUXXEIDJ-QMMMGPOBSA-N 377.957 4.186 50 40 GIGB Cn1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 711761 RXXMHESKSCZOSB-ZVBGSRNCSA-N 376.243 4.014 50 40 GIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1F 4548559 MMLUDGBHLFJILG-OAHLLOKOSA-N 391.240 4.039 50 40 GIGB COc1ccc(Br)c(C(=O)NNc2cccc(C(F)(F)F)c2)c1 68774008 KWFLSVGTIWPQQN-UHFFFAOYSA-N 389.171 4.233 50 40 GIGB CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c2ccccc12 408810217 KDCSRACGHAUYSB-RGEXLXHISA-N 386.451 4.470 50 40 GIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c(C#N)c1C 408547471 XGDDCCHFYADJNT-RIYZIHGNSA-N 398.871 4.477 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc(Cl)c1O 408805418 JXQNGLOVLDSEFJ-RIYZIHGNSA-N 386.835 4.307 50 40 GIGB Cc1cc(NC(=O)N/N=C\c2ccc(C)c([N+](=O)[O-])c2)ccc1Br 408904228 GTVABASEVHCRRF-NVMNQCDNSA-N 391.225 4.130 50 40 GIGB C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 409076066 XIJOANPJEZMDHS-KGENOOAVSA-N 388.467 4.212 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OC 6279654 LTKWZQIUUVIPIN-NTEUORMPSA-N 386.835 4.302 50 40 GIGB CC/C(Cc1ccccc1)=N/NC(=O)c1ccn(Cc2ccc(Cl)cc2)n1 5464414 INKKTCVRHPLDSV-NMWGTECJSA-N 380.879 4.323 50 40 GIGB CCCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 12687475 UQIULWJXOORALM-XQNSMLJCSA-N 376.460 4.410 50 40 GIGB Cc1cccc([C@H](C)NNC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)c1 670051 FBRFJWLCWWHQNO-FQEVSTJZSA-N 388.511 4.230 50 40 GIGB COc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccccc1C(=O)O 1686177 YHXCSAXDNGRWMX-LPYMAVHISA-N 395.286 4.428 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccco2)ccc1OCc1ccccc1C#N 6181579 HFHPHRSLVYHKFW-YBFXNURJSA-N 399.406 4.285 50 40 GIGB CCCc1[nH]nc2c1[C@H](c1c(Cl)noc1C)C(C#N)=C(N)N2c1ccccc1 8568302 ZKANRVHDPPUVIP-INIZCTEOSA-N 394.866 4.290 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1cccn1-c1cccc(Br)c1 409015050 RNIDTVOWRRGMRV-FYJGNVAPSA-N 398.260 4.012 50 40 GIGB CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc([C@@H](C)CC)cc1 8733029 TZPDXQLSKRTVGU-XJKSGUPXSA-N 383.330 4.209 50 40 GIGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)Cc1ccc(Cl)cc1 100522891 DDUKJJHERGUGET-MFKUBSTISA-N 397.906 4.282 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@H]3[C@H]4CCCC[C@]34C)o2)c1 100181967 JCPFIUFXGRGHTH-FVNIOWGDSA-N 380.444 4.010 50 40 GIGB C/C(=N/NC(=O)c1cc2ccccc2n1Cc1ccccc1)c1ccc(N)cc1 18191499 ODLQFXDFUAFDQS-ONUIUJJFSA-N 382.467 4.426 50 40 GIGB Cc1cc(C)c2nc(C)cc(SCC(=O)N/N=C/c3ccc(O)cc3)c2c1 871108 JCFNWWWLJIFHGO-SSDVNMTOSA-N 379.485 4.108 50 40 GIGB O=C(N/N=C/c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccncc1 7892841 FUARMBPIGYCADO-WSDLNYQXSA-N 396.790 4.199 50 40 GIGB Cc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccccc1 58886652 ANAINBFEKKIMDS-ZHNJOBQTSA-N 375.472 4.058 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc(OCC)c1O 59247804 JSTRACBHFWSINJ-BOPFTXTBSA-N 378.428 4.074 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)[nH]c2ccccc12 408710838 OIFUQNCJDUCLHC-KEBDBYFISA-N 386.249 4.011 50 40 GIGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1cccc([N+](=O)[O-])c1 409119557 UIXYOUXGURNYPD-UFWORHAWSA-N 398.271 4.285 50 40 GIGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1)c1ccccc1 409227041 XFGGGGSORPRGBJ-UCQKPKSFSA-N 378.815 4.323 50 40 GIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccccc1Cl 627552 ORHWZJFAPBUCKS-QGZVFWFLSA-N 380.831 4.122 50 40 GIGB CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 713511 WACMHYWFIFGZDX-JOCHJYFZSA-N 385.467 4.390 50 40 GIGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 867498 GVVZICBXFBVYCT-IZZDOVSWSA-N 390.168 4.042 50 40 GIGB N#CC1=C(N)Oc2c(c(=O)n(-c3ccccc3)c3ccccc23)[C@H]1c1cccs1 1428549 QCIMUCBMQNRJMK-LJQANCHMSA-N 397.459 4.270 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1-c1ccc(Br)cc1 2301725 LMBADQXBNGIVOR-WSDLNYQXSA-N 397.276 4.016 50 40 GIGB COc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc(OC)c1 2658386 UOQXAESXVLNXQW-ZMOGYAJESA-N 395.434 4.014 50 40 GIGB CCOc1ccccc1[C@H]1C(C#N)=C(SCc2ccccc2)NC(=O)[C@H]1C#N 9329561 XBFVNOPMQNMMRZ-FXAWDEMLSA-N 389.480 4.107 50 40 GIGB CN(C)c1ccc(/C=N\NC(=O)CCn2c3ccccc3c3ccccc32)cc1 33342572 GCJUEKIKPZIMDE-UQQQWYQISA-N 384.483 4.401 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1OCC 408719820 MJCSONJCYJQCKH-HYARGMPZSA-N 384.501 4.034 50 40 GIGB COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1 408843644 MOCJPMWZBZUBGS-XMGIWCJVSA-N 399.450 4.111 50 40 GIGB CCc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(OC)c(Cl)c3)o2)nc1 3209630 AZBAEESFQOKCCC-FSJBWODESA-N 383.835 4.330 50 40 GIGB Cc1ccnc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)c1 409234265 JRFXTYARDKCUCJ-KQWNVCNZSA-N 398.510 4.454 50 40 GIGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCC(C)C 408909893 HUIGPPFFTDYWER-ZMOGYAJESA-N 398.503 4.266 50 40 GIGB CC(C)COc1ccc(/C=N/NC(=O)c2ccccc2)cc1Br 408600293 BENOMJNSYRRBGR-RGVLZGJSSA-N 375.266 4.248 50 40 GIGB CC(C)c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1 1449391 PJGQPZFMPIKXHF-RGVLZGJSSA-N 375.266 4.102 50 40 GIGB Cc1ccccc1N1C(N)=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C1CCCC2=O 716443 XCMNCYXUAHONNL-JOCHJYFZSA-N 399.450 4.029 50 40 GIGB Cc1ccn2c(C(=O)N/N=C/c3ccccc3OCc3ccccc3)c(C)nc2c1 792887 TVNZAOZVRQKHOF-MFKUBSTISA-N 398.466 4.294 50 40 GIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(C)c(C)c2nc1Cl 899062 DTHWSAQTNNSSBE-KRWDZBQOSA-N 397.862 4.150 50 40 GIGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cnn(C)c3C)c3ccccc3n2)c(C)c1 1003417 CQJLEERVPSWZLT-DHRITJCHSA-N 397.482 4.324 50 40 GIGB N#C/C(=C\c1cc(Cl)ccc1O)C(=O)Nc1cccc(Br)c1 4705378 WCQRZWWYRCGIHX-IZZDOVSWSA-N 377.625 4.354 50 40 GIGB CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)/C(=N/NC(C)=O)CC(C)(C)C2 5598513 WFYWZBTYBCIZRR-NLRVBDNBSA-N 393.487 4.046 50 40 GIGB CCOc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 19851723 SFDQKDGOVHWSOR-LAUBAEHRSA-N 388.471 4.078 50 40 GIGB COC(=O)c1ccc(/C=N\NC(=O)c2sc3cc(C)ccc3c2Cl)cc1 35238502 PGUUIMHFZXUVRQ-FBHDLOMBSA-N 386.860 4.414 50 40 GIGB C[C@@H](Cl)CN1COc2ccc3c4c(ccc3c2C1)OCN(C[C@@H](C)Cl)C4 95741640 ZRJNKRBITXKBNC-ZIAGYGMSSA-N 395.330 4.398 50 40 GIGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408955601 YOMFSWCJDRRLHP-YBEGLDIGSA-N 399.878 4.221 50 40 GIGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1 409240777 HVVTZIRYOSJJIM-LGMDPLHJSA-N 379.435 4.370 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(F)cc1 409343023 HHWSNISFGXEEDC-AFUMVMLFSA-N 379.435 4.330 50 40 GIGB O=C(N/N=C/c1ccc(OCCOc2ccccc2)cc1)NC1CCCCC1 4207656 HFKYPGHYQUXDTH-HAVVHWLPSA-N 381.476 4.110 50 40 GIGB CC(C)c1ccc(S(=O)(=O)N(NC(=O)c2ccccc2)c2ccccc2)cc1 5553708 AFTNRQKOWUWENH-UHFFFAOYSA-N 394.496 4.350 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1[N+](=O)[O-] 28217577 FIKSPERWWXPDJT-FSJBWODESA-N 394.406 4.214 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccccc1Br 408773763 XFERXUSJWUOJQR-YBEGLDIGSA-N 386.293 4.288 50 40 GIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1O 4705073 YHGQTJOQENNWEI-QPSGOUHRSA-N 377.149 4.482 50 40 GIGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nc(O)c2c3c(sc2n1)CCCC3 33715578 SQEZPBPVWVXYNP-WQLSENKSSA-N 378.413 4.248 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 59383031 CPBYNOLXHIJYSM-FYJGNVAPSA-N 375.925 4.429 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CC[C@H](O)c3ccccc3)c2C)c1 83311279 XMODERFZYYLHHM-AJPHYDNBSA-N 389.499 4.366 50 40 GIGB COc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccccc1C(=O)O 100372323 YHXCSAXDNGRWMX-XKZIYDEJSA-N 395.286 4.428 50 40 GIGB C[C@H](Cl)CN1COc2ccc3ccc4c(c3c2C1)CN(C[C@@H](C)Cl)CO4 4901386 IIQASYJYGPZJHG-OKILXGFUSA-N 395.330 4.398 50 40 GIGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1 656791 KYPPUCLZTSEMPI-RKPNYOAGSA-N 385.261 4.242 50 40 GIGB COc1ccccc1[C@@H](CCNC(=O)CCl)c1ccc(OC(C)C)cc1 1321531 FGJZBXXCCKUOCC-SFHVURJKSA-N 375.896 4.359 50 40 GIGB biogenic CC1=C(C#N)C(=O)N(C)[C@@H](O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 4513659 SHIIOXVKOVTTNU-ZHJQRIIBSA-N 389.238 4.267 50 40 GIGB CCCN(CCC)c1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1 4663169 GWPUVHGKHBVOEO-DEDYPNTBSA-N 392.297 4.432 50 40 GIGB N#C/C(=C/c1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 33652844 ZTVQORLJSNOPQR-JYRVWZFOSA-N 376.153 4.264 50 40 GIGB Cc1ccc(COc2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2)cc1 35800512 ZGZFEQGEQQXSLM-MYYYXRDXSA-N 376.431 4.406 50 40 GIGB O=P(C(=S)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@H]21)(c1ccccc1)c1ccccc1 575628270 YSKJWRGCOCIJFA-QAGBHRCTSA-N 393.492 4.476 50 40 GIGB Cc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1N1CCCC1 4083498 KVKVQPLYIZPTKB-PCLIKHOPSA-N 387.483 4.278 50 40 GIGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 4953586 GDIPVKWIGWTSEJ-MDWZMJQESA-N 386.205 4.211 50 40 GIGB CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)c1ccccc1 28216623 IQOWZMMFKNGIFY-NMWDDECMSA-N 375.472 4.240 50 40 GIGB Cc1cccc(OCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c1C 30838811 DGMKDHNSVPJYKG-MYYYXRDXSA-N 388.467 4.412 50 40 GIGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 59444389 LZILSCDQLJLVQB-DNTJNYDQSA-N 384.650 4.044 50 40 GIGB C[C@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915639 BXSPCFWJSALCFW-XBESLWPFSA-N 390.612 4.412 50 40 GIGB in-vitro CN(C)c1ccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)cc1 408727649 RDJPHZIUQYQURA-OEAKJJBVSA-N 377.513 4.289 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)Nc1cccc(Br)c1 408851744 FRCKDEVMANDNGE-DEDYPNTBSA-N 387.281 4.205 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 408960678 NQNSRRSABTYXFE-ZVHZXABRSA-N 375.394 4.460 50 40 GIGB Cc1cccc(C2(C(=O)NNc3nc(-c4ccccc4)no3)CCCCC2)c1 1617709007 JRKDOCXUCLYPDR-UHFFFAOYSA-N 376.460 4.390 50 40 GIGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 985277 KVPKORLSMFVLNI-HTAPYJJXSA-N 386.451 4.212 50 40 GIGB COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(C)cc4)CC(=O)N3C2)cc1 2213210 LDDRFPWNGUJANE-IBGZPJMESA-N 391.496 4.223 50 40 GIGB Cc1ccc(N2C(=O)CS/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1 2265804 YBTGEGVUFJDQRW-RGEXLXHISA-N 383.860 4.102 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 2774011 XYVKQVBVTWCGRH-MDWZMJQESA-N 386.205 4.211 50 40 GIGB CC(C)c1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1 5384720 ODMBHNQDFPZOKF-AWQFTUOYSA-N 389.249 4.065 50 40 GIGB Cn1c(Cl)nc(Cl)c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 96316167 JBRHLONGLPFLFC-VMPITWQZSA-N 389.164 4.291 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c1 5747883 JHVUJGWJKRNQET-AWNIVKPZSA-N 385.217 4.032 50 40 GIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(Br)cc1 18143093 LFAILAGZEZVEFQ-VGOFMYFVSA-N 377.245 4.458 50 40 GIGB CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1 19852547 AGQUNNOCKMQUHW-FCHUYYIVSA-N 399.542 4.118 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(C(=O)O)cc1 38200938 MHVCRAJCVAOSRD-CPNJWEJPSA-N 391.471 4.148 50 40 GIGB N#CC1=C(N)Oc2ccc3cc(Br)ccc3c2[C@@H]1c1ccncc1 63111079 PZYQEQYWABXQHZ-QGZVFWFLSA-N 378.229 4.215 50 40 GIGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1C 408589612 MFQCFLPIUKUMDC-HLQTZPMBSA-N 395.890 4.240 50 40 GIGB O=C(CSCc1ccc2ccccc2c1)N/N=C/c1ccc([N+](=O)[O-])cc1 408728104 VMNKKRIYLQPFNN-CIAFOILYSA-N 379.441 4.132 50 40 GIGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccccn3)sc2c1Cl 408969040 GDIKCHAJOLQMIZ-ZBKNUEDVSA-N 380.256 4.376 50 40 GIGB NC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 979558 QGLBVEBPVOKIRW-SSDVNMTOSA-N 398.260 4.184 50 40 GIGB CC(/C=C/c1ccccc1)=N/NC(=O)c1ccc(I)cc1 4702476 RDOHNTAEJXMZNF-NHKRZIQRSA-N 390.224 4.110 50 40 GIGB Cn1ccnc1C(=O)c1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1 68016190 CUXBYBLGUAUTDY-MRXNPFEDSA-N 389.546 4.304 50 40 GIGB biogenic CC1=NN(c2ccccc2)[C@@H]2OC(N)=C(C#N)[C@H](c3ccc(C(F)(F)F)cc3)[C@@H]12 222045298 NZXNSIKKFXMYFR-WSTZPKSXSA-N 398.388 4.351 50 40 GIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1 408897084 VJNMLLIJABJQJU-MHWRWJLKSA-N 395.415 4.184 50 40 GIGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCC 409240956 VTAZPOJNXMPCNM-IWIPYMOSSA-N 384.451 4.044 50 40 GIGB C[C@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1cccc(Cl)c1 654884 JOPHORDUSDXPCL-VSMYLPJWSA-N 380.673 4.053 50 40 GIGB O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1 409257660 UABSAKUWLZHVPH-CIAFOILYSA-N 378.259 4.253 50 40 GIGB CCCCOc1ccc(/C=N/NC(=O)c2[nH]c3c([N+](=O)[O-])cccc3c2C)cc1 2202396 YHDBJHRCRWUVAT-LPYMAVHISA-N 394.431 4.327 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccc(Br)c1 1097853 FKCBRQNDKDCQPC-OAHLLOKOSA-N 393.244 4.057 50 40 GIGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 4699462 QWBUBFNPUUZPOS-UUYOSTAYSA-N 378.259 4.057 50 40 GIGB N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC(=O)C[C@@H]1c1ccccc1 6496148 AFXYTXFFSNOEHW-CQSZACIVSA-N 397.887 4.051 50 40 GIGB C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)o1 25582798 FIFUQGBWLDSGDC-LJROTCBLSA-N 396.244 4.466 50 40 GIGB O=C(O)c1ccc(/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1O 104092249 CVARUTZDRBOEJN-MTJSOVHGSA-N 381.259 4.125 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccccn1 409241356 RQTWFEBKLQFISF-PCLIKHOPSA-N 383.455 4.044 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1O 409248331 PUUNGPCPVMKDLV-BOPFTXTBSA-N 384.863 4.100 50 40 GIGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(Cl)c2)cc1OCC 409324646 VITOZEPCBXWPIO-XKZIYDEJSA-N 390.867 4.300 50 40 GIGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(-c4ccccc4)cc3)ccc21 5701658 JJQSLZUZUQRZMN-UHFFFAOYSA-N 398.466 4.106 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(C(C)(C)C)cc1 408782560 KDWPDPIZHJADCH-HKWRFOASSA-N 391.515 4.157 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=CCCC[C@H]2[C@H]1c1cccc2ccccc12 22000864 XGDGFATYQMYRDA-LFAGZIFBSA-N 397.478 4.473 50 40 GIGB CCOC(=O)c1sc(NC(=O)c2ccc(N(C)C)cc2)c(SC#N)c1C 4059524 RNGMQFRDMQSHIW-UHFFFAOYSA-N 389.502 4.125 50 40 GIGB C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(C2CCCCC2)cc1 5494597 HVVUENLFTKSABM-ZVHZXABRSA-N 392.425 4.490 50 40 GIGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1C[C@@H]1c1ccccc1 5519764 STRMEKCWSKYVMT-FNTCUZDCSA-N 375.384 4.109 50 40 GIGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccccc1 8534189 LBFDRAUGVFMWPK-SJPXOZHESA-N 386.407 4.429 50 40 GIGB O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2cccc3ccccc23)cc1 9260288 YNNXMEOATXTLQU-BUVRLJJBSA-N 383.407 4.093 50 40 GIGB C/C(=N\NC(=O)c1ccc(O)cc1O)c1ccc2c(c1)Nc1ccccc1S2 17079914 FBSSXRDEMCAWNW-FSJBWODESA-N 391.452 4.460 50 40 GIGB CCOc1ccc(SCC(=O)NNc2c(F)c(F)c(F)c(F)c2F)cc1 19598268 JDJOUZIFEDBZKY-UHFFFAOYSA-N 392.349 4.016 50 40 GIGB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4O[C@@H]4[C@@H](Cl)[C@H]3[C@@]1(Cl)C2(Cl)Cl 254047521 ZXFXBSWRVIQKOD-OGZPZZBISA-N 389.320 4.453 50 40 GIGB in-vitro CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3ccccc3)c2C)c1 408781545 BLJRUVVHFPODGW-MYYYXRDXSA-N 389.499 4.494 50 40 GIGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1O 408855517 DYCOIKFVXMHBPT-NHDPSOOVSA-N 399.244 4.393 50 40 GIGB C#CCn1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 408947632 CSTQBAAYYPDHQT-RGEXLXHISA-N 392.462 4.022 50 40 GIGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1Cl 409128218 ISYNVLUMBIHHSY-INIZCTEOSA-N 392.286 4.122 50 40 GIGB O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccs1 5636847 DAPQVYAJLUYBRU-PYCFMQQDSA-N 395.871 4.082 50 40 GIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1C 9614433 BGXSFXBNTZAAMV-MFKUBSTISA-N 388.467 4.412 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccccc1C#N 13586189 NQPZCOAQHWNYQS-CVKSISIWSA-N 399.450 4.218 50 40 GIGB CCN1C=C(Cc2cccs2)C2=C(C1)[C@@H](c1cccs1)C(C#N)=C(N)O2 19827718 YUQLCFIENJIYEV-SFHVURJKSA-N 381.526 4.333 50 40 GIGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 59459577 WOMACLGYLWTLDP-UFFVCSGVSA-N 378.259 4.206 50 40 GIGB O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1Cl 84539031 UZHGOFOEJJIZOG-HIXSDJFHSA-N 389.842 4.021 50 40 GIGB Cc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 408962276 XYAKKYZHZUQWNU-QNGOZBTKSA-N 398.510 4.342 50 40 GIGB C#CCn1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)c2ccccc21 409187349 PGKNWMJBRFBEOH-OYKKKHCWSA-N 385.423 4.183 50 40 GIGB O=C(/C=C/c1cccc(C(F)(F)F)c1)NNC(=O)c1cc2c(s1)CCCC2 3420177 UTZAHNGRSHWORL-CMDGGOBGSA-N 394.418 4.120 50 40 GIGB CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)c1ccccc1 28216629 XHNBLXQRQSSOAZ-VCOZGABYSA-N 375.472 4.240 50 40 GIGB CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OCc1ccccc1 30735212 BAZQTLYNBMVLIH-QFEZKATASA-N 389.455 4.132 50 40 GIGB COc1cccc(-c2ncnn2C2=C(C#N)[C@H]3CCCCC[C@H]3S2)c1OC 5019069 BFMYFHPWNWDPDO-CXAGYDPISA-N 382.489 4.350 50 40 GIGB COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(Br)cc1 12371503 PYWCWOHIVPRXIX-MTJSOVHGSA-N 383.245 4.375 50 40 GIGB CCOc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 5475307 VZEFLFDSYQWIOU-CIAFOILYSA-N 381.259 4.311 50 40 GIGB O=C(N/N=C/c1ccco1)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 9089374 AMAMBVNSPBHKJT-OEAKJJBVSA-N 386.411 4.013 50 40 GIGB O=P(c1ccccc1)(c1ccccc1)[C@@H](O)c1ccc(Br)cc1 655499 DDWOQSFSKYOBEF-LJQANCHMSA-N 387.213 4.454 50 40 GIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc2c1CC[C@@H](C)C2 942690 BDYIAVDABYBAIH-WDGDVPDHSA-N 380.469 4.205 50 40 GIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1 6022575 WBHNXEYADSXRQK-WSDLNYQXSA-N 381.819 4.322 50 40 GIGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 15932214 YGPHHJCBNWLUNA-QRVIBDJDSA-N 390.443 4.383 50 40 GIGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 59109157 CKRAEWDNJZFKLB-BOPFTXTBSA-N 396.399 4.043 50 40 GIGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 59367086 AGYLEJYIBYMXGK-XQNSMLJCSA-N 388.427 4.056 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408992262 RCCVYWHBPIWDEE-KEBDBYFISA-N 386.795 4.013 50 40 GIGB CCOc1ccc(OC)cc1/C=N/NC(=O)COc1cc(C(C)C)ccc1C 2756942 NDAJGYYHYXEYTG-YDZHTSKRSA-N 384.476 4.055 50 40 GIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)cc1OC 4735413 BJCDOBUIGJQGNY-YDZHTSKRSA-N 398.846 4.310 50 40 GIGB C/C(=N\NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccc(C#N)cc1 5835855 GWWJKRKSNBHIDP-NLRVBDNBSA-N 399.450 4.056 50 40 GIGB CCCCc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c(OC)c2)cc1 6481252 AJAQCKPKWWXTRM-BOPFTXTBSA-N 380.444 4.298 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 408739961 CAZJUKYDKFKYSU-RGVLZGJSSA-N 393.668 4.431 50 40 GIGB CCOc1ccc(CC(=O)N/N=C/c2c(OCC)ccc3ccccc23)cc1 10475852 ZITFPDOSRAMXGI-LFVJCYFKSA-N 376.456 4.330 50 40 GIGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1cccnc1 8651921 XMCKIJJZPDULJN-WCIBSUBMSA-N 380.039 4.376 50 40 GIGB C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(Br)s1 706638 NCMZIEQXJALXRG-YFEDRJBBSA-N 387.686 4.082 50 40 GIGB CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc4ccccc4c3O)ccc21 104711213 ASMSDHFNMPXYRQ-AFUMVMLFSA-N 386.455 4.377 50 40 GIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 3150146 OKCNMXWJGDKDTF-MFKUBSTISA-N 388.467 4.412 50 40 GIGB O=C(N/N=C/c1ccc(Br)o1)C(c1ccccc1)c1ccccc1 409390281 CGIUCMCLLDZGEY-FYJGNVAPSA-N 383.245 4.324 50 40 GIGB CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OC 8846180 ZPMCQNBMTXHQNX-NRFANRHFSA-N 379.460 4.065 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 9190140 OGGZJFMFBSMQJW-CIAFOILYSA-N 399.244 4.482 50 40 GIGB CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(C)C)c(OC)c1 97990557 KMJGGHIGEQNDRH-ATVHPVEESA-N 380.444 4.427 50 40 GIGB C/C(Cc1ccccc1)=N\NC(=O)CSCc1cccc(Br)c1 20248540 SGSCJQSDDVZPOC-XSFVSMFZSA-N 391.334 4.417 50 40 GIGB N#C/C(=C\c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 948092 LPTFWJUSTXTEIZ-OQLLNIDSSA-N 382.666 4.441 50 40 GIGB O=C(CSc1nc2ccccc2s1)N/N=C/C=C\c1ccccc1[N+](=O)[O-] 6132870 UUMWRNYWBLHSBX-PJOPPIIISA-N 398.469 4.112 50 40 GIGB CCOC(=O)N/N=C/c1cn(CCCOc2ccc(C)cc2)c2ccccc12 2298226 AYSNRNQSZBVSDS-HZHRSRAPSA-N 379.460 4.499 50 40 GIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 409100096 USRBESIDUNOKRP-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB C/C(=N\NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(F)cc1 14357440 QBRXRUYYABHPON-WGOQTCKBSA-N 387.414 4.284 50 40 GIGB COc1cccc(C(=O)N/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)c1 208213336 UETMHUUZECRHNS-HUSFYUSLSA-N 379.504 4.490 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 59953210 AWMRERDAXFXGCY-OAQYLSRUSA-N 390.414 4.219 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1OCC 20197978 AVNLHKDLEXSFOJ-XQNSMLJCSA-N 382.460 4.203 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)[C@H](O)c1ccccc1 919071 LCVHEZVPLSMYGO-NMONLQQWSA-N 389.238 4.437 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccccc1Cl 59334423 CNLRIHSUSNPUPG-BOPFTXTBSA-N 384.863 4.313 50 40 GIGB CN(C)c1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1878979 OUIVOQWBUPVJKN-LPYMAVHISA-N 394.302 4.369 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1OCC 14185894 PIMYBRIHIBBRAZ-HYARGMPZSA-N 386.517 4.425 50 40 GIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OC)c(Cl)c2)cc1 408810491 JFVDHIHAUJDCQV-AUWJEWJLSA-N 391.254 4.234 50 40 GIGB CC[C@@H](C)Oc1ccccc1/C=N\NC(=O)c1cc(Br)ccc1O 408600239 APOGBQVFRQQOGT-WXYNYTDUSA-N 391.265 4.096 50 40 GIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1 408884838 YNOYLONWLJTXOG-AFUMVMLFSA-N 392.430 4.486 50 40 GIGB Fc1c(Br)ccc(CBr)c1I 98210420 MAOQTNYHRWOVNS-UHFFFAOYSA-N 393.819 4.088 50 40 GIGB COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1cccc2ccccc12 3254319 ITJPTBHPLRYJSY-RQZCQDPDSA-N 392.842 4.473 50 40 GIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1 38650260 ONLDRHRBEZJVJJ-QFIPXVFZSA-N 398.418 4.133 50 40 GIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 59473499 BBSGITPWXGNRCD-ZGXHQARYSA-N 377.853 4.269 50 40 GIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(C(=O)O)c2)c1 96473591 NYKKSVLRIOJTGP-AQTBWJFISA-N 385.423 4.338 50 40 GIGB CN(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1S(=O)(=O)c1ccccc1 195754090 UNGGPAGSTQGZOJ-NVXWUHKLSA-N 381.614 4.069 50 40 GIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC 207856104 KRNXYVKIYBXYDB-JXAWBTAJSA-N 390.439 4.042 50 40 GIGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccc(I)c1 408788909 GKJJASOWWBHNPN-VCHYOVAHSA-N 398.631 4.099 50 40 GIGB COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccccc1C(F)(F)F 1426968 BVFKYZQRWSSXAR-CYBMUJFWSA-N 394.374 4.080 50 40 GIGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1c(Cl)cccc1Cl 5020860 OEBKIELMTNVTFY-JXMROGBWSA-N 392.198 4.456 50 40 GIGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 6179623 MQQVISFTKKLDLN-XTPUDKEYSA-N 380.831 4.462 50 40 GIGB COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cc2ccccc2[nH]c1=O 27542659 BKQYZKCRELQOJY-OQLLNIDSSA-N 393.830 4.044 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 28217554 HSBROOJRKFCGOG-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(C)cc2)cc1 59488261 TYQPMVZEVBRULB-BUVRLJJBSA-N 387.439 4.020 50 40 GIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1cccc2ccccc12 408588873 KHUFKPDPZVMACR-RGVLZGJSSA-N 398.216 4.274 50 40 GIGB O=C(N/N=C/c1cc2ccc([N+](=O)[O-])cc2nc1Cl)c1ccccc1Cl 408728692 RLPNEDGFIWKRHT-AWQFTUOYSA-N 389.198 4.214 50 40 GIGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(OC)cc2)c1C 408963935 BGJNLHULBGYXBK-BUVRLJJBSA-N 375.472 4.429 50 40 GIGB N#C[C@H](C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 409196432 VDNFOKNGPXTKPL-WGLQLPMYSA-N 387.414 4.162 50 40 GIGB CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 4503856 VJLNRRKBIHUEGG-JYRVWZFOSA-N 375.211 4.464 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2O)cc1 4710513 KGBRLUJBFKWFDN-GHRIWEEISA-N 379.460 4.183 50 40 GIGB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409239444 MTPVLDIIIRBFJT-JFVYAULHSA-N 392.858 4.358 50 40 GIGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(N(C)C)o2)c1 409001927 XZQBIXLWLFMUIC-UHFFFAOYSA-N 384.867 4.170 50 40 GIGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 408598527 CJFXDEARRCEKAB-HYARGMPZSA-N 377.400 4.301 50 40 GIGB Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)c1ccc(-n2cccc2)cc1 35146031 UNMBVGHWYCTKRL-XYGWBWBKSA-N 390.462 4.289 50 40 GIGB CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=CCCC[C@H]2[C@H]1c1cccc2ccccc12 22000869 XGDGFATYQMYRDA-QFZWGZQFSA-N 397.478 4.473 50 40 GIGB CC1=C(C)[C@@H](OCCCl)N(C(C)(C)c2cc(O)c(Cl)cc2F)C1=O 199414041 WRRUDKUIUMILIN-MRXNPFEDSA-N 376.255 4.180 50 40 GIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2ccccn2)c1C 409244047 WSYUGPWIFNIVCJ-ZDLGFXPLSA-N 392.466 4.498 50 40 GIGB O=P(C[P@](=O)(O)CCc1ccccc1)(c1ccccc1)c1ccccc1 2350630 OWBOZERLUUBWCX-UHFFFAOYSA-N 384.352 4.471 50 40 GIGB CC(C)(C)c1ccc(OCCn2cc(/C=N/NC(N)=O)c3ccccc32)cc1 4083350 NGSDEBVPLYZXLH-ZVHZXABRSA-N 378.476 4.020 50 40 GIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2c[nH]c3ccccc23)n[nH]1 5249136 UUZYIZMFEGPSFX-DHRITJCHSA-N 395.422 4.181 50 40 GIGB C[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 15792540 KNNVHKYYRDCQLA-SWLSCSKDSA-N 397.525 4.006 50 40 GIGB O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H]1c1nnc2ccccn12 29079670 CAWKTKJOMYYDPY-CABCVRRESA-N 376.551 4.107 50 40 GIGB biogenic N#C/C(=C/c1ccccc1OCC(=O)O)C(=O)Nc1cc(Cl)cc(Cl)c1 40161146 LBYRBQIQTNDUIL-XGICHPGQSA-N 391.210 4.002 50 40 GIGB Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)N(C)C)c1 59334947 IOVGZGOTHYVVOM-YVLHZVERSA-N 399.288 4.332 50 40 GIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408819007 ZLLXZVMBOSPFNO-RONKMWSCSA-N 382.467 4.383 50 40 GIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)cc1OC 946972 PCZSZNJROHFGJD-GXDHUFHOSA-N 379.441 4.249 50 40 GIGB Cc1c(/C=N/NC(=O)c2ccccc2O)c2ccccc2n1Cc1ccccc1 3170531 OITNHATUDOHWST-MFKUBSTISA-N 383.451 4.468 50 40 GIGB COc1ccccc1/C=N/NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 19818073 PFEIYRFDNJVMGW-WGOQTCKBSA-N 399.494 4.017 50 40 GIGB CC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(C)cc2s1 20132228 TWMACCCZMIYPQT-SSDOTTSWSA-N 392.116 4.479 50 40 GIGB CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)c1ccccc1 28216632 XHNBLXQRQSSOAZ-NMWDDECMSA-N 375.472 4.240 50 40 GIGB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NNc3ccccc3)cc12 70716306 BUKRQKOPTSKDNR-UHFFFAOYSA-N 380.448 4.351 50 40 GIGB BrCc1ccc(CBr)c(I)c1 97947771 HQIAQKKFLSHREB-UHFFFAOYSA-N 389.856 4.081 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br 409240707 HOFXLTMYGQUPIS-ATVHPVEESA-N 399.288 4.114 50 40 GIGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(-c2ccccc2)cc1 1307582 UOUWHFHWIZUHMV-OEAKJJBVSA-N 386.480 4.472 50 40 GIGB CCc1ccc(NC(=O)/C(C#N)=C2\S[C@H](C)C(=O)N2c2ccccc2)cc1 4539974 TVDDZJYRNAZNEV-WVCJAJDESA-N 377.469 4.091 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1C 6301230 HBILHKDUHCVIMC-JVWAILMASA-N 397.478 4.447 50 40 GIGB Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccnc4ccccc24)C(C#N)=C(N)O3)c(C)c1 8382704 TZSCTZWTLUAOHX-FQEVSTJZSA-N 393.450 4.460 50 40 GIGB CCC[C@H](Br)C(=O)Nc1nc2ccc(N3CCCC3)cc2s1 20132795 YCRXGFMJJNPDLB-LBPRGKRZSA-N 382.327 4.399 50 40 GIGB COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Sc1ccccc1 408719620 HXMFCHJFIBROSL-ZGXHQARYSA-N 393.306 4.089 50 40 GIGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc2ccccc2c1 408895551 LDGQNYPHZXUJCQ-UFFVCSGVSA-N 397.228 4.095 50 40 GIGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)cs1 18173285 TYZQHMOYJPIDKH-AWQFTUOYSA-N 388.290 4.226 50 40 GIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1 38536878 YNECNARHPGAGNC-SDNWHVSQSA-N 385.851 4.478 50 40 GIGB CCOc1ccc2ccccc2c1C=NNC(=O)COc1ccc(C)cc1C 245241389 CLHHQCUDKHNFKG-UHFFFAOYSA-N 376.456 4.384 50 40 GIGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)Nc2ccccc2Cl)cc1 408847715 ODGFEQBJMXDERG-HMAPJEAMSA-N 381.867 4.352 50 40 GIGB C/C(=N\NC(=O)CCc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 409111678 BLRXNWDFVLYKNT-NLRVBDNBSA-N 385.467 4.412 50 40 GIGB Cc1ccc(COc2ccccc2[C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 409146314 SKPQSMCLSRHINI-QHCPKHFHSA-N 384.435 4.498 50 40 GIGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)[C@@H](O)c1ccccc1 409360626 PAAODFJYLFPHDH-GQBLCDNYSA-N 394.858 4.103 50 40 GIGB N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 1431063 QUHCKRXUPNKJQZ-FSJBWODESA-N 379.803 4.001 50 40 GIGB O=C(N/N=C1/CCc2ccccc21)c1ccccc1OCCOc1ccccc1 38330761 UYFSMHXLBZHKSO-LVWGJNHUSA-N 386.451 4.225 50 40 GIGB Cc1cc(-c2n[nH]c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)c(C)s1 5130118 JPYLTTMXIOKIIV-KRWDZBQOSA-N 387.468 4.455 50 40 GIGB CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=N/NC(N)=O)cc1OC 6440500 NSWUNXWEDNGLOG-DTVDJLOLSA-N 399.491 4.059 50 40 GIGB C=CCn1c(C)c(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c2ccccc21 876114 CFBXXMGTXIPDIC-RGEXLXHISA-N 385.467 4.368 50 40 GIGB C/C(=N\NC(=O)COc1cccc(C)c1)c1ccc(N2CCCCCC2)cc1 6299962 DVOVYKVVGBUXQD-LYBHJNIJSA-N 379.504 4.295 50 40 GIGB C/C(CC(=O)Nc1cccc(Cl)c1)=N\NC(=O)Cc1ccc(Cl)cc1 100059480 MHTIBYNENVYTNM-WSDLNYQXSA-N 378.259 4.057 50 40 GIGB CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 408813433 QIYRPCPMYINFMN-BRFSQIRFSA-N 394.427 4.015 50 40 GIGB N#CCn1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c2ccccc21 1102994 NPGSPGQSGQMYDH-FOKLQQMPSA-N 376.803 4.328 50 40 GIGB COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)(C)C)c21 806505 PNQUYOUQFXHBRD-LBPRGKRZSA-N 393.274 4.241 50 40 GIGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1c(Cl)cccc1Cl 6209928 OFKSJSIEXSAVAW-XYOKQWHBSA-N 391.210 4.002 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1ccc(O)cc1 6570856 MGRAKPAFVFQXGQ-BUVRLJJBSA-N 385.423 4.109 50 40 GIGB O=C(Cc1cccs1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 8326419 GNUVAPXCNLTJRH-VXLYETTFSA-N 389.820 4.263 50 40 GIGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1[N+](=O)[O-] 36622908 CZUOEZNHEKTQBK-ZVHZXABRSA-N 398.422 4.362 50 40 GIGB CC(=O)OC/C=C(\C)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104354555 JLMPCUCBZFQRJL-DYTRJAOYSA-N 390.463 4.222 50 40 GIGB CCO[C@]1(C(=O)Nc2ccc(OCCBr)cc2)CCC[C@@H](C)C1 225714313 YQQBYRVDITUJJT-RDTXWAMCSA-N 384.314 4.384 50 40 GIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N(C)C)c(Br)c1 408744007 JCWXTBPRDZMDFT-GDNBJRDFSA-N 384.277 4.369 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccccn34)c2C)cc1C 408773702 IVIGWWBZVAZNMJ-AFUMVMLFSA-N 399.498 4.431 50 40 GIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl 408897625 ZAYQYSJUSZPHEQ-IZZDOVSWSA-N 392.198 4.456 50 40 GIGB O=C(CSc1cccc2cccc(Cl)c12)NNC(=O)c1ccccc1F 2631145 XFIZZOCSNGGWDR-UHFFFAOYSA-N 388.851 4.186 50 40 GIGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccccc1-n1cccc1 107701927 XITFHVBXWARDAR-PCLIKHOPSA-N 390.462 4.289 50 40 GIGB COc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)cc1 12401540 KIWUVHPRDYLCIB-JLPGSUDCSA-N 390.487 4.438 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2cccc(C#N)c2)c(C)c1 20194945 IYXLBJAWZVLPIO-JVWAILMASA-N 397.478 4.447 50 40 GIGB O=C(N/N=C/c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1 3470467 BGLVLDPFTLOEFZ-NLRVBDNBSA-N 380.447 4.226 50 40 GIGB C/C(=N\NC(=O)[C@H](C)Nc1c(C)cccc1C)c1ccc(Br)cc1 5048283 JUERJQTYKYMSCF-WXUSHSQQSA-N 388.309 4.407 50 40 GIGB N#C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 409196431 VDNFOKNGPXTKPL-QVGKIPNLSA-N 387.414 4.162 50 40 GIGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1ccccc1C#N 408956909 RSRRLVRWVQXGEZ-CDKJSTAOSA-N 387.483 4.414 50 40 GIGB CCOc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)c(OCC)c1 409264120 OUAIBZFUWQSLMA-LFVJCYFKSA-N 376.456 4.330 50 40 GIGB Cc1cc(C)c2cc([C@H]3C(C#N)=C(N)Oc4cc(N)ccc43)c(Cl)nc2c1 899602 QDPIBKRGPIMYQS-IBGZPJMESA-N 376.847 4.305 50 40 GIGB O=C(CBr)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 1453224 ZAVGCKMSCUAUEZ-UHFFFAOYSA-N 380.094 4.374 50 40 GIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 1810758 CHMWZWOCYAAXCA-VMEIHUARSA-N 398.488 4.114 50 40 GIGB O=C(N/N=C/c1cn(CCCOc2ccccc2)c2ccccc12)c1ccncc1 4092238 SYCBZOTYFYMFON-YZSQISJMSA-N 398.466 4.269 50 40 GIGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 4839074 KAXVTCNCGBLNGD-IBGZPJMESA-N 388.423 4.190 50 40 GIGB CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)cc1[N+](=O)[O-] 5334518 MXFVQJDKRMGQFM-QGZVFWFLSA-N 392.440 4.094 50 40 GIGB CC(C)[C@H](Br)C(=O)Nc1nc2ccc(N3CCCC3)cc2s1 20133508 HSVXBOCGDRMREA-AWEZNQCLSA-N 382.327 4.255 50 40 GIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br 408794369 IWXXXUWRVCWRFF-UKTHLTGXSA-N 387.233 4.099 50 40 GIGB O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1ccccc1F 409010440 DXYNEPXUEVURQR-CIAFOILYSA-N 386.224 4.143 50 40 GIGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)C)c2C)ccc1Br 4705363 GGKWRSREADOPLS-MHWRWJLKSA-N 386.293 4.160 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2C(=O)O)o1)Nc1ccccc1 5647421 ZNKAQCGGIFMLAZ-SRZZPIQSSA-N 383.791 4.454 50 40 GIGB COc1ccc(-n2cccc2/C=N\NC(=O)c2ccc(-n3cccc3)cc2)cc1 408952216 LLNSRZAMQDNLAL-ULJHMMPZSA-N 384.439 4.041 50 40 GIGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)NC1CCCC1 409190592 SOQKXKDYSALZAF-XFXZXTDPSA-N 385.807 4.474 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc2c1CCCC2 2708513 OWPQDJSIZGQZNY-SDNWHVSQSA-N 398.459 4.488 50 40 GIGB Cc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1 5180848 BRBYUSKVZCYSJP-RGVLZGJSSA-N 393.487 4.158 50 40 GIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3OC)c2C)cc1 9886619 RREQAXLZSRZWGP-BUVRLJJBSA-N 391.471 4.265 50 40 GIGB CN1/C(=C(\C#N)C(=O)CSc2ncc(-c3ccccc3)o2)Nc2ccccc21 103950408 WUTBSDJGEUAYCS-HMMYKYKNSA-N 388.452 4.300 50 40 GIGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408797089 FWKRNGXSCWJBQB-NTEUORMPSA-N 386.835 4.389 50 40 GIGB N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Cl)c1)C(N)=O 408872498 FKIWBLOWTBVHAB-VGOFMYFVSA-N 375.653 4.086 50 40 GIGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1ccccc1Cl 101514048 PWSCYQGVASQMET-QINSGFPZSA-N 391.814 4.375 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccccc1F 59297318 AFWLLXGPAILENY-WQRHYEAKSA-N 382.435 4.235 50 40 GIGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1cc2ccccc2nc1Cl 4870935 IYYJBJWYQMCHRJ-QGZVFWFLSA-N 399.841 4.496 50 40 GIGB COc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccccc3Cl)sc2c1 5880389 HCVOXXCULPBQDP-UHFFFAOYSA-N 395.267 4.292 50 40 GIGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 20247970 TXTSDXCGGZIRNR-XDHOZWIPSA-N 377.853 4.271 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)o1 408722336 HIVSWFYIVRKKEL-OSTGQTKBSA-N 381.432 4.440 50 40 GIGB CNC(=O)/C(C#N)=C/c1cn(CCOc2ccccc2Cl)c2ccccc12 872775 MRHLMNFDIBXUPJ-NTCAYCPXSA-N 379.847 4.027 50 40 GIGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 11287678 OYDLEZZSEQUOTL-AOOKUXKSSA-N 378.428 4.247 50 40 GIGB C/C(=N\NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(C)C)cc1 4724081 LKNAGEQBGCEJOT-FYJGNVAPSA-N 389.839 4.291 50 40 GIGB O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 59471507 MOLPPKIPYGFHDG-CIAFOILYSA-N 399.244 4.238 50 40 GIGB Cc1sc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)c(C#N)c1C 408996192 ORRXHAFOFKQPGR-CFRMEGHHSA-N 390.512 4.337 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2OC)cc1 409229710 UAKPEMUNDGSVLO-JXAWBTAJSA-N 391.471 4.240 50 40 GIGB Cc1cccc(COc2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2)c1 409250320 QNWSLSZYXKLLPY-MYYYXRDXSA-N 376.431 4.406 50 40 GIGB CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 1570003335 YWRGNRUKHBYFTD-HCQRGIECSA-N 392.898 4.092 50 40 GIGB O=C(N/N=C1\CCCc2ccccc21)c1ccc(NC(=O)c2ccccc2)cc1 12375926 HZTMPKMHYBNZPA-XTCLZLMSSA-N 383.451 4.409 50 40 GIGB Cc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc5c(c4)OCO5)cc3C2)cc1 83318409 XTBAYPBBVPRIQJ-ROTLSHHCSA-N 399.450 4.008 50 40 GIGB Cc1cc(C)c(C(=O)OC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C)N3)cc1C 102625188 KHJWUTFDVWLNEL-SWLSCSKDSA-N 395.381 4.113 50 40 GIGB CC(C)Oc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 408876972 RLRCJFCZFMCGCA-UFFVCSGVSA-N 381.259 4.310 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@H]3[C@H]4CCCC[C@@]34C)o2)c1 4866055 JCPFIUFXGRGHTH-YAAMAKCGSA-N 380.444 4.010 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@H]3[C@@H]4CCCC[C@]43C)o2)c1 100181973 JCPFIUFXGRGHTH-UQCOMZBSSA-N 380.444 4.010 50 40 GIGB CCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 948126 STPHDRSVPIWLQC-MHWRWJLKSA-N 377.849 4.086 50 40 GIGB CC[C@H](Br)C(=O)Nc1nc2c(Br)cc(C)cc2s1 20132231 TWMACCCZMIYPQT-ZETCQYMHSA-N 392.116 4.479 50 40 GIGB CC(C)COc1ccc(/C=N/NC(=O)COc2ccc3c(c2)CCCC3)cc1 4544324 PVCJSRYCYVJWEC-ZVHZXABRSA-N 380.488 4.129 50 40 GIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC(C)C)cc2)c1 409187247 NYGOIBPEBPKEQK-UNOMPAQXSA-N 392.455 4.180 50 40 GIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)CC(=O)N2)cc1 9088772 FBRMDULZRHYFNK-SFHVURJKSA-N 391.496 4.014 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccc(Cl)c(Cl)c1 96563332 UAIZWWVSBDNBPX-HNNXBMFYSA-N 397.217 4.134 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C 208211618 VHTGEHYVAUWVPK-HUSFYUSLSA-N 379.504 4.490 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1OC 1021193 BOYIYNQMNCKMLW-XQNSMLJCSA-N 384.476 4.055 50 40 GIGB C/C(=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1cccc(O)c1 1469516 IFOZBTVGLRCYFH-JLPGSUDCSA-N 375.472 4.156 50 40 GIGB CCc1ccc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)s1 5556996 UAZYVUWGJZCQNU-XQNSMLJCSA-N 378.497 4.087 50 40 GIGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 7746854 OFTXULFTLLGJHL-LFIBNONCSA-N 395.256 4.315 50 40 GIGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4ccccc4o3)c2)C1 45887410 ZEULNJIFWPPPJE-SNVBAGLBSA-N 375.211 4.267 50 40 GIGB N#C/C(=C\c1cc(Cl)ccc1OCC(N)=O)c1ccc(Br)cc1 408579583 IDSFTMAWAPKIPE-NTUHNPAUSA-N 391.652 4.031 50 40 GIGB CC(C)COc1ccccc1/C=N/NC(=O)c1cccc(Br)c1 408601940 MHNVCRUAVXGFDW-RGVLZGJSSA-N 375.266 4.248 50 40 GIGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1C 32138874 JHXHTUMJTQBSSR-MVDPLZLPSA-N 397.906 4.258 50 40 GIGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(Cl)c(Cl)c1 5670533 BWNDNOAQXOFLGT-CNHKJKLMSA-N 388.048 4.225 50 40 GIGB Cc1ccc(S(=O)(=O)[C@H]2CCC=CCC[C@H]2I)cc1 651219 ATCCHJVUNNNCBZ-CABCVRRESA-N 390.286 4.071 50 40 GIGB Cc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccc(F)cc3)c2)cc1 1054483 AJLDVRUELJEYKQ-ZVHZXABRSA-N 375.403 4.150 50 40 GIGB Cc1ccc(C(O)(C(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(C)cc2)cc1 2304023 KYLSLUCOIYMJFA-MFKUBSTISA-N 392.886 4.343 50 40 GIGB CCCc1n[nH]c2c1[C@@H](c1c(Cl)noc1C)C(C#N)=C(N)N2c1ccccc1 5488475 ZKANRVHDPPUVIP-MRXNPFEDSA-N 394.866 4.290 50 40 GIGB C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1cccc(NC(=O)C2CC2)c1 5885232 YYTCNNGMFDOMGD-QFEZKATASA-N 387.439 4.048 50 40 GIGB CN(/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OCc1ccccc1 8091058 MQAIHOXWWASKGA-FYJGNVAPSA-N 379.372 4.457 50 40 GIGB CCOC(=O)CCCc1ccc(/C(C)=N\NC(=O)c2ccc(Cl)cc2)cc1 12413314 OKLLSMIVNCOUOQ-HAHDFKILSA-N 386.879 4.380 50 40 GIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 13425333 YARMGMQZIBTUFM-HKWRFOASSA-N 386.499 4.280 50 40 GIGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 100302616 RGQYIHWAELFPRT-NFUMRCFGSA-N 385.395 4.270 50 40 GIGB N#C/C(C(=O)CSc1nccn1-c1ccccc1)=C1\Nc2ccccc2S1 104487869 HCWYSYGCKSKTJO-CYVLTUHYSA-N 390.493 4.486 50 40 GIGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2c(C)c(C)cc(C)c32)cc1 226762883 RCHMXVPZIDGBEJ-IBGZPJMESA-N 386.451 4.499 50 40 GIGB C/C(=N\NC(=O)c1ccc(I)cc1)c1ccc(C)cc1C 408711792 KPGDBXRKDDWHBD-CPNJWEJPSA-N 392.240 4.062 50 40 GIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(OC)c1 409233164 RHIWMXJDOABIOY-PGMHBOJBSA-N 391.515 4.197 50 40 GIGB O=C(NNC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1cccs1 2649636 QZFRMTKZXKRISB-UHFFFAOYSA-N 385.495 4.161 50 40 GIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C#N)cc1OC 5409325 YAOJGUDRZKFTAY-LDADJPATSA-N 375.428 4.291 50 40 GIGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 5793681 ROGALPMMUWVONF-LGMDPLHJSA-N 380.444 4.428 50 40 GIGB COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 7065828 QQWLTLWTTIYYCI-JYRVWZFOSA-N 376.334 4.268 50 40 GIGB O=C(NNC(=O)c1cccs1)c1ccc(-c2cc(Cl)ccc2Cl)o1 15428862 WIJLQBUYIQBHNU-UHFFFAOYSA-N 381.240 4.390 50 40 GIGB CCN1C(c2ccc(F)cc2)=CS/C1=C(\C#N)c1nnc2n1CCCCC2 15906580 JFVUDXKWJOEWNA-CAPFRKAQSA-N 381.480 4.403 50 40 GIGB COc1ccc(C(=O)N/N=C\c2ccc(OC)c(COc3ccccc3)c2)cc1 15934262 DKQDIBFZSZQGCC-IWIPYMOSSA-N 390.439 4.047 50 40 GIGB CCOc1ccc([C@@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1 20237990 FVDKTSQPLUQKQF-IBGZPJMESA-N 397.544 4.433 50 40 GIGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 33763792 WOZZASBOOIEZKX-LGMDPLHJSA-N 380.444 4.428 50 40 GIGB CN(C)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C1S(=O)(=O)c1ccccc1 195842007 UNGGPAGSTQGZOJ-DOTOQJQBSA-N 381.614 4.069 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc(OC)c1O 408810999 NFTQBMDJEXUZME-OQLLNIDSSA-N 398.846 4.337 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc3ncccc3c2)c1C 408966337 LTAYULXFVUJGIW-CVKSISIWSA-N 398.466 4.415 50 40 GIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C)cc1C 950108 CLHHQCUDKHNFKG-ZVHZXABRSA-N 376.456 4.384 50 40 GIGB CN(C)c1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1 1499230 GCJUEKIKPZIMDE-KOEQRZSOSA-N 384.483 4.401 50 40 GIGB COc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccc(F)cc1 3330287 VTOAMXPFNAAAIR-WSDLNYQXSA-N 384.432 4.239 50 40 GIGB CCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)c3cccnc3)cc2)cc1 5119710 VZFFLLWLMPCSGQ-KOEQRZSOSA-N 389.455 4.213 50 40 GIGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1F 6609752 IIZWSKBNAXPPCN-SRZZPIQSSA-N 380.404 4.210 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1 12572812 QJTSFUBBUUUUDK-KOEQRZSOSA-N 388.467 4.376 50 40 GIGB O=C(NNC(=O)c1ccoc1)c1ccc(COc2ccc3ccccc3c2)cc1 12983598 LLAKZCRHMIRGKU-UHFFFAOYSA-N 386.407 4.087 50 40 GIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2Cl)cc1 13573695 LZCBXXNCFFQUKM-LPYMAVHISA-N 389.908 4.072 50 40 GIGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)c1 33660514 YRAWYFANNNQHGH-ZVHZXABRSA-N 392.455 4.408 50 40 GIGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)C(c1ccccc1)c1ccccc1 226366235 RBWYUKIWNOUXEA-UHFFFAOYSA-N 383.451 4.026 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1 409109448 FBLMAJKAUNDXMZ-LNVKXUELSA-N 393.446 4.458 50 40 GIGB Cc1n[nH]c2c1[C@H](c1cn(Cc3cccc(F)c3)c3ccccc13)C(C#N)=C(N)O2 818733 BDUIJJIJHKQEMF-NRFANRHFSA-N 399.429 4.078 50 40 GIGB COc1ccccc1-c1cc(C(=O)N/N=C/c2ccccn2)c2ccccc2n1 2767762 SSJAKOMYEGNZEK-MFKUBSTISA-N 382.423 4.069 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)cc(Cl)c1O 4721579 RIKPBMJWYCMIRM-SSDVNMTOSA-N 399.834 4.172 50 40 GIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(C)C)cc2)cc1 20246958 SHBURMKUQHQWDT-WSDLNYQXSA-N 386.517 4.114 50 40 GIGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)c1ccccc1 59399100 WGQKEDXTWXEPPH-XDJHFCHBSA-N 389.432 4.244 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H]3[C@H]4CCCC[C@]34C)o2)cc1 100181984 URKVDFDKNZMMSQ-ISCLCDQGSA-N 394.471 4.400 50 40 GIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br 408851516 KWAUPBGFMDPBFX-GXDHUFHOSA-N 399.219 4.146 50 40 GIGB Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1ccc2ncccc2c1 408965105 GOTPMZVEGDJQSW-WGOQTCKBSA-N 382.467 4.335 50 40 GIGB CCOc1ccc(/C(C)=N/NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 409258740 ZXPNZMMDVMAXOW-HZHRSRAPSA-N 391.427 4.230 50 40 GIGB COc1cc(/C(C#N)=C/c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 728713 DFUZQQRTQIZWDQ-KPKJPENVSA-N 389.205 4.439 50 40 GIGB CC(C)[C@H](NC(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 3167898 BVDQIMKLHJREFA-HSZRJFAPSA-N 377.424 4.413 50 40 GIGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc2ccccc12 20248002 BYRFPJPEFVYXFL-CIAFOILYSA-N 379.441 4.132 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1C 33416105 VKMFMDVMOHSQRE-YDZHTSKRSA-N 391.427 4.473 50 40 GIGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1O 408569178 ZISISLMNNNWYOV-WMZJFQQLSA-N 388.196 4.243 50 40 GIGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 408863471 MUVHEHAXULYMFJ-UFWORHAWSA-N 398.271 4.285 50 40 GIGB C=CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)cc1 408997313 NQBMEZNGCOPMRI-UQQQWYQISA-N 387.483 4.352 50 40 GIGB COc1cccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1OC(C)C 409240766 VHEXPUIMROMYJU-HKWRFOASSA-N 378.472 4.138 50 40 GIGB C=CCOc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3o2)cc1 59417055 OBYWNZFIGJIDGC-HYARGMPZSA-N 381.457 4.025 50 40 GIGB CCOP(=O)(OCC)C(C)(C)C/C(C)=N\NC(=O)c1ccc([N+](=O)[O-])cc1 33664337 QOZDQDMPDOKACA-AQTBWJFISA-N 399.384 4.135 50 40 GIGB COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)c1 6803928 BSXNPQXNTDSIQD-IBGZPJMESA-N 391.496 4.223 50 40 GIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 408526282 BLNQAPJPQHNLAQ-JFLMPSFJSA-N 398.466 4.008 50 40 GIGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1OCC 9177976 CMXIYKJQGOIUAL-QGZVFWFLSA-N 396.491 4.113 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 409176111 HQJOPBVFLSHZDV-YDZHTSKRSA-N 391.427 4.473 50 40 GIGB Cc1cc(C)cc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)c1 409135740 QJZPDOSOZANGKM-OAHLLOKOSA-N 397.525 4.076 50 40 GIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(CC(=O)O)c2ccccc12 408983333 LLHJXWJWJJFIQT-ZROIWOOFSA-N 393.830 4.233 50 40 GIGB CCN1c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2[C@@H](C)CC1(C)C 223528495 GGOCXWQCQGVUOH-FVQJWRHTSA-N 394.475 4.471 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCC(C)(C)CO3)cc1 225369766 PHHZTBPBNPIBRN-MHWRWJLKSA-N 378.428 4.038 50 40 GIGB O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1ccc(Cl)cc1Cl 1949170 APDQRNIUMUCHPI-UFFVCSGVSA-N 382.222 4.002 50 40 GIGB CCCN1C(=O)/C(=N\NC(=O)c2sc3ccccc3c2Cl)c2ccccc21 100180614 DVYCOZHIZONVBJ-XLNRJJMWSA-N 397.887 4.445 50 40 GIGB Cc1ccccc1NC(=O)[C@@H]1[C@H]2[C@H]3C[C@H]([C@H](Cl)C3)[C@@H]2ON1c1ccccc1 4940270 KAQDAEQXVSETDF-QZVSPGABSA-N 382.891 4.386 50 40 GIGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 5379881 BPZZXTXNHSOIMT-WYMPLXKRSA-N 391.393 4.092 50 40 GIGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)c1ccc(F)cc1 15013776 DTVYQMKETQPCHJ-NTUHNPAUSA-N 376.181 4.116 50 40 GIGB Cc1cc(C)nc(N2C(O)=C(C#N)[C@H](c3ccccc3)N2C(=O)c2ccccc2)n1 17081256 BYYBATGZAMWQLA-FQEVSTJZSA-N 397.438 4.005 50 40 GIGB N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1ccc(F)cc1 20348341 QLUDBMGLGDPYGW-SFHVURJKSA-N 379.460 4.041 50 40 GIGB Cc1cc(OC2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)nc(C)n1 390826452 LMRBDTVBWYRQFG-QGZVFWFLSA-N 395.594 4.177 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 408599638 XYDRRWYZVIZTKT-HYARGMPZSA-N 377.400 4.301 50 40 GIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC)c(OCC)c2)c1 408746834 WIVALKRTKJJLQM-ATVHPVEESA-N 380.444 4.428 50 40 GIGB COC(=O)Cn1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)c2ccccc21 408786550 KJNPUXCNQWLYCC-YBEGLDIGSA-N 384.439 4.372 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC#N 408982286 DCGUBULLZIMIPI-OQLLNIDSSA-N 381.819 4.105 50 40 GIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc12 6844902 IFDHOBQRXFNHIW-ATVHPVEESA-N 386.407 4.482 50 40 GIGB CCCCSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C2=C(CCCC2=O)N1 13284560 XGSLVADBKLYZSL-LJQANCHMSA-N 384.501 4.363 50 40 GIGB N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 33653599 ZQHABBSZIOPKQN-WCIBSUBMSA-N 390.149 4.035 50 40 GIGB N#C/C(=C\c1c[nH]c2ccc(Br)cc12)C(=O)NCc1cccs1 59182453 FIDWSTZWIIGXNT-IZZDOVSWSA-N 386.274 4.215 50 40 GIGB COc1cc(OC)cc(C(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c1 408986577 QRGKINOQHIKWMQ-OYKKKHCWSA-N 391.471 4.184 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3cccc(Br)c3)cc2c1 409189336 JLAKICMHQXGPNM-JAIQZWGSSA-N 387.233 4.358 50 40 GIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1c(Cl)cccc1Cl 1300680 AUSYMXVAVCNPFA-UFWORHAWSA-N 380.256 4.377 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(F)cc1 4974031 WGDRPZLCDMNKSY-LSHDLFTRSA-N 386.766 4.201 50 40 GIGB CC(=O)N/N=C/c1cc(Cl)c(OCCOc2ccccc2C)c(Cl)c1 6218591 WGJXCPXUDOKBNI-SRZZPIQSSA-N 381.259 4.230 50 40 GIGB CC(/C=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)=C\c1ccccc1 13072453 GYNSZJOWIYXRHN-GHHTXWPBSA-N 386.377 4.261 50 40 GIGB O=C(CCc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 14407661 SCKJPOYXGCBQHN-YDZHTSKRSA-N 396.830 4.381 50 40 GIGB N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)S(=O)(=O)c1ccccc1 33336716 NZBQCFWHDVKIOX-VBKFSLOCSA-N 380.381 4.193 50 40 GIGB COc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OC)[nH]c2c1 44400076 LRWJOSUUVHEXMM-GHXNOFRVSA-N 384.233 4.407 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(Cl)cc1 59334425 ITSORFCPDBTMAJ-BOPFTXTBSA-N 384.863 4.313 50 40 GIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(Br)c1 408786110 MKAPQXFUXQMVQB-YVLHZVERSA-N 399.288 4.460 50 40 GIGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c2ccccc21 1095501 NJMDLZFYXRNLOQ-SFQUDFHCSA-N 387.439 4.059 50 40 GIGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1 408797780 CULDIYGOZDTXNY-MHWRWJLKSA-N 380.831 4.215 50 40 GIGB C/C(=N/NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(C#N)cc1 33727948 PIALUWSMIHZZQC-QQXSKIMKSA-N 387.414 4.430 50 40 GIGB Cc1sc(-n2c(C)cc(/C=N/NC(=O)Cc3cccs3)c2C)c(C#N)c1C 8334768 RRVDOJONSHFNMJ-SSDVNMTOSA-N 396.541 4.398 50 40 GIGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3ccccc3o2)c(OC)c1 865018 PZSILZQOFBIMNF-MHWRWJLKSA-N 391.379 4.131 50 40 GIGB CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)cc1 1025753 FCXHAHNYUKDBKT-IBGZPJMESA-N 385.471 4.141 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C2\SCC(=O)N2c2ccccc2)cc1Cl 4523333 JTOHEDNVSNFMDX-CYVLTUHYSA-N 383.860 4.102 50 40 GIGB COc1ccc(/C=C/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 33526363 KHTRXSAAAGINFH-VXCFCLNRSA-N 381.413 4.247 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)C(=O)NC1CCCCC1 408841536 LDXKETIQYBPBHE-GXDHUFHOSA-N 383.379 4.350 50 40 GIGB COc1ccc2cc(/C=N/NC(=O)CSc3ccc(C)cc3)c(Cl)nc2c1 408864374 UVXGLSYBEMLLJI-SSDVNMTOSA-N 399.903 4.448 50 40 GIGB CCC(CC)[C@@H]1C(C#N)=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c21 1472041 DJGJCDOAQVMRRK-HXUWFJFHSA-N 377.488 4.006 50 40 GIGB Cc1nn(C)c2sc(C(=O)NN(Cc3ccccc3)c3ccccc3)cc12 32256113 JSJKHORVVPKTJP-UHFFFAOYSA-N 376.485 4.295 50 40 GIGB Cc1cccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1 105068912 SEGJQIFJICYOLF-UCQKPKSFSA-N 389.411 4.246 50 40 GIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1425113 RMIIZJWMYGDFDF-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB COC(=O)c1ccccc1-c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)o1 12363876 XPTCAERUJHIROD-QRVIBDJDSA-N 388.379 4.243 50 40 GIGB Cc1ccc(-c2nc(C)sc2CC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 12580696 LHYOHNRARNKEOD-UHFFFAOYSA-N 399.903 4.084 50 40 GIGB Cc1c([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)sc2ccccc12 1426907 XWNDYGCLMHFPJQ-SFHVURJKSA-N 399.475 4.280 50 40 GIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/C(Cl)=C/c1ccccc1 3251303 LSKBASKHIUXFNV-MMKPZMNBSA-N 381.785 4.499 50 40 GIGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCC#N 408843779 HCFWITGWOGNTRO-FMCGGJTJSA-N 397.818 4.151 50 40 GIGB CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C(\C#N)C(=O)OC)cs1 96793872 XVOWJWWHYZHLPR-MHWRWJLKSA-N 383.473 4.032 50 40 GIGB Cc1ccc(SCCOc2ccccc2/C=N/NC(=O)c2ccncc2)cc1 2199414 UNDWDOKGLYQEDT-LFVJCYFKSA-N 391.496 4.325 50 40 GIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H]1[C@@H]2CCCC[C@@]21C 4544679 UTXVFOHELIKLAX-BEQSYLMMSA-N 391.309 4.290 50 40 GIGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C(N)=O)cc1 6389975 NRHXKFVTISYDSZ-ODLFYWEKSA-N 386.411 4.165 50 40 GIGB CCCCCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc21 3306700 AOKXMFXKPGYGMO-CAPFRKAQSA-N 377.419 4.278 50 40 GIGB Cc1cccc(NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1C 6253199 UEMMDKTYLUSKPD-UHFFFAOYSA-N 398.315 4.007 50 40 GIGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 6813160 ABLNOHCUTYKRPD-SFHVURJKSA-N 392.459 4.368 50 40 GIGB CC(C)Oc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1 8563175 CAUOLOVDNJORNN-UHFFFAOYSA-N 388.876 4.417 50 40 GIGB COc1ccc(-c2nn(Cc3ccccc3F)cc2C=C(C#N)C#N)cc1OC 17079246 ZOBAAMRFUAOZQQ-UHFFFAOYSA-N 388.402 4.185 50 40 GIGB CC(C)Oc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 30803254 UVUXNPWYQJYQJZ-NHDPSOOVSA-N 393.256 4.068 50 40 GIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)c(C)cc2nc1Cl 899585 RPTZAQVQURRZTJ-SFHVURJKSA-N 397.862 4.150 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(SC)c2)cc(OC)c1O 13943520 OKLLVLXGKMCGSL-MHWRWJLKSA-N 380.469 4.397 50 40 GIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(Cl)c1 408739239 AHBSKSTWJXUQLQ-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB COc1cccc(OC)c1/C=C(\C#N)C(=O)Nc1cccc(Br)c1 408963936 JZAKTRQIGXRDPB-FMIVXFBMSA-N 387.233 4.012 50 40 GIGB N#C/C(=C\c1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc([N+](=O)[O-])c1 409056343 LPTKMTOUYQXNFD-ONNFQVAWSA-N 378.171 4.153 50 40 GIGB CC/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccc(OC)c(OC)c1 4714610 RDUZBAUXFSBERV-CYNURGJPSA-N 386.517 4.256 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1Br 6842157 LLAOZEWLPBOOJR-SRZZPIQSSA-N 384.233 4.176 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)o2)cc1Cl 13940130 SUFWNFMGYGWROI-BLXMRYOQSA-N 396.830 4.199 50 40 GIGB CCOC(=O)/C(C#N)=C(O)/C(=C\c1ccccc1Cl)NC(=O)c1ccccc1 31830024 CACCUOTYGLYOLP-UHIRCJBMSA-N 396.830 4.010 50 40 GIGB Cc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccccc1 58886650 ANAINBFEKKIMDS-OLCUMFGGSA-N 375.472 4.058 50 40 GIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Br)cc1 100195012 LFAILAGZEZVEFQ-AUWJEWJLSA-N 377.245 4.458 50 40 GIGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 20133112 DGNRCWVIOXJUDH-NSHDSACASA-N 384.299 4.147 50 40 GIGB COc1cc(/C=C(/C#N)c2nc(O)c3cc(Cl)ccc3n2)cc(OC)c1OC 33471791 RDVJENHLXQATES-SDQBBNPISA-N 397.818 4.079 50 40 GIGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3OC)c2C)cc1 408760126 SBBNYGNQFJHTIN-BUVRLJJBSA-N 375.472 4.429 50 40 GIGB C=CCn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21 408963227 BAACDBAYURDYRM-WSDLNYQXSA-N 388.383 4.246 50 40 GIGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1ccc(Br)cc1 2317034 JNKRULSXODTKLX-MRXNPFEDSA-N 378.229 4.215 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1C(=O)O 408851911 BLLVLLYNKDIQMD-SSDVNMTOSA-N 382.803 4.371 50 40 GIGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)OC(C)(C)C 7947614 ZYEAPVMEPOMIOT-AWQFTUOYSA-N 383.279 4.405 50 40 GIGB C/C(=N\NC(=O)CSc1ccc(C)cc1)c1ccc(Br)cc1 408782034 GRIPGBAYGIIZGK-CPNJWEJPSA-N 377.307 4.390 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 10001188 LVHGMFYOAWGUKO-SSDVNMTOSA-N 398.802 4.071 50 40 GIGB COc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1C(C)C 8300783 UNFVYERMGQTBKK-MFOYZWKCSA-N 378.428 4.371 50 40 GIGB CCOc1ccc([C@@H](O)P(=O)(c2ccccc2)c2ccccc2)cc1OC 2577594 YAHUFOAYKGNOPS-QFIPXVFZSA-N 382.396 4.099 50 40 GIGB CCOc1ccc(/C=C(\C#N)c2nc3ncc(Br)cc3[nH]2)cc1OC 4675530 XWXLPGVPNUZXTM-WUXMJOGZSA-N 399.248 4.192 50 40 GIGB COCCCNC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1 5006596 HWHPOPDPAPTGBO-ZRDIBKRKSA-N 379.243 4.313 50 40 GIGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C/c4cccc([N+](=O)[O-])c4)[nH]c(=O)c23)C1 6314427 QMKSBYJFQHIPLY-KAQJVSAMSA-N 392.440 4.082 50 40 GIGB N#C/C(=C\c1cccc(C(F)(F)F)c1)c1nc(N)nc(Nc2ccccc2)n1 11296456 GNILBBVIPHVPGI-UKTHLTGXSA-N 382.349 4.280 50 40 GIGB O=C(Cl)c1ccc2oc(-c3cccc(I)c3)nc2c1 217713179 WFOFLKQQZXWOJD-UHFFFAOYSA-N 383.572 4.478 50 40 GIGB O=C(COc1cccc(Cl)c1)N/N=C\c1cccn1-c1ccc(Cl)cc1 408811892 BPONVSVDYSMNFC-UUYOSTAYSA-N 388.254 4.313 50 40 GIGB O=C(CCc1ccccc1)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408950321 GVYMBDSWYIDKGG-YDZHTSKRSA-N 396.830 4.381 50 40 GIGB N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)NCCc1c[nH]c2ccccc12 408953982 QSWITMGUYWIVIX-WJDWOHSUSA-N 383.373 4.453 50 40 GIGB COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Cl)c1O 409392033 NFJMWWICJKWEFH-OYKKKHCWSA-N 394.858 4.336 50 40 GIGB C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 15792539 KNNVHKYYRDCQLA-IUODEOHRSA-N 397.525 4.006 50 40 GIGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)N1CCOCC1 408765642 MVGANLUNLRNBPR-CJLVFECKSA-N 398.462 4.185 50 40 GIGB Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccccc3O)cc1)C2 1061316 IWHAHWRNQYSOPE-DHRITJCHSA-N 385.467 4.293 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 4550341 DKCZLQHLWCLBCG-QGOAFFKASA-N 392.459 4.358 50 40 GIGB COc1ccccc1-n1c(C)cc(/C=C(\C#N)c2nnc3n2CCCCC3)c1C 5898216 RDDUMVPVAFWDKJ-XMHGGMMESA-N 387.487 4.485 50 40 GIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1 660255 TXWHDGRSDJGTOY-IBGZPJMESA-N 392.846 4.061 50 40 GIGB Cc1c(Br)c(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccccc1 58852814 ZPIAMGXALRILDX-WSDLNYQXSA-N 397.276 4.016 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 59427223 MFUAHWQTFBNUNK-LPYMAVHISA-N 376.416 4.075 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1O 59201624 IGVQDSXJPRWWRS-QPEQYQDCSA-N 387.233 4.017 50 40 GIGB COc1cccc(-c2[nH]nc3c2[C@@H](c2ccc4ccccc4c2)C(C#N)=C(N)O3)c1 5178890 BGFHKERNINXWBE-FQEVSTJZSA-N 394.434 4.457 50 40 GIGB O=C(CSCc1ccccc1)NNC(=O)c1ccc(-c2ccccc2)cc1 18193791 MZRPKPWHBSRNPA-UHFFFAOYSA-N 376.481 4.048 50 40 GIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(C)C)cc1 408804836 BRQWJEACUPQMAK-MHWRWJLKSA-N 398.846 4.459 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1O 15219813 PLXTWFACMPEIHD-QPEQYQDCSA-N 387.233 4.017 50 40 GIGB CCN1c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2C(C)=CC1(C)C 208508440 VMCKDJHFJUTIPW-OEAKJJBVSA-N 392.459 4.381 50 40 GIGB COc1ccc(OC)c(/C=N\NC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)c1 5342711 UPXOJHGUFMJFMP-GEWRUKCFSA-N 384.476 4.053 50 40 GIGB N#C/C(=C/c1ccccc1)C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 33563255 WAJAYBBKHWKZIY-JWGURIENSA-N 396.446 4.043 50 40 GIGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)c2cccc(-n3cccc3)c2)cc1 408959872 HGFKBVBVDJYYRP-BWAHOGKJSA-N 397.482 4.098 50 40 GIGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)cc1 409134614 WROBNQAHBVJGHT-HNNXBMFYSA-N 397.525 4.021 50 40 GIGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C/c1ccc(Br)cc1 1449356 LPKMEOIMRPQOPK-HMASQMOLSA-N 395.684 4.329 50 40 GIGB CN(CCSSCCN(C)/N=C/c1ccccc1)/N=C/c1ccccc1 1726034 JRCYZTMMANNQDZ-KSTNYAOJSA-N 386.590 4.300 50 40 GIGB CCCCC1CCC(C(=O)NNC(=O)c2ccc(Br)cc2)CC1 1953469 ILYCYIHELHBWNX-UHFFFAOYSA-N 381.314 4.207 50 40 GIGB CC(C)(C)c1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1 3204190 UCZUWGFKTDJANK-UHFFFAOYSA-N 397.475 4.265 50 40 GIGB C[C@@H]1O[C@@]1(C)C(=O)[C@H](Br)[C@H](Br)c1ccc(Cl)cc1 4837080 HMKVJMOQBUSHGB-CTLRHGHPSA-N 396.506 4.286 50 40 GIGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(Br)cc1 4897845 NPKYHUGRRIWKKX-LPYMAVHISA-N 382.261 4.460 50 40 GIGB C/C(=N\NC(=O)c1cccc(F)c1)c1ccc(NC(=O)Cc2ccccc2)cc1 15934563 RWNKRJAUTNXAHJ-WGOQTCKBSA-N 389.430 4.161 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc(C#N)c3)cc2)c(C)c1 20195053 IQGBWIRFAPTXFV-JVWAILMASA-N 397.478 4.447 50 40 GIGB O=C(NNc1ccc(F)cc1)c1csc(COc2ccc(Cl)cc2)n1 40050422 PNJDDESAPRTMGZ-UHFFFAOYSA-N 377.828 4.272 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OC(C)C 59282184 DOAPTHUQPDNXCX-SFQUDFHCSA-N 380.444 4.427 50 40 GIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSCc2cccc(Cl)c2)cc1 59473688 RCFHNHQOAKHJFL-LPYMAVHISA-N 389.908 4.072 50 40 GIGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1Br 408760381 XQBBYNYXIABTSO-CIAFOILYSA-N 383.245 4.375 50 40 GIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)c2C)cc1 408803361 NZMRFPMOHSNQAC-NPRIEWAGSA-N 393.487 4.093 50 40 GIGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)cc2)cc1 408964785 DXSJLRQVMJWOJF-VULFUBBASA-N 387.414 4.349 50 40 GIGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1cccc(F)c1 408996715 MRIITMOQWFICPC-WYMPLXKRSA-N 399.853 4.416 50 40 GIGB O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccccc1F 59247995 GLIKIZSKSXCSRA-CIAFOILYSA-N 386.224 4.143 50 40 GIGB CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)c1ccccc1 28216624 NGRYWPKFWFHFDK-VCOZGABYSA-N 375.472 4.240 50 40 GIGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N3C2)cc1 2217968 XTTCYOUUBAPAIM-GOSISDBHSA-N 395.459 4.054 50 40 GIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(Br)ccc2F)cc1 13140892 UIDYOVLEYSUJLV-OQLLNIDSSA-N 380.238 4.235 50 40 GIGB C=CCOc1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1Br 408979176 POEDQPSMERKXGG-OQLLNIDSSA-N 386.249 4.075 50 40 GIGB COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1OC(C)C 409020661 RUHOUOGJYSMYLP-RGVLZGJSSA-N 391.265 4.009 50 40 GIGB CCOC1(C(=O)Nc2ccc(OCCBr)cc2)CCC(C)CC1 225719998 HWOJRHPVYNHHHZ-UHFFFAOYSA-N 384.314 4.384 50 40 GIGB Cc1nn2c(c1-c1ccc(Cl)cc1)NC(c1ccc(F)cc1)=C(C#N)[C@@H]2N 226759108 MSTOHJHVNDVHSW-LJQANCHMSA-N 379.826 4.469 50 40 GIGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC1(c1ccccc1)c1ccccc1 811472 PKWGFZMXQBSFQZ-WEKPXBEKSA-N 385.423 4.051 50 40 GIGB O=C(N/N=C/c1cc(Br)ccc1F)C12CC3CC(CC(C3)C1)C2 4587407 QBAYIVLRDFYCPD-UFFVCSGVSA-N 379.273 4.255 50 40 GIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(Cl)c(Cl)c1 4735332 ILILXQWDNUKNTL-DJKKODMXSA-N 386.076 4.449 50 40 GIGB COc1ccc([C@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1 20348365 LKJFPLOIFSLIFL-GOSISDBHSA-N 383.517 4.043 50 40 GIGB aggregator COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc12 59332903 NPNBTGYLLUWLMT-JZJYNLBNSA-N 397.478 4.104 50 40 GIGB C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 103748256 NZYGPMULXCNNIE-MFKUBSTISA-N 399.922 4.450 50 40 GIGB CC(=NNC(=O)CSCc1ccccc1Br)c1ccc(F)cc1 254761673 VWYIFHWRLFQTLX-UHFFFAOYSA-N 395.297 4.362 50 40 GIGB O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1cccc(F)c1 409009991 CUSJPKAIDHEBKQ-CIAFOILYSA-N 386.224 4.143 50 40 GIGB CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OC 409389782 ADVHOIJCAHTENP-UQQQWYQISA-N 388.467 4.376 50 40 GIGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccc(Cl)cc1Cl 408825638 FDOMTHSMWANYHN-DNTJNYDQSA-N 381.284 4.252 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)cc2)c([N+](=O)[O-])c1 408890099 NTQLSPWFMQYIII-MHWRWJLKSA-N 395.415 4.184 50 40 GIGB C/C(=N\NC(=O)c1ccc(I)cc1)c1cc(C)ccc1C 408711620 BQMDNYJZWHPQAB-CPNJWEJPSA-N 392.240 4.062 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 408794814 JHRNYMOKPWZHIA-MDWZMJQESA-N 387.222 4.257 50 40 GIGB N#C/C(=C/c1ccc(N2CCCCC2)cc1F)C(=O)Nc1cccc(C(=O)O)c1 408542675 MXULVVCBTUTNRS-BOPFTXTBSA-N 393.418 4.060 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1cccc2ccccc12 7159874 JJTZVWDDXKPGBQ-QJUACMODSA-N 399.494 4.450 50 40 GIGB Cc1cc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)ccc1Cl 5379167 KISBJKCCYNEJDX-IFRROFPPSA-N 387.650 4.190 50 40 GIGB COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Br 1437707 QIIICUAJRWJQEE-LPYMAVHISA-N 397.272 4.304 50 40 GIGB O=C(NN=C1CCCCC1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20240379 GOIGTFCUWXTEMZ-UHFFFAOYSA-N 390.531 4.059 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCC3)o2)cc1 14178455 UABIPCJPGPQWEQ-GHRIWEEISA-N 378.428 4.089 50 40 GIGB CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2cccs2)/C(=C\c2cccs2)C1 20608738 QJAKHWIVXMCRHK-YVJSUPCUSA-N 381.526 4.290 50 40 GIGB COc1ccc2nc(Cl)c(/C=N/NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2c1 5556297 WSVMDEPMNPMRED-ZRNXJCNUSA-N 379.847 4.151 50 40 GIGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3)c2)cc1 59116724 SAZPKVKCKZVJNT-XMHGGMMESA-N 398.418 4.460 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OCC 107885867 BYKQIJKFSRTQBW-BUVRLJJBSA-N 392.455 4.410 50 40 GIGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(O)c(C(=O)O)c3)n2)c1 1896974 QDCNJVBJGWCOCU-JLHYYAGUSA-N 393.424 4.199 50 40 GIGB COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccnc3)c3ccccc3n2)cc1 15933611 MZSQKZQRGUVQMY-JVWAILMASA-N 396.450 4.459 50 40 GIGB C[C@H](NC(=O)/C(C#N)=C\c1cccn1-c1cccc([N+](=O)[O-])c1)c1ccccc1 409231485 KSMWCQNYGLZGQD-CQUHBBLWSA-N 386.411 4.170 50 40 GIGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C 408898493 LURBRBZCOLTXOI-ZVHZXABRSA-N 375.472 4.483 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(Cl)c1OC(C)C 7157746 GSVMQKNNECTZNE-OQLLNIDSSA-N 376.884 4.492 50 40 GIGB COc1cccc([C@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1 2240907 FDWMRCIVFWUQKG-MRXNPFEDSA-N 395.459 4.054 50 40 GIGB aggregator N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(F)c(Oc2ccccc2)c1 804048 RSYVNKVQMIZYRM-FQEVSTJZSA-N 376.387 4.433 50 40 GIGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 4860355 VRYSHMMEWVXRRB-LFVJCYFKSA-N 378.859 4.116 50 40 GIGB COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408817630 UHZGATKGGPXYOK-FMIVXFBMSA-N 379.243 4.313 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc1 408730399 QLGJSWCRRSAGFP-MFKUBSTISA-N 385.467 4.369 50 40 GIGB O=C(N/N=C/c1cccs1)c1ccn(Cc2ccc(Cl)cc2Cl)n1 2738293 WDKZBCXQGOVHHY-DJKKODMXSA-N 379.272 4.064 50 40 GIGB Cc1ccc(-c2cs/c(=N/NC(=O)c3ccncc3)n2-c2ccccc2)cc1 1466441 ALDHKNSAYQUUMD-YYDJUVGSSA-N 386.480 4.155 50 40 GIGB CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OC(C)C 1453873 ROWOFWPOJXRPMY-GHRIWEEISA-N 378.428 4.196 50 40 GIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2cc3ccccc3o2)o1 2368761 XPTCAERUJHIROD-YDZHTSKRSA-N 388.379 4.243 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Br)OCO3)cc1 5745948 QVXUGLCRWIGVJB-MLPAPPSSSA-N 385.217 4.032 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)cc1Br 6846132 KLEITFVSVSMTNC-SRZZPIQSSA-N 384.233 4.176 50 40 GIGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2sccc2C)CC(=O)N1 9015401 KXUQFCFQCFPHHT-AWEZNQCLSA-N 397.525 4.076 50 40 GIGB CCCCSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)C2=C(CCCC2=O)N1 13284559 XGSLVADBKLYZSL-IBGZPJMESA-N 384.501 4.363 50 40 GIGB O=C(CCSc1ccc(Cl)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2 6047082 SDDVPWQCDNHMEG-UHFFFAOYSA-N 392.952 4.186 50 40 GIGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C)s2)C(C#N)=C(N)O3)cc1 4453084 CUZGRPYLPTXJLG-INIZCTEOSA-N 378.457 4.064 50 40 GIGB Cc1cccc(N2CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N3C2)c1 4922753 JFINWDKRHWDVPV-QGZVFWFLSA-N 379.460 4.354 50 40 GIGB Cc1c(CC(=O)NNC(=O)c2ccccc2)c2ccccc2n1Cc1ccccc1 18191841 BRTFALPBLLVYEI-UHFFFAOYSA-N 397.478 4.002 50 40 GIGB Nc1ccc(C(=O)N/N=C/c2cn(Cc3cccc(F)c3)c3ccccc23)cc1 15934391 VPIQWJZXLZMRDN-LGJNPRDNSA-N 386.430 4.175 50 40 GIGB O=C(Cc1ccc(F)cc1)N/N=C\c1cccn1-c1cccc(C(F)(F)F)c1 409242010 ZWSHQTVOLSDMBW-MXAYSNPKSA-N 389.352 4.328 50 40 GIGB Cc1oc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br 408879246 BPRNVKNMZSBEOL-REZTVBANSA-N 387.686 4.246 50 40 GIGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(N)=O)cc1C 408885054 WVZDXQAGPCNWSV-LZYBPNLTSA-N 385.261 4.037 50 40 GIGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cccs2)cc1 408840889 CVIHQVUICMNRPC-MAXPBVDLSA-N 375.453 4.164 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1 299865304 TWNNQXKRABGYSP-BUVRLJJBSA-N 387.439 4.020 50 40 GIGB Cc1ccn2c(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)c(C)nc2c1 1033631 QYFCJPJSBYSZMH-MFKUBSTISA-N 398.466 4.294 50 40 GIGB COc1ccc2cc(/C(C)=N/NC(=O)COc3ccc(Cl)cc3)ccc2c1 5869587 DYNIQWGJHBVFAP-OEAKJJBVSA-N 382.847 4.421 50 40 GIGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1 4452906 LBUYAUNRTRTBJN-YADHBBJMSA-N 399.542 4.119 50 40 GIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 1320236 STSCQWCHTJDUFY-XIJPWPHISA-N 390.867 4.097 50 40 GIGB Cc1c(/C=N/NC(=O)OC(C)(C)C)c2ccccn2c1C(=O)c1ccc(F)cc1 3238511 VUVICILRXAJKDD-ZMOGYAJESA-N 395.434 4.476 50 40 GIGB COc1ccc(-n2cccc2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 408949844 CMMXBHDFEHIAJQ-ZMOGYAJESA-N 387.361 4.269 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 4782596 OUHOJPZDTMMFFD-ZVHZXABRSA-N 375.472 4.483 50 40 GIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 409116655 LUPKBRDMEALYTC-NJDFMEINSA-N 377.853 4.188 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc1Br 408754794 RWMLOMZWUANSIJ-ZROIWOOFSA-N 399.244 4.206 50 40 GIGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1 40948885 SJWKJSUFGBODRX-NBVRZTHBSA-N 378.428 4.198 50 40 GIGB CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1 5322014 ZJAXVQKAHGRKLS-JOCHJYFZSA-N 399.498 4.245 50 40 GIGB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)[C@H](C)Cl)c2)c1C 14405496 PRGQKVCIVCDEPW-LBPRGKRZSA-N 376.888 4.118 50 40 GIGB COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc([N+](=O)[O-])c1O 36056543 TYJQEDMIIYNGKS-VGOFMYFVSA-N 379.397 4.497 50 40 GIGB Cc1cccc2cc([C@H]3CC(=O)N(c4ccccc4)C(N)=C3C#N)c(Cl)nc12 798820 AUNOXQHCTQRTMG-MRXNPFEDSA-N 388.858 4.411 50 40 GIGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Br 16194738 QLYMGAOFKQAGCQ-QPEQYQDCSA-N 389.205 4.439 50 40 GIGB CC[C@@H](Br)C(=O)Nc1nc2c(C)cc(Br)cc2s1 20132188 CVJALYGFILKHOE-MRVPVSSYSA-N 392.116 4.479 50 40 GIGB CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccccc1 28216667 PDNAUHCRZCBIAA-GQBLCDNYSA-N 379.435 4.071 50 40 GIGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 33733469 HYHRZYMFIZDBRI-ZMOGYAJESA-N 395.434 4.014 50 40 GIGB O=c1cc(-c2ccccc2)c2ccc(O)c(CN(CCCl)CCCl)c2o1 73257676 NURQFHULWBACHU-UHFFFAOYSA-N 392.282 4.445 50 40 GIGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1 408712039 WWQBTXIDKFPRMF-UQQQWYQISA-N 388.467 4.357 50 40 GIGB C/C(CC(=O)Nc1ccccc1)=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 408731904 QQIHIUBRUYOHNR-CYGNYLSHSA-N 389.908 4.342 50 40 GIGB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 1073828 HAFWZQLHHUVTBY-SFHVURJKSA-N 380.810 4.191 50 40 GIGB CCCC[C@H](Br)C(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12 2263190 KKFOZXMUYMFUQI-LBPRGKRZSA-N 381.270 4.155 50 40 GIGB CCOc1ccc(C(=O)NNC(=O)CC(c2ccccc2)c2ccccc2)cc1 6602908 JBCQSAHXTFNPIS-UHFFFAOYSA-N 388.467 4.069 50 40 GIGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(NC(=O)c4ccccc4)ccc32)cc1 8917135 BCXXOHXUDWJBDV-QFIPXVFZSA-N 381.435 4.466 50 40 GIGB COc1cc(/C=C(/C#N)C(N)=S)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 33734544 GIIGENVAOZNWAK-IDUWFGFVSA-N 396.512 4.010 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)o2)sc2c1CC[C@@H](C)C2 1252088 SVFRXGLUGZTZMI-HLVNSREUSA-N 398.484 4.497 50 40 GIGB O=C(CCl)N1CCN(C(=O)CCl)c2c1c1ccccc1c1ccccc21 1596477 KDFYFGAPZVIEGE-UHFFFAOYSA-N 387.266 4.150 50 40 GIGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)NC[C@H]1CCCO1 4551260 UEFKZVSFMUAIPF-VOMPUTFMSA-N 396.874 4.121 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 4985317 GYUVWSGVGVLXED-BOELMYATSA-N 399.487 4.149 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(C#N)cc3)c2)cc1 20764626 LYJMXCHIAJFOIP-WGOQTCKBSA-N 399.450 4.300 50 40 GIGB CC/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1 34107355 QBXHVZNZDAQCAF-CLCOLTQESA-N 398.503 4.311 50 40 GIGB O=C(NN=C1CCCCCCC1)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444757 IGLQVDMOIIAJIK-UHFFFAOYSA-N 393.487 4.421 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccccc2)c1C 408591505 ULVINDPJBJCQEK-OEAKJJBVSA-N 390.443 4.004 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC)cc2OCC)cc1 408744232 JSQDISUVLCXVOE-LGMDPLHJSA-N 380.444 4.428 50 40 GIGB Cc1cccc(NC(=O)N/N=C\c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)c1 408846117 IONIYBVHJVQKSZ-UUYOSTAYSA-N 377.400 4.417 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(N)=O 408876062 IYMLARVBYNNARP-NTUHNPAUSA-N 391.652 4.074 50 40 GIGB O=C(Cc1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 1022283 CESWKDUMPURJJW-KOEQRZSOSA-N 380.451 4.232 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccn2)ccc1OCc1ccccc1 1453991 KYNRCMYFBCNYBV-CPNJWEJPSA-N 385.423 4.215 50 40 GIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc2ccccc2n1 3285727 JRCPDRVZUJWUOY-YDZHTSKRSA-N 389.846 4.146 50 40 GIGB O=C(COc1ccccc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 5338349 YUHBYKUZFCURSN-MFKUBSTISA-N 383.451 4.219 50 40 GIGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6900936 QFACHQJBHDQMTE-MWBJOKRYSA-N 379.416 4.457 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccccc1Cl 8043648 LKQLOFDGBIPONE-WSDLNYQXSA-N 384.819 4.285 50 40 GIGB CC(C)(C)C(=O)N1CCC(C(=O)NN(c2ccccc2)c2ccccc2)CC1 32721886 SKNVBDYOLGUIEJ-UHFFFAOYSA-N 379.504 4.141 50 40 GIGB COc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(N(C)C)cc2)c1 408956078 ZXEQVCZZXNWDGD-VKAVYKQESA-N 386.455 4.098 50 40 GIGB O=C(NC1CCCCC1)[C@H](Br)[C@H](Br)c1ccccc1 1801138 OTQYHQDFAKWSDZ-ZIAGYGMSSA-N 389.131 4.335 50 40 GIGB Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3cccc(O)c3)cc1)C2 6792991 MISRCAMCGFPTHW-DHRITJCHSA-N 385.467 4.293 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1CC(C)C 2650307 LQQBXXIZRZKJBW-VCHYOVAHSA-N 379.460 4.078 50 40 GIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)o1 408724990 IBDWAXOFCLQELL-CGXUKVIWSA-N 397.431 4.140 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cccc(C)c3nc2C)c(O)c1 4631236 CBOLFZZAFUAVSO-ZVHZXABRSA-N 390.487 4.167 50 40 GIGB O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(-c2ccccc2Cl)o1 15426548 PQPUTYIWDCWAHB-UHFFFAOYSA-N 379.803 4.156 50 40 GIGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 20086093 IIAFQQFBAMXQJW-INIZCTEOSA-N 398.249 4.063 50 40 GIGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2oc3ccccc3c2C)c1 6329992 WLHQUFSGCPOZRP-UHFFFAOYSA-N 380.444 4.013 50 40 GIGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1ccc(Cl)cc1 7009219 DLXVSKMUNPJKBY-ZMOGYAJESA-N 380.879 4.310 50 40 GIGB C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)COc1ccccc1C 4416348 ABTGAWFSUFKKOO-KOEQRZSOSA-N 389.455 4.048 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OCc1ccccc1 60809958 OHNPNYRRQDJJRN-WGOQTCKBSA-N 399.450 4.300 50 40 GIGB C/C(=N/NC(=O)[C@H](C)Nc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 5529894 GOSBJSRHNQBECY-DZIKBWIISA-N 376.416 4.089 50 40 GIGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3cccc(Cl)c3Cl)o2)n1 695559 IRWLFJHDLNQJDH-ZVBGSRNCSA-N 391.258 4.212 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1OC 5661820 UFAYQPUJFCIJRI-UKTHLTGXSA-N 387.233 4.012 50 40 GIGB N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NCCc1ccccc1 6061085 KDEQWRQEPYZAII-VKAVYKQESA-N 387.395 4.121 50 40 GIGB O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C1/CCc2ccccc21 34107360 YFAVPPKMFHLSTA-BZZOAKBMSA-N 386.451 4.111 50 40 GIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Cl 59417831 UIWKCBACTHDDAD-RGVLZGJSSA-N 393.668 4.431 50 40 GIGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2N)c1C 408587679 GQZQPNRBEOLQJK-WYMPLXKRSA-N 380.879 4.402 50 40 GIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 5111747 RLONDRCIFDPXGR-WSDLNYQXSA-N 393.399 4.001 50 40 GIGB CC(C)Oc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 5408159 SUTPLOZRMJWQDM-INIZCTEOSA-N 378.457 4.144 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(SC#N)c1O 409048679 UKQWXUBLRNXYKM-SDQBBNPISA-N 385.832 4.173 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(-c2ccccc2)n1-c1ccccc1 408791526 ZQWKOPGMOSREMQ-XLNRJJMWSA-N 397.478 4.219 50 40 GIGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cccc([N+](=O)[O-])c1 4805498 IFKZQDNCGVJWAD-ZVHZXABRSA-N 398.422 4.362 50 40 GIGB C[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1c[nH]c2ccccc12 5920389 GKINJNHCHHVRAU-KIHMUJGBSA-N 380.498 4.409 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 33473170 LLOHTSSKEUDAMR-UDWIEESQSA-N 398.444 4.157 50 40 GIGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408860686 BUPAYPZCTAQENY-KEBDBYFISA-N 375.812 4.047 50 40 GIGB N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)NC[C@H]1CCCO1 408810685 JPVHBJOUQHHUQD-VOMPUTFMSA-N 396.874 4.121 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)SCCS3)c2C)c1 408592510 YUQZKFIRJVITJO-FYJGNVAPSA-N 387.574 4.439 50 40 GIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Sc3ccc(C)cc3)o2)cc1 33874191 XWIMHRJGKXLINV-LPYMAVHISA-N 393.468 4.462 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(C[C@@H](CC)CC2)[C@H]1c1ccccc1 254819086 QDGRPBRRSWBNGH-NQKDMWHGSA-N 375.472 4.100 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)CCCl)cc1 14404921 MGCCPGVDLNPXRJ-UHFFFAOYSA-N 396.878 4.309 50 40 GIGB C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)c2C(N)=O)C1 952682 YYGLBZNOIAWVRJ-GJSJWPQCSA-N 399.903 4.171 50 40 GIGB CCC[C@@](O)(C(=O)NN(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 4852200 MOKOLJWYRCHYOV-DEOSSOPVSA-N 388.467 4.053 50 40 GIGB O=C(NNC(=O)[C@H]1CC=CCC1)c1ccccc1OCc1ccc(Cl)cc1 13001264 CDNRBUWETKLWSY-INIZCTEOSA-N 384.863 4.036 50 40 GIGB CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)CNc1ccc2ccccc2c1 13285944 WJWPXYZTQLXDSM-ZPWLBNCLSA-N 387.439 4.186 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Cl 408588165 IEGIIHCUHVODSS-FOKLQQMPSA-N 395.846 4.240 50 40 GIGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)Nc1ccc(Br)cc1 408961746 VDURMWGSYNCMFI-MOSHPQCFSA-N 387.281 4.205 50 40 GIGB CCOC(=O)/C(CC(=O)C(C)(C)C)=N\NC(=O)c1ccc(-c2ccccc2)cc1 59489077 PTVYGNXXJHEQFX-CLCOLTQESA-N 394.471 4.008 50 40 GIGB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@@H](Br)C21OCCO1 4023155 WYIBGUUFQXYIQI-SPOLIRPYSA-N 393.321 4.365 50 40 GIGB C/C(=N\NC(=O)c1ccc(I)cc1)c1ccc(C)c(C)c1 408711640 COUOXXKXZSTCCR-CPNJWEJPSA-N 392.240 4.062 50 40 GIGB CN(C)c1ccc([C@H]2C(C#N)=C3SCCN3C3=C2C(=O)CC(C)(C)C3)cc1 67257883 DBVXFCKDZAPFOE-IBGZPJMESA-N 379.529 4.277 50 40 GIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409361348 GZDIHLYTWCSQRC-SSDVNMTOSA-N 398.806 4.070 50 40 GIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 949272 OCHVOGBKBWFULA-XNTDXEJSSA-N 384.457 4.096 50 40 GIGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(Cl)c1)[C@@H](Br)C2=O 2172580 DXTKBFJYTILFLZ-VUCTXSBTSA-N 384.701 4.437 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@@]43C)o2)cc1 5797036 URKVDFDKNZMMSQ-CCVFBZPMSA-N 394.471 4.400 50 40 GIGB O=C1Nc2ccccc2/C1=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12 6231289 XLCKREHRWSVMLB-UHFFFAOYSA-N 398.447 4.050 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 28216779 XAWWDUWKTJLGMU-ZVHZXABRSA-N 375.472 4.483 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)c1 409199263 AWZQKJHSTBVPDW-STZFKDTASA-N 398.466 4.343 50 40 GIGB C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 409391863 LVSJIKXUTKJVPZ-KOEQRZSOSA-N 386.451 4.130 50 40 GIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(C)c(C)c2nc1Cl 899060 DTHWSAQTNNSSBE-QGZVFWFLSA-N 397.862 4.150 50 40 GIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1320259 JRSZBSDRJPWFHT-PUFAJPFRSA-N 389.839 4.291 50 40 GIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1c2ccccc2cc2ccccc12 409362182 HYWJRIFXJVTDSU-WGOQTCKBSA-N 396.446 4.457 50 40 GIGB O=C(Cc1ccc(F)cc1)N/N=C\c1cccc(OCc2ccc(F)cc2)c1 409248559 LDAJTIZHSWERFW-QFEZKATASA-N 380.394 4.237 50 40 GIGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408588192 IGPQZTDSHGCFAG-BUVRLJJBSA-N 375.472 4.104 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)cs1 33624562 NTEHMGQOCNYKEQ-DJKKODMXSA-N 389.274 4.436 50 40 GIGB CC(C)(C)[C@@H](Br)C(=O)NCCC(=O)Nc1ccc2ccccc2c1 15423156 ODKXCYVWKGRXQO-KRWDZBQOSA-N 391.309 4.094 50 40 GIGB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(F)F)cc1)C(C#N)=C(N)O2 1088788 SUVYRQXFEPVYTA-GOSISDBHSA-N 394.381 4.000 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)N1CCOCC1 1449178 LZCXOSGWRVHJPG-FMIVXFBMSA-N 377.227 4.019 50 40 GIGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1c(Cl)cccc1Cl 7164603 DKDPMUCZAAXDTJ-XYOKQWHBSA-N 391.210 4.002 50 40 GIGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 48374541 VONNYJXWEKPKIP-UVTDQMKNSA-N 388.395 4.334 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCC#N 59335720 BVVWGKWUUBVUKC-UYRXBGFRSA-N 387.439 4.180 50 40 GIGB C[C@H]1O[C@]1(C)C(=O)[C@H](Br)[C@@H](Br)c1ccc(Cl)cc1 102673522 HMKVJMOQBUSHGB-UWXZRWETSA-N 396.506 4.286 50 40 GIGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408882490 PGUVJHOFGSELRA-MDWZMJQESA-N 375.211 4.326 50 40 GIGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)COc2ccccc2OC)cc1Cl 409012141 IZLSCOXVRMBKPM-JCRYTKJOSA-N 390.867 4.055 50 40 GIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)cc1 409169515 QJHXFQCWNFPJLF-WSDLNYQXSA-N 393.399 4.001 50 40 GIGB Oc1nc(/C(Cl)=C\c2cnn(CCCl)c2)nc2sc3c(c12)CCCC3 57738221 PUVFJWJVJXASHZ-KPKJPENVSA-N 395.315 4.448 50 40 GIGB CN(CCSSCCN(C)/N=C\c1ccccc1)/N=C\c1ccccc1 8628628 JRCYZTMMANNQDZ-SVJWQLCWSA-N 386.590 4.300 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)cc1 1407056 MNAIPHUEWWOUGF-GHRIWEEISA-N 378.428 4.089 50 40 GIGB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)OC(=O)[C@@H]12 108507215 QWYDHHASCRHQDJ-KYXKYNKESA-N 386.447 4.302 50 40 GIGB Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3cccc(F)c3)CC(=O)N2C1 4923510 UJFYICNZRMMZMP-QGZVFWFLSA-N 379.460 4.354 50 40 GIGB O=C(N/N=C\c1c[nH]c2ccc(Br)cc12)c1cc2ccccc2o1 83252616 AOFTXZZIWDYXOL-FBHDLOMBSA-N 382.217 4.441 50 40 GIGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@@H]1COc2ccccc2O1 5669489 RCAKEVYHAAQNGU-HBAGGBEISA-N 382.419 4.283 50 40 GIGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 13546490 POTRAIWLELMNOC-POHAHGRESA-N 378.171 4.153 50 40 GIGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@@H]1c1ccccc1Cl 20348360 SYQAKROVWOSDNS-OAHLLOKOSA-N 385.876 4.148 50 40 GIGB CCCCCCc1ccc(OCCOc2ccc(/C=N/NC(N)=O)cc2)cc1 4551229 VLGDCKSSLVIMEN-JJIBRWJFSA-N 383.492 4.269 50 40 GIGB C/C(CC(=O)Nc1ccccc1C(C)C)=N\NC(=O)COc1ccc(C)cc1 4691110 YKBHFNVUVDCTLR-JJIBRWJFSA-N 381.476 4.018 50 40 GIGB C/C(=N\NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 5003108 OCDFJSQNFGMGHE-OALFQMFHSA-N 385.467 4.088 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1OCC 59474291 WKOYIPCLSKVPGW-OEAKJJBVSA-N 398.528 4.342 50 40 GIGB C[C@@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 82230491 BXSPCFWJSALCFW-LFYYPNPWSA-N 390.612 4.412 50 40 GIGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1F 212114899 TYJCPTIYBBCUMN-WQLSENKSSA-N 375.197 4.142 50 40 GIGB COc1cc(OC)c(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1Cl 408591451 TVZXYKDYBNBGHD-YDZHTSKRSA-N 388.895 4.348 50 40 GIGB COc1ccc2cc(/C=N/N(C)C(=O)OCc3ccccc3)c(Cl)nc2c1 409190285 RMIPNTRTUIAQAE-WSDLNYQXSA-N 383.835 4.499 50 40 GIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C)c(C)c1 1440637 MYKSEKIDBGYZKQ-ZVHZXABRSA-N 376.456 4.384 50 40 GIGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1Cl 408883448 VHWILJIQQWIOKD-DJKKODMXSA-N 391.905 4.201 50 40 GIGB C=CCOc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 12783998 SACSPDNPEXADGT-NTCAYCPXSA-N 389.480 4.492 50 40 GIGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408904145 FMAXYLLENLAXDN-HMAPJEAMSA-N 392.415 4.095 50 40 GIGB CC(C)c1ccccc1NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C 15423176 KWNKEJJAIBTQJJ-INIZCTEOSA-N 383.330 4.064 50 40 GIGB CCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 1915671 XPBYDSGZDFHXBN-GZTJUZNOSA-N 391.876 4.476 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(F)cc1 6960085 GTPKGCYDTREWSE-AFUMVMLFSA-N 392.430 4.486 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCC2)cc1F 6970833 UHIIPRACEVWASY-WSDLNYQXSA-N 391.899 4.322 50 40 GIGB O=C(NN=C1CCCCCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 58885738 WPPRLNXEYSLGCE-UHFFFAOYSA-N 375.778 4.124 50 40 GIGB O=[P@@]1(N(CCCl)CCCl)NCCC2(O1)C1CC3CC(C1)CC2C3 104201993 CXQXMLPPJIWUFJ-RUURTVCCSA-N 381.284 4.079 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC 59473758 DGYRWMAVSOWSBV-LNOXHEFASA-N 392.908 4.378 50 40 GIGB CC1=Nn2c(nc(-c3ccccc3)c2-c2ccccc2)NC(=O)[C@@H]1Br 13122124 VWSIERCXHTVBMY-OAHLLOKOSA-N 395.260 4.157 50 40 GIGB C/C(CC(=O)Nc1cc(Cl)cc(Cl)c1)=N\NC(=O)c1cccc(C)c1 4690832 URULCJVRCIFZMP-WSDLNYQXSA-N 378.259 4.436 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccnc3)c2C)cc1 4705392 AQEIGKRSMZCYIJ-CPNJWEJPSA-N 386.455 4.434 50 40 GIGB Nc1ccccc1C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1 409179107 PDVFAVJDEVCWHJ-ZMOGYAJESA-N 379.847 4.265 50 40 GIGB Cc1ccccc1NC(=O)N/N=C\c1ccc(-c2ccc(C(=O)O)cc2C)o1 408960382 FKWDXHWXKZELIJ-UUYOSTAYSA-N 377.400 4.417 50 40 GIGB COc1cc(Cl)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 33647737 QIAPVRQWMSBPDW-FSJBWODESA-N 398.846 4.283 50 40 GIGB COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1O 15223241 DAPVJUTZVJDBCR-QPEQYQDCSA-N 387.233 4.017 50 40 GIGB COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccc(F)cc1 8446705 WZGZENHUMCJGLA-YDZHTSKRSA-N 398.459 4.168 50 40 GIGB CCn1c(SCC(=O)N/N=C/C(C)=C\c2ccccc2)nc2ccccc21 4889253 NQNACJFAXMSOAP-NMPCKUKXSA-N 378.501 4.354 50 40 GIGB Cc1ccsc1/C=N/NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 3289438 NHSKQNXAHQGMBI-YDZHTSKRSA-N 375.453 4.124 50 40 GIGB N#C/C(=C/c1cc(Cl)ccc1O)C(=O)Nc1ccc(Br)cc1 408745119 PNUHHCZVZXGJGL-XFFZJAGNSA-N 377.625 4.354 50 40 GIGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1ccc(Cl)cc1 6813921 INWHFRHZUUXASY-INIZCTEOSA-N 397.887 4.051 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc3nc4ccccc4nc3c2)cc1 34871576 VPIYEBLMNNITAI-VBKFSLOCSA-N 380.407 4.337 50 40 GIGB N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(O)c2cc(Br)ccc2n1 40083243 ZKYBIPWUTOAFAP-YRNVUSSQSA-N 397.188 4.070 50 40 GIGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1 1011052 QOAPJSXTQAKVBJ-SSDVNMTOSA-N 382.803 4.371 50 40 GIGB C=CCOc1ccccc1/C=N\NC(=O)c1ccc(OCCC)c(OCC)c1 6324656 KNZAVVRKNANZRP-KQWNVCNZSA-N 382.460 4.203 50 40 GIGB C/C(=N\NC(=O)c1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 4769955 BGXHJEIIPLYWTC-UFFVCSGVSA-N 375.211 4.254 50 40 GIGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(C(=O)O)s1 5516949 SAAPROOFMMEELN-QGMBQPNBSA-N 378.862 4.468 50 40 GIGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1cc(Cl)ccc1O 100522869 GTUVDZJCFZZCRJ-ZMOGYAJESA-N 399.878 4.059 50 40 GIGB N#C/C(=C/c1ccccc1I)Cn1cnc2ccccc21 408691687 LRFYSUHBOFALPK-LCYFTJDESA-N 385.208 4.248 50 40 GIGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408725152 HYXCREVPYZEQDG-WJDWOHSUSA-N 395.415 4.328 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccc(C(F)(F)F)c1 622825 LURWCNHOVMLOMQ-OAHLLOKOSA-N 382.345 4.314 50 40 GIGB CCSc1nc(NNC(=O)CC(C)C)c2c3c(sc2n1)COC(C)(C)C3 2428305 XOMDZUDWKXCLLQ-UHFFFAOYSA-N 394.566 4.144 50 40 GIGB Cc1ccccc1NC(=O)[C@H]1[C@H]2[C@H]3C[C@H]([C@H](Cl)C3)[C@@H]2ON1c1ccccc1 4940275 KAQDAEQXVSETDF-GVEUYEMLSA-N 382.891 4.386 50 40 GIGB Cc1ccc(SCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 8515842 LFDQPDUVPMJEGD-CIAFOILYSA-N 395.440 4.406 50 40 GIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)c1 8812139 QAKQJZYPWUMRSK-YDZHTSKRSA-N 380.375 4.026 50 40 GIGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cccn1-c1ccc(Cl)cc1 408755252 IXSZCOUTBOTHBM-VRMLFSPKSA-N 381.863 4.095 50 40 GIGB CCOc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccc(OC)cc1 408849131 UZVRSRIRMKANKP-JCMHNJIXSA-N 378.432 4.040 50 40 GIGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccccc1 409206733 WQZNPJAFYADLLZ-QZLJHNFXSA-N 399.450 4.032 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 409373872 VOVNOWHJCYVEOZ-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1ccc(Cl)cc1 409382137 LESGVNMFYOWNII-ZMOGYAJESA-N 386.927 4.120 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)cc1Cl 805152 RWXLAFZAJJEKGE-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB COc1ccc(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 863673 KFYDMXHDMTZQAL-LPYMAVHISA-N 390.468 4.168 50 40 GIGB COc1ccccc1/C=N/NC(=O)Cc1ccc(Br)c2ccccc12 4676322 WUQFNWKTLGGPPT-LPYMAVHISA-N 397.272 4.304 50 40 GIGB O=C(Cc1cccs1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 4723993 OQMMTGOVGNGHRH-YBFXNURJSA-N 389.274 4.463 50 40 GIGB N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)NCCc1c[nH]c2ccccc12 4853426 LXRFZJVYEQJKAT-JXAWBTAJSA-N 388.471 4.017 50 40 GIGB COc1cc(Br)c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 5128499 SVEGFPAGPYCLPG-NTUHNPAUSA-N 389.205 4.439 50 40 GIGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1c(Cl)cccc1Cl 5350602 OPRGAYXBHURRJO-AWEZNQCLSA-N 384.222 4.053 50 40 GIGB COc1ccc(/C(C)=N\NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)c(OC)c1 5529967 ZHVZKILHOZHQSQ-MKCIMWKDSA-N 391.471 4.198 50 40 GIGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccccc1Cl 5583435 GNKZDCKKCVNVJO-DJKKODMXSA-N 397.725 4.486 50 40 GIGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC)c(C)c1 8301392 NXSBXIZADOEARC-JXAWBTAJSA-N 398.466 4.066 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1 33670900 PQIKITBWMAODNS-UYRXBGFRSA-N 385.423 4.338 50 40 GIGB Cc1c(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-] 58871585 MDUJCXUPDHEXNT-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1cccc(C(=O)O)c1 59535104 PIQUCQFJVTYFLY-XDHOZWIPSA-N 391.471 4.148 50 40 GIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 409113348 AJZJMYMHLLQLHR-AINDZBIGSA-N 377.853 4.188 50 40 GIGB CC[C@H]1CCc2sc(C(=O)N/N=C(\C)c3cccc(NC(C)=O)c3)cc2C1 4952205 MLHXTLAEQXAEES-LUILSVGHSA-N 383.517 4.375 50 40 GIGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(Cl)cc1Cl 408860603 ZUVYESFRCKKNEQ-DNTJNYDQSA-N 381.284 4.252 50 40 GIGB COc1cccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c1O 409148854 SULMTEFWZRJMMW-DNTJNYDQSA-N 399.299 4.091 50 40 GIGB CC(C)CCN1CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2C1 20348102 KJWORTRFUZBRFH-MRXNPFEDSA-N 375.925 4.401 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(C(F)(F)F)cc1 1097712 KAUHLTXNWKWTTC-HNNXBMFYSA-N 382.345 4.314 50 40 GIGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccc2ccccc12)c1ccco1 32209332 HONWTFHEBIRCQT-BUVRLJJBSA-N 383.407 4.449 50 40 GIGB O=C(N/N=C\c1ccc(Cl)cc1)c1ccc(N(CCCl)CCCl)cc1 104049703 GCDQWUWSWLIGSB-XKZIYDEJSA-N 398.721 4.388 50 40 GIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)cc1 1320238 STSCQWCHTJDUFY-YSRRJJCPSA-N 390.867 4.097 50 40 GIGB CCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1 20347534 UGJCNPOGAMTNDB-LJQANCHMSA-N 395.484 4.376 50 40 GIGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1OC 33908852 MZQQONUOESMGIF-NHDPSOOVSA-N 379.243 4.331 50 40 GIGB O=C(CCCSc1ccccc1)NNC(=O)CCCSc1ccccc1 40158846 OUKKVESVIZRPOD-UHFFFAOYSA-N 388.558 4.279 50 40 GIGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(F)cc2)c(F)c1 1101274 KTKOUQVBOLOTFP-LGJNPRDNSA-N 391.377 4.179 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4sccn34)c2C)cc1 5490760 JOWVBMGZPWNFPC-WSDLNYQXSA-N 391.500 4.184 50 40 GIGB C=CCn1c(C)c(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)c2ccccc21 876112 CFBXXMGTXIPDIC-XMHGGMMESA-N 385.467 4.368 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C(O)(c1ccccc1)c1ccccc1 1083250 GIVYIEVPRUYQKE-ZVHZXABRSA-N 399.277 4.380 50 40 GIGB COc1ccc(COc2ccc(/C=C(\C#N)C(=O)n3nc(C)cc3C)cc2)cc1 408980105 UXHXWHUNFYJAAH-DEDYPNTBSA-N 387.439 4.335 50 40 GIGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)c1ccc(C(=O)O)cc1 408543943 QYUOURDULBTKSQ-ACAGNQJTSA-N 392.194 4.219 50 40 GIGB COc1cc(/C=C/C#N)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 33746198 RSURMBBRQHCQEO-HWKANZROSA-N 389.205 4.482 50 40 GIGB CCN(CC)CCCN(C(=O)CCl)c1nc(-c2ccc(C)cc2)cs1 4214838 VLTCRBAPNHZAOM-UHFFFAOYSA-N 379.957 4.422 50 40 GIGB CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccc(Br)cc1C 4613844 ABUSSQFMYXCKPV-ZDJTYYSLSA-N 387.277 4.342 50 40 GIGB Cc1cccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1 6217202 AQGSROCOKVFDDA-WSDLNYQXSA-N 393.399 4.001 50 40 GIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)c(OC)c1 408880688 GTTQZGLFTNDVFW-VGOFMYFVSA-N 391.254 4.234 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 408925829 UDHQVCJWVCLSSE-YRNVUSSQSA-N 392.198 4.456 50 40 GIGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1Cl 409131631 YNNAXWKHXNKGEO-INIZCTEOSA-N 377.227 4.316 50 40 GIGB Cc1ccc(S(=O)(=O)SCC(=O)c2ccc(Br)cc2)cc1 1721001 LZHHYIPJKICXTM-UHFFFAOYSA-N 385.304 4.062 50 40 GIGB C/C(=N\NC(=O)CSCc1ccccc1Br)c1ccc(F)cc1 5725290 VWYIFHWRLFQTLX-UDWIEESQSA-N 395.297 4.362 50 40 GIGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 12859460 LGGBMLITGCREIJ-WSDLNYQXSA-N 393.399 4.001 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c2ccccc12 33785581 FUXNRKIOPNHOQI-OEAKJJBVSA-N 378.428 4.020 50 40 GIGB O=C(N/N=C\c1cc(Cl)cc(Cl)c1O)c1ccc(Br)cc1 39246201 RFKRLYWVJCJHSF-WSVATBPTSA-N 388.048 4.225 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccc(F)cc1 59953217 SLZKRQUUKKSZNA-OAQYLSRUSA-N 390.414 4.219 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccccn34)c2C)c(C)c1 408776733 QDNSAOMWFSIFAM-AFUMVMLFSA-N 399.498 4.431 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccc(O)cc1 408793038 CQPQPIXUJMOJIL-DEDYPNTBSA-N 395.418 4.389 50 40 GIGB O=C(N/N=C\c1ccc(N2CCCCCC2)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408904649 MQISJBNQLJJERJ-BKUYFWCQSA-N 396.403 4.078 50 40 GIGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(N2CCCCC2)o1 408999708 SCBXEHZAURNMKB-CIAFOILYSA-N 391.924 4.307 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1O 6537426 ACUXQQPDLMTXMS-MDWZMJQESA-N 376.334 4.355 50 40 GIGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1 1100248 OBLCOJWRFYHRFV-XVRLQHHZSA-N 387.483 4.414 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc3ccccc3n2Cc2ccccc2)cc1 4608193 IXRABLQBDHMETQ-PCLIKHOPSA-N 383.451 4.462 50 40 GIGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)c([N+](=O)[O-])c1 4962365 KLXKRFURPPJFTD-SRZZPIQSSA-N 383.791 4.261 50 40 GIGB CCc1ccccc1N1CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2C1 4923180 HRUSCGBIMOIUHC-SFHVURJKSA-N 375.497 4.468 50 40 GIGB Cn1c(=O)n(C)c2cc(-c3ccc(/C=C(\C#N)c4nc5ccccc5[nH]4)o3)ccc21 9187516 NBVLUNRYULQVJS-RVDMUPIBSA-N 395.422 4.077 50 40 GIGB CCOC(=O)Cn1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc21 408570185 SPBQOVIMAJRYJO-ZROIWOOFSA-N 388.402 4.284 50 40 GIGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 408802647 ZUCCCTNZSDEOLG-LFIBNONCSA-N 395.256 4.315 50 40 GIGB CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccccc2OCC)cc1 20103129 MTBJSZBHWBQRBN-JJIBRWJFSA-N 397.519 4.241 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(I)o2)cc1C 408760400 YBGWXFTVKXXQQF-WQLSENKSSA-N 392.196 4.047 50 40 GIGB CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)c3ccc(OC)cc3)c2c1 409007926 RVVJYDMHMUFUCW-IWIPYMOSSA-N 392.455 4.410 50 40 GIGB CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)cc2)cc1 409365059 SJYMAEUODYRVOJ-PKAZHMFMSA-N 397.478 4.392 50 40 GIGB O=P(C(=S)N[C@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@H]21)(c1ccccc1)c1ccccc1 95676983 YSKJWRGCOCIJFA-OSKXVONFSA-N 393.492 4.476 50 40 GIGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cc2cc([N+](=O)[O-])ccc2s1 6473548 NCYBMERAJYFZPK-WSJMPXRGSA-N 396.384 4.147 50 40 GIGB O=C(N/N=C/c1[nH]c2ccccc2c1Cl)c1cccc(Br)c1 4815455 UZJXJDRUPQKGST-DJKKODMXSA-N 376.641 4.348 50 40 GIGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1OC 6209890 HAQPIUWIVLEOOO-UKTHLTGXSA-N 387.233 4.012 50 40 GIGB N#CC1=C(SCc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@@H]1c1ccc(F)cc1 6495175 DTSIFYCGNMAQMU-MRXNPFEDSA-N 383.404 4.006 50 40 GIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c2ccccc12 9046217 VZEFOXALZFQXHT-HXUWFJFHSA-N 394.434 4.457 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2OC(C)C)cc1 20764105 BGNCKSKQLXJEMK-OEAKJJBVSA-N 384.476 4.424 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2C#N)cc1 20764482 XFCWSXAJKXPJFL-WGOQTCKBSA-N 399.450 4.300 50 40 GIGB CCOc1cc(/C=N\NC(=O)Cc2cccs2)ccc1OCc1ccccc1 32223218 GLDNXLPHZFQTFU-HAHDFKILSA-N 394.496 4.419 50 40 GIGB Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2n1 41780494 HGWLOSCUEFYMTH-UHFFFAOYSA-N 390.321 4.227 50 40 GIGB COC(=O)NNC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Cl 57992771 IBVGEEOPODQFSM-UHFFFAOYSA-N 377.872 4.200 50 40 GIGB N#Cc1ccc(-c2ccc(/C=N\NC(=O)COc3ccccc3Cl)o2)cc1 409016844 KCKHLRNJHFWNRJ-FMCGGJTJSA-N 379.803 4.001 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(C(F)(F)F)c1 622831 LURWCNHOVMLOMQ-HNNXBMFYSA-N 382.345 4.314 50 40 GIGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 660102 QYFABGBUVHVYCX-GOSISDBHSA-N 380.810 4.191 50 40 GIGB CCOc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1OCC 59473674 RFJJMSCNRSBFMS-LPYMAVHISA-N 386.517 4.176 50 40 GIGB CC1(C)[C@]2(C(=O)Nc3cccc(Cl)c3)CC[C@@]1(C)C(=O)[C@H]2Br 4185836 DXTKBFJYTILFLZ-OAUYIBNBSA-N 384.701 4.437 50 40 GIGB Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccccc1Cl 408692398 LQDJMABPHJBWCM-BRJLIKDPSA-N 398.869 4.449 50 40 GIGB CCCCCOc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC 5792564 OOSKCDUAXJXLFK-XQNSMLJCSA-N 384.476 4.427 50 40 GIGB C/C(=N\NC(=O)c1ccncc1)c1cccc(NC(=O)c2ccc(Cl)s2)c1 15994245 NATIZGUKFQFMMF-FSJBWODESA-N 398.875 4.203 50 40 GIGB N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1ccc2[nH]ccc2c1 31820096 XEEXZAUDOWIVGR-QFIPXVFZSA-N 380.451 4.473 50 40 GIGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc(=O)c2c(C)oc(C)c32)cc1 1106333 VQURLYKBRVGKIL-OAQYLSRUSA-N 388.423 4.027 50 40 GIGB biogenic O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)CCl)OCc1ccccc1 2560701 BMGGQIBPEMUTCE-FQEVSTJZSA-N 381.859 4.485 50 40 GIGB in-vitro Cc1cc(OCCn2cc(/C=C(\C#N)C(N)=O)c3ccccc32)ccc1Cl 13424366 QHALZJUIPLDXNI-RVDMUPIBSA-N 379.847 4.074 50 40 GIGB C[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 15792538 KNNVHKYYRDCQLA-WFASDCNBSA-N 397.525 4.006 50 40 GIGB C[C@@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 16712944 FLVKQSUCJXTORD-FWMLUHEOSA-N 390.321 4.123 50 40 GIGB N#C/C(=C\c1cc(Br)ccc1OCC(N)=O)c1ccc(Cl)cc1 408579615 IRDVKVNVGQETQA-NTUHNPAUSA-N 391.652 4.031 50 40 GIGB Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C/c1ccc(Br)o1 2751411 AVPHTONTTJRJCA-KEBDBYFISA-N 393.281 4.177 50 40 GIGB CC(C)NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 21190108 FDPUCYVJZDWUHJ-LICLKQGHSA-N 399.288 4.460 50 40 GIGB N#CCC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 2305334 RNDMKHJDCHZBDY-AUEPDCJTSA-N 385.254 4.360 50 40 GIGB COc1ccc(CSCC(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1 5205554 YMOPWOFBUPOLAM-LSHDLFTRSA-N 382.407 4.098 50 40 GIGB O=C(N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)c1cccnc1 409089888 KVWBMKGBWMLZSL-QFEZKATASA-N 375.472 4.019 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 28217421 PUJQFZDZKLPIQZ-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccncc2)cc1 409120774 TYCKHBMVLCQWJN-XKZIYDEJSA-N 392.440 4.213 50 40 GIGB CCOC(=O)COc1ccccc1CP(=O)(c1ccccc1)c1ccccc1 3099860 UKHNKDBOMBFFKH-UHFFFAOYSA-N 394.407 4.143 50 40 GIGB biogenic CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 408798951 XRPOVAOWQXQFLR-XNTDXEJSSA-N 384.819 4.071 50 40 GIGB C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccc2ccccc2c1 13563376 PMDWPKWUUUJCMS-IWIPYMOSSA-N 388.496 4.359 50 40 GIGB C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccc(Br)cc1 20248497 ZJTKRBINCWFGRG-HCZVKUGISA-N 377.307 4.470 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NC[C@@H]1CCCO1 26965434 SEWUIIVMKAAJCV-ODDCISTRSA-N 391.254 4.456 50 40 GIGB COc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1O 39885277 RUKBYJKIWLZOMA-RIYZIHGNSA-N 379.397 4.497 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(C)=O 59255057 YWFZBRGSNCQHCU-LDADJPATSA-N 386.407 4.319 50 40 GIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccn1-c1ccc(Cl)cc1 59303036 LXCGCLMAIYQPHQ-WSDLNYQXSA-N 388.254 4.313 50 40 GIGB Cc1cc(C)nc(NNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)n1 62580706 QOGWOWKRBPVHCS-UHFFFAOYSA-N 377.492 4.381 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@@H]2C[C@H](c3ccccc3)CC=C12 100671356 BFDLPNAMAQGGCB-NQSCKRDGSA-N 377.451 4.069 50 40 GIGB Cc1ccc(COc2ccc(/C=C(\C#N)C(N)=O)cc2Br)cc1C 408866941 INFLTMBIRMQAQX-LZYBPNLTSA-N 385.261 4.037 50 40 GIGB C=CCOc1cccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)c1 409310273 TTYMJIZSCACGTE-KQWNVCNZSA-N 382.460 4.203 50 40 GIGB COc1cc(OC)c(/C=N/NC(=O)CNc2cccc3ccccc23)cc1Cl 409393231 WENDIHIZDQATSY-WYMPLXKRSA-N 397.862 4.073 50 40 GIGB O=C(CCCC[C@@H]1CCSS1)NCc1cccc(NC(=O)C2CC2)c1 22699531 ISANNQLDEJXKPF-QGZVFWFLSA-N 378.563 4.365 50 40 GIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1 1424865 QNZJXGJUUNJHQP-OTGIAGGSSA-N 377.307 4.221 50 40 GIGB Cc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(I)cc1 408763427 DTPMJHHLYCIKQM-UVTDQMKNSA-N 388.208 4.145 50 40 GIGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1 8558510 OLQWJPWWFRKNCN-FOKLQQMPSA-N 377.366 4.064 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 409221391 PQALJRZRNUXTOS-GZQZNAIASA-N 394.858 4.145 50 40 GIGB Cc1ccc(Cn2cc(/C=N/NC(=O)[C@@H](O)c3ccccc3)c3ccccc32)cc1 409359615 PHJTVBWZIDKUIZ-ZDXRRBIGSA-N 397.478 4.182 50 40 GIGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 408790047 MSHCJPHAKXCMQF-MHWRWJLKSA-N 398.846 4.136 50 40 GIGB O=C(C(=O)[C@H](Br)c1ccccc1)[C@@H](Br)c1ccccc1 4265685 WZJCXRWEUWNMAM-OKILXGFUSA-N 396.078 4.397 50 40 GIGB biogenic COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 2632409 OKCIFVNSXQOQAB-MDWZMJQESA-N 375.211 4.326 50 40 GIGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3192703 PVKJSRVIUBMOQX-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB O=C(N/N=C/c1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1O 4703535 KSVVMUYYIAQDLJ-CNHKJKLMSA-N 388.048 4.225 50 40 GIGB COC(=O)N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O 4739442 CXKANYMCYDCZQP-VBNSEIGASA-N 377.198 4.260 50 40 GIGB O=C(N/N=C\c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12 12367473 NZONBJBNHBVJMR-LZCXMDQRSA-N 398.422 4.071 50 40 GIGB COc1cc(Cl)c(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OC 66202216 VKWGUZPHIFLGSG-YDZHTSKRSA-N 382.847 4.203 50 40 GIGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(N)=O)cc3)n2)cc1 100601054 CNKLECDVOHBUQB-FOWTUZBSSA-N 390.468 4.284 50 40 GIGB Cc1cc(Br)cc(C)c1C(=O)[C@@H](Br)CBr 308792938 JALZOUNQTDRXNR-VIFPVBQESA-N 398.920 4.407 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1OCC 408719379 CUFUIQHODQJFKU-QFNCUCFLSA-N 384.501 4.281 50 40 GIGB CCn1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 408751086 WGMPGHVHSVUOCW-ONUIUJJFSA-N 397.478 4.047 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(N(C)C)cc2)cc1 408849266 VTNKJVOYXVYSOO-ICFOKQHNSA-N 386.455 4.098 50 40 GIGB O=C(CNC1CCCCC1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 409385069 HCTMCJVTKVPRJI-AFUMVMLFSA-N 399.922 4.291 50 40 GIGB O=C(COc1ccc(Cl)cc1)N/N=C/C(Br)=C/c1ccccc1 3081360 VTYOKCFXLYEFFF-MCXKGUMDSA-N 393.668 4.257 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccccc1F 59334269 IJDGVXRLQKXWPV-NVNXTCNLSA-N 388.826 4.062 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCC 1410910 JWIYOZGSEIIYAX-QGOAFFKASA-N 392.455 4.464 50 40 GIGB CCCCCCSC1=C(C#N)[C@@H](c2ccccc2C)[C@H](C(=O)OC)C(=O)N1 6050901 RNTXTVRKFATPHU-MSOLQXFVSA-N 386.517 4.046 50 40 GIGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)c1 408544828 VKPMLJORXOVAPX-AQTBWJFISA-N 385.423 4.338 50 40 GIGB Cc1ccc(OCCOc2ccccc2/C=N/NC(=O)NC2CCCCC2)cc1 5929220 LKNPVJQXAYNWEK-JJIBRWJFSA-N 395.503 4.419 50 40 GIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(N2CCCC2)c2ccccc12 409233341 VBRYMDCCDWPWBV-XYGWBWBKSA-N 375.447 4.272 50 40 GIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 409366200 SXRFQYLBIMXLPT-YDZHTSKRSA-N 396.830 4.064 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccccc1F 11286253 HRRZUALMBOMTOI-RVDMUPIBSA-N 376.343 4.330 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)N1CCCCC1 4173372 AVUCNRWHQFOMDB-JLHYYAGUSA-N 385.807 4.428 50 40 GIGB C/C(=N/NC(=O)c1cc(-c2ccc(CC(C)C)cc2)[nH]n1)c1ccccc1O 9041453 UBQHOZNBEIZQCN-HAHDFKILSA-N 376.460 4.135 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 2755898 GLDHAWOUBMTNHD-WSDLNYQXSA-N 394.302 4.369 50 40 GIGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@@H](O)c1ccccc1 1248183 PGOLRVCYBFAMOA-AMAFCZHPSA-N 388.345 4.149 50 40 GIGB N#CC1=C(N)Oc2c(c(=O)n(-c3ccccc3)c3ccccc23)[C@@H]1c1cccs1 1428550 QCIMUCBMQNRJMK-IBGZPJMESA-N 397.459 4.270 50 40 GIGB Cn1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2ccncc2)n1 63276418 XVUCSHRUFLAAOB-AWNIVKPZSA-N 398.253 4.335 50 40 GIGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C3CCCCC3)c2)c(C)c1 4865413 VKSGMCVTQSBAER-UHFFFAOYSA-N 399.516 4.154 50 40 GIGB COc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1 409241177 JGCRXLSHUJNEBO-PNWWAVQQSA-N 375.472 4.080 50 40 GIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)cc1 5662157 WFLIMJSISRKZAD-XDJHFCHBSA-N 398.418 4.460 50 40 GIGB N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 16399910 SMDCDTCWFMDXQN-ONNFQVAWSA-N 378.171 4.153 50 40 GIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 5515421 USWBPSJQEQXJKW-AEOXGOBCSA-N 389.908 4.319 50 40 GIGB CC1CCC(=NNC(=O)CCCCCC(=O)NN=C2CCC(C)CC2)CC1 5915668 OIXWQXKMWPHSLT-UHFFFAOYSA-N 376.545 4.302 50 40 GIGB Cc1[nH]nc2c1[C@@H](c1cccc(OCc3ccccc3Cl)c1)C(C#N)=C(N)O2 5941129 UQUMCAOFQCOOAC-IBGZPJMESA-N 392.846 4.169 50 40 GIGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OC 408815303 JAQSGGHCTPMGBV-UCQKPKSFSA-N 378.428 4.333 50 40 GIGB O=C(N/N=C\c1ccc(O)c(Cl)c1)c1cc2cc(Br)ccc2o1 408849952 BNLYDTYHEWRBMW-UWVJOHFNSA-N 393.624 4.318 50 40 GIGB Cc1ccccc1CSCC(=O)N/N=C/c1cccc(Br)c1 1424895 VJILEMWLHJONJQ-VXLYETTFSA-N 377.307 4.141 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccccc1 2096302 GMKYYFPVKPAJSX-BUVRLJJBSA-N 390.439 4.047 50 40 GIGB COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2)sc2c1CC[C@@H](C)C2 4860757 BDYIAVDABYBAIH-LKKYZFDUSA-N 380.469 4.205 50 40 GIGB COc1cccc(C(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)c1 6295501 LVWPQJVGJWPONT-PCLIKHOPSA-N 387.439 4.102 50 40 GIGB COc1cc(Cl)c(C)cc1N1C=C(C#N)S(=O)(=O)c2ccc(F)cc21 44167194 PRPCYGHCOQVLLW-UHFFFAOYSA-N 378.812 4.087 50 40 GIGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1ccccc1Cl 58917022 RKECIEHWMWYQJR-YDZHTSKRSA-N 381.863 4.277 50 40 GIGB CCO[P@@](=O)(c1ccccc1)c1nc(/C=C/c2ccccc2)oc1N(C)C 102956388 HSOBVNYHWIEAEY-VHRAYMLOSA-N 382.400 4.176 50 40 GIGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1 409147730 YUTQHAYLUFBTAS-SSDVNMTOSA-N 398.802 4.071 50 40 GIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 409253626 XLVXAARJTMVLOD-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 59433858 DERBFGPNXYXSFU-OEAKJJBVSA-N 393.830 4.221 50 40 GIGB COc1cccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1OC(C)C 4524073 JHUOLMSIFDMJMB-FOKLQQMPSA-N 380.366 4.265 50 40 GIGB C/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1ccccc1O 16134330 YIYILRUJWOPAKY-LPYMAVHISA-N 397.272 4.391 50 40 GIGB COc1ccc(NC(=O)[C@@H](Br)Cc2ccccc2Cl)c(OC)c1 96345900 CYFZSTSBKNPTNV-ZDUSSCGKSA-N 398.684 4.302 50 40 GIGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1C 408540797 BUTMLRZRJSNJAN-AQTBWJFISA-N 385.423 4.338 50 40 GIGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@@H]1c1ccc(Cl)cc1 20503733 GHSSBWKLEGPJLW-MRXNPFEDSA-N 385.876 4.148 50 40 GIGB NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(N(CCCl)CCCl)cc1 2036651 RCQXDTYWFBSBTE-QGZVFWFLSA-N 385.722 4.241 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3C(=O)O)o2)cc1 4723669 LMLAEGXSFCPUAF-OWBHPGMISA-N 388.379 4.199 50 40 GIGB COc1cc(Br)cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c1O 5906610 NOYIKVBMFKNAPW-WUXMJOGZSA-N 384.233 4.412 50 40 GIGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1O 6958796 QOGKFIYHISEGDQ-AWQFTUOYSA-N 399.299 4.340 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1 8812850 ZDRLOHNCWLPJHK-UDWIEESQSA-N 391.265 4.010 50 40 GIGB CC[C@H](Br)C(=O)Nc1nc2ccc(Br)cc2s1 20132271 LCCHAKXZBPYTFN-ZETCQYMHSA-N 378.089 4.171 50 40 GIGB Cc1cccc(C(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1 409268418 SYFNOUFZGXRZHW-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB COc1ccc(Br)cc1/C=N/NC(=O)c1cc2ccccc2nc1C 4525850 LRBZXYNCTGRTQT-SRZZPIQSSA-N 398.260 4.078 50 40 GIGB COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(Br)cc1 4735345 RSLRPWZUOWCBCR-LPYMAVHISA-N 397.272 4.304 50 40 GIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)c(OCC)c2)cc1 20197970 YUUDIPXVONLMIB-HZHRSRAPSA-N 384.476 4.425 50 40 GIGB C#CCOc1ccc(Br)cc1/C=C(/C#N)Cn1cnc2ccccc21 408691776 PTWIZHNSEVIACR-GDNBJRDFSA-N 392.256 4.418 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 1105251 AWQZYCXKXHTEAY-HYARGMPZSA-N 393.468 4.163 50 40 GIGB CC(=O)N/N=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118918951 JTSYJYALWDMECW-GMGLZYHUSA-N 388.552 4.453 50 40 GIGB C[C@@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 2172593 FLVKQSUCJXTORD-HHLQROKJSA-N 390.321 4.123 50 40 GIGB Cc1cccc(COc2ccccc2[C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1 409132743 LPSYZWHCMDDYIT-HSZRJFAPSA-N 384.435 4.498 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(C(=O)O)cc1 96466688 MHVCRAJCVAOSRD-UYRXBGFRSA-N 391.471 4.148 50 40 GIGB CC(C)(C)c1ccc(OCCOc2ccc(Cl)cc2/C=N/NC(N)=O)cc1 5726777 ANYONTHXSIDYID-YDZHTSKRSA-N 389.883 4.098 50 40 GIGB COc1cccc(-c2nc(C(=O)NNc3cccc(Cl)c3)cs2)c1OC 30616062 UYVOMYDZMVYKPX-UHFFFAOYSA-N 389.864 4.238 50 40 GIGB N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1cccc(F)c1 20348315 YHFJLAYMMWXWIG-GOSISDBHSA-N 379.460 4.041 50 40 GIGB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(SC#N)c([N+](=O)[O-])c1 101123746 NPBPQPDUPWSMQC-OQLLNIDSSA-N 397.391 4.026 50 40 GIGB CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)c(SC#N)c1C 7345668 DTDVXROGAORZMG-UHFFFAOYSA-N 376.459 4.067 50 40 GIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)CC(=O)N2)cc1 9088047 FBRMDULZRHYFNK-GOSISDBHSA-N 391.496 4.014 50 40 GIGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1 12292670 UYDMMPILVWZMGQ-GFCCVEGCSA-N 388.876 4.092 50 40 GIGB CN(C)c1ccc(/C=C(\C#N)C(=O)N2CCc3ccccc32)cc1Br 41074223 GACDJPUHCLXFKW-LFIBNONCSA-N 396.288 4.011 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1cccn1-c1ccc(Br)cc1 59679544 FGEMIHLMACABDH-FYJGNVAPSA-N 398.260 4.012 50 40 GIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)o1 408721868 ARCWRJYWRSRUEI-MIOHHHEFSA-N 397.431 4.140 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 408882401 QZSBIRHPNHHMPV-IZZDOVSWSA-N 392.198 4.456 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(C(=O)O)cc2)c(C)c1 408932146 BBSJGFVVIWHUIV-AQTBWJFISA-N 385.423 4.338 50 40 GIGB C/C(=N/NC(=O)CSCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 4409072 LJSHGVLFCKYUNF-UNOMPAQXSA-N 377.853 4.022 50 40 GIGB N#C/C(=C/c1cccc(Br)c1)c1nc(N)nc(Nc2ccccc2)n1 58192297 IOFIASUGFBFFSW-LCYFTJDESA-N 393.248 4.024 50 40 GIGB O=C(N/N=C/c1cc(Cl)c(O)c(Cl)c1)c1cccc(C(F)(F)F)c1 408962961 LKUFBHJQQRCOLA-QPSGOUHRSA-N 377.149 4.482 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(CC#N)c4ccccc34)cc2c1 409186922 JOZJRLDTJLIVSU-CFRMEGHHSA-N 386.411 4.074 50 40 GIGB N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2ccc3c(c2)OCO3)cs1 1250006 IQNFUUIRMNYDFI-MDWZMJQESA-N 391.408 4.244 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1c(Cl)cccc1Cl 20086681 LTZAAXKOFFRKFB-AWEZNQCLSA-N 397.217 4.134 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)c([N+](=O)[O-])c2)cc1 192545700 BVWKDWVTNCVDDA-JYRVWZFOSA-N 386.205 4.211 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1 208211579 XLDIBVFHTKHSMN-GCMSVZMUSA-N 379.504 4.490 50 40 GIGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1 408588814 JUPGVVYREJJHDK-BUVRLJJBSA-N 375.472 4.104 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC#N 408789831 METVCIDSUMHRCJ-XNTDXEJSSA-N 381.819 4.187 50 40 GIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408795624 MNWRHVOQJUJNRZ-NTEUORMPSA-N 383.791 4.359 50 40 GIGB CNC(=O)/C(C#N)=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 1052760 FAKPIUZRUBETKT-RMKNXTFCSA-N 397.681 4.500 50 40 GIGB Cc1c(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)c2ccccc2n1C 4045400 OEUFXZLQAJNALA-LSHDLFTRSA-N 390.270 4.323 50 40 GIGB CC(C)(C)C1=CC(=NNC(=O)c2cccc([N+](=O)[O-])c2)C=C(C(C)(C)C)C1=O 5624942 QDXPEFALJQAWMX-UHFFFAOYSA-N 383.448 4.208 50 40 GIGB N#C/C(=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(=O)NC1CCCC1 409192588 CLVIUKOPHXBHIN-PDGQHHTCSA-N 391.427 4.140 50 40 GIGB CC[C@H](C)c1ccc(NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C)cc1 8733035 RVIJMACWIPJSHR-SUMWQHHRSA-N 397.357 4.455 50 40 GIGB CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2cccc(Br)c2)CC1 59435593 HAJOPOAXLVZHEP-UHFFFAOYSA-N 394.313 4.096 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3C)c2C)cc1 28216261 KPANFUDWQGQYSQ-ZVHZXABRSA-N 375.472 4.240 50 40 GIGB O=C(CCCC[C@H]1CCSS1)N1CCC[C@H]1c1nnc2ccccn12 29079674 CAWKTKJOMYYDPY-GJZGRUSLSA-N 376.551 4.107 50 40 GIGB biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c(Cl)cccc1Cl 408921599 BGOBJPMCPGIKRP-JXMROGBWSA-N 392.198 4.456 50 40 GIGB O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1O 33246875 GEMXATNPGSOZAS-JAIQZWGSSA-N 385.217 4.179 50 40 GIGB CCOc1ccccc1C=NNC(=O)CCn1c2c(c3ccccc31)CCCC2 245238276 IMECBCDWKMNEJM-UHFFFAOYSA-N 389.499 4.459 50 40 GIGB O=C(NNC(=O)c1ccccc1Br)c1ccc(-c2ccccc2)cc1 5604520 SIVLXKIBCZLGSW-UHFFFAOYSA-N 395.256 4.191 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1Br 6170595 GZTZGEFNSJPVJZ-WQLSENKSSA-N 375.197 4.142 50 40 GIGB O=C(Cc1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 2523292 CBUFWFMJQVDREP-HZHRSRAPSA-N 386.480 4.294 50 40 GIGB CCO[P@@](=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1N(C)C 635342 SZSGVTHSLYVBTH-SANMLTNESA-N 390.807 4.326 50 40 GIGB Cn1c(/C(C#N)=C/c2ccc(I)cc2)nc2ccccc21 4887665 KPMBZEJANNKWJG-JLHYYAGUSA-N 385.208 4.242 50 40 GIGB O=C(N/N=C/c1cccs1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 5173191 AWJWNPULNBTXPH-CIAFOILYSA-N 383.860 4.418 50 40 GIGB C/C(=N\NC(=O)CCc1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 5381509 HZJNMJZEIRDNQS-LFVJCYFKSA-N 375.428 4.005 50 40 GIGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1 5542742 JZZJGBURSNAYRJ-UHFFFAOYSA-N 382.504 4.256 50 40 GIGB Cc1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3[C@@H]4CCCC[C@@]43C)o2)c([N+](=O)[O-])c1 408718842 NTEMEGVNJSGQST-RICRRJBLSA-N 381.432 4.440 50 40 GIGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc2c(c1)OCO2 409127635 DWHBMRGFZKHXAA-IFRROFPPSA-N 397.283 4.106 50 40 GIGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)c1 709829 QGUZREIGQGHJCL-QGZVFWFLSA-N 391.496 4.014 50 40 GIGB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N/N=C/c1ccccc1F 4698863 JDHZNCXQUQKAKG-KOEQRZSOSA-N 389.430 4.421 50 40 GIGB CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 4761742 WXHHHHNEVRGICV-LFIBNONCSA-N 375.384 4.068 50 40 GIGB CC(=O)Nc1ccc(/C=N/NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 5863427 NZJBFAHMJKCLTD-ZVHZXABRSA-N 398.422 4.217 50 40 GIGB CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(Cl)cc1 12363765 WMRHTIZEAZQGKH-QRVIBDJDSA-N 382.847 4.421 50 40 GIGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)c3ccccn3)cc2OC)cc1 12566340 DFQYQGREKVGOHK-QGOAFFKASA-N 386.407 4.382 50 40 GIGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccccc2Cl)c(Br)c1 30900874 WJKSDHYAEJMVRI-UKWGHVSLSA-N 395.684 4.248 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)OCc2nc(-c3ccccc3)cs2)cc1 40157163 MQDOXZUUNXVCJN-BOPFTXTBSA-N 376.437 4.469 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccnc2)cc(C)c1OCc1ccc(F)cc1 408855207 DHJITFGYGHRHGQ-BRJLIKDPSA-N 377.419 4.180 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Cl 408953284 PNGUHDZMHIGLGI-YBEGLDIGSA-N 379.847 4.096 50 40 GIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 409103090 AJKVMGXAZUVDME-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(O)c(Br)c1 409213447 VINBUJCZCSRZQI-QGMBQPNBSA-N 399.697 4.051 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccccn1 409243103 YOGRSPGATOELMO-JWGURIENSA-N 384.483 4.145 50 40 GIGB COc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(Cl)cc3)sc2c1 674959 IUJRGRIGJODPGK-UHFFFAOYSA-N 395.267 4.292 50 40 GIGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cccc(Br)c1 59160199 RSAKXEDCGFKOFW-FYJGNVAPSA-N 386.293 4.122 50 40 GIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1c(O)ccc2ccccc12 1052908 BUYRXQKHJWUJKM-LSHDLFTRSA-N 389.238 4.381 50 40 GIGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccc2c(c1)OCO2 409367885 IZXSLUOZVOTFIK-FSJBWODESA-N 376.412 4.120 50 40 GIGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1O 33782384 YOEQCDQHMWBYDB-AUWJEWJLSA-N 388.217 4.316 50 40 GIGB COc1ccc(Br)cc1/C=N/NC(=O)CCSc1ccccc1 5205732 MRUSWRKHRSRMQY-XDHOZWIPSA-N 393.306 4.090 50 40 GIGB CCOP(=S)(OCC)O/N=C(\N)c1ccc(OCc2ccccc2)cc1 4280569 IIHACFRMOCBPEL-UHFFFAOYSA-N 394.433 4.200 50 40 GIGB Cc1cc2c(cc1/C=C(/C#N)C(=O)N1CCOCC1)[C@@H](C)CC(C)(C)N2C(C)C 223597305 XWXSKHBHTHZHKN-HRVJUDJTSA-N 395.547 4.261 50 40 GIGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(I)cc1 408771833 JJXXIXWCWKQWCN-VCHYOVAHSA-N 398.631 4.099 50 40 GIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(Cl)c2)cc1OC 409309391 GMOOQWMYDUPIDG-FBHDLOMBSA-N 397.258 4.260 50 40 GIGB CCOc1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc3ccccc23)cc1 2747413 NPRLSYWVJPKHHR-LFVJCYFKSA-N 389.455 4.108 50 40 GIGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)N(C)C)cc2Br)cc1 59333910 OUPWCUSPDDWJRV-YVLHZVERSA-N 399.288 4.332 50 40 GIGB O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccccc1Cl 1434114 QVRJYKWABHZMTJ-ZVHZXABRSA-N 394.858 4.448 50 40 GIGB CCCCOC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)c1 1766546 LHQFQAWUVVHEJV-QGOAFFKASA-N 378.428 4.198 50 40 GIGB Cc1c(CC(=O)N/N=C/c2ccncc2)c2ccccc2n1Cc1ccccc1 18191839 WSECSAFTZKXTRL-WGOQTCKBSA-N 382.467 4.086 50 40 GIGB N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)Nc1ccccc1Cl 23723911 XMWIUWDRWUQVFC-YRNVUSSQSA-N 377.625 4.354 50 40 GIGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(F)cc3)c2C)cc1 409235059 AURKLUHLPBPVCI-MYYYXRDXSA-N 377.463 4.488 50 40 GIGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccccc2)cc1)OCO3 409095255 BPXRUPZGLOGYEI-HSZRJFAPSA-N 398.418 4.212 50 40 GIGB Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 408881602 NVHAMCAEIGLWEM-UUYOSTAYSA-N 378.819 4.320 50 40 GIGB N#CC(C#N)=C1C=C(/C=C/c2ccc(N3CCOCC3)s2)Oc2ccccc21 27515375 KHOBCMSFTMKDAF-AATRIKPKSA-N 387.464 4.375 50 40 GIGB O=C(NNc1ccccc1C(F)(F)F)c1ccc(N2CCCCCC2)nc1 29820827 PFHSIVXCOMBTMP-UHFFFAOYSA-N 378.398 4.238 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCCC2)c(F)c1 107653710 JGKVKIWQEKMJBM-MFKUBSTISA-N 391.446 4.352 50 40 GIGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)Cc2cccc3ccccc23)cc1 4106639 RHQBREAIFUTJGK-NLRVBDNBSA-N 396.494 4.389 50 40 GIGB Cc1n[nH]c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 4473512 NVPHARSGOBKJFA-LJQANCHMSA-N 392.846 4.169 50 40 GIGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1cc(Cl)cc(Cl)c1 7165232 LBYRBQIQTNDUIL-LFYBBSHMSA-N 391.210 4.002 50 40 GIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(OC)cc2C)cc1 408788504 KLVBLALNOMAPPD-WOJGMQOQSA-N 392.455 4.459 50 40 GIGB CCOc1ccccc1/C=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2 33147679 IMECBCDWKMNEJM-UQQQWYQISA-N 389.499 4.459 50 40 GIGB CNC(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccc(C)cc2)o1 1095125 RXZGKUXLKQNYTG-XFFZJAGNSA-N 377.263 4.155 50 40 GIGB C=CCn1c(-c2ccc(OC)cc2)c(C)s/c1=N\NC(=O)Nc1ccccc1 3079190 GXNPYYRKXLAYNY-FLFQWRMESA-N 394.500 4.357 50 40 GIGB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)[C@H](C)Cl)cc2)c1C 14405350 PBLWPFYQUBYSQT-LBPRGKRZSA-N 376.888 4.118 50 40 GIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 1512804 AAKDAJZSPGLNQS-RVDMUPIBSA-N 389.367 4.409 50 40 GIGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 859747 RJLDHCMLHZNKPJ-MDWZMJQESA-N 375.211 4.326 50 40 GIGB N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)NCCc1c[nH]c2ccccc12 1462489 YMVMNJKSEHIUJV-LTGZKZEYSA-N 398.510 4.424 50 40 GIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(N3CCCC3)o2)c1 59138252 PJTSQGIKMJAFOK-HZHRSRAPSA-N 376.460 4.051 50 40 GIGB Cc1nc2c(cc(OCC(=O)NN(C)c3ccccc3)c3ccsc32)s1 58377865 ZQIFOVPFPGINGD-UHFFFAOYSA-N 383.498 4.366 50 40 GIGB COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1 5155521 PHKAKNHASCKVMZ-VIZOYTHASA-N 398.267 4.349 50 40 GIGB CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)n[nH]2)cc1 4982037 WABVMRMRWGHBOA-HZHRSRAPSA-N 392.459 4.115 50 40 GIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 28217544 FNNLDXXZLUNJJF-ZVHZXABRSA-N 375.472 4.483 50 40 GIGB CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c21 8382640 KATJOPMLPPFSRV-GOSISDBHSA-N 390.418 4.221 50 40 GIGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 408794717 BDCMFHLYATWAJK-MHWRWJLKSA-N 380.831 4.215 50 40 GIGB COc1cc(OC)c(/C=C(/C#N)Cn2cnc3ccccc32)cc1Br 408691590 HDHPWYLZQMNOAN-QPEQYQDCSA-N 398.260 4.423 50 40 GIGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1O 408598873 KQECALAKNSAURZ-KPKJPENVSA-N 382.401 4.232 50 40 GIGB Cc1ccc(C(=O)OC[C@H]2C[C@H](Cl)O[C@@H]2OC(=O)c2ccc(C)cc2)cc1 584577840 VRKFEZPHCNSJOU-DBXWQHBBSA-N 388.847 4.245 50 40 GIGB Cc1cccc(C(=O)NNC(=O)CSc2nc3cc(C)cc(C)c3cc2C)c1 932961 DIUOGUFEOOPXOP-UHFFFAOYSA-N 393.512 4.022 50 40 GIGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc(Cn2cccn2)c1 1081858 KVRQKIRDYQSRQO-KOEQRZSOSA-N 396.450 4.488 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Br)cc2)[C@@H]2CCCC=C12 1085007 GUSVBKUKGORYQU-WBVHZDCISA-N 379.261 4.043 50 40 GIGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccccc1Br 58915621 MZRIHFQBOOYAKH-DJKKODMXSA-N 397.725 4.486 50 40 GIGB CC(C)c1ccc([C@@H]2C(C#N)=C(SCC(N)=O)N=C3CCCC(O)=C32)cc1 100703040 UJPAGVBLYYVFTP-LJQANCHMSA-N 381.501 4.298 50 40 GIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 408790515 PVGKQAVLIOFOHL-LFIBNONCSA-N 396.830 4.237 50 40 GIGB C/C(=N\NC(=O)c1ccc(F)cc1)c1cccc(NC(=O)c2ccccc2)c1 408867404 MBYOPBKGTQNDMO-MFKUBSTISA-N 375.403 4.232 50 40 GIGB Cc1ccccc1C1(C(=O)NNc2nc(-c3ccccc3)no2)CCCCC1 1136816461 HEIYUFNJGQHOCY-UHFFFAOYSA-N 376.460 4.390 50 40 GIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2c(C)cc(C)cc2nc1Cl 898816 LSNFDVOLNYHZPN-SFHVURJKSA-N 397.862 4.150 50 40 GIGB N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 720236 AQWHYJLLUZFKNL-LJQANCHMSA-N 395.384 4.409 50 40 GIGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1O 100048788 HRYJQGZHPXKUQL-CIAFOILYSA-N 381.259 4.398 50 40 GIGB CCCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC 1837073 OHQRARSSWGWVIG-FQEVSTJZSA-N 396.487 4.325 50 40 GIGB COc1cccc([C@H]2C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c1 66089465 JZUMBWVLISZPQF-NRFANRHFSA-N 389.430 4.139 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)c([N+](=O)[O-])cc1OC 40139935 JHBYWEVTIGLZEQ-XGICHPGQSA-N 395.346 4.022 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cccs1 5582357 GVPBDNITKNZLDI-GIJQJNRQSA-N 375.793 4.334 50 40 GIGB CN1CC2=C(OC(N)=C(C#N)[C@H]2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1 20808125 ABJNAKNMXMXAFN-ZXSWEOGUSA-N 391.421 4.056 50 40 GIGB CCOc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)ccc1O 655443 ZHNRRBYFLMNJAQ-UDWIEESQSA-N 378.881 4.077 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1[C@H]1CC=CCC1 987220 JFSVEAUYKTUNDP-NHYWBVRUSA-N 397.276 4.365 50 40 GIGB COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc(C)cc2)cc1 2494622 CRQRNXOUAVXWRS-VGOFRKELSA-N 386.451 4.212 50 40 GIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 3116075 BSCNVQCHXMWIEL-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12 7748429 YNECOIGMJWZXKT-GZTJUZNOSA-N 388.423 4.411 50 40 GIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCCC)c(OCC)c2)cc1 20197968 HCZAPCAQKGZQHZ-XQNSMLJCSA-N 384.476 4.427 50 40 GIGB O=C/C(=C\Nc1ccc(C(=O)N2CCCCC2)cc1)c1nc2ccccc2o1 100558424 FDYRPGXOMRIADK-SAPNQHFASA-N 375.428 4.106 50 40 GIGB N#Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc(F)cc3)c3ccccc32)c1 8812476 XNAUNEKUJVXHCM-MZJWZYIUSA-N 396.425 4.464 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC#N 408789606 QFESTOKMYQSZQH-CXUHLZMHSA-N 395.846 4.414 50 40 GIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@]43C)o2)c1 408724389 DXQCBZKVHFFWBS-NBTDYFALSA-N 394.471 4.400 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@@]43C)o2)c([N+](=O)[O-])c1 16184401 IIXBOOKEPNZPRD-CGXUKVIWSA-N 397.431 4.140 50 40 GIGB COc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OC 409366534 VQDIJAXCZWVHSJ-ZSOIEALJSA-N 391.208 4.373 50 40 GIGB N#C/C(=C/c1ccc(I)cc1)c1nc2ccc(F)cc2[nH]1 408566551 HQOFDAQSQVXWSO-XFFZJAGNSA-N 389.171 4.371 50 40 GIGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1OC 33668756 XPVQOCFYABPQPY-LGMDPLHJSA-N 380.444 4.428 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)C(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 44027229 ICLBDCKWPVYILL-YVLHZVERSA-N 380.400 4.314 50 40 GIGB CC(C)c1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1893332 JEOAURHGNUUGNF-SFHVURJKSA-N 394.456 4.018 50 40 GIGB C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2ccccc2I)C1 12403937 XPBCAPUPOVQBTA-LAVFMPCWSA-N 394.256 4.309 50 40 GIGB N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)Nc1cc(Cl)ccc1Cl 33458810 ZKPFBPLMQUQQSU-GHXNOFRVSA-N 375.211 4.310 50 40 GIGB CC(C)(C)[Si](C)(C)Oc1cc(O[Si](C)(C)C(C)(C)C)cc(B(O)O)c1 198080719 SXNSBBDBUUDIFQ-UHFFFAOYSA-N 382.458 4.134 50 40 GIGB N#C/C(=C\c1ccc(I)o1)Sc1nc2ccccc2[nH]1 408599276 RRNZHZVYVRYGSX-JXMROGBWSA-N 393.209 4.417 50 40 GIGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3)c2C)cc1 408758963 VOWQVTXLESSDGI-BUVRLJJBSA-N 375.472 4.429 50 40 GIGB O=C(N/N=C\c1ccc(-c2ccccc2)o1)c1cc(Br)ccc1O 409062798 AWNUAAWZHFJKJN-JAIQZWGSSA-N 385.217 4.179 50 40 GIGB O=C(CCl)Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCC2 923030 KVTPKTMGIDEWOW-UHFFFAOYSA-N 398.709 4.408 50 40 GIGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(Br)cc1 1054761 XNVVVGFXKYSZMG-WSDLNYQXSA-N 382.261 4.165 50 40 GIGB Cc1c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2n1C 1242928 SAXXXHBGHLXPKA-LSHDLFTRSA-N 390.270 4.323 50 40 GIGB O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1ccccc1Cl 1260464 FALCIHSZSHNLIH-UHFFFAOYSA-N 395.890 4.025 50 40 GIGB N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1ccccc1F 2439650 RDEOWNAXPKGFPC-MRXNPFEDSA-N 383.423 4.184 50 40 GIGB CC(C)COc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 4679353 DNNIXQIHXCTZDH-DEDYPNTBSA-N 387.483 4.469 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1 5337639 WTMKNZCGQOYKDA-LPYMAVHISA-N 376.416 4.075 50 40 GIGB CCOC(=O)/C(C#N)=C\Nc1cc2c(cc1Br)-c1ccccc1C2=O 12139505 AQDCVXBSINBJDM-KHPPLWFESA-N 397.228 4.043 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 20764059 FLDMNFICXSDXIJ-LPYMAVHISA-N 393.399 4.326 50 40 GIGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc(Cl)cc2)c1Cl 23230818 YECNDXKZNXQYPU-PTXOJBNSSA-N 378.046 4.041 50 40 GIGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(N2CCCC2)cc1 38205856 ZPRBSGYCNBBAGS-BKUYFWCQSA-N 396.541 4.139 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)ccc1O 408772774 RCQFAWPKKOSZNC-LGMDPLHJSA-N 379.460 4.183 50 40 GIGB Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)cc1C 408852844 JGYZVADENBDJQF-HAHDFKILSA-N 375.476 4.316 50 40 GIGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c1 409362707 JXDLEZPTTOOXAK-YDZHTSKRSA-N 391.427 4.473 50 40 GIGB O=C(CNC1CCCCC1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 409379699 YLQWTJPHTKBSDN-AFUMVMLFSA-N 399.922 4.291 50 40 GIGB CCCCc1ccc(OCC(=O)N/N=C/c2cc(Cl)ccc2[N+](=O)[O-])cc1 2751687 GFCHRKLWODYLAJ-CIAFOILYSA-N 389.839 4.120 50 40 GIGB C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)Cc1ccccc1 100927764 MGPOIBFCOCEUKT-WSDLNYQXSA-N 378.259 4.057 50 40 GIGB CC(C)(C)C(=O)N[C@@H](C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1 3096277 WDLGKHUJFIQHMD-QGZVFWFLSA-N 398.270 4.293 50 40 GIGB COCCNC(=O)/C(C#N)=C/c1cn(Cc2ccccc2Cl)c2ccccc12 1738429 ORTVOQFTVFPKHH-SFQUDFHCSA-N 393.874 4.013 50 40 GIGB CC(C)(C)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1 2299464 KQQUSJWQMDYCMN-SRZZPIQSSA-N 389.839 4.075 50 40 GIGB O=C(Cc1ccc(F)cc1)N/N=C\c1cccc(OCc2ccccc2F)c1 409242481 VGGPLFAGWAJFGE-QFEZKATASA-N 380.394 4.237 50 40 GIGB CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 713510 WACMHYWFIFGZDX-QFIPXVFZSA-N 385.467 4.390 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1ccccc1 4740780 OLPBGAUDCAXQJY-BUVRLJJBSA-N 390.439 4.134 50 40 GIGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc21 208202621 SMKDCFAMCKIXNI-KOUDTOEKSA-N 380.448 4.081 50 40 GIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Cl)cc1 408567447 DZBODARVQMGZTF-RGVLZGJSSA-N 392.933 4.348 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2cccc(F)c2)cc1 409125512 MVSCHAMYIZZTRD-JOCHJYFZSA-N 388.398 4.328 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1C 7637881 BXTHQSZZKDFNIE-FNUHDPNESA-N 377.488 4.446 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(F)cc1 7894309 UNGBXCJYLIBRTG-DHRITJCHSA-N 396.393 4.316 50 40 GIGB N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)C(=O)Nc1ccc(O)cc1 107971615 RFMNGFAFRRUKMM-YHYXMXQVSA-N 393.624 4.059 50 40 GIGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1O 1091004 DAPVJUTZVJDBCR-NTUHNPAUSA-N 387.233 4.017 50 40 GIGB Cc1cccc(COc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2)c1 4544381 SPJLAZWBBBIGQI-MFKUBSTISA-N 388.467 4.412 50 40 GIGB Cc1ccc(SCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 7652969 JCKPUDDTHQYOSJ-UHFFFAOYSA-N 390.508 4.067 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)c(OC)c2)cc1 408743333 FUVSDCMRCJBLBP-ATVHPVEESA-N 380.444 4.427 50 40 GIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 33718814 XBBGHBVTGYZELS-WSDLNYQXSA-N 381.819 4.322 50 40 GIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(Br)cc2)cc1 409110162 STRLIGUBCKXQHD-MDBUFAAASA-N 377.307 4.388 50 40 GIGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Br)c1cccs1 5288342 WKHJADVJRIPLEM-RQZCQDPDSA-N 387.686 4.083 50 40 GIGB Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(Cl)cc2)c(Br)c1 910306 TXOKFWFNUSVWOV-AWQFTUOYSA-N 395.684 4.248 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 5721167 MCXAXFGXOZUXKB-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB CC(/C=C/c1ccccc1)=N/NC(=O)c1ccn(Cc2ccc(Cl)cc2)n1 5455315 MEEAWJFHCRVXRW-MPKIFBOJSA-N 378.863 4.404 50 40 GIGB CC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(OC)c(OC)c1 6377845 KQGQWEMTUHVYBI-PTGBLXJZSA-N 378.428 4.107 50 40 GIGB Cc1ccc(C(=O)N/N=C(\C=C\c2cccc([N+](=O)[O-])c2)c2ccccc2)cn1 5547498 NSNWCAKGERORBT-CHPRUMMPSA-N 386.411 4.146 50 40 GIGB N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1cccc(OCc2ccccc2)c1 20086219 XVYJOPIUWYKZFC-QFIPXVFZSA-N 393.450 4.433 50 40 GIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Br)cc2)cc1 3139769 ALZZDODIFSQPKJ-CIAFOILYSA-N 389.293 4.276 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(OCC)c1 38824213 BDZPLUPQAFXEGH-UDWIEESQSA-N 391.265 4.010 50 40 GIGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccccc1C 4614255 SPMUXHFLMXANTC-ZMOGYAJESA-N 377.366 4.148 50 40 GIGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)COc1ccc(C)cc1C(C)C 4926060 CHXBCTLIPWQJPZ-JJIBRWJFSA-N 396.487 4.351 50 40 GIGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccc(SC(=O)N(C)C)c1 95469216 HLFJUCMAZOBDNH-FOWTUZBSSA-N 395.484 4.405 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC(C)=O 408984043 PMHFLCUJOZDNCZ-NVNXTCNLSA-N 384.819 4.128 50 40 GIGB Cc1cc(C(=O)[C@@H](Br)CBr)ccc1Br 307438870 MVGJFAMNODVABK-VIFPVBQESA-N 384.893 4.099 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1 903688 YPZCHWDPOYGXOZ-GIJQJNRQSA-N 383.698 4.345 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccccc1 2768162 DNHJXPHVZRZSDO-XDHOZWIPSA-N 388.423 4.091 50 40 GIGB O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccc(N2CCCC2=O)cc1 8158452 SAWLRWKOBFEJLZ-UHFFFAOYSA-N 399.494 4.161 50 40 GIGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccccc1 13141604 IXCITWJCDNJWTH-XDHOZWIPSA-N 390.874 4.117 50 40 GIGB CC[C@H](C)c1ccc(OCCCOc2c(/C=N/NC(N)=O)cccc2OC)cc1 13943109 RSPAGHJMEYVMTN-WTJYETQFSA-N 399.491 4.059 50 40 GIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 20197423 JMWUGWIYDZGJBU-OEAKJJBVSA-N 392.411 4.198 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCCCC2)o1)c1ccc(N2CCCC2)cc1 408677458 QWRRXDOWCZRARX-HAVVHWLPSA-N 380.492 4.024 50 40 GIGB CC(=O)Oc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 408763880 PNNTZWZXMFOCNT-QPEQYQDCSA-N 375.211 4.464 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC)cc1 408791926 FJVVVPFMPIWICH-LFIBNONCSA-N 398.846 4.461 50 40 GIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 408885578 CFVQCQDKYOHSQI-AFUMVMLFSA-N 392.430 4.486 50 40 GIGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)cc1 409375505 LRQCWGZINIRAAA-AQTBWJFISA-N 387.439 4.354 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1 2792911 WRQUOMKLKQQNQF-SSDVNMTOSA-N 398.802 4.071 50 40 GIGB CCOC(=O)c1cc(C(=O)NNc2ccc(-c3ccccc3)cc2)c(C)nc1C 3268168 OEWOFZOUEUYDFM-UHFFFAOYSA-N 389.455 4.299 50 40 GIGB CC(C)(C)c1ccc(NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C)cc1 8733161 YEHDSJIQGPRVDC-INIZCTEOSA-N 397.357 4.239 50 40 GIGB CC/C(=N\NC(=O)c1cc(C)n(-c2ccccc2)c1C)c1cc(F)ccc1O 14543929 ZQSISAJUZOCELI-HIXSDJFHSA-N 379.435 4.483 50 40 GIGB O=C(COc1ccccc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 44835439 ICCFPSZHZBXMJK-WYMPLXKRSA-N 388.345 4.495 50 40 GIGB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C(C)C)cc2)N2C(=N1)SC(C#N)=C2N 408603849 HMEXZTBVRPBFNX-GOSISDBHSA-N 396.516 4.146 50 40 GIGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(OC)c2)c1C 408963679 ADWWXURVQAONHP-BUVRLJJBSA-N 375.472 4.429 50 40 GIGB CN1/C(=C(\C#N)C(=O)CSc2nc3cc(Cl)ccc3o2)Nc2ccccc21 102216957 OPODKWOQJBVFCJ-LDADJPATSA-N 396.859 4.439 50 40 GIGB COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1)OCO2 409097399 NNEVCIUUCPYQGF-NYYWCZLTSA-N 391.210 4.276 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC)c(OCC)c2)cc1 20764853 FZDSSPIHTBZMQB-LPYMAVHISA-N 390.867 4.300 50 40 GIGB CCOc1cccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)c1OCC(=O)O 408544597 VTBUQFPUWXCXOC-YBEGLDIGSA-N 391.427 4.106 50 40 GIGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)NC1CCCCC1 408781746 DHVGHPFTTBUXFW-VBKFSLOCSA-N 392.415 4.138 50 40 GIGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 2190250 NURBPWKVHOWODY-SSDVNMTOSA-N 392.286 4.207 50 40 GIGB CCCCCC/C(C)=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 4413008 QDLTZRVIVDADJC-HLELUFFISA-N 393.531 4.490 50 40 GIGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1OCc1ccccc1 8846153 SGPWVJGKFRCPLI-HSZRJFAPSA-N 399.450 4.075 50 40 GIGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Cl 408964205 BXDOIQSCOUTNFZ-LSFURLLWSA-N 380.206 4.167 50 40 GIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c1 28217545 KVOUJZLTJOVBQL-ZVHZXABRSA-N 375.472 4.483 50 40 GIGB CO[Si](CCCCCCCCCCCOC(=O)C(F)(F)F)(OC)OC 198065881 LPNHDSVPDRJBLH-UHFFFAOYSA-N 388.499 4.481 50 40 GIGB O=C(NNc1ncnc2ccccc12)c1cc(-c2csc3ccccc23)on1 1616030550 CTKBJGGVXHPAPA-UHFFFAOYSA-N 387.424 4.256 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)c1 6180057 RAHMFVIGGPOXRB-GHRIWEEISA-N 378.428 4.089 50 40 GIGB COCCCNC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 6429003 QXVAWSSUFBEJII-FMIVXFBMSA-N 379.243 4.313 50 40 GIGB C/C(=N\NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1cccc(O)c1 4678026 NIGGXOVOBHJGMQ-HZHRSRAPSA-N 376.460 4.135 50 40 GIGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@@H]1c1c(Cl)cccc1Cl 5749336 SCKBZTFWOZXPMB-HNNXBMFYSA-N 385.206 4.318 50 40 GIGB CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)NCc3ccco3)c2c1 13401402 IAQMGJDEFJKJFK-SFQUDFHCSA-N 390.439 4.454 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1ccc(O)cc1 51331051 OZOHIDRARVJQII-HNNXBMFYSA-N 399.237 4.307 50 40 GIGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(OC)c3)c2C)cc1 408764669 MWGGTYMHODVCLK-BUVRLJJBSA-N 375.472 4.429 50 40 GIGB COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 856134 GZMPMUBYDKCROS-HNNXBMFYSA-N 393.270 4.453 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC[C@@H]1CCCO1 2807788 DKYLBPHJHOJMLZ-QFTJCQGQSA-N 396.874 4.121 50 40 GIGB O=C(NNc1ncnc2sc3c(c12)CCCC3)c1ccccc1-n1cccc1 6831130 WZGHMCKRFSAMOC-UHFFFAOYSA-N 389.484 4.118 50 40 GIGB O=C(N/N=C/c1c(Br)sc2ccccc12)c1ccccc1O 6997828 LNZRDQYQUMXUKS-GIJQJNRQSA-N 375.247 4.133 50 40 GIGB COc1cccc(-c2n[nH]c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)c1 9360532 NOGHAIZIYRHJAD-OAHLLOKOSA-N 396.809 4.096 50 40 GIGB COc1cccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 19818084 XGZUPCNERJJPSG-WGOQTCKBSA-N 399.494 4.017 50 40 GIGB CC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19818113 RMTCWOPWKFTMDI-HTAPYJJXSA-N 385.423 4.480 50 40 GIGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1cccc(Cl)c1 101826113 XPEAVVJXFDOVFN-ZVHZXABRSA-N 383.879 4.353 50 40 GIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(C)cc2)c(C#N)c1C 107683347 PAJNXHGROZIJGT-CXUHLZMHSA-N 378.453 4.132 50 40 GIGB O=c1c2ccccc2n2c(CCl)nnc2n1-c1ccc(Cl)c(Cl)c1 408712834 VPOKIIFRLBEGNA-UHFFFAOYSA-N 379.634 4.079 50 40 GIGB Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccccc3O)c1)C2 408734213 DUVACQPVSLWNLF-DHRITJCHSA-N 385.467 4.293 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(OC)c2)cc1 408875413 IMTJPICDTCWBFE-NTUHNPAUSA-N 387.233 4.012 50 40 GIGB N#C/C(=C/c1ccccc1Br)C(=O)NCCc1c[nH]c2ccccc12 408957081 ZZKRVKAUGHRVSL-WJDWOHSUSA-N 394.272 4.196 50 40 GIGB COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 985278 CJSYUNISXWSYQL-SZNDQCEHSA-N 390.414 4.043 50 40 GIGB Cc1nc2c(o1)NC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Cl)cc1 1073903 SDOFPBRUXNABJO-SFHVURJKSA-N 392.846 4.467 50 40 GIGB Cc1ccc(S(=O)(=O)C[C@H](Cl)CSc2ccc([N+](=O)[O-])cc2)cc1 1098997 MFGGDFPBUZNTCH-CYBMUJFWSA-N 385.894 4.077 50 40 GIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1 1424863 QNZJXGJUUNJHQP-MDBUFAAASA-N 377.307 4.221 50 40 GIGB CCCCC/C(=N\NC(=O)CCC(=O)NCc1ccccc1)c1ccccc1 4523909 HDSSVBDHPBLCQI-NJNXFGOHSA-N 379.504 4.184 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2Cl)cc1OC 13573691 NNDQYLCUWLXTSP-FYJGNVAPSA-N 392.908 4.131 50 40 GIGB O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 18039420 HPGMKSUOIDWLFN-YDZHTSKRSA-N 393.374 4.077 50 40 GIGB CCOc1ccc([C@H]2CC(=O)N3CN(C4CCCC4)CSC3=C2C#N)cc1 20347976 LSZHKNGJJBSCEW-GOSISDBHSA-N 383.517 4.043 50 40 GIGB CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc1 36618838 GICANPALSUBLCT-KRWDZBQOSA-N 391.862 4.014 50 40 GIGB CCN(CC)C(=S)N=P(c1ccccc1)(c1ccccc1)c1cccn1C 102134565 DLLJKCJGOXKGNO-UHFFFAOYSA-N 395.512 4.129 50 40 GIGB Cc1ccsc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408567912 GUBZMJHDHMSOBX-VCHYOVAHSA-N 378.544 4.064 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(OC)cc2)cc1 408950919 GUFMJVQWYGGIBY-ICFOKQHNSA-N 387.439 4.430 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccccc2C#N)cc1 409130068 TXPTYCWDUCHIGA-QHCPKHFHSA-N 395.418 4.061 50 40 GIGB Cc1ccc(SCCC(=O)N/N=C/c2cccc(Br)c2)cc1 409136285 SGBXRIIUEBEISQ-XDHOZWIPSA-N 377.307 4.390 50 40 GIGB C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cccc2ccccc12 6312342 QCQMWZAAHOZTIZ-CIAFOILYSA-N 383.245 4.462 50 40 GIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccccc3)cc2)n1 8336686 HPRAFCPPOWOBNV-LPYMAVHISA-N 376.485 4.003 50 40 GIGB CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)c1ccccc1 28216663 YSMWBSSHJBRISO-GQBLCDNYSA-N 379.435 4.071 50 40 GIGB C/C(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)=N\NC(=O)c1ccco1 101483043 VJMUAPLPZVBPEE-LSFURLLWSA-N 387.745 4.086 50 40 GIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 212596479 VJBBKEGEPCVHBH-VBKFSLOCSA-N 380.831 4.296 50 40 GIGB COc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Sc1ccccc1 408719618 HXMFCHJFIBROSL-MKFNJMOCSA-N 393.306 4.089 50 40 GIGB CC1=NN(c2ccccc2)[C@@H]2OC(N)=C(C#N)[C@@H](c3ccc(C(F)(F)F)cc3)[C@@H]12 5416557 NZXNSIKKFXMYFR-QWFCFKBJSA-N 398.388 4.351 50 40 GIGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)cc1 108069244 NAQRBFRQHWWMCJ-OYKKKHCWSA-N 388.471 4.125 50 40 GIGB O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)Nc1ccccc1 409187571 RZKQXTWIQFRWMN-NDENLUEZSA-N 377.429 4.463 50 40 GIGB Cc1ccc(C)c(OCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 4671835 GXQMEKOXBBPYCB-UUYOSTAYSA-N 393.399 4.001 50 40 GIGB O=C(O)c1cccc(C(F)(F)F)c1P(=O)(c1ccccc1)c1ccccc1 95611991 IUJBFKGRNUFPDE-UHFFFAOYSA-N 390.297 4.043 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2Br)cc1 96663335 UVLRQHIHDVGANC-PTNGSMBKSA-N 399.244 4.171 50 40 GIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408800676 QNPUUEDBALOESL-CLXYIWAZSA-N 382.435 4.235 50 40 GIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1OC 408803696 SFUVQOYITGXKHV-SFQUDFHCSA-N 378.428 4.123 50 40 GIGB COc1ccc(C(=O)[C@@H](Br)CBr)cc1C(F)(F)F 575361388 ZVZYAYZWBLFCJI-QMMMGPOBSA-N 389.993 4.055 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCCCC2)o1)c1cccc(C(F)(F)F)c1 1106788 PHZMMJSUZNFLQR-YDZHTSKRSA-N 379.382 4.443 50 40 GIGB CCOc1cc(C(=O)N/N=C\c2ccccc2O)ccc1OCc1ccccc1 6355094 UIWVPKCXMGDSCP-IWIPYMOSSA-N 390.439 4.134 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 20764043 FEPSOFMKTKPXQT-LPYMAVHISA-N 393.399 4.326 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NC[C@H]1CCCO1 26964638 CJDLYYKEUOZTOA-LDCOFTPGSA-N 391.254 4.456 50 40 GIGB CC1(C)[C@@H]2CC=C(/C=N/NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)[C@@H]1C2 103149270 BKZJZFZLJPSXNW-WPYJZBODSA-N 390.409 4.150 50 40 GIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 408793704 PZOMTDICBPSEME-MHWRWJLKSA-N 398.846 4.136 50 40 GIGB O=C(NN(c1ccccc1)c1ccccc1)[C@H]1CCCN1C(=O)c1cccs1 409000310 VHEAVZRMUUVNGY-LJQANCHMSA-N 391.496 4.222 50 40 GIGB CC1(C)CC(O)CC(C)(C)N1SSN1C(C)(C)CC(O)CC1(C)C 1848351086 CPSYKPDAYFNVNQ-UHFFFAOYSA-N 376.632 4.226 50 40 GIGB COc1ccccc1/C=C/C=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 20933388 RLDDATGWVVFDRG-UZKWDSOLSA-N 399.665 4.062 50 40 GIGB CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 723725 VYMLCBMJKVIEMW-UHFFFAOYSA-N 395.286 4.131 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 59921776 LXAYWNOGDZBMGH-AFUMVMLFSA-N 393.874 4.481 50 40 GIGB N#CSCC(=O)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 226327832 JGFFXSQNNJRSLF-UHFFFAOYSA-N 388.246 4.410 50 40 GIGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccncc1 6962597 YFNUYYZKLGHGPF-FSJBWODESA-N 398.919 4.385 50 40 GIGB COc1ccc2cc(/C=N/NC(=O)[C@H]3C[C@@H]3c3ccccc3)c(Cl)nc2c1 5561272 WXQIWZOOWJVSLM-ZRNXJCNUSA-N 379.847 4.151 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3[C@@H]4CCCC[C@]43C)o2)cc1 408718884 SCKMAHLYTACQRU-IPDQXBBTSA-N 380.444 4.010 50 40 GIGB CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\NC(N)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 28294581 KJZFCRKXKZWGNY-NHNHHYIDSA-N 375.557 4.195 50 40 GIGB C/C(=N\NC(=O)CNc1ccc(Cl)cc1)c1ccc(Br)cc1 5221565 LMVPCLYRSPJBBU-RGVLZGJSSA-N 380.673 4.055 50 40 GIGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1 3529658 KMJGGHIGEQNDRH-SFQUDFHCSA-N 380.444 4.427 50 40 GIGB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@H]12 3882022 ZAWRSOOFVJIHLN-ZIVNCQHPSA-N 391.305 4.411 50 40 GIGB biogenic CC(C)(C)c1ccc(O)c(/C=N/NC(=O)c2ccccc2Br)c1 4543251 PMZSSFOXNLZCBZ-RGVLZGJSSA-N 375.266 4.216 50 40 GIGB CCCOc1ccccc1/C=N\NC(=O)c1ccc(OCCC)c(OCC)c1 6324731 ANSSLJIVHPLXHN-KQWNVCNZSA-N 384.476 4.427 50 40 GIGB Cc1ccc(-c2cs/c(=N\NC(=O)c3ccncc3)n2-c2ccccc2)cc1 12562024 ALDHKNSAYQUUMD-LVWGJNHUSA-N 386.480 4.155 50 40 GIGB CCOc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 51367130 LSEBXPVYZGSTHP-ZHRRBRCNSA-N 386.451 4.294 50 40 GIGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccc(Cl)c1)[C@H](Br)C2=O 100868246 DXTKBFJYTILFLZ-DQYPLSBCSA-N 384.701 4.437 50 40 GIGB O=C(N/N=C\c1ccccc1F)c1ccc2c(c1)CN(c1ccc(F)cc1)C2 408728410 LQWKQITWIVGXQZ-ROTLSHHCSA-N 377.394 4.249 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)cc2OC)cc1 408798346 WGMPYPXJCCCLNG-NTEUORMPSA-N 386.835 4.302 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccncc1 408967684 RRLPEXVXXLOZFJ-BRJLIKDPSA-N 386.377 4.272 50 40 GIGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1cccc(Cl)c1 409381796 NNYHRZZJNJUINR-ZMOGYAJESA-N 386.927 4.120 50 40 GIGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Nc3oc(OC)nc32)cc1CCC 5792931 JEZJNSFRLWDDNM-KRWDZBQOSA-N 382.464 4.066 50 40 GIGB C/C(=N\NC(=O)c1oc2ccccc2c1C)c1cccc(N2CCCC2=O)c1 7749399 MVOKYVJMSOFXPH-HZHRSRAPSA-N 375.428 4.022 50 40 GIGB CCOC(=O)NN(C(=O)OCC)c1ccc(/N=N/c2ccc(OC)cc2)n1C 17824597 AYHQWLTYYLIDSW-FMQUCBEESA-N 389.412 4.073 50 40 GIGB O=C(N/N=C/c1cccn1-c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 33624455 HNOAJSLWJKPIBF-FYJGNVAPSA-N 390.424 4.364 50 40 GIGB O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc(O)cc1 38375420 OHJYEXCGMBMVIT-JAIQZWGSSA-N 385.217 4.179 50 40 GIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1OCC 408745251 KVEXTRYKZZTKEE-AQTBWJFISA-N 390.439 4.042 50 40 GIGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 408872393 MMMOXVOMJZKHMG-WUXMJOGZSA-N 375.197 4.142 50 40 GIGB Cc1cc(NC(=O)N/N=C\c2ccc(O)c(Cl)c2)ccc1Br 408903999 CDOOQLLOGLPYMT-LSCVHKIXSA-N 382.645 4.272 50 40 GIGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C1CC(C)(C)CC2=O 409132638 QQQMIVMXNCTXDW-OAQYLSRUSA-N 393.531 4.193 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)cc1 6627527 VADXDQREZJQWQL-OEAKJJBVSA-N 390.443 4.004 50 40 GIGB CCC[C@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 100057438 HEANBIJUBAQVND-HXUWFJFHSA-O 377.444 4.481 50 40 GIGB O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885922 RNTVSMGKLUFFHA-UHFFFAOYSA-N 388.468 4.310 50 40 GIGB Cc1cc(N2C=C(C#N)S(=O)(=O)c3ccccc32)ccc1Br 38488018 WRDOSYFLTWGEQP-UHFFFAOYSA-N 375.247 4.048 50 40 GIGB COc1cc2c(cc1OC)CN(C(=O)CCCC[C@@H]1CCSS1)CC2 79193156 GZIOVSMXQGLXJG-MRXNPFEDSA-N 381.563 4.303 50 40 GIGB biogenic Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 409103674 DYLSQNXNMSLJKS-LGMDPLHJSA-N 381.863 4.031 50 40 GIGB COc1cccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)c1O 408739697 DPEPFFJLPFXITP-FSJBWODESA-N 397.862 4.226 50 40 GIGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 408981399 BCJARBDGBYZFDM-JMPLCFMRSA-N 392.846 4.076 50 40 GIGB Cc1ccc(OCC(=O)N/N=C\C(Br)=C\c2ccccc2)c(C)c1 30843100 WLJODOSDOFJZHK-PMECYBTQSA-N 387.277 4.220 50 40 GIGB CC(C)n1cc(/C=N\NC(=O)COc2cccc3cccnc23)c2ccccc21 15978797 AWYXHNREZVNEHP-MXAYSNPKSA-N 386.455 4.300 50 40 GIGB C=CCOC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccs1 40161568 RVFVQUWFWQUOMX-ATVHPVEESA-N 375.453 4.296 50 40 GIGB O=c1c2ccccc2nc(CBr)n1-c1cccc(C(F)(F)F)c1 3131512 VJDCKDOQYUBOKS-UHFFFAOYSA-N 383.167 4.299 50 40 GIGB C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)o1 25582780 FIFUQGBWLDSGDC-NCFHPSMTSA-N 396.244 4.466 50 40 GIGB C=C[Si](C)(C)O[Si](O[Si](C)(C)C=C)(c1ccccc1)c1ccccc1 169747825 OOGRAMOPTBMVKO-UHFFFAOYSA-N 384.700 4.137 50 40 GIGB COc1cc(/C=C/C(=O)NN)cc(Cl)c1OCc1cccc2ccccc12 226337855 WHKLJWSDEQRVRM-MDZDMXLPSA-N 382.847 4.084 50 40 GIGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc(F)c2)c(F)c1 408968337 VPNLFEHLEAYPAQ-LGJNPRDNSA-N 391.377 4.179 50 40 GIGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC 409073824 IVAZOYSMINPMAH-QGOAFFKASA-N 390.414 4.120 50 40 GIGB C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(NC(=O)c2ccoc2C)cc1 669097 SCCKYXKLFOHKDG-ZMOGYAJESA-N 379.391 4.133 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)c(C)c1 28217401 BHYRMXLXIFXZPT-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB O=C(N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1O 5516090 WVHPMIVKKKWUSK-DHRITJCHSA-N 387.414 4.298 50 40 GIGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Br)cc3)o2)cn1 4469737 ZXKSEEUMZAQABC-NHDPSOOVSA-N 384.233 4.176 50 40 GIGB O=C(Oc1ccccc1)[C@H](Br)[C@@H](Br)c1ccccc1 1646485 ZAXQJVJMPQUZSW-UONOGXRCSA-N 384.067 4.492 50 40 GIGB ClCCN(CCCl)CC1CCC(CN(CCCl)CCCl)CC1 104054257 ZZZHQSIGMXCEAG-UHFFFAOYSA-N 392.242 4.352 50 40 GIGB N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 5543407 ZVJREEWWSRAHPO-QINSGFPZSA-N 385.383 4.009 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccccc1Cl 33619202 CHEVUVOQYKNQLY-YVLHZVERSA-N 384.863 4.359 50 40 GIGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc1 408751336 DYTFTZBSUZQXHU-XZYLZBDPSA-N 375.472 4.382 50 40 GIGB CCOc1cc(C)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 7386984 CHUQWKGVWVQBEB-LFVJCYFKSA-N 395.503 4.157 50 40 GIGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccccc1Cl 30809201 DIXNXTDMYZTTPH-JJFYIABZSA-N 396.790 4.199 50 40 GIGB CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H](C)CC)cc2)cc1OC 1320065 LURITORNWARUQN-BRABVMKYSA-N 384.476 4.137 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(O)cc1 409241913 SSSYETWLPJWHNR-JWGURIENSA-N 399.494 4.456 50 40 GIGB CCOC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 6209230 UQUFVOWNUJOACC-MHWRWJLKSA-N 386.245 4.498 50 40 GIGB O=C(N/N=C/c1cc2cc([N+](=O)[O-])ccc2nc1Cl)c1ccccc1Cl 408728853 VPMQXACYRKUNKX-AWQFTUOYSA-N 389.198 4.214 50 40 GIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)cc3)o2)c1 409364992 YIUBLLDMKUEOPK-BUVRLJJBSA-N 390.439 4.125 50 40 GIGB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@](O)(CCl)[C@]12C 4775244 LSUMZADQUYYJTQ-VUIPWDCGSA-N 378.940 4.303 50 40 GIGB biogenic,in-vitro COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccncc2)c1C 33783051 WBAGWKTXNYVDQK-CVKSISIWSA-N 398.466 4.415 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1 15013336 PGSZMLSEUWQRBU-RGVLZGJSSA-N 387.233 4.358 50 40 GIGB C#CCn1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc21 6295452 XEQPWLGEAXUAQG-WSDLNYQXSA-N 381.888 4.170 50 40 GIGB Cc1ccc2c(Cl)c(C(=O)N/N=C/C(Cl)=C(\Cl)C(=O)O)sc2c1 2753518 YGKOMJVBJCLEQT-NWYCUQECSA-N 391.663 4.353 50 40 GIGB Cc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(Cl)c4)CC(=O)N32)cc1 12276082 HPEUZXYMBWVYSM-LAUBAEHRSA-N 396.899 4.292 50 40 GIGB CCCN1CCC(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 55075790 YYZHNPOGEIIZST-UHFFFAOYSA-N 386.499 4.493 50 40 GIGB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409239447 MTPVLDIIIRBFJT-OTTIKCOKSA-N 392.858 4.358 50 40 GIGB O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H]1c1nnc2ccccn12 29079661 CAWKTKJOMYYDPY-HUUCEWRRSA-N 376.551 4.107 50 40 GIGB biogenic COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)o2)cc1 408812225 NWYGYOABDJTLQJ-VBKFSLOCSA-N 390.370 4.418 50 40 GIGB CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc1 4508507 SOMDTEPWADWYKW-CXDFQFJYSA-N 394.471 4.059 50 40 GIGB O=C(COc1cccc2ccccc12)N/N=C/c1ccc(N2CCCCC2)cc1 4674132 BDRVDENERRILOV-KOEQRZSOSA-N 387.483 4.359 50 40 GIGB Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 4714506 APMPMEKINPIPHC-UUYOSTAYSA-N 393.399 4.001 50 40 GIGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cc(C)sc3C)c21 5408647 NNFTUCSNNMBEOL-QGZVFWFLSA-N 392.484 4.372 50 40 GIGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccco1 12574004 PVELTAHFISDMMS-RVDMUPIBSA-N 385.379 4.448 50 40 GIGB COc1ccc(-c2nc3cc(NC(=O)CCl)ccc3o2)cc1Br 226327964 UTNWSKZTFKHJCZ-UHFFFAOYSA-N 395.640 4.443 50 40 GIGB CC(C)NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccs1 40161455 XQHRMLMJMHFJKO-BOPFTXTBSA-N 376.485 4.091 50 40 GIGB COC(=O)c1ccc(NC(=O)[C@@]23CC[C@](C)([C@H]2Br)C3(C)C)cc1 100848802 ZTGOHZQTJFQOJK-ZTFGCOKTSA-N 380.282 4.002 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NC1CC1 59232845 HLUBAGCPYXCZAN-LFIBNONCSA-N 397.272 4.214 50 40 GIGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2cccc(Br)c2)o1 409006758 KSQLWPGTFCMHER-WSDLNYQXSA-N 394.228 4.345 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1OC 4380694 GGPVNDYVCFCKJC-CJLVFECKSA-N 386.517 4.094 50 40 GIGB COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6691016 ZRJOCDYQKQPUNN-HXUWFJFHSA-N 394.434 4.457 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccccc1 408979436 QOWWMDZCSILKGQ-UDWIEESQSA-N 387.439 4.335 50 40 GIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1 409362655 JQZFYUYTYYOUAA-AFUMVMLFSA-N 393.874 4.481 50 40 GIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c1 408883619 QLHCJTFRRWEMTG-ZVHZXABRSA-N 375.472 4.483 50 40 GIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1Br 409105421 JDKASRJNLBCTSN-VXLYETTFSA-N 381.657 4.265 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OC 40889223 CZQGMWQRRYPJKI-JYRVWZFOSA-N 387.233 4.012 50 40 GIGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1 101025340 OBLCOJWRFYHRFV-WWWPJVKLSA-N 387.483 4.414 50 40 GIGB CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Br)cc1 408774657 WXBNQBZYAPWULS-BOPFTXTBSA-N 399.288 4.460 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(N)=O 408881239 KIEMXOBGBRXIST-NTUHNPAUSA-N 391.652 4.074 50 40 GIGB Cc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21 872834 VALPHYMJPASHIS-NBVRZTHBSA-N 385.467 4.214 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1 3570297 IWMUVHBVSPJZQC-HYARGMPZSA-N 398.462 4.498 50 40 GIGB NC(=O)N/N=C/c1ccccc1OCCOc1ccc(C2CCCCC2)cc1 4511245 QJOIRVDUZJXHAS-LFVJCYFKSA-N 381.476 4.194 50 40 GIGB CN1/C(=C\C=N\NC(=O)c2ccccc2Br)C(C)(C)c2ccccc21 12511453 AHHYRYPJQFSHMQ-MYECPZRPSA-N 398.304 4.476 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br 408741174 KLEHPLUDHNEJFZ-RGVLZGJSSA-N 393.668 4.431 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1C(C)(C)C 408963841 DHWCANWHFQUSGC-SRZZPIQSSA-N 382.420 4.278 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(F)cc1 408965018 FKUMZRJLECRBMK-BRJLIKDPSA-N 378.382 4.008 50 40 GIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(=O)O)c2)o1 409210740 KWBPHHZIYHDWBP-FOWTUZBSSA-N 388.379 4.199 50 40 GIGB COc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1O 409361086 GPSKMBDENOVWKT-QPEQYQDCSA-N 377.181 4.070 50 40 GIGB CC(C)O[C@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br 1615196 KBAJNAKXIYPNNE-SDBXPKJASA-N 380.076 4.427 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1cccc(Br)c1 408960689 NVGPXFUZVXYQEK-KGENOOAVSA-N 386.293 4.203 50 40 GIGB O=C(N/N=C(\c1ccccc1)c1cccnc1)c1ccc(Br)cc1 5680309 ZTLMNYCZZGSGLI-RELWKKBWSA-N 380.245 4.027 50 40 GIGB O=C(Cc1cccs1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 38709187 GNUVAPXCNLTJRH-GRSHGNNSSA-N 389.820 4.263 50 40 GIGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1 4292574 UKJRHCCHFIBMIL-INIZCTEOSA-N 396.372 4.418 50 40 GIGB biogenic Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1 4292576 UKJRHCCHFIBMIL-MRXNPFEDSA-N 396.372 4.418 50 40 GIGB biogenic COc1ccc(/C=N/NC(=O)C2c3ccccc3Oc3ccccc32)c(OC)c1 830484 ZZYZMLOFCKADHN-ZVHZXABRSA-N 388.423 4.092 50 40 GIGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccco3)cc2[N+](=O)[O-])cc1 6814851 RDZMVUSDPJUKPU-UDWIEESQSA-N 381.413 4.411 50 40 GIGB CC(C)(C)[C@H](Br)C(=O)NCCC(=O)Nc1cccc2ccccc12 8733121 YISMDHRCLNECQP-QGZVFWFLSA-N 391.309 4.094 50 40 GIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C 28217552 LWHHQALNADQNCR-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 919212 YDCATICGBPCGHJ-UHFFFAOYSA-N 395.256 4.191 50 40 GIGB C[C@@H](NC(=O)C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1 3162264 GPZFUKBRSPMGSM-MOROIOLQSA-N 395.462 4.321 50 40 GIGB Cc1ccc(C(=O)OC[C@@H]2O[C@@H](Cl)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1 4543939 FJHSYOMVMMNQJQ-GBESFXJTSA-N 388.847 4.040 50 40 GIGB in-vitro CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)OC(C)C)cc1 4700821 QHASFRFIAZBKLN-UYRXBGFRSA-N 392.455 4.125 50 40 GIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1C(F)(F)F 4936598 NOTRDETWIAHXNC-ZVBGSRNCSA-N 379.363 4.089 50 40 GIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)cc1 5739721 YOXDYRGRGPIFJR-LDADJPATSA-N 391.496 4.388 50 40 GIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1OCc1ccccc1 8846154 SGPWVJGKFRCPLI-QHCPKHFHSA-N 399.450 4.075 50 40 GIGB O=C(N/N=C\c1c(Cl)cccc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1 13923910 WNSKCDKZQCWWCK-NKVSQWTQSA-N 377.206 4.287 50 40 GIGB CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Br)cc1 59334912 BWYWNBCQIQQKQN-WJDWOHSUSA-N 385.261 4.023 50 40 GIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(O)c(Br)c1 408744587 YRIZQIKJNLDZNT-XGICHPGQSA-N 393.244 4.163 50 40 GIGB Cc1cc2nc(/C(C#N)=C\c3ccc(I)o3)[nH]c2cc1C 408754123 PMERJMJUKPNSRB-XFFZJAGNSA-N 389.196 4.442 50 40 GIGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)c1 409135297 YEPILTNZNFPAJM-CQSZACIVSA-N 397.525 4.076 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCC2)c(F)c1 6970830 ICZNWISDHNRHBH-WSDLNYQXSA-N 391.899 4.322 50 40 GIGB Cn1nc(C(F)(F)F)c(COC(=O)CCl)c1Sc1ccc(F)cc1 1391439 RXDCMNRMFNCJMJ-UHFFFAOYSA-N 382.766 4.011 50 40 GIGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/Nc1ccccc1C(=O)O 104054399 SIEBDIBMFOHFSZ-LPYMAVHISA-N 394.302 4.423 50 40 GIGB CC(C)(C)OC(=O)N1[C@@]2(C)C[C@@H](Br)[C@H](Br)C[C@]12C 104277542 KVQHWEOFWCKLPY-PNZRWIHMSA-N 383.124 4.075 50 40 GIGB Cc1ccccc1C(=O)Nc1ccccc1C(=O)N/N=C/c1c[nH]c2ccccc12 4358024 HEAGKVLQCWNGMX-CVKSISIWSA-N 396.450 4.493 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccn2-c2cccc(C(=O)O)c2)c(C)c1 4600609 QXHNTJSBZPYAEE-QGOAFFKASA-N 385.423 4.338 50 40 GIGB Cc1cccc(N2CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N3C2)c1 6746244 WXELDYIUNMYZEP-SFHVURJKSA-N 379.460 4.354 50 40 GIGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)cc1 409134617 WROBNQAHBVJGHT-OAHLLOKOSA-N 397.525 4.021 50 40 GIGB N#C/C(=C/c1ccc(I)cc1)c1ccc(C(=O)O)cc1 408541791 HSQQVRZCEHDLLF-ZROIWOOFSA-N 375.165 4.054 50 40 GIGB O=C(COc1cccc2ccccc12)N/N=C\c1ccc(N2CCCC2)c(F)c1 409075096 UHTPTUSOQVCZKZ-MYYYXRDXSA-N 391.446 4.108 50 40 GIGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1O 33795188 VAIZTXUCJNTPOL-XGICHPGQSA-N 375.178 4.136 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 6595895 SQQSDUTZPPIQKD-OEAKJJBVSA-N 378.428 4.020 50 40 GIGB O=C(N/N=C/c1c(F)cccc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1 6861695 YLSBJKIBIAEXJH-UFWORHAWSA-N 377.784 4.366 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1cccc(C(F)(F)F)c1 1011054 RIUBIFKBNUWIBI-BRJLIKDPSA-N 386.377 4.272 50 40 GIGB CCCC[C@@H](Br)C(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12 2263191 KKFOZXMUYMFUQI-GFCCVEGCSA-N 381.270 4.155 50 40 GIGB CCc1cc(C)cc(OCC(=O)N/N=C/c2ccc(N3CCCCC3)cc2)c1 408850729 DETMKKUTOZUHON-LFVJCYFKSA-N 379.504 4.077 50 40 GIGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 408591231 SEXQVHTWULDTIS-BUVRLJJBSA-N 375.472 4.104 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@@]43C)o2)cc1[N+](=O)[O-] 408721976 BWNRYVUWOAHLNY-CGXUKVIWSA-N 381.432 4.440 50 40 GIGB Cc1cc(C)c2cc([C@@H]3C(C#N)=C(N)Oc4cc(N)ccc43)c(Cl)nc2c1 899600 QDPIBKRGPIMYQS-LJQANCHMSA-N 376.847 4.305 50 40 GIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(Br)o2)c1 947115 ZELIBZQQHGPPJW-DJKKODMXSA-N 379.254 4.003 50 40 GIGB N#CC1=C(O)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 2294707 QNJLNLDYOQFLLP-MGPUTAFESA-N 388.379 4.403 50 40 GIGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2cccs2)c2ccccc21 4083689 YQXXHPNBXJBPJV-ZMOGYAJESA-N 384.464 4.387 50 40 GIGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCC(=O)O 6656438 IBVHAHUROGBVGC-QPEQYQDCSA-N 375.783 4.405 50 40 GIGB O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 17014277 DSIPYNZRZNZMRS-ZVBGSRNCSA-N 377.206 4.287 50 40 GIGB Cc1ccc(C)c(OCC(=O)N/N=C\C(Br)=C\c2ccccc2)c1 30774292 JBSBFUXAMNYSFC-PMECYBTQSA-N 387.277 4.220 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1cccc(F)c1 59232949 PGACSKOZZCHVOD-WQRHYEAKSA-N 394.446 4.379 50 40 GIGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 59250453 PYZPYIJBPNXQDS-YBEGLDIGSA-N 399.878 4.221 50 40 GIGB N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(Cl)c1Cl 59336616 IBKBSGWPTAOPTC-WQLSENKSSA-N 375.211 4.310 50 40 GIGB CC(C)NC(=O)/C(C#N)=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 59942373 ZMHIBWAEDVQVOD-BOPFTXTBSA-N 388.427 4.029 50 40 GIGB CN(CC(=O)NN(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1 107776348 CARGCAYAGCNLFA-UHFFFAOYSA-N 389.455 4.125 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC 216047425 LWTXBBIMGUPPIZ-ZROIWOOFSA-N 384.794 4.045 50 40 GIGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(N)=O 408881831 KRSDQIJWNDZOJF-AWNIVKPZSA-N 391.652 4.074 50 40 GIGB Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(F)cc2)cc1 408997877 OSECMDPDWZPTKG-ZVHZXABRSA-N 375.403 4.150 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1OCC 3089310 DOLNEPVGXAUVNG-OEAKJJBVSA-N 398.528 4.342 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)cc1 59269703 CYRUSOBYFJSJBI-QGOAFFKASA-N 378.428 4.196 50 40 GIGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)O2 2323070 IDWDEWQSXNTNAC-SFHVURJKSA-N 396.372 4.418 50 40 GIGB Cc1cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)c(C)n1-c1ccccn1 409221603 SULGXNCXYBLFIU-XYGWBWBKSA-N 383.455 4.044 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc2c1OCCO2 44027376 BUZVGFFKMLIFGY-AWNIVKPZSA-N 394.814 4.391 50 40 GIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2C)c1 6963443 HNELBRPAQDRTBV-OJLHXUGZSA-N 384.483 4.468 50 40 GIGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(Br)cc2)cc1 59473563 NPVWFZPYIFODSC-VXLYETTFSA-N 377.307 4.141 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(C#N)cc1 9201969 MZBGKXYMPAHGIN-CVKSISIWSA-N 399.450 4.218 50 40 GIGB CC(C)(/C=N/NC(=O)CSCc1cccc(Br)c1)CCC#N 20248674 PCVUABWZRGFORZ-XDHOZWIPSA-N 382.327 4.114 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c(OC)c1 408974584 ZYMHEWCGFQCONV-OEAKJJBVSA-N 395.459 4.060 50 40 GIGB Cc1cc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(Cl)c2)cc(C)c1Cl 30937457 DLONQVQJYFUNGN-DNTJNYDQSA-N 396.230 4.048 50 40 GIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC)cc1OCC 6355050 VGQFEQDVLGIQFW-XKZIYDEJSA-N 388.851 4.076 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1cccc2ccccc12 59334243 HKJUDTFNQMENND-MOSHPQCFSA-N 386.451 4.423 50 40 GIGB COc1ccc2[nH]c(/C(C#N)=C/c3cccn3-c3cccc([N+](=O)[O-])c3)nc2c1 9263627 MOKKYMNKJPAAJG-GXDHUFHOSA-N 385.383 4.335 50 40 GIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1O 408799270 KCCLZRULKSFMPR-MDWZMJQESA-N 387.233 4.017 50 40 GIGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(C(C)(C)C)cc3)CC2=O)cc1 409150721 DKZKDHGRECPMQG-MGKUZBKYSA-N 391.515 4.050 50 40 GIGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)c2C)cc1 409371548 XCGAWJCUENSYAR-MOSHPQCFSA-N 388.471 4.198 50 40 GIGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1 408759987 POISSUDSUDLGOL-OEAKJJBVSA-N 390.443 4.329 50 40 GIGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21 408821169 DCMUETRXOYJVRR-GHRIWEEISA-N 387.439 4.059 50 40 GIGB COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1cccc(C)c1 409196536 PAHFMRCFBNVWGL-OEAKJJBVSA-N 394.496 4.337 50 40 GIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1OC 408804524 ARMPVUVZLSAEDP-XNTDXEJSSA-N 398.846 4.468 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 96400489 GYUVWSGVGVLXED-HVWNYYOVSA-N 399.487 4.149 50 40 GIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1795082 ASZGODAZYBINOA-GZTJUZNOSA-N 382.847 4.137 50 40 GIGB Cc1cccc([C@@H](C)NNC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)c1 670049 FBRFJWLCWWHQNO-HXUWFJFHSA-N 388.511 4.230 50 40 GIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 5456773 MLPJLPCDAOHGAL-GOSISDBHSA-N 390.418 4.223 50 40 GIGB Cc1c(C(=O)NNC(=O)c2ccc(C3SCCS3)cc2)oc2ccccc12 6928968 QCHJIRAWLMYKCH-UHFFFAOYSA-N 398.509 4.295 50 40 GIGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc2ccccc12 409310284 TWPLZIZOCZLIPC-PGMHBOJBSA-N 398.462 4.142 50 40 GIGB CCCCCCOc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 408736934 DRIQRNLMGQINHC-CJLVFECKSA-N 383.448 4.247 50 40 GIGB CCCCCCOc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 6308560 VWWZUFMKKBVGDF-XQNSMLJCSA-N 384.476 4.427 50 40 GIGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2C)CC(=O)N1 1288677 MJVHOIHHQILPRA-KRWDZBQOSA-N 391.496 4.014 50 40 GIGB CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OC)c2OC)cc1 1425070 GIYXBVDTRUDYJG-YQCVNYCESA-N 384.476 4.137 50 40 GIGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2cccc(Br)c2)o1 2356409 FVTLKCQHWVSJGO-FYJGNVAPSA-N 383.245 4.402 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccccc1 59334623 CYWAIPFQQGLYTR-YVLHZVERSA-N 384.863 4.313 50 40 GIGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)COc1cccc2ccccc12 408960620 NGRAAWGAROUDBB-XYGWBWBKSA-N 387.483 4.278 50 40 GIGB O=C(N/N=C/c1cc(Cl)c(O)c(Br)c1)c1ccc(Cl)cc1 409189603 RJGIUIRNIGUNPG-CNHKJKLMSA-N 388.048 4.225 50 40 GIGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OC)c(Cl)c2)ccc1OC 409325827 BQNCJQCVBRVVRQ-FBHDLOMBSA-N 397.258 4.173 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 409365040 YMWMTMFQOAJHMV-FSJBWODESA-N 396.830 4.299 50 40 GIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCC(C)C 1462344 UTSJSBXWYADNIF-NRFANRHFSA-N 380.444 4.044 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c(C)n1-c1ccccc1 6822254 SSBUSPRPQCPXAD-QGOAFFKASA-N 385.423 4.338 50 40 GIGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21 8812194 NALWALHBZQWHFH-MZJWZYIUSA-N 396.425 4.464 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc1 14404915 NFNOFPIHLONTAY-CYBMUJFWSA-N 396.878 4.307 50 40 GIGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccccc1F 16268666 TWMFKBVMMHYXOJ-WYMPLXKRSA-N 399.853 4.416 50 40 GIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)O)cc1 59303104 NVYURSPEJQXGHI-NWFCWYBLSA-N 384.819 4.046 50 40 GIGB CCO[C@@]1(C(=O)Nc2ccc(OCCBr)cc2)CCC[C@H](C)C1 225714340 YQQBYRVDITUJJT-KSSFIOAISA-N 384.314 4.384 50 40 GIGB CCOc1ccc(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1 408832920 SFPNTZHVEJBYOR-OQLLNIDSSA-N 384.819 4.291 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(C#N)c3)cc2)cc1 20764583 VOBLEKATTJWKPK-WGOQTCKBSA-N 399.450 4.300 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NC[C@@H]1CCCO1 26964626 CJDLYYKEUOZTOA-PINLSGDHSA-N 391.254 4.456 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(F)c(N3CCCC3)cc2C)cc1 33786730 MIUAREQDZDMJQR-ATVHPVEESA-N 379.435 4.289 50 40 GIGB CCOc1ccccc1/C=N\NC(=O)Nc1ccc(Br)c(C)c1 408905224 VKRHXZOIGZAPPM-ODLFYWEKSA-N 376.254 4.312 50 40 GIGB CCn1c(C)c(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc21 409352840 XBRRSMFWWYEQRY-CIAFOILYSA-N 384.277 4.496 50 40 GIGB Nc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 409369202 HNSFFPFPHBRZCO-LGJNPRDNSA-N 386.430 4.175 50 40 GIGB Cc1ccc(OCCn2cc(/C=N/NC(=O)c3ccncc3)c3ccccc32)cc1 1300726 DFOGHVCWIVLHST-WGOQTCKBSA-N 398.466 4.188 50 40 GIGB Cc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N32)cc1 12275495 JKGAKMTYDGZAKA-UWJYYQICSA-N 396.899 4.292 50 40 GIGB CCOc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 27329645 SFDQKDGOVHWSOR-UTKZUKDTSA-N 388.471 4.078 50 40 GIGB CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C(C[C@@H](CC)CC2)[C@@H]1c1ccccc1 35193567 QDGRPBRRSWBNGH-RWAHWCJQSA-N 375.472 4.100 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccn1-c1ccccc1 59247936 FAACENZJXKURHR-FYJGNVAPSA-N 398.260 4.012 50 40 GIGB O=C1c2ccccc2-c2cc(Br)c(NC(=O)C(Cl)Cl)cc21 1699682 RIDJWMKSXYCDIS-UHFFFAOYSA-N 385.044 4.403 50 40 GIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 2780088 IWXKHLXLDXIXPV-RGVLZGJSSA-N 375.266 4.216 50 40 GIGB Cc1cc(C)cc(NC(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)c1 8335728 LETDGLNISJQJDO-UHFFFAOYSA-N 389.883 4.277 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c(C)c1 7160199 NZHSFUAXOSPCLC-MKMNVTDBSA-N 399.244 4.340 50 40 GIGB O=P(C(=S)N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1C=CC[C@H]21)(c1ccccc1)c1ccccc1 169809525 YSKJWRGCOCIJFA-VBVPVEISSA-N 393.492 4.476 50 40 GIGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1 5530012 IDKCSKOOGORPDN-MMVIWPHWSA-N 390.325 4.117 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccc(Cl)cc1Cl 20086696 OZPRTRMTJMOWQL-HNNXBMFYSA-N 397.217 4.134 50 40 GIGB O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1c(O)ccc2ccccc12 3089847 VKEWOTYLIXGHKL-YDZHTSKRSA-N 395.846 4.068 50 40 GIGB O=C(NNC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1cccc(Cl)c1 36667775 QIVAJCZBSCSNPA-UHFFFAOYSA-N 397.843 4.285 50 40 GIGB O=C(N/N=C\c1cc(Cl)cc(Br)c1O)c1cc2ccccc2o1 408855557 NZXYEMJJKDAQSZ-UWVJOHFNSA-N 393.624 4.318 50 40 GIGB CCOC(=O)NC(CI)(c1ccccc1)c1ccccc1 1712322 IKZICHCWZVQIFX-UHFFFAOYSA-N 395.240 4.111 50 40 GIGB CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)c1ccccc1 28216620 IQOWZMMFKNGIFY-VCOZGABYSA-N 375.472 4.240 50 40 GIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccccc2Cl)o1 408587828 HJXMBAMKSIKDDA-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(Cl)c1 59445261 CFLUMPHCUFIIOF-RGVLZGJSSA-N 393.668 4.431 50 40 GIGB C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@@H]2C1 4473466 GFOGUBRWYBBOHI-XZOAIXRZSA-N 393.288 4.289 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1ccc(Br)cc1 33910728 CIXUXIRCJVHEKL-MTJSOVHGSA-N 397.276 4.016 50 40 GIGB Cc1nn2c(c1-c1ccc(Cl)cc1)NC(c1ccc(F)cc1)=C(C#N)[C@H]2N 226759113 MSTOHJHVNDVHSW-IBGZPJMESA-N 379.826 4.469 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1C 6332844 ATMOTDGLKQPRSW-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 5601720 JASXRWOOUIHFNQ-OEAKJJBVSA-N 377.831 4.356 50 40 GIGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N3C2)cc1 2326369 SEQXHJBUPNRZLL-QGZVFWFLSA-N 395.459 4.054 50 40 GIGB Cc1cccc(C(=O)N/N=C/c2ccccc2OC(=O)/C=C/c2ccccc2)c1 3058897 SRWDQBZEKUUMIF-QAWWPKJNSA-N 384.435 4.378 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 4838986 YYEPBXVDLKKUQW-OEAKJJBVSA-N 393.830 4.221 50 40 GIGB CCOC(=O)COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 15009388 HLSJQOZLTLAVGO-GZTJUZNOSA-N 375.428 4.186 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1C 107738291 IQOVOSUBSYFEIZ-XNTDXEJSSA-N 377.469 4.361 50 40 GIGB CN(C(=O)CCl)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253499497 IMPPITSCOUNNJN-OZORCSEGSA-N 381.988 4.456 50 40 GIGB biogenic CCc1ccc(/C(C)=N/NC(=O)c2ccc(I)cc2)cc1 408711980 TXSPGRFTJKQTIJ-XDHOZWIPSA-N 392.240 4.008 50 40 GIGB O=C(N/N=C\c1cccn1-c1ccc(O)cc1)Nc1ccc(Br)cc1 409021500 KMLQEVKTMHOVDY-NDENLUEZSA-N 399.248 4.101 50 40 GIGB O=C(N/N=C/c1c(-c2ccccc2)nc2sccn12)c1ccc2ccccc2n1 3198321 OZDAHIGAACKBKV-OEAKJJBVSA-N 397.463 4.375 50 40 GIGB O=C(N/N=C/c1ccccc1OCCOc1ccccc1)Nc1ccccc1 4196532 XURZIKCTBHFHMM-HAVVHWLPSA-N 375.428 4.300 50 40 GIGB COCCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 5007783 KVJMLAGFTXUCJM-SFQUDFHCSA-N 393.874 4.013 50 40 GIGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1 5678023 NCNVZSIWQNKSHB-NTCAYCPXSA-N 378.428 4.309 50 40 GIGB C/C(=N/NC(=O)COc1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 5826798 XIIQTNSUAYYVNQ-UQQQWYQISA-N 393.487 4.125 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccccc1 59116728 MQEQEANMBDEOEB-XMHGGMMESA-N 398.418 4.460 50 40 GIGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(Cl)c1 59445267 PVUHDOBEQXVHFY-VXLYETTFSA-N 381.657 4.265 50 40 GIGB C[C@@]12[C@H]3[C@@H]4C[C@H]5[C@@H]([C@H]4[C@H]1Br)[C@H]2C(Br)(Br)[C@H]53 245266577 KEDQYEQDYKQXQJ-QRSMSFTGSA-N 396.948 4.014 50 40 GIGB COc1cc(Cl)c(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 408885503 BBLMLMUGJJLGFF-DNTJNYDQSA-N 387.650 4.428 50 40 GIGB O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2cccc3ccccc23)c1 409109103 XUIGLCNMLMIRSZ-BUVRLJJBSA-N 383.407 4.093 50 40 GIGB Cc1cccc(COc2ccccc2[C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1 409132747 LPSYZWHCMDDYIT-QHCPKHFHSA-N 384.435 4.498 50 40 GIGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCC3)c2C)cc1 409195163 UEVLINUQZWHWFR-RGEXLXHISA-N 377.488 4.459 50 40 GIGB CCOC(=O)c1cccc(-c2ccc(/C=C(\C#N)C(=O)n3nc(C)cc3C)o2)c1 409383249 VGDHQPBRJDTEGW-LDADJPATSA-N 389.411 4.184 50 40 GIGB N#C/C(=C\Nc1ccc(I)cc1)c1nc2ccccc2o1 4713028 WRYXXDKAICUGEW-ZHACJKMWSA-N 387.180 4.409 50 40 GIGB N#C/C(=C/Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 100479785 SEQQWIZSDWPJKU-LCYFTJDESA-N 392.396 4.424 50 40 GIGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 229831091 FGJNYFXZKUUTPQ-WGMKFVJFSA-N 387.698 4.332 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1[C@@H]1CC=CCC1 987218 JFSVEAUYKTUNDP-ABAIWWIYSA-N 397.276 4.365 50 40 GIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1O)c1ccccc1Cl 1439238 ZBFKDZQRANNVMU-YDZHTSKRSA-N 393.830 4.062 50 40 GIGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc21 408747030 YCQOASNENOUNKJ-UVTDQMKNSA-N 393.830 4.013 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N1CCOCC1 843123 RYQWYRZZHRUAFQ-UKTHLTGXSA-N 377.227 4.019 50 40 GIGB Cc1cc2c(c(=O)o1)[C@@H](c1ccc(F)c(Oc3ccccc3)c1)C(C#N)=C(N)O2 803746 OTWAJZBTVCTVAK-IBGZPJMESA-N 390.370 4.098 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC[C@@H]1CCCO1 4591245 YOKQXONNOCYMKW-YWFITGJYSA-N 396.874 4.121 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)OCc2nccn2C(F)F)c(C)n1CCC(C)C 9746991 BZFZYCMYIVDRKU-LICLKQGHSA-N 390.434 4.393 50 40 GIGB CCN1c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C 223528548 UWMDGRDYALTJOI-FVQJWRHTSA-N 394.475 4.471 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1OC 6286475 DCKYFBNRPOJUQX-BUVRLJJBSA-N 391.471 4.265 50 40 GIGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 6813167 OSXXPFCMJMADJG-GOSISDBHSA-N 392.459 4.368 50 40 GIGB Cc1ccc(C)c(OCC(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)c1 13109443 TWXALHWZBXJQPD-NECOQPKBSA-N 377.488 4.096 50 40 GIGB Cc1cccc(OCC(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1C 13945579 JBTZQPBBQGACJK-UUYOSTAYSA-N 393.399 4.001 50 40 GIGB CC(C)c1ccccc1NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C 15423174 KWNKEJJAIBTQJJ-MRXNPFEDSA-N 383.330 4.064 50 40 GIGB CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1 20808123 ABJNAKNMXMXAFN-CJRTWVEFSA-N 391.421 4.056 50 40 GIGB CC(=O)OC/C=C(/C)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104354559 JLMPCUCBZFQRJL-UZYVYHOESA-N 390.463 4.222 50 40 GIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)cc1 1773100 VNXYDSJBDMAZOB-SAPNQHFASA-N 378.428 4.198 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)c(Cl)c1 4815535 SEWNYDZDNDWONR-WSDLNYQXSA-N 382.803 4.225 50 40 GIGB Cc1ccc([C@H]2CC(=O)N3CN(CCc4ccccc4)CSC3=C2C#N)cc1 20348046 LAUAWHHQOCCPFR-HXUWFJFHSA-N 389.524 4.253 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(C)=O 408761719 KZLHWQUPCQKFLS-UFFVCSGVSA-N 395.242 4.081 50 40 GIGB COc1ccc(-n2cccc2/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1 408951042 HNFDJWKTCRHTCZ-ODLFYWEKSA-N 393.450 4.494 50 40 GIGB COc1ccc2ccc(OC)c(/C=N\NC(=O)COc3cccc(Cl)c3)c2c1 409020856 UUIGRPSTNUAHKX-FMCGGJTJSA-N 398.846 4.040 50 40 GIGB N#C/C(=C\c1ccc(Sc2ncccn2)o1)C(=O)Nc1ccc(Cl)cc1 409094388 CXCXFECCTDRRMX-ZRDIBKRKSA-N 382.832 4.420 50 40 GIGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1cc2cc(Cl)ccc2o1 5576079 AWEYWZBCVIYZCB-SSDVNMTOSA-N 394.818 4.050 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c(OC)c1 6267204 IGNJSUMJMBIESC-ZVHZXABRSA-N 391.471 4.184 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC#N 408984466 HLNRRYJGXLSUIM-XNTDXEJSSA-N 381.819 4.187 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1Br 409051729 FYDIJIUDACYBFW-DJKKODMXSA-N 381.657 4.183 50 40 GIGB C#CCn1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c2ccccc21 6714796 PORUGQCZFGGXDQ-MFKUBSTISA-N 381.435 4.200 50 40 GIGB Cc1cc(C)c(C(=O)OC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C)N3)cc1C 102625185 KHJWUTFDVWLNEL-WFASDCNBSA-N 395.381 4.113 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccc(Cl)cc1 59255703 HNAPVOJISHAKMV-MHWRWJLKSA-N 382.847 4.113 50 40 GIGB O=[P@](O)(CCP(c1ccccc1)c1ccccc1)[C@@H](O)c1ccccc1 2343819 FSGMPEOJKKFRIL-OAQYLSRUSA-N 384.352 4.081 50 40 GIGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408791082 SXPKAKXCVVKINT-XNTDXEJSSA-N 384.819 4.071 50 40 GIGB Cc1cccc(COc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2)c1 409143900 OJOCEPJOKVYPHG-JOCHJYFZSA-N 386.451 4.389 50 40 GIGB Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 408691968 ACVIYJBJOKNRBA-BRJLIKDPSA-N 398.869 4.449 50 40 GIGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)c2ccc(-n3cccc3)cc2)cc1 408961659 UJYHQSZXROPNJB-BWAHOGKJSA-N 397.482 4.098 50 40 GIGB CC/C(=N\NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 5727576 KEOZHIWKTPGFEC-DARPEHSRSA-N 383.923 4.483 50 40 GIGB COC(=O)[C@H](c1ccccc1)[C@H](Br)C(=O)c1ccc(Cl)cc1 1664797 BSBGTFNGDSMLDN-CABCVRRESA-N 381.653 4.243 50 40 GIGB OC1=NC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=CSC1 102579650 UGURIIWQSSZNDC-UHFFFAOYSA-O 376.441 4.483 50 40 GIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 4663631 XFKKZFRIXSHFHI-GHRIWEEISA-N 378.432 4.295 50 40 GIGB CCN1C=C(Cc2cccs2)C2=C(C1)[C@H](c1cccs1)C(C#N)=C(N)O2 19827721 YUQLCFIENJIYEV-GOSISDBHSA-N 381.526 4.333 50 40 GIGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(C)cc1 409359373 IZMMDGKNHUFWBD-BKUYFWCQSA-N 387.277 4.015 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1O 408746536 ZVXLAOITVCALNM-PTNGSMBKSA-N 383.245 4.429 50 40 GIGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 408797009 ZTDDYPASXIVLAI-NTEUORMPSA-N 386.835 4.389 50 40 GIGB N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1304807 MPGNHJUKJDMTTO-UKTHLTGXSA-N 392.396 4.424 50 40 GIGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1Br 1021167 LMPJKZOGNVOPEV-VURRPDKYSA-N 381.657 4.020 50 40 GIGB O=C(N/N=C/c1sc2ccccc2c1O)c1cccc(Br)c1 2282035 BEWDQFHJQXTMEX-GIJQJNRQSA-N 375.247 4.133 50 40 GIGB O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cccs1 59505969 RKDRUYDKGLDYEF-VXLYETTFSA-N 384.288 4.314 50 40 GIGB FC(F)(F)C(F)(F)C(Br)(Br)CBr 91251900 BQXZYZGEVFAMLC-UHFFFAOYSA-N 384.762 4.065 50 40 GIGB COc1cccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)c1OC 408727616 QZQKICUYVPSTQC-YDZHTSKRSA-N 394.496 4.241 50 40 GIGB O=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)c1cccs1 8357432 FMAZTXDBZHSFNE-UHFFFAOYSA-N 382.510 4.032 50 40 GIGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(N(C)C)c(Br)c1)c1ccccc1 6427595 VNYURQCDRDDEJH-FMNVXAMXSA-N 398.304 4.299 50 40 GIGB Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)c1ccccc1)c1ccccc1 12346059 PHYHVSUJMHFYEM-YYDJUVGSSA-N 396.450 4.069 50 40 GIGB COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCC(=O)Nc1ccc(C)cc1 5694260 QNHGNFRYXKCMLG-CPNJWEJPSA-N 399.450 4.480 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 20764063 NBEZZVDSXPVOEI-LPYMAVHISA-N 393.399 4.326 50 40 GIGB O=C(CCn1cnc2ccccc21)N/N=C\c1ccc(OCc2ccccc2)cc1 30743203 NGQDVXCWMSSYFZ-QQXSKIMKSA-N 398.466 4.156 50 40 GIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 3015151 YPBZICMCBMRJKI-FSJBWODESA-N 392.415 4.034 50 40 GIGB Cc1cccc(Cn2cc(/C=N\NC(=O)c3ccccc3O)c3ccccc32)c1 408994823 JPMALFCRUWVBTI-QFEZKATASA-N 383.451 4.468 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)c([N+](=O)[O-])c1 408588633 JENRJIBSVFATKE-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB N#C/C(=C\c1ccccc1)C(=O)Oc1cccc(C(=S)N2CCCCC2)c1 4503121 HGOROBLVDOASDI-XMHGGMMESA-N 376.481 4.361 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccccc1C(=O)O 408747657 RCNIDZUTQMRLKA-MOSHPQCFSA-N 399.450 4.016 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC#N)c1 408790079 NEZNAZFRZVOOMC-XNTDXEJSSA-N 396.244 4.206 50 40 GIGB Cc1cccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2)c1 409130716 UJCXZKIKEOVMHJ-QHCPKHFHSA-N 384.435 4.498 50 40 GIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(Br)cc1 408814496 FWTKMLJZPZEKNE-VXLYETTFSA-N 381.657 4.265 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)cc1 7164920 TWIBOBZSRDBVHN-XNTDXEJSSA-N 399.244 4.171 50 40 GIGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 15225916 WCYCFZWJFNLTLM-VBKFSLOCSA-N 386.282 4.249 50 40 GIGB O=C(Nc1ccccc1C(=O)N/N=C/c1cc2ccccc2[nH]1)c1ccccc1 11613960 JCJYMMNYTXTFOI-BUVRLJJBSA-N 382.423 4.184 50 40 GIGB O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccc(F)cc1 59248538 OZENCCDHNOUWMV-CIAFOILYSA-N 386.224 4.143 50 40 GIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2c[nH]c3ccccc23)c1C 3385343 VTMMFFDXSLEXEE-WOJGMQOQSA-N 389.455 4.329 50 40 GIGB N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(N2CCOCC2)cc1 6276985 OIGGZTWDVJNVMA-KNTRCKAVSA-N 399.450 4.329 50 40 GIGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc2c3c(cccc13)CC2 408755657 RUGAMIGRFATGJN-VULFUBBASA-N 381.435 4.016 50 40 GIGB C/C(=N/NC(=O)COc1ccc(C2CCCCC2)cc1)c1cc(O)ccc1O 408562997 HODAPCJAJPOVIL-HAHDFKILSA-N 382.460 4.065 50 40 GIGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)cc1 409002987 XRWKRWGOKBSROT-JLPGSUDCSA-N 375.472 4.186 50 40 GIGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cccs3)c2C)c1 33412193 DPNULDROSTUMPN-XKZIYDEJSA-N 395.484 4.096 50 40 GIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c1C 83311226 ASJGVYBAXUJQRL-DZQSVEARSA-N 389.499 4.366 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2c[nH]c3ccc(Br)cc23)cc1 993613 BDSZLWPRDITLJY-SRZZPIQSSA-N 386.249 4.093 50 40 GIGB COc1cc(SC#N)ccc1N/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C 8686864 YKFINYHQBZIUEB-GZTJUZNOSA-N 378.457 4.295 50 40 GIGB O=C(CSc1ccc2ccccc2c1)NNC(=O)C12CC3CC(CC(C3)C1)C2 5065599 IVMUKXTWSBSOGQ-UHFFFAOYSA-N 394.540 4.296 50 40 GIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(OCCC)cc1 20197594 JFSNJZZYLNVXQD-KOEQRZSOSA-N 386.451 4.405 50 40 GIGB O=C(N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1)Nc1ccccc1 409064907 QUYIBLWKNZYRFL-LSHDLFTRSA-N 385.786 4.217 50 40 GIGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Br)C(N)=O 408887348 PWDXHYPNHCYDMS-NTUHNPAUSA-N 391.652 4.074 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)CCCl 14405206 LNPXWTXJPSIKPZ-UHFFFAOYSA-N 396.878 4.309 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCCCC1 2698146 MOTZZRYHAXJDNV-JLHYYAGUSA-N 385.807 4.428 50 40 GIGB Cc1ccc(S(=O)(=O)[C@@H]2CCC=CCC[C@H]2I)cc1 651220 ATCCHJVUNNNCBZ-HUUCEWRRSA-N 390.286 4.071 50 40 GIGB CCCCOc1ccccc1/C=N/NC(=O)c1cccc(Br)c1 3147917 OCXKIAHCFGPSTG-DEDYPNTBSA-N 375.266 4.392 50 40 GIGB O=C(NNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 4715478 OLYPDYOHMDDCOS-UHFFFAOYSA-N 375.211 4.328 50 40 GIGB C/C(=N\NC(=O)c1cccc(F)c1)c1ccc(NC(=O)c2cccs2)cc1 5894919 FCWOOFZTNYVDGJ-YDZHTSKRSA-N 381.432 4.294 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1 208211533 XLDIBVFHTKHSMN-HUSFYUSLSA-N 379.504 4.490 50 40 GIGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 409045287 FZZHMDFFCFNUCR-SSDVNMTOSA-N 382.803 4.022 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 409185521 ZTDWCUUFRMFCRS-CIAFOILYSA-N 376.441 4.379 50 40 GIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCc1cccc(F)c1 409239264 PBOIGBWDHJRQBH-QFEZKATASA-N 380.394 4.237 50 40 GIGB COc1ccc(/C=C(/C#N)c2ccc(I)cc2)c(OC)c1 409369078 ANGDKLLQZIPTTE-ZROIWOOFSA-N 391.208 4.373 50 40 GIGB CCc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 872608 HRAMWUPUMMNTHZ-SFHVURJKSA-N 379.847 4.265 50 40 GIGB C=CCOc1ccc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OC 409187481 RAFPLCBHMBMPMD-UCQKPKSFSA-N 394.427 4.169 50 40 GIGB CCCn1c(C)c(/C=N/NC(=O)Cc2ccc(OCC)cc2)c2ccccc21 408711903 PYWNFBZUXRIVML-LFVJCYFKSA-N 377.488 4.451 50 40 GIGB Cc1c(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c2ccccc2n1Cc1ccccc1 5881653 YZZCWZZCJUPXOX-OKPNHQCWSA-N 399.494 4.200 50 40 GIGB CC(C)Oc1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)cc1Br 1105215 UVUXNPWYQJYQJZ-SRZZPIQSSA-N 393.256 4.068 50 40 GIGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc1 2360812 ISAXNPPVROJMBM-INIZCTEOSA-N 395.459 4.054 50 40 GIGB CCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 4616798 YUNKJVCOBAGNPG-GZTJUZNOSA-N 384.863 4.361 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1 4662618 LWWBYCLMFNCKMO-ZVBGSRNCSA-N 377.206 4.287 50 40 GIGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(Cl)c(Cl)c1 13940009 LUBFSIQXHRFKRU-OAHLLOKOSA-N 384.222 4.053 50 40 GIGB C=CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC 20195148 IRDTXSKYPXQYSR-YDZHTSKRSA-N 386.879 4.223 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1OC 28216809 UKXCNFNVYCSJIA-ZMOGYAJESA-N 395.434 4.014 50 40 GIGB CC(C)(COCc1ccccc1)CO[P@](N)(=O)N(CCCl)CCCl 104189845 PKHJDDBFPXQGLP-DEOSSOPVSA-N 397.283 4.092 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC#N 408792617 BIEJYFPZARSBSI-CXUHLZMHSA-N 395.846 4.414 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CCc2ccccc2)o1 409031768 BAZDOQKQHDPOQL-HYARGMPZSA-N 377.400 4.246 50 40 GIGB N#CC1=C(N)S[C@H](c2cccs2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1Cl 103016151 PCLKYWHKVSTKSF-QLFBSQMISA-N 377.878 4.312 50 40 GIGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(Br)cc1 1449569 MYEGQBSTNKEBPK-YBFXNURJSA-N 381.657 4.022 50 40 GIGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1cc(O)cc(O)c1 13321565 GYKPNLPACVYKLB-FSJBWODESA-N 396.830 4.094 50 40 GIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Cl)cc3)c2C)cc1 408590859 QTZAIQKPHPUWQC-ZVHZXABRSA-N 395.890 4.449 50 40 GIGB Cc1cc(C(=O)[C@H](Br)CBr)ccc1Br 307438869 MVGJFAMNODVABK-SECBINFHSA-N 384.893 4.099 50 40 GIGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 409365022 SEZUFSPDWMUKTH-OEAKJJBVSA-N 391.427 4.418 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3c(C)n(C)c4ccccc34)cc2c1 409187062 LMRGMVGTEUFIIN-QRVIBDJDSA-N 375.428 4.396 50 40 GIGB Cc1cc(C)cc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)c1 409135735 QJZPDOSOZANGKM-HNNXBMFYSA-N 397.525 4.076 50 40 GIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c1C 83311224 ASJGVYBAXUJQRL-AJPHYDNBSA-N 389.499 4.366 50 40 GIGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccc4ccccc4c3)c2)n1 6189270 AWVRKSXBKSJQEB-MFKUBSTISA-N 382.467 4.465 50 40 GIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c[nH]c2ccccc12 5528692 LDWSAHCIBAJOEN-WMJRALALSA-N 376.243 4.392 50 40 GIGB COc1ccc(Br)cc1/C=N/NC(=O)c1cccc2ccccc12 5527154 VUHJTBGGGLGZNW-CIAFOILYSA-N 383.245 4.375 50 40 GIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C 208203123 TVMJZTIOHRZICQ-GCMSVZMUSA-N 379.504 4.490 50 40 GIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)COc2ccc(C(=O)OCCC)cc2)C1 12137197 HJLIEVXATPTPMX-HLNJFSBGSA-N 384.476 4.037 50 40 GIGB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N/NC(=O)Nc1ccccc1 32504623 JAADJIYHZHDCSG-BSYVCWPDSA-N 380.473 4.049 50 40 GIGB COc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)C3CCCCC3)c2)cc1 695810 WURQHFFLTAZTPK-XYGWBWBKSA-N 393.487 4.368 50 40 GIGB Cc1ccsc1/C=N/NC(=O)COc1ccc(OCc2ccccc2)cc1 3282096 SGCUHUVZNHUMOM-LPYMAVHISA-N 380.469 4.165 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 5163975 SARVNHHTLJFXGT-JVWAILMASA-N 396.450 4.459 50 40 GIGB COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccccc3-n3cccc3)c2c1 409020632 RIPLFTZQTLITMN-PCLIKHOPSA-N 399.450 4.412 50 40 GIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1Sc1ccccc1 33457919 FKSRTIJQEYDKPX-PXLXIMEGSA-N 391.452 4.439 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(C[C@H](CC)CC2)[C@@H]1c1ccccc1 221956371 QDGRPBRRSWBNGH-XLHILCRZSA-N 375.472 4.100 50 40 GIGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3)=C2C#N)cc1 1296770 NGRHYXBEGMKJBF-GOSISDBHSA-N 391.496 4.014 50 40 GIGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)NC1CCCCCCC1 12972900 PUZQBCDMMMDIIY-UHFFFAOYSA-N 386.521 4.175 50 40 GIGB Cn1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 33352618 CMLURXONVSOHLW-FBHDLOMBSA-N 396.244 4.451 50 40 GIGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 36047386 ITDUWGNZUDAQFG-QPEQYQDCSA-N 394.368 4.396 50 40 GIGB N#C/C(=C\c1ccc(/C=C(\C#N)n2cc(Cl)cn2)cc1)n1cc(Cl)cn1 255190190 VNEOXMMDPHDDRV-QJZPKIEXSA-N 381.226 4.430 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 409216357 HNZLUQJPOUHAMJ-STZFKDTASA-N 398.466 4.343 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(C)cc1 8812360 OALXIRWFCIRZLY-AFUMVMLFSA-N 392.430 4.486 50 40 GIGB Cc1ccc([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)s1 13916326 BHVFBPLHNPDPLI-IBGZPJMESA-N 390.512 4.392 50 40 GIGB COc1cc(OC)c(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br 17078409 KHERVOIPAHBTPJ-KPKJPENVSA-N 384.233 4.407 50 40 GIGB Cc1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2)cc1Cl 6788789 WQYCFHJVLMADMR-UHFFFAOYSA-N 397.928 4.039 50 40 GIGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1ccccn1 98067946 PTOQIPKNVNBYOS-YHYXMXQVSA-N 380.039 4.376 50 40 GIGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c1C 4048121 JHXHTUMJTQBSSR-ZYNFKGNASA-N 397.906 4.258 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 3235755 QZACHCUDXZOGJJ-DHRITJCHSA-N 392.425 4.114 50 40 GIGB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(SC)cc2)C(C#N)=C(N)O3)cc1 5095157 CTCHKTAPWLNWQW-KRWDZBQOSA-N 390.468 4.025 50 40 GIGB CCc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 872609 HRAMWUPUMMNTHZ-GOSISDBHSA-N 379.847 4.265 50 40 GIGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 21285219 LHCRREVNUIBFJV-UHFFFAOYSA-N 383.370 4.273 50 40 GIGB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 102225046 LMXDCVDHUYPWPO-HRCADAONSA-N 389.455 4.082 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 3276312 VADGAZPQDHWQEJ-GHRIWEEISA-N 392.455 4.082 50 40 GIGB COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1OC(F)F 6510701 RYRMQBFKUFQEJD-NTEUORMPSA-N 399.802 4.288 50 40 GIGB CC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(Br)s2)c1C 6930851 DLQXTCRJAYMBJR-IZZDOVSWSA-N 377.263 4.448 50 40 GIGB C=CCOc1nc(SCc2ccccc2)nc2c1[C@H](C(C)C)C(C#N)=C(N)O2 67257851 LOLVNFJMWYGLKP-MRXNPFEDSA-N 394.500 4.160 50 40 GIGB COC(=O)N/N=C/c1cccc(OCCCOc2ccc(Cl)c(C)c2)c1 41108645 KTDIOWADVWUEKW-FYJGNVAPSA-N 376.840 4.186 50 40 GIGB CCOC(=O)c1sc(NC(=O)c2cccc(OC)c2)c(SC#N)c1C 7345664 NXZVGGVSOJBMRC-UHFFFAOYSA-N 376.459 4.067 50 40 GIGB C/C(=N/NC(=O)c1ccccn1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 5888685 SEQZQZSGVDWNFB-QFEZKATASA-N 392.846 4.141 50 40 GIGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccco2)cc1 8372107 PQTUDMQCCRERTA-UUYOSTAYSA-N 382.803 4.225 50 40 GIGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)cc1 13810308 NWTGNTXBAOFASC-ZHZULCJRSA-N 399.450 4.426 50 40 GIGB CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2cccs2)/C(=C/c2cccs2)C1 19526846 QJAKHWIVXMCRHK-FHLIRTJZSA-N 381.526 4.290 50 40 GIGB CCOc1cc(/C=N/NC(C)=O)ccc1OCCCOc1cc(C)cc(C)c1 27830971 WGCJAIJMNRSRBS-HZHRSRAPSA-N 384.476 4.020 50 40 GIGB O=C(N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21)c1ccc2c(c1)OCO2 36209087 PVUKVLGCSUZPIB-JHGYQWQCSA-N 386.407 4.073 50 40 GIGB CCSc1ocnc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 59528035 VNAQEDFWLGJHFD-UHFFFAOYSA-N 390.468 4.406 50 40 GIGB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)OC(=O)[C@H]12 108507210 QWYDHHASCRHQDJ-CYMHYUIHSA-N 386.447 4.302 50 40 GIGB N#C/C(=C\c1cn(CCC(N)=O)c2ccccc12)Sc1nc2ccccc2[nH]1 408599703 YTUKAVMXSAFNJN-RVDMUPIBSA-N 387.468 4.050 50 40 GIGB N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)Nc1cccc(Br)c1 408771272 FHNJMXXFKPRVQT-WDZFZDKYSA-N 377.625 4.354 50 40 GIGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC 408824669 HCNOAKUIIDKELL-XNTDXEJSSA-N 398.846 4.468 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccccc2C#N)c(C)c1 20194938 QDMWIOOYONBADV-JVWAILMASA-N 397.478 4.447 50 40 GIGB O=C(NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1 5012562 KVGODRSCVUCNEF-UHFFFAOYSA-N 375.211 4.328 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC#N 408791105 UCCQKPKEWXVXJV-LDADJPATSA-N 375.428 4.150 50 40 GIGB O=C(CCc1ccccc1)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 408955007 OBAULUIWEXKIMF-LPYMAVHISA-N 381.363 4.077 50 40 GIGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc(Cl)c1 3217504 LIXGDPIJSHDWQL-SSDVNMTOSA-N 396.790 4.199 50 40 GIGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)c1cccnc1 13222800 XMCKIJJZPDULJN-NYYWCZLTSA-N 380.039 4.376 50 40 GIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2C)c1 6963442 HNELBRPAQDRTBV-XQQQEEOESA-N 384.483 4.468 50 40 GIGB COc1ccc([C@@H]2C(C#N)=C(SC)NC3=C2C(=O)CC(C)(C)C3)cc1OC 1471909 DWKUUFLCQOLYRF-GOSISDBHSA-N 384.501 4.132 50 40 GIGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C(C)C)c(OC)cc2C)cc1 408816932 UUGLQFVYQQUYMP-ODLFYWEKSA-N 378.472 4.359 50 40 GIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(N3CCCCC3)o2)c1 408994115 GEJRIVQZRRXESW-LPYMAVHISA-N 385.533 4.270 50 40 GIGB COc1ccc(-c2nc3ccccc3s2)cc1N1C[C@@H](C(=O)Cl)CC1=O 45887053 PKMMKQUOJGBLIQ-LBPRGKRZSA-N 386.860 4.090 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 5513371 HOYCSVUHRFAQQY-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB Cc1ccc([C@@H]2CC(=O)N3CN(CCc4ccccc4)CSC3=C2C#N)cc1 20348044 LAUAWHHQOCCPFR-FQEVSTJZSA-N 389.524 4.253 50 40 GIGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3c[nH]c4ccccc34)cc2)c1 672459 YZJKSBFMPQAMEK-CVKSISIWSA-N 396.450 4.493 50 40 GIGB O=C(CSc1nc2ccccc2s1)N/N=C/c1c(O)ccc2ccccc12 969278 IBHCMUMMNZMREB-SRZZPIQSSA-N 393.493 4.398 50 40 GIGB COc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 1444807 SJFUHPWFHFMMNQ-WSDLNYQXSA-N 384.819 4.138 50 40 GIGB COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)c1 2218873 PTIVCLPFPMJTJV-SFHVURJKSA-N 395.459 4.054 50 40 GIGB C[C@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 7276964 JUZYWIFOYRIFAM-IYWFSZBXSA-N 386.411 4.170 50 40 GIGB Cn1cccc1P(=NC(=S)NC(C)(C)C)(c1ccccc1)c1ccccc1 102350475 YVGYGNIBIHXSBU-UHFFFAOYSA-N 395.512 4.176 50 40 GIGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl 108076898 OEILHYBXLMKMAG-KUARTLJMSA-N 389.839 4.118 50 40 GIGB CC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 409009699 BLHBPCZNKYPQPS-DNTJNYDQSA-N 399.647 4.291 50 40 GIGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(Br)c1 1054918 KHKGLFUISPQOCJ-WSDLNYQXSA-N 382.261 4.165 50 40 GIGB C/C(=N\NC(=O)COc1cccc(Cl)c1)c1ccc(Br)cc1 4601916 VTIGSRSGLGQIBG-YBFXNURJSA-N 381.657 4.022 50 40 GIGB O=C(N/N=C/c1ccccc1O)c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 4995341 FQGSPAKSVARWAJ-AFUMVMLFSA-N 390.483 4.330 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)cc1Cl 33498936 VGNYNLLWWKAPST-WQLSENKSSA-N 378.762 4.496 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(OC)c1OC 34706499 AFMYPKDQZZDYCN-DHDCSXOGSA-N 376.412 4.292 50 40 GIGB COC(=O)c1cc(C(=O)CBr)ccc1OCc1cccc(Cl)c1 85397476 UGGGOAZKZGIRAW-UHFFFAOYSA-N 397.652 4.283 50 40 GIGB Cc1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3[C@H]4CCCC[C@]43C)o2)c([N+](=O)[O-])c1 408718841 NTEMEGVNJSGQST-INMLBQQCSA-N 381.432 4.440 50 40 GIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cccc2ccccc12)c1ccccc1 408980847 TVNAAHWVEXZSDT-DOZBRYHWSA-N 389.455 4.167 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)cs1 409200944 KOZYVOOBCBZBDO-OMCISZLKSA-N 389.727 4.406 50 40 GIGB O=C(Nc1ccc(C(=O)O)cc1)Oc1ccc(N(CCCl)CCCl)cc1 1717798 CNLVZUPSGAAHAO-UHFFFAOYSA-N 397.258 4.280 50 40 GIGB C/C(=N\NC(=O)C1CCCCC1)c1cccc(NC(=O)c2ccc(F)cc2)c1 5516906 GXUIOVXMKCGCEW-MFKUBSTISA-N 381.451 4.499 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)CCc3ccccc3)o2)c([N+](=O)[O-])c1 5542947 BREHDNGXLQXHNO-HYARGMPZSA-N 377.400 4.246 50 40 GIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)o1 408721866 ARCWRJYWRSRUEI-LYFOMMBQSA-N 397.431 4.140 50 40 GIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc2c1CC[C@H](C)C2 942688 BDYIAVDABYBAIH-JMRXEAOASA-N 380.469 4.205 50 40 GIGB O=C(NNC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1F 2626770 ZPSYUZZEBBTNFP-UHFFFAOYSA-N 391.427 4.177 50 40 GIGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 4587738 YNTWCFZDIKDXAF-VCHYOVAHSA-N 396.082 4.366 50 40 GIGB CCN1CCC(=NNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)CC1 55009004 PLIFGNXLHCGPNY-UHFFFAOYSA-N 386.499 4.412 50 40 GIGB O=P(C(=S)N[C@H]1C[C@@H]2C[C@@H]1[C@H]1C=CC[C@H]21)(c1ccccc1)c1ccccc1 100013728 YSKJWRGCOCIJFA-QTQOVQFESA-N 393.492 4.476 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3OC)o2)cc1 409141787 BROXQAKAVBPQTL-WSDLNYQXSA-N 384.819 4.381 50 40 GIGB Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(F)cc1 409256036 NOBHPWBTMMYYEI-WSDLNYQXSA-N 375.831 4.047 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(F)cc1 7894352 ZNONXRODIBQFPN-UFFVCSGVSA-N 387.754 4.411 50 40 GIGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 59335723 AUPQCDMZXPZVHK-ZHZULCJRSA-N 386.451 4.290 50 40 GIGB N#C/C(=C\c1ccc(CSC(F)F)o1)C(=O)Nc1ccc2c(c1)OCCO2 43080384 NAHMQRHIMWXVAS-YRNVUSSQSA-N 392.383 4.052 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)c1 408765373 VQRLTLSJMOGUNW-LPYMAVHISA-N 376.416 4.075 50 40 GIGB Cc1cc(C)n(Cc2ccc(C(=O)NN=Cc3cccc(Cl)c3Cl)o2)n1 8721305 IRWLFJHDLNQJDH-UHFFFAOYSA-N 391.258 4.212 50 40 GIGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4550963 FSLCMLCLGFNUGZ-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)cc1 408967650 RKDOYYLTQNKGNX-VULFUBBASA-N 388.446 4.431 50 40 GIGB O=c1nc(Cl)ccn1/C(=N\[C@@H](Cl)c1ccccc1)C(Cl)(Cl)Cl 18116283 YFEHMIVJPWFFIV-UEXGJGTCSA-N 399.492 4.451 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1)[C@H]1Oc2ccccc2O[C@@H]1c1ccccc1 1470142 OJVRXXVGKYLXKB-VPOOYJOPSA-N 392.842 4.371 50 40 GIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c[nH]c2ccccc12 4155414 LDWSAHCIBAJOEN-ZOCVZFIWSA-N 376.243 4.392 50 40 GIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c1 7608089 SAOQMFBJKLZRNJ-HNLWVNFGSA-N 377.488 4.446 50 40 GIGB CN(NC(=O)c1cc(Br)c(Br)s1)c1ccccc1 8358270 LQCYHKOFKLEYAA-UHFFFAOYSA-N 390.100 4.054 50 40 GIGB Cc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 59488456 CCKJUHJKCIGRSR-KEBDBYFISA-N 382.247 4.154 50 40 GIGB CCN(CC)P1(N(CC)CC)=NC(=O)c2ccccc2C(=O)N1CCCl 334157847 FOGCIHLYECUOGS-UHFFFAOYSA-N 398.875 4.151 50 40 GIGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 408798355 WHQXIADSQUNQCA-NTEUORMPSA-N 386.835 4.302 50 40 GIGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1 409150921 FBAVMYHYDCRPRU-SSDVNMTOSA-N 382.803 4.371 50 40 GIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 409178922 KLVHWOAWIZKCBH-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB CCCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 3079983 JNGKKMIBVQUSNY-PXLXIMEGSA-N 396.447 4.268 50 40 GIGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)Cc1ccc(Cl)cc1 100923055 YXTSSKRDMXDTJP-WSDLNYQXSA-N 378.259 4.057 50 40 GIGB CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 59505736 IEFYDCYUAROJON-UFFVCSGVSA-N 378.259 4.206 50 40 GIGB C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)c1cccc(C)c1O 4401978 APAJUJAGJIWSMH-SSDVNMTOSA-N 394.258 4.142 50 40 GIGB Cc1cccc(COc2ccccc2[C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c1 409124168 JOFHNTKRSALAPF-QHCPKHFHSA-N 399.494 4.304 50 40 GIGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1O 3049774 AOXUNZIYBCPENY-YDZHTSKRSA-N 380.831 4.389 50 40 GIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1 2742857 DJVABURMZUEMCT-JZILYMMXSA-N 381.432 4.087 50 40 GIGB COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)c1cccc2ccccc12 4387258 DSKDLFDRQAUDHT-PCLIKHOPSA-N 389.455 4.291 50 40 GIGB Cc1ccc([C@@H]2C(C#N)=C(N)O[C@H]3[C@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1 5546348 OYBRLNLLOLUPME-HLIPFELVSA-N 398.388 4.184 50 40 GIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 14152149 YRUGIWVRYCKCJM-FOWTUZBSSA-N 387.464 4.056 50 40 GIGB Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccccc1 16268621 VOTCGDGPYKVJJW-QRVIBDJDSA-N 381.863 4.277 50 40 GIGB CC(=O)N[C@@H](CC(=O)NN(c1ccccc1)c1ccccc1)c1cccs1 32876680 DWJXYWPJLOZZGM-IBGZPJMESA-N 379.485 4.185 50 40 GIGB COC(=O)N/N=C\c1cc(/N=N/c2cccc(Br)c2)ccc1O 4513571 CXKANYMCYDCZQP-QVSDVYIPSA-N 377.198 4.260 50 40 GIGB CC[C@H](C)c1ccccc1OCCCOc1c(/C=N/NC(N)=O)cccc1OC 4599888 CLYRPIOKKCVDHO-WTJYETQFSA-N 399.491 4.059 50 40 GIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 6627013 SFUKCDAEBNGBPE-LDADJPATSA-N 390.443 4.358 50 40 GIGB C/C(=N\NC(=O)c1sc(-c2ccccc2)nc1C)c1ccc2c(c1)OCO2 8517686 PNHSNIFZVKZTIF-WSDLNYQXSA-N 379.441 4.001 50 40 GIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)CCc3ccccc3)c2C)cc1 408586522 CJGWTFXLQZGJPP-LFVJCYFKSA-N 375.472 4.186 50 40 GIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1Cc1ccccc1Cl 408867750 MWCAQKVCYHUZIV-VGOFMYFVSA-N 375.255 4.375 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Cl 408870222 VWUACYBFFRWORP-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1C 1094434 CFEJKYUEQPIXIN-LGJNPRDNSA-N 388.446 4.486 50 40 GIGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(Br)o1 3153228 ROUHSFLRLSLLOQ-REZTVBANSA-N 387.686 4.079 50 40 GIGB Cc1ccc(C)c(NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1 6714895 RCGCKDFRJPMZPU-UHFFFAOYSA-N 398.315 4.007 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1 6963028 GZPOJABUXNLCHJ-OOIVEFLKSA-N 393.487 4.228 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(O)cc3)o2)c(Br)c1 8368396 BEUBDLGOCDPLCN-SRZZPIQSSA-N 399.244 4.487 50 40 GIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 20197670 MOYWLDRKEJNSBZ-OEAKJJBVSA-N 392.411 4.198 50 40 GIGB Cc1ccccc1NC(=O)[C@@H]1[C@@H]2[C@@H]3C[C@H]([C@H](Cl)C3)[C@@H]2ON1c1ccccc1 101345063 KAQDAEQXVSETDF-PUJOTZPESA-N 382.891 4.386 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1OCC 107665628 CQJNPDSDPUTAHM-OEAKJJBVSA-N 378.428 4.107 50 40 GIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cccc(O)c1 2670160 VGLTZGGALIDKMO-QGOAFFKASA-N 384.391 4.157 50 40 GIGB CC(C)c1ccc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 857509 TUVUPMPVBLFLGY-FOKLQQMPSA-N 393.365 4.430 50 40 GIGB N#C[C@H](c1ccccc1)N(CCCCl)C(=O)c1ccc(Br)o1 1783485 LETNTUFTYCQWBH-CYBMUJFWSA-N 381.657 4.378 50 40 GIGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 36008030 POTRAIWLELMNOC-UXBLZVDNSA-N 378.171 4.153 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(C)c3)o2)cc1Cl 408998937 JMXSYKMJAVXGIY-FSJBWODESA-N 396.830 4.459 50 40 GIGB O=C(/C=C/c1ccc(Cl)cc1)N/N=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 409062551 WQWYLKWXUBLNJR-HBZKCSNRSA-N 394.818 4.202 50 40 GIGB CCOC(=O)/C(C#N)=C/c1ccccc1OCCOc1cc(C)cc(CC)c1 4676326 UVZFIXLZZOFUOM-HMMYKYKNSA-N 379.456 4.485 50 40 GIGB COC(=O)c1ccc(/C=N/NC(=O)c2sc3cc(C)ccc3c2Cl)cc1 5619122 PGUUIMHFZXUVRQ-UFFVCSGVSA-N 386.860 4.414 50 40 GIGB Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 15934389 KNXKSAUXNHAGLU-LGJNPRDNSA-N 386.430 4.175 50 40 GIGB CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1 408866012 FHTLTXSAAJXUDP-NTUHNPAUSA-N 387.233 4.099 50 40 GIGB O=C(Cl)c1ccc2oc(-c3ccc(I)cc3)nc2c1 226317469 PNHZDJCSYBJAQI-UHFFFAOYSA-N 383.572 4.478 50 40 GIGB COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c1 5720968 AGPRKVDLTBGFSN-BUVRLJJBSA-N 390.439 4.047 50 40 GIGB N#C/C(=C/c1cccc(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 13424403 DEKFJVOIEQKIKL-YBEGLDIGSA-N 394.272 4.196 50 40 GIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1c(O)ccc2ccccc12 3226737 FABXOEWODVIEHY-OPEKNORGSA-N 387.361 4.126 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCC)cc3)n[nH]2)cc1 4677857 NKIAMDNAWNWSFY-HZHRSRAPSA-N 392.459 4.028 50 40 GIGB CCCCCC(=O)NNc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 6149617 LBNWZGWQCSDUKU-UHFFFAOYSA-N 394.519 4.218 50 40 GIGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OCC 8846156 BGJAXVAVLHTHSM-NRFANRHFSA-N 379.460 4.065 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccc(OC)cc23)ccc1OC 57996535 FWYZSMAGHNUJQT-DHDCSXOGSA-N 376.412 4.374 50 40 GIGB COc1cc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc2c1OCCO2 63412633 CIIOYPOSGUDDAL-OVCLIPMQSA-N 377.425 4.049 50 40 GIGB N#C/C(=C/Nc1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 100706637 DZDGIDVZVBNEAW-RAXLEYEMSA-N 397.681 4.353 50 40 GIGB Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1ccccc1 408692979 ZZEXRPDKHFENMI-ZMOGYAJESA-N 380.879 4.310 50 40 GIGB Cc1cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)c(C)n1-c1ccccn1 409230148 XAHCMWIJNKTIDM-XYGWBWBKSA-N 383.455 4.044 50 40 GIGB COc1cc2c(cc1OC)/C(=N/NC(=O)Cc1cccc3ccccc13)CCC2 859005 VXUPTPVKAJWYJR-NJNXFGOHSA-N 388.467 4.256 50 40 GIGB CCCCc1[nH]nc2c1[C@H](c1cccc(OC3CCCC3)c1)C(C#N)=C(N)O2 4631744 KQDLPPCYXOAUQW-LJQANCHMSA-N 378.476 4.292 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@H]3[C@@H]4CCCC[C@@]43C)o2)c1 4866056 JCPFIUFXGRGHTH-VEYNRMQPSA-N 380.444 4.010 50 40 GIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 15219822 OUBOQWBJPNYSQY-LGMDPLHJSA-N 378.428 4.204 50 40 GIGB CC1(C)CC(=O)C2=C(C1)OC(/N=C/N1CCCC1)=C(C#N)[C@@H]2c1ccccc1 18247473 ZNSJHIIRXFWLPS-RASHHNMQSA-N 375.472 4.303 50 40 GIGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNc2ccccc2)o1 42653514 IYPDSCGKPQAZON-AFUMVMLFSA-N 399.454 4.003 50 40 GIGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OC(C)C)c(OC)c2)c(C)c1 408906388 BGEYSHQCTBDTIR-BUVRLJJBSA-N 398.503 4.272 50 40 GIGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 409361245 BPGDYAJQJYTGEF-OEAKJJBVSA-N 391.427 4.418 50 40 GIGB COc1ccc(Cl)cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 1435351 JNUHQVVQEDTEMO-DNTJNYDQSA-N 387.650 4.185 50 40 GIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1 7608090 SAOQMFBJKLZRNJ-FVIRYLMMSA-N 377.488 4.446 50 40 GIGB CC[C@]1(O)CC[C@H]2[C@H]3CC[C@H]4C/C(=N\NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 35074920 KJZFCRKXKZWGNY-YICMQNRCSA-N 375.557 4.195 50 40 GIGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)cs1 36075323 SOLHSYOCZLWYSN-ACAGNQJTSA-N 393.380 4.217 50 40 GIGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)C1 45887149 MZIUKPHNVAJZLH-LLVKDONJSA-N 375.211 4.267 50 40 GIGB C[C@@H](Sc1c(F)cc(F)cc1F)C(=O)C(C#N)=C1Nc2ccccc2N1 102388578 NEGDXUJLXQDJIW-SECBINFHSA-N 375.375 4.426 50 40 GIGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCC(=O)O 408581193 HLJORMQXQFLCKQ-OVCLIPMQSA-N 387.819 4.275 50 40 GIGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 408598719 JHBHZQZRNCDBAC-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 713700 LAAVFQLNRUZITD-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB CCOc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 870409 BVFAAICSUHHIHQ-GOSISDBHSA-N 395.846 4.102 50 40 GIGB O=C(N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12 1040471 NZONBJBNHBVJMR-GUJRAXHGSA-N 398.422 4.071 50 40 GIGB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 3175028 DRAWMZNOHYPSES-LGVXEURYSA-N 389.411 4.179 50 40 GIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Cl 3176585 CHYBYQDPJPGKDC-KRWDZBQOSA-N 379.847 4.339 50 40 GIGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 4888843 HSACPWHOQLTPCH-MRXNPFEDSA-N 380.498 4.290 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OC(C)C 8812419 DYFJFCOLWRILMK-SSDVNMTOSA-N 378.831 4.429 50 40 GIGB O=C1c2ccccc2-c2ccc(C(=O)C(Br)Br)cc21 100035764 KMVHWFJKGRXOPB-UHFFFAOYSA-N 380.035 4.197 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc(OCC)c1O 408800453 MJLAJNKOODGQBL-LDADJPATSA-N 392.455 4.382 50 40 GIGB C/C(=N\NC(=O)c1ccccc1Br)c1ccc2ccccc2c1O 4599785 MMGIIXMJKNQRSQ-CIAFOILYSA-N 383.245 4.462 50 40 GIGB C/C(=N\NC(=O)c1cc2c(s1)C[C@H](C)CC2)c1ccc(-n2ccnc2)cc1 17077450 RHPGKARPLMXWHK-MGONWTETSA-N 378.501 4.213 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F 35105431 YFIQYXQUEKRCAT-WQLSENKSSA-N 378.762 4.496 50 40 GIGB Nc1cccc(C(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 98001684 ORANSJBMNDJIAE-UHFFFAOYSA-N 396.450 4.446 50 40 GIGB O=C(N/N=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)c1cccc([N+](=O)[O-])c1 408605718 YPKDFQUHIAYZAK-FBHDLOMBSA-N 387.754 4.411 50 40 GIGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1 408803785 AMEGMESIHKVKPI-BRUNEHJMSA-N 378.428 4.247 50 40 GIGB CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C#N)[C@@H]1c1cccc(Cl)c1 668736 CYURSNFZAHQJQO-KRWDZBQOSA-N 380.831 4.122 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(C(F)(F)F)cc1 1097711 KAUHLTXNWKWTTC-OAHLLOKOSA-N 382.345 4.314 50 40 GIGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(Br)cc1 1440614 WNNDVAQMDXDLGT-DJKKODMXSA-N 397.725 4.486 50 40 GIGB O=C(CCCCl)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 3064135 CZBHXDJJGYRTPP-PYCFMQQDSA-N 391.254 4.153 50 40 GIGB Cc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1 6266297 XPZZNCBGWUCVOY-UYRXBGFRSA-N 389.455 4.229 50 40 GIGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Cl 7386335 DWBXFPLZFOSTOP-OEAKJJBVSA-N 385.895 4.491 50 40 GIGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1 15231365 AWEYWZBCVIYZCB-JJFYIABZSA-N 394.818 4.050 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(Cl)c(Cl)c1 20086699 UAIZWWVSBDNBPX-OAHLLOKOSA-N 397.217 4.134 50 40 GIGB COc1cccc(-c2csc(/C(C#N)=C/c3ccc(O)c([N+](=O)[O-])c3)n2)c1 36047390 IQSLFMKIOQKWBF-VGOFMYFVSA-N 379.397 4.497 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 59291896 JQSPDFQEKXJLJM-DTQAZKPQSA-N 388.379 4.053 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OCc2ccccc2)cc1 408890831 ZWKRYFDMEBWPFH-BUVRLJJBSA-N 390.439 4.047 50 40 GIGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)c1ccco1 33752465 HUSKTCBHIQGNTK-LFVJCYFKSA-N 399.406 4.053 50 40 GIGB COc1cc(Br)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1OC 6380702 ZEDRHYFIYFLXOP-MLPAPPSSSA-N 389.205 4.439 50 40 GIGB N#CC1=C(N(C(=O)CCl)C(=O)CCl)c2ccccc2CC12CCCCC2 1245084 COQYAOAODMKZAA-UHFFFAOYSA-N 391.298 4.261 50 40 GIGB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N/N=C/c1cccs1 4699918 HGBPKCMSPZUKBY-CJLVFECKSA-N 377.469 4.343 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc2ccccc2c1 15222126 WQVBTQSJFHKDKU-JGTYQCAFSA-N 399.494 4.450 50 40 GIGB COc1ccc(S(=O)(=O)/C(C#N)=C\Nc2ccc(Cl)c(Cl)c2)cc1 100706643 CIAXJSXIYTZJEC-UVTDQMKNSA-N 383.256 4.253 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCC#N 408798612 WISFVQNGEATWTA-QGOAFFKASA-N 375.428 4.096 50 40 GIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)CNc1cccc2ccccc12 409392066 NRGVQEGLNUYSMN-ZMOGYAJESA-N 381.863 4.454 50 40 GIGB O=C(N/N=C/c1ccc(Br)cc1)C12[C@@H]3CCC[C@@H]1C32c1ccccc1 100955362 WQJQCBODITURGQ-ROBJYPQYSA-N 395.300 4.267 50 40 GIGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)N1CCOCC1 409023880 LXRZCZBSXQMJTR-QBFSEMIESA-N 390.917 4.318 50 40 GIGB O=C(CCCC[C@H]1CCSS1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220758999 ZKVPEYITHRFCNA-HOCLYGCPSA-N 395.594 4.442 50 40 GIGB Cc1ccccc1OCCC(=O)NNC(=O)c1sc2ccccc2c1Cl 3408808 JKIAXLZMHFFPDS-UHFFFAOYSA-N 388.876 4.093 50 40 GIGB COc1ccc(C(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)c(O)c1 409392815 SEPIOPAXSUNDJW-YDZHTSKRSA-N 378.428 4.105 50 40 GIGB O=C(/C=C/c1ccco1)Oc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1 30817659 NEWHNZADBVCUHS-PCAIFWSDSA-N 394.814 4.316 50 40 GIGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)C(=O)c1ccccc1 83325657 OAMUQIYHMUCYRV-XDJHFCHBSA-N 389.432 4.244 50 40 GIGB Cn1cc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)c2ccccc21 5740702 ZFGGLFYKYRENFN-PTNGSMBKSA-N 385.452 4.346 50 40 GIGB Fc1cc(CBr)c(Br)cc1I 169795569 IFSRBNNZTMWFIG-UHFFFAOYSA-N 393.819 4.088 50 40 GIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(CC)ccc2nc1Cl 872613 PQDSSUVRBVQVPH-GOSISDBHSA-N 397.862 4.095 50 40 GIGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 660104 QYFABGBUVHVYCX-SFHVURJKSA-N 380.810 4.191 50 40 GIGB Cc1cc(SCC(=O)N/N=C/c2ccc(O)cc2)c(C)cc1Br 3275249 LHAXUPIXHACOTQ-DJKKODMXSA-N 393.306 4.014 50 40 GIGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4)CC(=O)N3C2)cc1 4923162 NRMMQEQRWDWGFG-IBGZPJMESA-N 375.497 4.468 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OCc1cccc(C)c1 409087801 ZRHARHWHGPKYEN-CVKSISIWSA-N 399.450 4.218 50 40 GIGB O=C(N/N=C/c1cccc(Cl)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 5631874 RZKWZJWFHYLVJJ-YDZHTSKRSA-N 390.314 4.356 50 40 GIGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 948287 YSONKTYQGFAEMS-LFIBNONCSA-N 393.512 4.395 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1[C@@H]1CC=CCC1 987217 JFSVEAUYKTUNDP-IAQYHMDHSA-N 397.276 4.365 50 40 GIGB CCCCOc1ccc(/C=N/NC(=O)CSCc2ccc(OC)cc2)cc1 59473373 LISWEXNVZAMNIV-HYARGMPZSA-N 386.517 4.258 50 40 GIGB C/C(=N\NC(=O)c1sc(N)nc1C)c1ccc(Oc2ccccc2)c(F)c1 98055021 LDDOOMXMLGRAFI-FOKLQQMPSA-N 384.436 4.119 50 40 GIGB O=C(CNC1CCCCC1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 409376056 SWUDVAZYOMKARU-CVKSISIWSA-N 388.515 4.062 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1 2801803 HXPSCFZMYQGFHR-SSDVNMTOSA-N 398.802 4.071 50 40 GIGB COc1cc(Cl)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC 66202157 JWLSEVVABPCYLP-DNTJNYDQSA-N 387.650 4.428 50 40 GIGB CC(C)CC(CC(C)C)=NNC(=O)c1ccc(CSc2nncn2C)cc1 5444388 CJRMCIWXGRAOSV-UHFFFAOYSA-N 387.553 4.285 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)cc1 4705387 ZZFOTIGSANPJCT-UKTHLTGXSA-N 387.233 4.099 50 40 GIGB O=C(N/N=C\c1cc(Cl)cc(Br)c1O)c1ccc(Cl)cc1 4775427 XSQFUBXCMUQSDP-WSVATBPTSA-N 388.048 4.225 50 40 GIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1 408873660 UPHITAXXTRSMEE-AWQFTUOYSA-N 391.880 4.249 50 40 GIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408983870 NVFAPYUAZZKAJK-YBEGLDIGSA-N 380.831 4.215 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 409221392 PQALJRZRNUXTOS-JQFNYASXSA-N 394.858 4.145 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 5744478 RZRQVHNNPSEYAO-SSDVNMTOSA-N 398.802 4.071 50 40 GIGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 951074 RQTUSWJQEBIBTK-SFQUDFHCSA-N 393.439 4.292 50 40 GIGB CCSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1 20347532 UGJCNPOGAMTNDB-IBGZPJMESA-N 395.484 4.376 50 40 GIGB COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2C)c1 704545 GKKLCKPKGUYMLA-BUVRLJJBSA-N 387.439 4.020 50 40 GIGB CCN(CC)CCCN(C(=O)CCl)c1nc(-c2ccc(OC)cc2)cs1 4169393 YBYHHCFPSVXVOA-UHFFFAOYSA-N 395.956 4.122 50 40 GIGB CCCCCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 32520577 DQNFHMBMVZKXCW-HYARGMPZSA-N 396.516 4.374 50 40 GIGB O=C(N/N=c1/oc2ccccc2cc1-c1nc2ccccc2[nH]1)c1cccc(F)c1 33750843 JEKGGJCCCDHHTB-WEMUOSSPSA-N 398.397 4.361 50 40 GIGB C[C@@H](Cl)C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 39759570 HWGXUSAJGIVXBQ-LLVKDONJSA-N 386.864 4.023 50 40 GIGB O=C(Cc1cc2ccccc2[nH]c1=O)NNc1c(Cl)cc(Cl)cc1Cl 40143075 FZCDBCYOTBCANA-UHFFFAOYSA-N 396.661 4.174 50 40 GIGB O=P(c1ccccc1)(c1ccccc1)c1c(F)cccc1Br 95611980 WGSDCFVXAHYFRS-UHFFFAOYSA-N 375.177 4.228 50 40 GIGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)c1ccc(C(=O)O)cc1 408541663 FBMCYCOXTFLCBE-ZHZULCJRSA-N 398.418 4.466 50 40 GIGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCC 408859572 VGOUIDUOEJDKHC-UCQKPKSFSA-N 378.428 4.333 50 40 GIGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1cccc2ccccc12 108904742 UCKYAUQNYRQDRZ-AFUMVMLFSA-N 379.419 4.104 50 40 GIGB CCOc1cccc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)c1 730087 QLCOPSLEMDTZLY-YDZHTSKRSA-N 387.443 4.029 50 40 GIGB COc1ccccc1/C=N\NC(=O)c1ccc2c(c1)CN(c1ccc(F)cc1)C2 408727597 FOEMCYHOAHJTCR-MXAYSNPKSA-N 389.430 4.118 50 40 GIGB N#CC(=C\c1coc2ccc(O)cc2c1=O)/C(O)=N/c1nc2ccccc2s1 9089648 GADKWXHYPZMQRZ-YRNVUSSQSA-N 389.392 4.303 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](O)c3ccccc3)c2C)cc1Cl 408590880 QYTPKPDNHPSSNE-UQQIOGDDSA-N 395.890 4.240 50 40 GIGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1cc(Cl)ccc1Cl 7159696 VRHILKHDWXGXTF-KPKJPENVSA-N 391.210 4.002 50 40 GIGB C[C@@H]1CCCC/C1=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 97359957 OOGNDSXSWDSASE-QKBSMRNQSA-N 377.488 4.230 50 40 GIGB COc1ccc(CC(=O)N/N=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 208222604 UAFLPAVVSXHOFQ-OYJNRBEISA-N 379.504 4.110 50 40 GIGB Cc1cccc(N2C(N)=C(C#N)[C@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)c1 1056595 QJDKUSKWWKOERG-NRFANRHFSA-N 384.483 4.331 50 40 GIGB CCN(CC)C(=S)SC/C(=N\NC(=O)OCC(C)C)c1ccccc1 12346327 GHZCACNFMWFGKY-KNTRCKAVSA-N 381.567 4.133 50 40 GIGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 59515647 ZXQFZPBLIQAOFC-DNTJNYDQSA-N 384.650 4.044 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1cccc(C)c1 59334279 YBTAPDXUFYSIOG-MFOYZWKCSA-N 384.863 4.231 50 40 GIGB CC(C)N1CCC(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 55075768 CNNPNHMLTZXGRR-UHFFFAOYSA-N 386.499 4.492 50 40 GIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 5548858 PQHKVQBCCABKAJ-MFKUBSTISA-N 388.467 4.412 50 40 GIGB C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Br)c1 408780167 UJUOACVGVXECAC-GIJQJNRQSA-N 396.628 4.165 50 40 GIGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 409366329 UIWPEVBBRYMVSF-LPYMAVHISA-N 377.400 4.164 50 40 GIGB COc1ccc2c(c1)NC(C(=O)CBr)=C[C@H]2OCc1ccccc1 26896426 NQOVZLJTEIBPLY-LJQANCHMSA-N 388.261 4.227 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCCc1ccccc1 5610770 IROKTANWSVKNGW-NBVRZTHBSA-N 387.395 4.121 50 40 GIGB Cc1ccc(C(=O)OC[C@@H]2O[C@H](Cl)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1 16970775 FJHSYOMVMMNQJQ-FHWLQOOXSA-N 388.847 4.040 50 40 GIGB in-vitro N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)c(Oc2ccccc2)c1 804049 RSYVNKVQMIZYRM-HXUWFJFHSA-N 376.387 4.433 50 40 GIGB O=C(NC1CCCCC1)[C@@H](Br)[C@H](Br)c1ccccc1 1801136 OTQYHQDFAKWSDZ-KGLIPLIRSA-N 389.131 4.335 50 40 GIGB O=P(C(=S)N[C@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@@H]12)(c1ccccc1)c1ccccc1 2577627 YSKJWRGCOCIJFA-DOJYXZBASA-N 393.492 4.476 50 40 GIGB C/C(=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 4417135 ACRSTJVROWCVKH-PXLXIMEGSA-N 383.448 4.120 50 40 GIGB O=C(N/N=C/c1ccccc1)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 9088956 DUAZHBMAYBHAFL-PCLIKHOPSA-N 396.450 4.420 50 40 GIGB COc1ccc(/C(=N/NC(=O)c2cc3ccccc3n2C)c2ccccc2)cc1 13897884 FSZAUKYPGQGHSJ-WJTDDFOZSA-N 383.451 4.369 50 40 GIGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 409188733 FWSGWJJHIIYWKL-WJDWOHSUSA-N 398.846 4.216 50 40 GIGB N#C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccccc1 409195577 RATGXBZMTVGLQV-YNYZQSIGSA-N 387.414 4.162 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(=O)NCCCc1ccccc1 409249132 IOSIPOABNKCBBQ-QNGOZBTKSA-N 381.435 4.474 50 40 GIGB O=C(CCCC[C@H]1CCSS1)NCCn1ccnc1-c1ccccc1 524729003 RBZJGYRATOETLU-KRWDZBQOSA-N 375.563 4.380 50 40 GIGB biogenic CC(C)(C)c1[nH]nc2c1[C@@H](c1cc3ccccc3nc1Cl)C(C#N)=C(N)O2 804015 VENHXDQCMSGXMY-AWEZNQCLSA-N 379.851 4.127 50 40 GIGB CC1(C)[C@]2(C(=O)NCc3ccccc3Cl)CC[C@@]1(C)C(=O)[C@H]2Br 2172589 DGRQQFSPTYGWLX-JEBQAFNWSA-N 398.728 4.115 50 40 GIGB CCOC(=O)N/N=C/c1cn(CCOc2cc(C)cc(C)c2)c2ccccc12 2306604 YWGICCOARWKZKL-OEAKJJBVSA-N 379.460 4.417 50 40 GIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(C)cc3)o2)ccc1Cl 6211408 RXBCRAGCKHMKKL-FSJBWODESA-N 396.830 4.459 50 40 GIGB COc1cccc(-c2[nH]nc3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)c1 6733538 YABOMWCHHKSFHM-LJQANCHMSA-N 386.455 4.427 50 40 GIGB N#C/C(=C\c1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 7917171 MGDBTPGUZYZYOU-NTEUORMPSA-N 382.666 4.441 50 40 GIGB CC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19830752 XPVFQOZKSYKSEA-GAJHUEQPSA-N 384.435 4.300 50 40 GIGB O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1n[nH]c2c1CCc1ccccc1-2 33680329 XMCLZECGHNGDKN-YVNNLAQVSA-N 385.254 4.246 50 40 GIGB COc1ccc(Oc2ccc(/C=N\NC(=O)OC(C)(C)C)cc2[N+](=O)[O-])cc1 97991335 IOTMYIINTISIGY-NDENLUEZSA-N 387.392 4.254 50 40 GIGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OCC 408775915 WQMHRDVLZYKUGT-JXAWBTAJSA-N 393.487 4.486 50 40 GIGB Fc1cc(Br)c(I)cc1CBr 575688931 YSHRFYDZUQSHQU-UHFFFAOYSA-N 393.819 4.088 50 40 GIGB O=C(CSc1cccc2cccnc12)N/N=C/c1c(O)ccc2ccccc12 1027899 VUBAZZSYSJKAIQ-ZMOGYAJESA-N 387.464 4.336 50 40 GIGB CC(C)CCN1CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2C1 20348103 KJWORTRFUZBRFH-INIZCTEOSA-N 375.925 4.401 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccccc1Cl 7164032 MGLQWLVDKGPVBI-MHWRWJLKSA-N 382.847 4.113 50 40 GIGB CO[Si](CCCCCCOc1c(F)c(F)c(F)c(F)c1F)(OC)OC 627274954 ZRFGJICBOFTAME-UHFFFAOYSA-N 388.405 4.199 50 40 GIGB C[C@H]1CC(C)(C)N2C(=O)C(=C(C#N)C#N)c3cc(OC(=O)c4ccccc4)cc1c32 4702861 RCVLYTYWGXRRGA-AWEZNQCLSA-N 397.434 4.339 50 40 GIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 5130249 KWFZIJOZLWHSBI-HNNXBMFYSA-N 378.457 4.064 50 40 GIGB Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1-c1ccc2ncccc2c1 408965537 IKQAXOURMAVQPQ-QFEZKATASA-N 384.439 4.112 50 40 GIGB COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)c1 408999815 VZFOKMZVHUCOIP-BUVRLJJBSA-N 387.439 4.020 50 40 GIGB O=C(N/N=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1O 409114766 LBGKPHZIKBWDRB-BKUYFWCQSA-N 393.424 4.216 50 40 GIGB COc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1 4688386 YJBCPWLDOVMPKK-OEAKJJBVSA-N 389.411 4.005 50 40 GIGB COc1cccc(C(=O)NNC(=O)c2ccccc2Nc2ccc(C)cc2C)c1 5587907 OERZJWGRSBREOK-UHFFFAOYSA-N 389.455 4.130 50 40 GIGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409239089 BTAOQOTZODQVAP-PDGQHHTCSA-N 398.890 4.403 50 40 GIGB COc1ccc2[nH]c(/C(C#N)=C/c3cccn3-c3cccc(C(=O)O)c3)nc2c1 9263629 YRKLOARJQNIINQ-RVDMUPIBSA-N 384.395 4.125 50 40 GIGB COc1ccc([C@H]2C(C#N)=C(SC)NC3=C2C(=O)CC(C)(C)C3)cc1OC 1471908 DWKUUFLCQOLYRF-SFHVURJKSA-N 384.501 4.132 50 40 GIGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(Br)o1 408999123 WLQQWJYJPXMLGN-RQZCQDPDSA-N 387.686 4.328 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccccn1 409240828 IIPDNOOPVUYQTK-WSDLNYQXSA-N 397.276 4.016 50 40 GIGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 408891547 ACCXXFBHEPEMSU-FOWTUZBSSA-N 395.415 4.328 50 40 GIGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408589233 LBLMLNOFTRCBCL-ZVHZXABRSA-N 395.890 4.449 50 40 GIGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408787083 QWUBEFJSKAPSLU-ZMOGYAJESA-N 379.435 4.314 50 40 GIGB COc1ccc2ccc(OC)c(/C=N/NC(=O)COc3ccc(Cl)cc3)c2c1 409014913 QGCBGOQSVORTJO-FSJBWODESA-N 398.846 4.040 50 40 GIGB CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1 408542859 OGEJOZSXRPARQH-LGMDPLHJSA-N 386.407 4.482 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1Br 33412974 NNMIQCDWGOIIQS-LCYFTJDESA-N 387.233 4.012 50 40 GIGB COc1cc(C(=O)NNc2c(F)c(F)cc(F)c2F)ccc1OCC(C)C 2635436 WRVNJAMWCIXXOT-UHFFFAOYSA-N 386.345 4.043 50 40 GIGB O=C(N/N=C/c1ccccc1Cl)C(Oc1ccccc1)Oc1ccccc1 3167496 YHHCGWQVQRPTER-HZHRSRAPSA-N 380.831 4.274 50 40 GIGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 3666172 SXTSPQNKHFRKNI-DNTJNYDQSA-N 384.650 4.044 50 40 GIGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)c1O 35409485 GKSMFGLGEJZKAY-UFWORHAWSA-N 389.820 4.241 50 40 GIGB Cc1ccccc1NC(=S)NNC(=O)c1cc(C(C)C)nc2ccccc12 40009571 BQHJVNAFOFNXIT-UHFFFAOYSA-N 378.501 4.298 50 40 GIGB Cc1cc(C(=O)NP(=O)(N2CCCCC2)N2CCCCC2)c(C)n1C1CC1 102966381 YQEQIPNFKRWQMU-UHFFFAOYSA-N 392.484 4.250 50 40 GIGB O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408530509 MASWZDJRKNLKCN-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB Cc1ccc([C@H]2CC(=O)NC(SCc3ccc([N+](=O)[O-])cc3)=C2C#N)cc1 6477719 PZJSYRKJFYCNPT-QGZVFWFLSA-N 379.441 4.175 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)ccc1O 59473550 XEQXOTVODOOCLA-OEAKJJBVSA-N 392.480 4.457 50 40 GIGB Cn1/c(=N\NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2ccccc21 3299399 BOMGQCZVDPMTOJ-DARPEHSRSA-N 397.544 4.328 50 40 GIGB COc1cccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c1 409110907 ZMUMRXWVBOOBKB-AWQFTUOYSA-N 383.300 4.386 50 40 GIGB N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1ccc(F)cc1 2436512 UDLLOWOIKLDENZ-QGZVFWFLSA-N 383.423 4.184 50 40 GIGB Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 5490388 AHBZFMUEPAOYLD-LJQANCHMSA-N 392.846 4.169 50 40 GIGB CCCCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc12 408734915 LKWARMOVIWRZHO-YWXUCKCNSA-N 378.472 4.221 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)CCc3ccccc3)o2)cc1[N+](=O)[O-] 409031550 HCHADSGBSAHMAD-HYARGMPZSA-N 377.400 4.246 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc(OC)c1OC 40139944 ADJGTAKNAYWRDZ-MLPAPPSSSA-N 380.375 4.123 50 40 GIGB CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cc(C)sc3C)c21 5408646 NNFTUCSNNMBEOL-KRWDZBQOSA-N 392.484 4.372 50 40 GIGB COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1ccccc1 5512862 QEGXDEWVDOUJHU-KOEQRZSOSA-N 388.467 4.357 50 40 GIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)o1 1210872 MAHGPEUDXDDRTM-JLHYYAGUSA-N 388.265 4.434 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCCCC3)o2)cc1 1515501 QJQKQBNFLZBHEV-NBVRZTHBSA-N 378.428 4.043 50 40 GIGB O=[N+]([O-])c1ccc(O[P@](=O)(CCl)N(CCCl)CCCl)cc1 2044159 FHIAZVOYQILZEU-OAQYLSRUSA-N 375.576 4.143 50 40 GIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1c(Cl)cccc1Cl 4735288 ZHZLLXRYHXIPDG-DJKKODMXSA-N 386.076 4.449 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1 6405569 FHLPYJGZGYLAGV-FOKLQQMPSA-N 395.846 4.240 50 40 GIGB C/C(=N\NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1)c1ccccc1O 9363554 NAAOLKMRNGEVPD-UFFVCSGVSA-N 389.242 4.243 50 40 GIGB O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Cl)c2cccnc2c1O 59459105 RQUVGCKRUBCUQQ-DHRITJCHSA-N 389.842 4.440 50 40 GIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)n1 408808142 DKZDJZYWNBYMJI-RIYZIHGNSA-N 395.802 4.359 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 408890836 ZYDDSCLYYHTRCA-IZZDOVSWSA-N 392.198 4.456 50 40 GIGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Cc2cccc(OC)c2)c1C 408968232 UVVJXNZVJHVDFR-XYGWBWBKSA-N 389.499 4.358 50 40 GIGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1ccccc1 4702554 GEZRVSAMUCYGRL-KOEQRZSOSA-N 388.467 4.357 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1C 6332848 WVTUYCBXXLWEMX-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OC)c(C)c1 15230291 HSNZKBHHTWLCJB-RGEXLXHISA-N 398.466 4.066 50 40 GIGB CC1(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)SCCS1 38534970 BHCHYRKTSZRJLC-KGENOOAVSA-N 386.542 4.302 50 40 GIGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)CC2=O)cc1C 409154156 JWPFQMYLHUFJSS-RUDKWAFVSA-N 391.515 4.104 50 40 GIGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1OC(F)F)C(C#N)=C(N)O2 2791323 MOGQWVYMSKRHFV-SFHVURJKSA-N 394.381 4.000 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(N)=O 3254322 WBDUMKXOZWNHBA-NTUHNPAUSA-N 391.652 4.074 50 40 GIGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cccc(Cl)c1Cl 4551798 JXIOAEMXYUSENT-CQSZACIVSA-N 384.222 4.053 50 40 GIGB CCOC(=O)Cn1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 6630320 LMLHZWHVBCCTHB-WJDWOHSUSA-N 375.384 4.177 50 40 GIGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CC3)c2C)ccc1Br 6963724 NNSYMEOHSBLMLR-MHWRWJLKSA-N 398.304 4.351 50 40 GIGB Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 9200607 OAMUROKRSVKNMI-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB N#C/C(=C\Nc1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 11692045 DZDGIDVZVBNEAW-JLHYYAGUSA-N 397.681 4.353 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 20764355 NNDQMJJDHZZASA-BUVRLJJBSA-N 391.471 4.265 50 40 GIGB CCOCc1cc(CBr)ccc1-c1ccccc1S(=O)(=O)O 165619047 NWLHWEHGJQRRKS-UHFFFAOYSA-N 385.279 4.032 50 40 GIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2sccc2C)c(C#N)c1C 408546679 MLRXOAUXQKHHSK-NTUHNPAUSA-N 384.482 4.194 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCC#N 408792415 BIIYUHCQNOBMPV-MHWRWJLKSA-N 395.846 4.495 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc2noc(-c3ccccc3)c2c1 3407979 WONHGSGEPMWTRU-HXUWFJFHSA-N 383.407 4.310 50 40 GIGB Cc1ccc(C(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)cc1C 6510536 NKIIWWHDEOSYBM-UHFFFAOYSA-N 383.300 4.164 50 40 GIGB COc1cc(C)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1C(C)C 408677498 RBEWOUKBEXFOIO-BUVRLJJBSA-N 379.504 4.491 50 40 GIGB COc1ccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)c(OC)c1 408725295 DVXXKZCYOHRZKC-YDZHTSKRSA-N 394.496 4.241 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3cc(C)ccc3C)o2)c1 409366737 XUTRHELMKHDPNX-ZVHZXABRSA-N 390.439 4.043 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(O)cc1 408814179 QKOZHRAFRQZWSG-ATVHPVEESA-N 375.403 4.485 50 40 GIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c2ccccc12 9046216 VZEFOXALZFQXHT-FQEVSTJZSA-N 394.434 4.457 50 40 GIGB COc1ccccc1[C@@H]1CC(=O)N2CN(c3ccccc3C)CSC2=C1C#N 6746315 UKPBERGFNXYNLX-KRWDZBQOSA-N 391.496 4.223 50 40 GIGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c1 5726802 CZYFQFVNQLTMHE-MJEARJAWSA-N 380.488 4.255 50 40 GIGB COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)c1 408854652 ARSHXWSSWQVDEI-JMIUGGIZSA-N 387.233 4.276 50 40 GIGB C[C@@H](Oc1ccccc1)C(=O)N/N=C\c1ccc(OCc2ccc(F)cc2)cc1 32112080 DLFBJOSVLNPMMH-WZJLVRHISA-N 392.430 4.322 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)CCCl)c1 14405065 INQNXSJOHNCXNA-UHFFFAOYSA-N 396.878 4.309 50 40 GIGB C[C@H]1O[C@]1(C)C(=O)[C@H](Br)[C@H](Br)c1ccc(Cl)cc1 4837076 HMKVJMOQBUSHGB-OSWAYODCSA-N 396.506 4.286 50 40 GIGB COc1ccc(CSCC(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 59473152 NHXZAFILKZQTRO-LSHDLFTRSA-N 382.407 4.098 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C(\C)c1cc(C)ccc1C 408710623 APMBHGIBSQVXGS-DEDYPNTBSA-N 375.266 4.229 50 40 GIGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccccc1Br 408759909 NXBFSFRBYQKNEF-WSDLNYQXSA-N 379.257 4.465 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(OC)c1OC 408887028 LJUUCKPIKODRHZ-RIYZIHGNSA-N 386.835 4.220 50 40 GIGB Cc1cccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 408962909 VXQZEJCULRJECZ-LPYMAVHISA-N 388.383 4.204 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)c(C)c3)o2)c1 408569045 YLUQCNNQQBJAEY-ZVHZXABRSA-N 390.439 4.043 50 40 GIGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 408852598 LSKRDQKJAQGOMC-UUYOSTAYSA-N 384.819 4.424 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)c(Br)c2)cc1 408858019 IHTJGXPTNNTUEW-GDNBJRDFSA-N 384.277 4.369 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)o1 408997319 NQQLNAWRCMVMBX-RGVLZGJSSA-N 379.913 4.163 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCC#N 408843810 SJVIHOITUACYAA-ZROIWOOFSA-N 399.809 4.326 50 40 GIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)c(OC)c1 408802116 DDQXFLFPBVAOMU-XNHPLOEXSA-N 378.472 4.404 50 40 GIGB C=C(C)CSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)C2=C(CCCC2=O)N1 13284569 JVTRFVNFFGWXQA-IBGZPJMESA-N 382.485 4.139 50 40 GIGB CCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)[C@@H]1c1ccccc1 988567 NYHLHMHGUVWSEP-SFHVURJKSA-N 376.481 4.446 50 40 GIGB CCCCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 2273528 PVZAGLILOBOZQW-FQEVSTJZSA-N 396.487 4.325 50 40 GIGB COc1ccc(C(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)c(OC)c1 6200669 RFZGRTXASWJKNF-ZVHZXABRSA-N 392.455 4.408 50 40 GIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C1/CCCCc2ccccc21 6258224 UDVFHUGXJFOVTE-BWAHOGKJSA-N 375.394 4.364 50 40 GIGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1ccoc1C 6685185 DEFZUEICCGRTLG-ZVBGSRNCSA-N 391.258 4.212 50 40 GIGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(O)c3)c3ccccc3n2)cc1 7010915 JBBFINWJLLUWOR-AFUMVMLFSA-N 397.434 4.385 50 40 GIGB CCOC(=O)Cn1c(C)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 17079458 LGGDUKPQWCPAPA-ATVHPVEESA-N 389.411 4.485 50 40 GIGB O=C(N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1cnccn1 67194091 SGTTVKGJYRHPHB-HOEBFWFUSA-N 395.633 4.461 50 40 GIGB CCOc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c(OCC)c1 101675821 XBAPVULSCVSENY-MFOYZWKCSA-N 386.455 4.493 50 40 GIGB Cc1ccc(SCCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 409146400 SMXVNAUUDYSMEJ-YBFXNURJSA-N 377.853 4.189 50 40 GIGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)o2)c([N+](=O)[O-])c1 409376141 VAGTXVVPKRCURM-WJDWOHSUSA-N 390.399 4.259 50 40 GIGB COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(F)cc3)C3=C2CCCC3=O)cc1 1058097 QQFAEDULYSRIRR-OAQYLSRUSA-N 389.430 4.139 50 40 GIGB CN(C)c1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 2360597 SRJULASJUUBDJA-ZCBHOAFYSA-N 383.495 4.209 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NC1CCCC1 4893941 VSBAZUIBKXUSFX-LCYFTJDESA-N 384.819 4.264 50 40 GIGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1 16194782 YTQWIZWDBLLKME-YVLHZVERSA-N 379.416 4.276 50 40 GIGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 20033305 XGHVINNUYNVHNF-OAHLLOKOSA-N 380.810 4.396 50 40 GIGB C/C(=N\NC(=O)c1ccccc1O)c1cccc(NC(=O)c2cccc(C)c2)c1 20408012 GCRQEFLHEARLDG-PCLIKHOPSA-N 387.439 4.107 50 40 GIGB O=C(N/N=C/c1cc(Br)cc(Cl)c1O)c1cc2ccccc2o1 408852245 FHUPJXMTNMZKFW-UFWORHAWSA-N 393.624 4.318 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)o1 408992783 BXDHZSMGJXPALU-DZUMZMOTSA-N 379.913 4.410 50 40 GIGB O=C(COc1cccc(Br)c1)N/N=C/c1ccc2ccccc2c1 1439201 QBDLFYLNZKNQCW-CIAFOILYSA-N 383.245 4.131 50 40 GIGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(N)=O)cc2Br)c1 408885046 ZTJVKSZWHDLCSC-LZYBPNLTSA-N 385.261 4.037 50 40 GIGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1 19852552 LBUYAUNRTRTBJN-FCHUYYIVSA-N 399.542 4.119 50 40 GIGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 408799887 JAGWCERNSYYABV-OBGWFSINSA-N 382.419 4.406 50 40 GIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C 408590797 QNGFTTHVYAXHKJ-OEAKJJBVSA-N 390.443 4.004 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC#N)cc1 408789686 RAGSIIIPWBMSDQ-XNTDXEJSSA-N 396.244 4.206 50 40 GIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1 408744243 JUMLRQXFFLSQBR-QINSGFPZSA-N 381.229 4.007 50 40 GIGB O=C(CCCC[C@H]1CCSS1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220758949 ZKVPEYITHRFCNA-ZBFHGGJFSA-N 395.594 4.442 50 40 GIGB O=P(C(=S)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@H]12)(c1ccccc1)c1ccccc1 575628268 YSKJWRGCOCIJFA-DENWASCKSA-N 393.492 4.476 50 40 GIGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 1091590 XHGPBYRWKNIEOU-LFIBNONCSA-N 386.245 4.498 50 40 GIGB CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1cccc(Br)c1 12561996 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CC[C@]1(O)CC[C@H]2[C@H]3CC[C@H]4C/C(=N\NC(N)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 28294585 KJZFCRKXKZWGNY-KOMGFORJSA-N 375.557 4.195 50 40 GIGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccccc2)c2ccccc21 408820511 WQXYTQMMUJLJQK-CVKSISIWSA-N 378.435 4.325 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OC 409063352 AGUDRRVASOUIAI-DEDYPNTBSA-N 376.456 4.046 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)cc(OC)c1O 4591285 XJGIAKBYAUBGPP-XNTDXEJSSA-N 391.452 4.285 50 40 GIGB N#CC1=C(SCCOc2ccccc2)NC(=O)C[C@H]1c1ccc(Cl)cc1 6496003 COZIVZNOLJEPRD-KRWDZBQOSA-N 384.888 4.491 50 40 GIGB Cc1cc(C)c(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1C 7208095 MUYUMVITQTUICC-RCCKNPSSSA-N 399.498 4.093 50 40 GIGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2)c1C 408989486 HVYPKHGQYXCSGM-UCQKPKSFSA-N 390.443 4.004 50 40 GIGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccs1)c1ccc(Cl)cc1 5173182 ZMYVHWAVSLVNOT-CIAFOILYSA-N 383.860 4.418 50 40 GIGB C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1 5621102 HXOISGZRQYLRQK-GIJQJNRQSA-N 396.628 4.165 50 40 GIGB Cc1ccc(OCC(=O)N/N=C/C(Br)=C/c2ccccc2)c(C)c1 3085781 WLJODOSDOFJZHK-NHJUXKLCSA-N 387.277 4.220 50 40 GIGB CCCCCOc1ccc(O[C@H](C)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 3175071 OHYMEPBHSPLKRZ-QFNCUCFLSA-N 399.447 4.081 50 40 GIGB CCOc1ccc([C@@H]2CC(=O)NC(SCCOc3ccccc3)=C2C#N)cc1 6355267 YGEOHZPBPISSEX-IBGZPJMESA-N 394.496 4.236 50 40 GIGB O=C(NNC(=O)c1ccc(-c2nc3ccccc3s2)s1)Nc1ccccc1 6936086 NJXXFKAHWUOOKS-UHFFFAOYSA-N 394.481 4.491 50 40 GIGB Cc1cc(C)nc(NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)n1 12877478 LHQBFFUBFJHIGI-UHFFFAOYSA-N 382.851 4.083 50 40 GIGB N#CC1=C2SCN(CCc3ccccc3)CN2C(=O)C[C@H]1c1cccs1 20348011 CDDDDDZHGVPCJH-MRXNPFEDSA-N 381.526 4.006 50 40 GIGB N#C/C(=C/c1ccccc1OCC(=O)O)C(=O)Nc1cc(Cl)ccc1Cl 40161137 VRHILKHDWXGXTF-GHXNOFRVSA-N 391.210 4.002 50 40 GIGB CCC[C@@H](NC(=O)/C(C#N)=C\c1cccc(Br)n1)c1ccccc1 95567910 LIDOPKHSVQTSJY-MLRPBERTSA-N 384.277 4.409 50 40 GIGB in-vitro COC(=O)c1ccc(NC(=O)[C@]23CC[C@@](C)([C@H]2Br)C3(C)C)cc1 100848806 ZTGOHZQTJFQOJK-JLSDUUJJSA-N 380.282 4.002 50 40 GIGB CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408752365 IBSJWUQKFXKLIT-JYRVWZFOSA-N 375.211 4.464 50 40 GIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1 408887071 LVHHMBNHPVQJSR-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1 409104722 HPEOTELANOKDDZ-PDGQHHTCSA-N 391.471 4.158 50 40 GIGB O=C(CNC1CCCCC1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 409377219 GVNQFRISBARNJI-AFUMVMLFSA-N 399.922 4.291 50 40 GIGB Cc1ccccc1NC(=O)[C@@H]1[C@H]2[C@@H]3C[C@H]([C@H](Cl)C3)[C@@H]2ON1c1ccccc1 100891794 KAQDAEQXVSETDF-SVWOMUIQSA-N 382.891 4.386 50 40 GIGB CSc1ocnc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 105969486 TZQHVDAVUZUQBU-UHFFFAOYSA-N 376.441 4.016 50 40 GIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)c(C)c1 409143867 NVXBZCUIWUEKOG-CQSZACIVSA-N 397.525 4.076 50 40 GIGB COc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Cl 408677728 UFYCTZJPYMAWLO-WSDLNYQXSA-N 392.286 4.366 50 40 GIGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 5527723 MONVTKBMFLARQQ-KKBVUKDESA-N 396.230 4.209 50 40 GIGB O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408905172 UPEWFSNAZIBDKT-NKVSQWTQSA-N 377.278 4.124 50 40 GIGB COc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c([N+](=O)[O-])c3)n2)cc1 36638789 WSDLIJGEMHOZSX-ZSOIEALJSA-N 379.397 4.497 50 40 GIGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c1 8811056 BEZSLFQSQQDHDH-ZVHZXABRSA-N 391.471 4.184 50 40 GIGB Cc1cccc(/C=N/NC(=O)CSCc2ccccc2Br)c1 408776973 SSMRALQKDFCDDU-VXLYETTFSA-N 377.307 4.141 50 40 GIGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)c1 409002450 UWAWABKFTBGHPH-WSDLNYQXSA-N 382.803 4.151 50 40 GIGB CC1=NN(c2ccccc2)[C@H]2OC(N)=C(C#N)[C@@H](c3ccc(C(F)(F)F)cc3)[C@@H]12 5416523 NZXNSIKKFXMYFR-GGPKGHCWSA-N 398.388 4.351 50 40 GIGB Cc1n[nH]c2c1[C@@H](c1cc(COc3ccc(F)cc3)c(C)s1)C(C#N)=C(N)O2 5640655 WXRHHZDNVNPPSW-GOSISDBHSA-N 396.447 4.024 50 40 GIGB O=C(CCl)Nc1ccc(CS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 2567029 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COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(O)c1 409392187 NUWJJNPCSWVCPE-FSJBWODESA-N 397.862 4.226 50 40 GIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(C(C)C)cc1)c1ccccc1 408976649 BMXCZIXQOLKVQO-KMUCBOENSA-N 381.476 4.138 50 40 GIGB C[C@H](Oc1ccccc1)C(=O)N/N=C\c1ccc(OCc2ccc(F)cc2)cc1 32112082 DLFBJOSVLNPMMH-HAWKZNDISA-N 392.430 4.322 50 40 GIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 211405240 UDJVTUWFLCIBET-QPEQYQDCSA-N 375.306 4.468 50 40 GIGB C/C(CC(=O)NC1CCCCCC1)=N\NC(=O)c1ccc(Cl)c(Cl)c1 101158353 OHTOWGARNNZTJA-WSDLNYQXSA-N 384.307 4.328 50 40 GIGB CCOc1ccc(/C=C(\C#N)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC 2275008 RJUMBUGZIALCJE-RIYZIHGNSA-N 384.388 4.083 50 40 GIGB O=C(Cn1c(NCCCl)nc2ccccc21)c1ccc(Br)cc1 4114773 TUVYYRMAJNTERT-UHFFFAOYSA-N 392.684 4.332 50 40 GIGB COc1cccc([C@@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)c1 4923460 WDZJTDZRWKHTBB-IBGZPJMESA-N 391.496 4.223 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(C)=O 6656551 ZDQUXEBXSHNVDZ-GDNBJRDFSA-N 384.819 4.210 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 9886154 VBWNZIUKQSSNAS-CIAFOILYSA-N 392.440 4.080 50 40 GIGB COc1ccc(C(F)(F)F)cc1C(=O)[C@H](Br)CBr 575360945 PHLZAHNWXBGZBY-MRVPVSSYSA-N 389.993 4.055 50 40 GIGB N#CCC(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 59500710 OOWAVSICLWKDBQ-SSDVNMTOSA-N 397.843 4.138 50 40 GIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 59419199 UVLIOAOFMQINJJ-CIAFOILYSA-N 383.791 4.201 50 40 GIGB CN(C)c1oc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 59104475 MHQSCBSAHPUULY-YFHOEESVSA-N 394.656 4.307 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1Oc1ccccc1[N+](=O)[O-] 59475417 ZOJCCXDEDYCBFC-HYARGMPZSA-N 391.383 4.160 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cccc(Br)c1 409002427 UOMSLWWNEQMNRY-MTJSOVHGSA-N 397.276 4.016 50 40 GIGB CC1(C)CC(=O)C2=C(C1)OC(/N=C/N1CCCC1)=C(C#N)[C@H]2c1ccccc1 18247475 ZNSJHIIRXFWLPS-PXMCARDJSA-N 375.472 4.303 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1O 408762058 MQWWYXWIKGLSBW-GDNBJRDFSA-N 383.245 4.429 50 40 GIGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccccc1 408790213 VDUGNCWEDJJFGI-XDJHFCHBSA-N 397.434 4.250 50 40 GIGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(Cl)c2)cc1OC 409320070 BMFXHHJEJQELJY-FBHDLOMBSA-N 397.258 4.173 50 40 GIGB N#CC1=C(/N=C(\S)NC(=O)c2ccc(F)c(F)c2)S[C@H]2CCCCC[C@H]12 36612574 GPZRBEVZRYKEDC-ABAIWWIYSA-N 393.484 4.411 50 40 GIGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1 36159454 WVIBOTUVDBAJAZ-VXLYETTFSA-N 381.657 4.265 50 40 GIGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)N1CCOCC1 843129 XCFPNNLEYXICRK-ZRDIBKRKSA-N 377.227 4.019 50 40 GIGB CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c2ccccc21 13389588 KVLYPVDRSGHTJI-ATVHPVEESA-N 387.439 4.059 50 40 GIGB CCc1ccc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1 20238017 MYFMGYATLVMOGW-HXUWFJFHSA-N 389.524 4.464 50 40 GIGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 10315706 FLSGMVVFZBDTDY-LFVJCYFKSA-N 375.472 4.186 50 40 GIGB COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1O 4631313 YWSRPJJBYCOKCI-WUXMJOGZSA-N 384.233 4.412 50 40 GIGB N#C/C(=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc([N+](=O)[O-])cc1 409210459 IUNZUBAFUOEWHT-WZUFQYTHSA-N 390.149 4.035 50 40 GIGB COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1O 32519843 QHOFVKUEEJMXOJ-MYYYXRDXSA-N 397.434 4.380 50 40 GIGB N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)c1ccc(F)cc1 15228994 XKQNWRKRQLBBLN-LCYFTJDESA-N 377.213 4.082 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1ccc(O)cc1 51331054 OZOHIDRARVJQII-OAHLLOKOSA-N 399.237 4.307 50 40 GIGB O=C(CCN1c2ccccc2Sc2ccccc21)NNC(=O)c1ccccc1 2662496 ZGBAGXAZUMORTM-UHFFFAOYSA-N 389.480 4.141 50 40 GIGB CC[C@@H](C)c1ccc(OCCCOc2c(/C=N/NC(N)=O)cccc2OC)cc1 13943108 RSPAGHJMEYVMTN-DTVDJLOLSA-N 399.491 4.059 50 40 GIGB O=C(N/N=C\c1ccc(OC(=O)c2cccs2)cc1)c1ccc(Cl)cc1 33927694 XVABESYUXCHTBC-MTJSOVHGSA-N 384.844 4.385 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccccc1F 59334853 MKCFSXRHVVEQDE-UNOMPAQXSA-N 394.446 4.137 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)c([N+](=O)[O-])cc1OC 97152332 ZJUCQHUZDZDBIN-VGOFMYFVSA-N 391.383 4.192 50 40 GIGB COc1ccccc1NC(=O)N/N=C\c1ccc2c(c1)C(C)=CC(C)(C)N2C 208443285 OVGPXQLRNMYVRR-UCQKPKSFSA-N 378.476 4.483 50 40 GIGB C/C(=N\NC(=O)CSCc1ccccc1)c1ccc(Br)cc1 20247967 ISUPTXXURPOYPH-CPNJWEJPSA-N 377.307 4.223 50 40 GIGB O=C(N/N=C/c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 58900604 ZUEVLPNPDROYLA-OEAKJJBVSA-N 377.831 4.356 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 3348302 IUCUMFICPJQPJT-WGOQTCKBSA-N 395.466 4.102 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C/c1c(F)cccc1Cl 408922015 DJHLXSLTXPPDFA-UFWORHAWSA-N 385.620 4.014 50 40 GIGB COc1ccc(/C=C(/C#N)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 4844291 LTMRMWNEAWOCRR-WJDWOHSUSA-N 376.441 4.172 50 40 GIGB CN(C)c1ccc(C(=O)NN=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1 5460451 CNDHOUVYNHFPTR-UHFFFAOYSA-N 381.520 4.366 50 40 GIGB N#CC1=C(SCCOc2ccccc2Cl)NC(=O)C[C@@H]1c1ccccc1 6496151 ASPRWOWTRGFOFZ-OAHLLOKOSA-N 384.888 4.491 50 40 GIGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 409127688 QVMSOHKREKKALS-YBFXNURJSA-N 377.853 4.189 50 40 GIGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)NC1CCCC1 409189148 DIQAOFHNAQQSRH-PDGQHHTCSA-N 391.427 4.140 50 40 GIGB CC[C@@H](C)c1ccc(NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C)cc1 8733034 RVIJMACWIPJSHR-CXAGYDPISA-N 397.357 4.455 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccccc1F 58822922 XLMSGDHVMVRBPW-ZVHZXABRSA-N 378.403 4.177 50 40 GIGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCc1ccccc1 59224825 ZXUNCLJKMKGHCM-MHWRWJLKSA-N 385.261 4.071 50 40 GIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)c1 408968580 XOGMTTVORXLVSV-LGJNPRDNSA-N 388.446 4.486 50 40 GIGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Br 408754195 IVYIGEHRGCSJLM-OQLLNIDSSA-N 399.244 4.229 50 40 GIGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 409366594 WUWKZQCZYYYMDP-YDZHTSKRSA-N 396.830 4.064 50 40 GIGB Cc1c/c(=N\NC(=O)NC2CC2)oc2cc3c(cc12)CCC1(CCCCC1)O3 70655959 JHBFECPVDIITAB-HIXSDJFHSA-N 381.476 4.046 50 40 GIGB CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C(C[C@H](CC)CC2)[C@@H]1c1ccccc1 16636827 QDGRPBRRSWBNGH-ZNRXUEPQSA-N 375.472 4.100 50 40 GIGB COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCc1ccccc1 36224083 CXLZMWPZDSDXSS-MYYYXRDXSA-N 392.430 4.106 50 40 GIGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 6338452 KLOPHZVLMPRUSE-BUVRLJJBSA-N 391.858 4.285 50 40 GIGB COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2sccc2C)[nH]n1 945734 HGKIFHGWDNPBLV-WSDLNYQXSA-N 390.468 4.372 50 40 GIGB C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1cccc(Br)c1 20248326 WAERWYPASOLHDE-HCZVKUGISA-N 377.307 4.470 50 40 GIGB N#CSc1s/c(=N\N=C\c2ccc([N+](=O)[O-])cc2)[nH]c1-c1ccccc1 5274514 QQFPIJUDOZBKMJ-VXLYETTFSA-N 381.442 4.159 50 40 GIGB N#C/C(=C/c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 4474562 GITYEWWERDRTPO-SSZFMOIBSA-N 378.387 4.008 50 40 GIGB CC(C)(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 408999830 WBRUZZIZCWHWCD-SSDVNMTOSA-N 392.286 4.380 50 40 GIGB CCc1ccc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1 20238013 MYFMGYATLVMOGW-FQEVSTJZSA-N 389.524 4.464 50 40 GIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](/C(C)=C/c2ccco2)C(C#N)=C(N)O3)cc1 4897871 ZJPXDMRSCRILEP-YLZCUGDYSA-N 388.427 4.342 50 40 GIGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)NCCc1c[nH]c2ccccc12 885618 LXRFZJVYEQJKAT-NBVRZTHBSA-N 388.471 4.017 50 40 GIGB C/C(=N\OCC(=O)N/N=C/C1=C(c2ccccc2)[C@H]2C=C[C@H]1C2)c1ccccc1 100067816 HDIQGCXVCDDEIV-NQHPTFEWSA-N 385.467 4.189 50 40 GIGB Cc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(Br)ccc32)cc1 1320717 DGTIFOURIRFRQM-UHFFFAOYSA-N 378.229 4.105 50 40 GIGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccc(Br)c1 1497301 QHSMWIXLKPYDTR-CNHKJKLMSA-N 388.048 4.225 50 40 GIGB COc1cc(/C=N/NC(C)=O)ccc1OCCSc1cccc2ccccc12 4511844 MANBHAXDOQIODQ-HZHRSRAPSA-N 394.496 4.490 50 40 GIGB CCCCCCOc1ccc(OCCOc2ccc(/C=N/NC(N)=O)cc2)cc1 4512007 HOTVRTUJFDSWIY-JJIBRWJFSA-N 399.491 4.106 50 40 GIGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)CC(=O)N1 9088588 MKLJQIQTNOJTIH-GFCCVEGCSA-N 399.299 4.018 50 40 GIGB Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)cc2)c1 408968040 TYUZQLRBGHYZGC-VULFUBBASA-N 387.414 4.349 50 40 GIGB C[C@@H]1CCC/C(=N\NC(=O)c2ccc(C(=O)N/N=C3\CCC[C@@H](C)C3)cc2)C1 5919807 PUFVVOOSLVBTEE-AATXISMLSA-N 382.508 4.278 50 40 GIGB CCOc1cc(Br)c(Br)c(/C=C/C(=O)Cl)c1OC 16688139 BVTLDROJJREXFD-SNAWJCMRSA-N 398.478 4.398 50 40 GIGB O=C(Nc1ccccc1C(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1 705133 BQVMHGBNJVOWGD-MFKUBSTISA-N 382.423 4.184 50 40 GIGB C=CCn1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21 9203231 NBCYDJMGPWVNRU-LPYMAVHISA-N 396.288 4.283 50 40 GIGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccccc1 408819575 XVCFGIJXYNDACX-XOAFGZPJSA-N 386.407 4.429 50 40 GIGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccccc1 4292563 DWPFFEHICHUQQW-HNNXBMFYSA-N 382.345 4.109 50 40 GIGB biogenic CCC[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1 2674510 NLBFHWSREOMMNI-UOBPLZBXSA-N 375.266 4.147 50 40 GIGB COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1 6685736 BUBIUGKWRJSSTI-BUVRLJJBSA-N 390.439 4.047 50 40 GIGB C/C(N)=C(\C#N)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 104368261 VPOHMVCDVYKDPC-VKAVYKQESA-N 375.453 4.426 50 40 GIGB COc1cccc(SCC(=O)NN=C(c2ccccc2)c2ccccc2)c1 1392642 MCJNZKUVOBCYMK-UHFFFAOYSA-N 376.481 4.356 50 40 GIGB Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3cccc(O)c3)c1)C2 408729014 BTPPMWDBMVRETH-DHRITJCHSA-N 385.467 4.293 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Cl 408747175 KAXOTWPJUDNMFU-SXGWCWSVSA-N 385.250 4.229 50 40 GIGB CCc1ccc(-c2cc(C(=O)N/N=C\c3cccc(Br)c3)[nH]n2)cc1 33344127 NSOZRPOYPPUAQF-MTJSOVHGSA-N 397.276 4.166 50 40 GIGB Cc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1N1CCCC1 818653 NLIZGWOOUQBPAD-FQEVSTJZSA-N 377.488 4.046 50 40 GIGB N#CC(C(=O)CSc1ccc(Br)cc1)=C1Nc2ccccc2N1 2660147 MLABDLZUEXENBJ-UHFFFAOYSA-N 386.274 4.383 50 40 GIGB C/C(CC(=O)NC1CCCCC1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 12362373 JHOQUANAENHCIM-NLRVBDNBSA-N 391.515 4.227 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1OCC 408916023 TUINFLZSSSXRNM-OEAKJJBVSA-N 384.476 4.020 50 40 GIGB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(CCCl)CCCl)cc1 59364476 XLPONWKZDMLPSZ-JXAWBTAJSA-N 389.282 4.315 50 40 GIGB CCc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 13147914 JUFOULCZOQZWDC-GZTJUZNOSA-N 376.275 4.350 50 40 GIGB COc1ccc(NCC(=O)NN=C(Cc2ccccc2)Cc2ccccc2)cc1 6247922 YINYTGMRHBTGQS-UHFFFAOYSA-N 387.483 4.065 50 40 GIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 408725896 LSJHUURZNSBDLO-CIAFOILYSA-N 383.791 4.201 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1Br 408741727 NMMADXQXTSUFQX-RGVLZGJSSA-N 393.668 4.431 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(=O)O 408743434 UBZZJCPYHONWIW-AQTBWJFISA-N 385.423 4.338 50 40 GIGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 409365672 VRDDQEANEKBPNQ-HYARGMPZSA-N 377.400 4.110 50 40 GIGB N#C/C(=C/c1cccn1-c1ccc(F)cc1)C(=O)NCCc1c[nH]c2ccccc12 13286317 MOUSDQHDYBYLQW-JXAWBTAJSA-N 398.441 4.364 50 40 GIGB Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)[C@@H]3c1ccccc1Cl 2408621 BCTGNAOVRTWBHY-LJQANCHMSA-N 378.815 4.281 50 40 GIGB aggregator N#C/C(=C/c1cccc(I)c1)c1nc2ccc(F)cc2[nH]1 408567385 DKRZRSCWRNKJFQ-WDZFZDKYSA-N 389.171 4.371 50 40 GIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccccc2F)cc1 409242464 NTYIEWWQJCNCQP-QFEZKATASA-N 380.394 4.237 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 409248983 RVDCKUZUCOJYQN-GHXNOFRVSA-N 391.305 4.168 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCC 1103864 RKBLZDOUYGELEM-VCHYOVAHSA-N 397.294 4.072 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@H]2C[C@@H](c3ccccc3)CC=C12 100518688 BFDLPNAMAQGGCB-XJABCFGWSA-N 377.451 4.069 50 40 GIGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 408965669 LHJXFBILYSIHBW-LPYMAVHISA-N 388.383 4.204 50 40 GIGB COc1ccc(Cl)cc1NC(=O)NNC(=O)c1cc2c(s1)C[C@H](C)CC2 17080493 NLFIFOGJUWLXNJ-SNVBAGLBSA-N 393.896 4.001 50 40 GIGB C/C(=N\NC(=O)[C@@]1(C)NC2(CCCCC2)Cc2ccccc21)c1ccccc1 408734083 IFAWBGVHDUTYRI-UPQSEYGOSA-N 375.516 4.291 50 40 GIGB O=C(CNC1CCCCC1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409381106 FAXVPZFXPHXLSO-AFUMVMLFSA-N 399.922 4.291 50 40 GIGB O=c1c2ccccc2n2c(CCl)nnc2n1-c1cc(Cl)cc(Cl)c1 408712773 PVUOSSKFSUBVCO-UHFFFAOYSA-N 379.634 4.079 50 40 GIGB O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1[N+](=O)[O-] 409075773 XWNUDVLDHXZBMP-YDZHTSKRSA-N 393.374 4.077 50 40 GIGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)cc2)nc2ccccc21 4160145 DTAQBIHTHMOYII-XKZIYDEJSA-N 386.908 4.342 50 40 GIGB Cc1ccc(C(=O)/C=C(\O)C(=O)NN=C(c2ccccc2)c2ccccc2)cc1 100672442 IYFTZBWRIKZLBQ-JWGURIENSA-N 384.435 4.188 50 40 GIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(C#N)cc1 948731 WBAUFVQYDVMONZ-XSFVSMFZSA-N 393.402 4.323 50 40 GIGB O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2cc(Cl)ccc2Cl)[nH]n1 9329651 LNVLBWGGPWDKHL-ZVBGSRNCSA-N 377.206 4.287 50 40 GIGB CCOC(=O)c1c(NC(=O)[C@@H](Br)CC)sc2c1CCCCC2 74941519 LLRMFLUVFFWNPV-NSHDSACASA-N 388.327 4.306 50 40 GIGB Cc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)s1 409170001 SFQSHHFMJVGDKF-RGVLZGJSSA-N 377.897 4.277 50 40 GIGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)CC(=O)N1 1288676 MJVHOIHHQILPRA-QGZVFWFLSA-N 391.496 4.014 50 40 GIGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1 4923106 YHGWQUDUUQJLIE-IBGZPJMESA-N 391.496 4.223 50 40 GIGB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)C(C#N)=C1Nc2ccccc2N1 7227698 YRKITWCLNGMBAB-LBPRGKRZSA-N 389.440 4.059 50 40 GIGB C/C(=N\NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(C#N)cc1 13527823 HRMWPGUZMBQWEK-WPWMEQJKSA-N 394.434 4.016 50 40 GIGB CC(C)c1cccc2cc(CN(Cc3ccccc3)C(=O)CCl)c(=O)[nH]c12 13566556 HQADMDXCWMYNIX-UHFFFAOYSA-N 382.891 4.419 50 40 GIGB Cc1cc(C)n2ncc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)c2n1 40069516 VYLDBEZXZXBNTP-UHFFFAOYSA-N 384.654 4.063 50 40 GIGB O=C(N/N=C/c1ccco1)c1ccc(OCc2ccc(Br)cc2)cc1 59499245 YWQMPBKBSYUBTF-CIAFOILYSA-N 399.244 4.385 50 40 GIGB CC(=O)N/N=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118918952 JTSYJYALWDMECW-CTGAOOCWSA-N 388.552 4.453 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cccn2-c2ccc(Br)cc2)cc1 408848782 UDBFTCGCPATTPC-FYJGNVAPSA-N 398.260 4.012 50 40 GIGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1 639222 GILWWSKOOCDRJT-KRWDZBQOSA-N 391.496 4.014 50 40 GIGB CC(C)(C)c1[nH]nc2c1[C@H](c1cc3ccccc3nc1Cl)C(C#N)=C(N)O2 804014 VENHXDQCMSGXMY-CQSZACIVSA-N 379.851 4.127 50 40 GIGB C/C(=N/NC(=O)c1ccncc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 5888927 XPXVWVJSARKJSH-QFEZKATASA-N 392.846 4.141 50 40 GIGB Cc1ccc(-c2[nH]nc3c2[C@H](c2ccnc4ccccc24)C(C#N)=C(N)O3)c(C)c1 8382705 TZSCTZWTLUAOHX-HXUWFJFHSA-N 393.450 4.460 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(C)c2O)c(Cl)c1 9190626 FDAYUWBKMZLASJ-UFWORHAWSA-N 381.657 4.189 50 40 GIGB C/C(=N\NC(=O)c1ccccc1Cl)c1cccc(I)c1 408779806 KWFQRXYMSOZHGB-VCHYOVAHSA-N 398.631 4.099 50 40 GIGB N#CC(C#N)=Cc1ccc(OCc2ccc(I)cc2)cc1 408995484 ALMNDUFOTGHLRM-UHFFFAOYSA-N 386.192 4.301 50 40 GIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CCc3ccccc3)o2)c1 409038261 ZZJHUODYOYRCMJ-LFVJCYFKSA-N 390.439 4.206 50 40 GIGB O=C(Oc1ccccc1)[C@H](Br)[C@H](Br)c1ccccc1 1646486 ZAXQJVJMPQUZSW-ZIAGYGMSSA-N 384.067 4.492 50 40 GIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(C)o3)o2)ccc1Cl 4545169 MKOMZXCRIWKHFD-UFFVCSGVSA-N 386.791 4.052 50 40 GIGB C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)c1ccccc1C 4904299 YGVPPZWKNMHULZ-WSDLNYQXSA-N 378.259 4.436 50 40 GIGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC1=Nc2ccccc2CC1 12793220 DYPOXXLVBAWSCV-UHFFFAOYSA-N 392.286 4.450 50 40 GIGB O=C(COc1cccc2ccccc12)N/N=C\c1ccc(Br)s1 33771529 MSNBNZHWLFGPCM-GRSHGNNSSA-N 389.274 4.193 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 95532827 OJVRXXVGKYLXKB-LIBWCZBRSA-N 392.842 4.371 50 40 GIGB CCc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(C(=O)O)c2)cc1 96469174 XHBVFOOIUWASBG-JXAWBTAJSA-N 385.423 4.284 50 40 GIGB COc1ccc(-n2cccc2/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1 107891843 KPXVMQIAIMDBKB-PCLIKHOPSA-N 399.450 4.412 50 40 GIGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 4115758 WCYCFZWJFNLTLM-FOWTUZBSSA-N 386.282 4.249 50 40 GIGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1CCc2ccccc2C1 4515049 KOODVNAFUBCNIK-CPNJWEJPSA-N 399.406 4.347 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)o1 6216128 PLBABLYXTFDNAV-GZTJUZNOSA-N 387.395 4.387 50 40 GIGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1 10315736 GBZIERULHHZQER-PCLIKHOPSA-N 389.499 4.494 50 40 GIGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)N(c1ccccn1)c1ccccn1 12524776 XQKSPGNFRLVRTF-DTQAZKPQSA-N 392.365 4.350 50 40 GIGB COc1ccc2c(c1)CCc1cc(C(=O)NNc3ccccc3[N+](=O)[O-])sc1-2 42064758 WAABRMIAFUVCAX-UHFFFAOYSA-N 395.440 4.187 50 40 GIGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408963786 PIDZLXINJVBIIF-YHYXMXQVSA-N 378.171 4.153 50 40 GIGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Cc1cccc2ccccc12 5637602 PWXYQTJJMVWGTA-QGZVFWFLSA-N 398.462 4.150 50 40 GIGB O=C(N/N=C/c1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2 17076915 JARWKSWJGGKSKX-RGVLZGJSSA-N 376.298 4.051 50 40 GIGB C[C@@H](Cl)C(=O)Nc1nc2c(Br)cc(Br)cc2s1 20131939 XBMYPHQEZJDCFM-SCSAIBSYSA-N 398.507 4.387 50 40 GIGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)NC3CC3)cc2[N+](=O)[O-])cc1 33367331 XWXTWHAOBUXKPY-GDNBJRDFSA-N 379.441 4.240 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3[C@H]4CCCC[C@@]43C)o2)cc1 408718886 SCKMAHLYTACQRU-NFPJWQAFSA-N 380.444 4.010 50 40 GIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(Br)o2)c1 408998410 JACGRVTUZLDPAY-QGMBQPNBSA-N 381.295 4.042 50 40 GIGB CC(=O)O[C@H]1C[C@]2(C)/C(=C(\O)C=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]12 1569999059 CTWBLXIJBPZHSL-VHGLZKAZSA-N 386.488 4.071 50 40 GIGB CCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)[C@H]1c1ccccc1 988566 NYHLHMHGUVWSEP-GOSISDBHSA-N 376.481 4.446 50 40 GIGB C/C(CC(=O)N(C)c1ccccc1)=N/NC(=O)Cc1ccc(-c2ccccc2)cc1 4358312 NLJKMRSLEYDCCC-XHPQRKPJSA-N 399.494 4.441 50 40 GIGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)c(OCC)c1 113834752 WQCBOZBTSHMROB-ODLFYWEKSA-N 376.412 4.006 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCC 409068863 JQRVXIKRCCPNPD-QGOAFFKASA-N 392.455 4.377 50 40 GIGB CCOc1ccccc1/C=N/NC(=O)CSc1cc(C)nc2ccccc12 871074 BOSRUGVUSPADFL-LPYMAVHISA-N 379.485 4.184 50 40 GIGB CCCCc1ccc(NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C)cc1 8733015 NEFDVQXVHIUTOP-KRWDZBQOSA-N 397.357 4.284 50 40 GIGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl 108076894 OEILHYBXLMKMAG-MUBJSKCLSA-N 389.839 4.118 50 40 GIGB CCCN(CCC)c1ccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1 4087745 GXGIXWXXVNQUQB-JJIBRWJFSA-N 397.519 4.023 50 40 GIGB Cc1cccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 408773916 TZXACPGHZYJQNL-WGOQTCKBSA-N 383.495 4.317 50 40 GIGB CC1CCN(c2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)NC2CCCCC2)CC1 409273698 LGSDRYOHFJCXMG-QGOAFFKASA-N 396.491 4.187 50 40 GIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)o1 408724998 IBDWAXOFCLQELL-MIOHHHEFSA-N 397.431 4.140 50 40 GIGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccc(C)cc3)o2)c1 408998751 SCBGFOKXXCSPGP-FSJBWODESA-N 396.830 4.459 50 40 GIGB Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)N/N=C/c2ccccc2O)cc1 1433946 DGBLRNCEEJVFCR-XDEFOSFOSA-N 384.479 4.465 50 40 GIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc2c1CCCC2 1453388 OFPDOYRIURNVCJ-JLHYYAGUSA-N 384.432 4.098 50 40 GIGB Cc1ccc(C(=O)OC[C@H]2O[C@@H](Cl)C[C@H]2OC(=O)c2ccc(C)cc2)cc1 4543926 FJHSYOMVMMNQJQ-GUDVDZBRSA-N 388.847 4.040 50 40 GIGB in-vitro COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 6841180 YTGCSAZXDBBNTL-PCLIKHOPSA-N 388.467 4.275 50 40 GIGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)CC(=O)N2)c1 9015483 OQFSKVRQMPPKCE-SFHVURJKSA-N 391.496 4.014 50 40 GIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@H]2C1 17118639 GFOGUBRWYBBOHI-PZPSRYQVSA-N 393.288 4.289 50 40 GIGB CCOc1cc(C(=O)NNc2cccc(Cl)c2)ccc1OCc1cccnc1 31915088 LCEHFBARIKFSNA-UHFFFAOYSA-N 397.862 4.470 50 40 GIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C)o2)c1C 408586515 CIWVELNYAMBMKQ-SSDVNMTOSA-N 385.851 4.421 50 40 GIGB Cc1c(/C=N/NC(=O)CCSc2ccccc2)c(Cl)nn1-c1ccccc1 408892240 HNGWTYWEVLFTGM-HYARGMPZSA-N 398.919 4.467 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 408899577 QOOWOMDGLZSYPL-MDWZMJQESA-N 375.306 4.468 50 40 GIGB C/C(=N/NC(=O)COc1cc(C)ccc1C)c1ccc(Br)s1 14010381 JLWZSGMWCOYZOG-PDGQHHTCSA-N 381.295 4.047 50 40 GIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C)c(C)c3)c2C)cc1 408592554 ZFMVZPHPPACKCJ-MFKUBSTISA-N 389.499 4.412 50 40 GIGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1 409000195 XOJRLAPTXJHRIL-SSDVNMTOSA-N 382.803 4.371 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(C(C)C)cc1 1080349 PXWLJKCDAOPFJT-RGVLZGJSSA-N 375.266 4.345 50 40 GIGB Cc1c(/C=N/NC(=O)c2ccncc2)c2ccccc2n1Cc1ccc(F)cc1 408586006 AGGWKUSWJFXCAV-VULFUBBASA-N 386.430 4.296 50 40 GIGB COc1ccccc1/C=N/NC(=O)CSc1cc(C)c2cccc(C)c2n1 871042 UZVNCUKTWWGXQW-WSDLNYQXSA-N 379.485 4.103 50 40 GIGB Cc1ccc(OCC(=O)NNC(=O)c2sc3cccc(C)c3c2Cl)cc1 12760004 LCCCKYMUERPUIH-UHFFFAOYSA-N 388.876 4.012 50 40 GIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1 660253 TXWHDGRSDJGTOY-LJQANCHMSA-N 392.846 4.061 50 40 GIGB COc1cc([C@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)cc(OC)c1OC 716758 PDKVWSUNRQULDX-FQEVSTJZSA-N 388.423 4.084 50 40 GIGB O=C(NNC(=O)c1ccc(-c2cccc(Cl)c2)o1)c1ccc(Cl)cc1 2418595 JEZFYOXVEKBQOI-UHFFFAOYSA-N 375.211 4.328 50 40 GIGB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N/N=C/c1cccc(F)c1 4699667 BMKDTSKPMLUKET-KOEQRZSOSA-N 389.430 4.421 50 40 GIGB O=C(NNc1ccc(Cl)c(Cl)c1)c1cccc(OC[C@@H]2CCCO2)c1 32903146 WDQRRAKJMHBWBU-HNNXBMFYSA-N 381.259 4.308 50 40 GIGB CCOc1cc(/C=N\NC(=O)c2ccc(N)cc2)ccc1OCc1ccccc1 33927703 SLPMPSSMHJPCDW-MYYYXRDXSA-N 389.455 4.010 50 40 GIGB C/C(=N\NC(=O)CCSc1ccccc1)c1cccc(Br)c1 59473207 BNNHRXHYYGQZHS-CPNJWEJPSA-N 377.307 4.472 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2ccccc2I)c(Cl)c1 408551965 PYTKQMBJMZYDQL-GIJQJNRQSA-N 398.631 4.017 50 40 GIGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)o2)cc1[N+](=O)[O-] 409383113 ZLXQKPSASCPBCB-YVLHZVERSA-N 390.399 4.259 50 40 GIGB O=C(CCn1c2ccccc2c2ccccc21)NNC(=S)NC1CCCCC1 4719721 QTMLCZPUEKLQRP-UHFFFAOYSA-N 394.544 4.013 50 40 GIGB CCCCC(=O)N/N=C(\C)CC(=O)Nc1ccc(COc2ccccc2)cc1 4894830 XVHDAIOWQNSDFU-JJIBRWJFSA-N 381.476 4.277 50 40 GIGB O=C(CNc1ccc(Cl)c(Cl)c1)N/N=C/c1c(O)ccc2ccccc12 2754256 VQRIAWVENAVULJ-AUEPDCJTSA-N 388.254 4.414 50 40 GIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 17146110 FRSOXPRKIDJSBB-DHDCSXOGSA-N 386.329 4.187 50 40 GIGB C/C(N)=C(\C#N)C(=O)CSc1nn(-c2ccc(C)c(Cl)c2)c(=S)s1 104875985 MECLQMQHHRZLEX-LUAWRHEFSA-N 396.950 4.043 50 40 GIGB Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cccc1[N+](=O)[O-] 28217481 UDQSAMJIGPJCSX-FSJBWODESA-N 394.406 4.214 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 4723195 QDNYEBCTJBVXHC-VBKFSLOCSA-N 388.379 4.199 50 40 GIGB Cc1ccc(COc2ccccc2[C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 409146310 SKPQSMCLSRHINI-HSZRJFAPSA-N 384.435 4.498 50 40 GIGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cc(-c2ccccc2)nc2ccccc12 38373004 WDYCWKQJFSVSHO-XKZIYDEJSA-N 386.367 4.167 50 40 GIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Cl)c2)cc1 408800893 QCANKHHWPMSYQY-MHWRWJLKSA-N 398.846 4.459 50 40 GIGB COc1ccc2c3c(/c(=N\NC(=O)c4ccc(Cl)cc4)oc2c1)CCCC3 32032398 WAXBVCMASXIHCW-DARPEHSRSA-N 382.847 4.219 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cccc2ccccc12 7159871 JJTZVWDDXKPGBQ-AMUNLKFJSA-N 399.494 4.450 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(Br)cc1 985155 LBCJFMSQWJNWPK-OAHLLOKOSA-N 393.244 4.057 50 40 GIGB Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)OC(C)(C)C)c1ccccc1 6130485 GDRIDZIFOIMHQN-FCDQGJHFSA-N 392.459 4.163 50 40 GIGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 59472226 KQWNTBBDRQFCJR-UFFVCSGVSA-N 378.259 4.206 50 40 GIGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2)ccc1OCc1ccccc1 408737379 NIMVPOZATYDGIS-PCLIKHOPSA-N 388.467 4.275 50 40 GIGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1cccs1 3416098 IMNYFYPONBWAFV-AWQFTUOYSA-N 393.299 4.372 50 40 GIGB O=C(CSCc1ccccc1Br)N/N=C/c1ccccc1Cl 20248286 QVQGRMPKAATYGH-DJKKODMXSA-N 397.725 4.486 50 40 GIGB C[C@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 4544389 DLFBJOSVLNPMMH-STPJHCLOSA-N 392.430 4.322 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)o1 409001234 VRQOQTLETSTPBO-DEDYPNTBSA-N 379.913 4.412 50 40 GIGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)o2)cc1[N+](=O)[O-] 409370360 POIKTJGEBPALAQ-GDNBJRDFSA-N 389.367 4.415 50 40 GIGB C[C@H](CCC(=O)NN)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 252430649 BXSPCFWJSALCFW-BQVFKHECSA-N 390.612 4.412 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1OC 28216787 FHWJVFPYVDFBOF-ZVHZXABRSA-N 391.471 4.184 50 40 GIGB CCOC(=O)CSC1=C(C#N)[C@H](CC(C)C)C(C(=O)c2ccccc2)=C(C)N1 2361986 VUFKSCUPROFHHT-KRWDZBQOSA-N 398.528 4.440 50 40 GIGB C/C(=N/NC(=O)c1c[nH]c2ccccc12)c1cccc(NC(=O)c2ccco2)c1 5019556 BIIXMOBCJPEAHH-QFEZKATASA-N 386.411 4.167 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1N1CCCC1 4688446 ZJFCIPBJGWGMHY-LPYMAVHISA-N 392.415 4.014 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 408892417 BCWNTYMPTXLWLW-IZZDOVSWSA-N 392.198 4.456 50 40 GIGB Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 408967346 PZXYLHLYZOTSOQ-VULFUBBASA-N 387.414 4.349 50 40 GIGB Cc1c(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc2n1Cc1ccccc1 5881652 YZZCWZZCJUPXOX-URBQWANRSA-N 399.494 4.200 50 40 GIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1092753 ULPYBZRSOGQUAD-WSDLNYQXSA-N 393.399 4.001 50 40 GIGB CCCCOc1ccc(C(=O)N/N=C/[C@@H](C)Cc2ccc3c(c2)OCO3)cc1 4651693 WEWCCFGLMNKOCV-YQCVNYCESA-N 382.460 4.189 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 409147400 XLOJYNRGQQYICP-DJKKODMXSA-N 382.203 4.064 50 40 GIGB CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OCC 409145484 IKSISTKLWHEZJV-SITPEIFSSA-N 386.517 4.423 50 40 GIGB CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCCC3)o2)cc1 409369174 GLFGEDSALIGNRO-XDJHFCHBSA-N 392.455 4.433 50 40 GIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 408526147 AJNUNWRQXJAVMS-FSJBWODESA-N 392.415 4.034 50 40 GIGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Nc2ccc(Cl)cc2)c1 5379993 MPOABWSGVCTOMY-UHFFFAOYSA-N 375.856 4.004 50 40 GIGB Cc1n[nH]c2c1[C@H](c1cc(COc3ccc(F)cc3)c(C)s1)C(C#N)=C(N)O2 5640678 WXRHHZDNVNPPSW-SFHVURJKSA-N 396.447 4.024 50 40 GIGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(Br)cc1 1081700 SQIOAPMICFFFFD-WSDLNYQXSA-N 382.261 4.165 50 40 GIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(OC)cc(OC)c1 8811031 URTYPDYUDQWTJI-OEAKJJBVSA-N 378.428 4.020 50 40 GIGB COc1cccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 17201700 GTYJYRCLWLYAFD-SSDVNMTOSA-N 394.258 4.137 50 40 GIGB CC[C@@H](C)n1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21 35107842 GKTOODBFEWEZKG-VUZLNAKASA-N 378.432 4.213 50 40 GIGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)[C@H](O)c1ccccc1 59417714 LGMYYAXHSYGGDS-JHXRPTDYSA-N 394.858 4.103 50 40 GIGB O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1ccc(Cl)cc1 83329108 XSQFUBXCMUQSDP-CNHKJKLMSA-N 388.048 4.225 50 40 GIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 408766979 UONQPEIZJPOHEE-WSDLNYQXSA-N 393.399 4.244 50 40 GIGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 59447270 BVYYSZLNYRMXEE-UDWIEESQSA-N 375.812 4.191 50 40 GIGB O=C(N/N=C/c1ccccc1F)c1ccc(CN2CCc3ccccc3C2)cc1 22022758 FTPLKBOCVBPRFI-CVKSISIWSA-N 387.458 4.148 50 40 GIGB O=C(CCCl)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 9062209 YXUYVPYXVZYWGW-UHFFFAOYSA-N 386.864 4.025 50 40 GIGB CC(C)(C)c1ccc(OCCOc2ccc(Cl)cc2/C=C(/C#N)C(N)=O)cc1 4551246 VZBVDIIJZBRURG-VBKFSLOCSA-N 398.890 4.488 50 40 GIGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCC#N 409024131 WYEHJVJLPSFJQR-FMCGGJTJSA-N 397.818 4.151 50 40 GIGB N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 409219483 QZOVLZHBLIDZRJ-WZUFQYTHSA-N 390.149 4.035 50 40 GIGB CCCCCC[C@H](CCl)OCCOCCOCCOCCOCCCC 5418407 XQWVKTMGOKTMND-HXUWFJFHSA-N 396.996 4.447 50 40 GIGB Nc1c(Cl)c(Cl)nc(C(=O)NN=C2C3CC4CC(C3)CC2C4)c1Cl 15354162 ZAOHIBWVLDJEQN-UHFFFAOYSA-N 387.698 4.166 50 40 GIGB N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(N)=O 3254496 UTVCKXYSWCMXHL-BKUYFWCQSA-N 384.435 4.237 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(O)c1 4044819 OEHKARFRWLWCQW-SRZZPIQSSA-N 380.275 4.309 50 40 GIGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccc(OC(F)(F)F)cc1 6720055 BGUHTFUNQWRQQW-HNNXBMFYSA-N 398.344 4.193 50 40 GIGB COc1ccc(-n2cccc2/C=N/NC(=O)c2ccccc2Br)cc1 408954646 UHHXOTGSHBDHKY-FYJGNVAPSA-N 398.260 4.012 50 40 GIGB COc1ccc2c(c1)NC(C(=O)CBr)=C[C@@H]2OCc1ccccc1 26896425 NQOVZLJTEIBPLY-IBGZPJMESA-N 388.261 4.227 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccccc1 408776608 WZEZECCWVSZXTF-MFOYZWKCSA-N 384.863 4.359 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1O 33740799 FXSWMPGJRZKGRY-IZZDOVSWSA-N 393.226 4.262 50 40 GIGB C/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 5003512 YQQYCKGWRWVDIJ-ALAMRGAJSA-N 399.450 4.441 50 40 GIGB Cc1ccccc1[C@@H]1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N 20237973 VEJUAMHKPPNSQO-IBGZPJMESA-N 375.497 4.210 50 40 GIGB COc1cc(Cl)cc(Cl)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 848239 XDCGWQJBZFXHGN-HNNXBMFYSA-N 393.270 4.453 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OCc1ccccc1 2744318 ROZVCOHSNDMBSQ-MFKUBSTISA-N 389.455 4.010 50 40 GIGB CCCCCOc1ccc(O[C@@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 3162129 VBDGWETXVLMLTA-KHCKMINHSA-N 397.519 4.239 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1Cl 6962531 XXKBYFWRJUFCIZ-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=S)Nc1ccccc1 32579242 VBLRYQBXZUPCBZ-MRXNPFEDSA-N 391.496 4.139 50 40 GIGB CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2)cc1 96663234 BCDUSZXOPGSMOI-FXBPSFAMSA-N 389.499 4.411 50 40 GIGB COc1cc(Cl)c(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC 100632918 OZFSGBSUQZYXSG-ACAGNQJTSA-N 392.846 4.366 50 40 GIGB CCOc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)c2ccccc12 408907965 CUFUPGWXRSHNRX-ZVHZXABRSA-N 376.456 4.384 50 40 GIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)ccc1Cl 409038520 VVHOJLDGXASGBV-YDZHTSKRSA-N 396.830 4.079 50 40 GIGB CCOc1ccc2c(c1)C(=NNC(=O)c1ccncc1)c1cc(OCC)ccc1-2 2359308 GTDVSULTIPQKCH-UHFFFAOYSA-N 387.439 4.042 50 40 GIGB CC(=O)Oc1cccc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2Cl)c1 4110148 JFWJZMNOEBJCDX-VIZOYTHASA-N 389.238 4.142 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 7009258 JQAJXLBGIMLGCI-SSDVNMTOSA-N 398.806 4.070 50 40 GIGB COc1cccc([C@@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)c1 20029497 DGDREDSFOWNCSO-SFHVURJKSA-N 383.517 4.043 50 40 GIGB aggregator N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NC[C@H]1CCCO1 26965446 SEWUIIVMKAAJCV-JEMSNHSXSA-N 391.254 4.456 50 40 GIGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccc(Cl)cc1 59303403 BHCDWXZEQSJVHS-VXLYETTFSA-N 396.672 4.060 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc2ccccc2o1 59303839 RECVGPKQSNKUKK-CIAFOILYSA-N 375.340 4.365 50 40 GIGB C[C@@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915640 BXSPCFWJSALCFW-IAHJDQBVSA-N 390.612 4.412 50 40 GIGB in-vitro Cc1c(-c2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)o2)cccc1[N+](=O)[O-] 408845682 YSPSRIPEIXHUDW-SFQUDFHCSA-N 387.395 4.387 50 40 GIGB O=C(N/N=C/c1ccc(Br)s1)c1cc2ccccc2cc1O 670333 WDOXBQJJEFYRQG-GIJQJNRQSA-N 375.247 4.133 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 1445507 VJMLTEDKQLPDIA-CIAFOILYSA-N 392.440 4.080 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 4544154 CPYQIGXLYBSIDQ-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)COc2ccc(C)cc2C(C)C)cc1OC 4863331 VBLOHKJZSCRZTG-XQNSMLJCSA-N 384.476 4.055 50 40 GIGB CCCC1=C(C(=O)OCC)[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O1 5614674 GBZMOFXBAJRWPJ-AWEZNQCLSA-N 381.259 4.418 50 40 GIGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1Cl 55071952 YVFUOFDSERSMKH-UHFFFAOYSA-N 376.287 4.375 50 40 GIGB COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)NCc3cccs3)c2c1 59534275 ZGXHWXXLAZMFEI-XNTDXEJSSA-N 378.453 4.142 50 40 GIGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(O)cc3)cc2C(C)=CC1(C)C 208515252 POZQFAMHNFVQDT-ZVHZXABRSA-N 377.488 4.486 50 40 GIGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(N2CCCC2)c(F)c1 409119108 RDNYFVXIQNEIOR-PCLIKHOPSA-N 375.447 4.272 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccc(Cl)cc1 409367498 BZAOSHAQIKBNLJ-UFFVCSGVSA-N 387.754 4.411 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 59444999 MDFCTXBLZHRYGM-AFUMVMLFSA-N 392.430 4.486 50 40 GIGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4661052 SOXADIPSOHYRLJ-UHFFFAOYSA-N 375.432 4.423 50 40 GIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1C 408599534 VVUNYDVMKLMHPR-LPYMAVHISA-N 376.416 4.075 50 40 GIGB O=C(COc1cccc(Cl)c1)N/N=C\C(Br)=C\c1ccccc1 30802351 JIOUODFBWGIQAE-YGPUYHGRSA-N 393.668 4.257 50 40 GIGB CC(=O)C1=C(C)NC(SCc2ccc(C#N)cc2)=C(C#N)[C@H]1c1ccco1 5266941 YVZWAUFVHUROOV-FQEVSTJZSA-N 375.453 4.370 50 40 GIGB Cc1ccc2c(c1NC(=O)/C(C#N)=C\c1ccccc1)C(=O)c1ccccc1C2=O 33498395 LHMABDFKPJSPNR-LGMDPLHJSA-N 392.414 4.316 50 40 GIGB O=C1CSc2ccc(C(=O)NN(c3ccccc3)c3ccccc3)cc2N1 36725109 UJSHGFUSMDYGDY-UHFFFAOYSA-N 375.453 4.214 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)NC1CCCC1 58536757 AFJKGOGTSHOVHU-XFXZXTDPSA-N 385.807 4.474 50 40 GIGB O=C(N/N=C\c1ccc(O)cc1O)c1cc(-c2ccccc2)nc2ccccc12 83330594 HUVLSHSUKBPEMM-OYKKKHCWSA-N 383.407 4.077 50 40 GIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nccc(C)n2)o1 409271575 KIAVNKUQDRFXGN-SDNWHVSQSA-N 392.440 4.084 50 40 GIGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccc(C(=O)O)c(O)c1 1705077 QDFPZDUYONDQDD-WSDLNYQXSA-N 395.286 4.433 50 40 GIGB CCOc1cc(/C=N/NC(C)=O)ccc1OCc1ccc(Cl)c(Cl)c1 58822940 PXRUSMWTVXHYFK-UFFVCSGVSA-N 381.259 4.441 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 59427231 ANHBJUZWMOLTKG-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB O=C(NNc1nc2ccccc2nc1C(F)(F)F)Nc1ccc(Cl)cc1 1381969 WJGFBDWIBYUNGE-UHFFFAOYSA-N 381.745 4.451 50 40 GIGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccccc3OCc3ccccc3)n2c1 59444032 DIYOAWOZTHSOIN-AFUMVMLFSA-N 398.466 4.294 50 40 GIGB CCOc1ccc(OCc2ccc(C(=O)N/N=C3/C[C@@H]4C=CC[C@H]34)cc2)cc1 38437085 JFJINYVVMDKCOK-UAQCDVOUSA-N 376.456 4.346 50 40 GIGB C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)Cc1ccc(Cl)cc1 5378758 QTHHODZBNYSFPQ-LFVJCYFKSA-N 385.895 4.329 50 40 GIGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409228401 YKIJPVSHZWYAFK-JZJYNLBNSA-N 385.467 4.142 50 40 GIGB Cc1ccc(NC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408963528 ZVQYSDCBAUDCQH-UUYOSTAYSA-N 377.400 4.417 50 40 GIGB O=C(N/N=C\c1ccc(O)cc1)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2 408728750 SROFJINAMLAVMD-MSXFZWOLSA-N 391.858 4.330 50 40 GIGB Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc(O)cc3)c3ccccc32)c1 408995812 NMSIDJIDZFJDDX-AFUMVMLFSA-N 383.451 4.468 50 40 GIGB Cc1cccc(COc2ccc(/C=N\NC(=O)COc3ccccc3C)cc2)c1 32114712 SPJLAZWBBBIGQI-MYYYXRDXSA-N 388.467 4.412 50 40 GIGB CCCN(CCC)c1ccc(/C=N\NC(=O)CNc2c(C)cccc2C)cc1 30738325 QJWHPUAVTKWAFY-XYGWBWBKSA-N 380.536 4.492 50 40 GIGB C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1cccc2ccccc12 5024698 CGHJJVUCWGYQPZ-BUVRLJJBSA-N 388.496 4.359 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(OC)cc1 6431617 ALKKDOSHPSPAIU-LFVJCYFKSA-N 376.456 4.330 50 40 GIGB CC[C@H](Br)C(=O)Nc1nc2c(Br)cc(F)cc2s1 20132313 ZJCWDXDZWGOQEV-LURJTMIESA-N 396.079 4.310 50 40 GIGB CC[C@@H](C)Oc1c(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cccc1OC 4525091 LIOBICBGSPMGKS-YHZJOHHESA-N 380.444 4.427 50 40 GIGB C/C(=N/NC(=O)COc1cccc(Cl)c1)c1cccc(Br)c1 4724120 DJHKJQKLVQXDGK-ODLFYWEKSA-N 381.657 4.022 50 40 GIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(OC)c2O)cc1 4813970 QGPSSGKQDOMOIA-MYSNOUKZSA-N 390.867 4.097 50 40 GIGB CC(C)(/C=N/NC(=O)CSCc1ccccc1Br)CCC#N 20248425 IGFCCKYTHPHWRH-XDHOZWIPSA-N 382.327 4.114 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)c1 408591267 SNBUUKSOIMKZHG-WSDLNYQXSA-N 382.803 4.151 50 40 GIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NC1CCCCC1 408808047 CWZBZKGXQWFETJ-RVDMUPIBSA-N 389.293 4.370 50 40 GIGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccccc1 408819574 XVCFGIJXYNDACX-OVGFGYAMSA-N 386.407 4.429 50 40 GIGB COc1ccc(CCCC(=O)N/N=C/c2ccc(Br)cc2)c(C)c1 408905484 AROXKADZBHWEIK-FYJGNVAPSA-N 389.293 4.239 50 40 GIGB O=P(C(=S)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@@H]12)(c1ccccc1)c1ccccc1 575628267 YSKJWRGCOCIJFA-CNPJFBIHSA-N 393.492 4.476 50 40 GIGB COc1cc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1O 1885755 VLKPSVNUTBMTJK-SRZZPIQSSA-N 397.258 4.017 50 40 GIGB C/C(=N/NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1 668617 OTDFCELACZUSHG-MYYYXRDXSA-N 375.403 4.232 50 40 GIGB CCOC(=O)c1c(/N=C\N(C)C)sc(C=C(C#N)C#N)c1-c1ccccc1 105903576 UPJRTSUZASJUSM-QRVIBDJDSA-N 378.457 4.244 50 40 GIGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1 408747497 OTPMUQRKTLQOGG-WQRHYEAKSA-N 386.407 4.177 50 40 GIGB Cc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1Br 408955211 OHALGIDBZIJTSU-NVMNQCDNSA-N 396.082 4.284 50 40 GIGB C=CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 408843986 AQGHXHLNCMDCGJ-IWIPYMOSSA-N 390.439 4.499 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)ccc1OC 408784451 SROZVPJDZDPBQN-JXAWBTAJSA-N 393.487 4.486 50 40 GIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1 408747900 VMTPSVKCRAENIZ-PDGQHHTCSA-N 386.407 4.177 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC#N 408797711 SQVZYYIDUGJZBQ-MHWRWJLKSA-N 395.846 4.495 50 40 GIGB N#C/C(=C/c1ccc(OCc2cccnc2)cc1)C(=O)c1ccc2c(c1)OCO2 48332436 NRKBWAKTVVDBEO-GRSHGNNSSA-N 384.391 4.179 50 40 GIGB COc1ccc(C(=O)NN=C(Cc2ccccc2)Cc2ccccc2)cc1OC 5753633 OTRYLVKAUKGEFS-UHFFFAOYSA-N 388.467 4.275 50 40 GIGB N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1ccc(F)cc1 2436514 UDLLOWOIKLDENZ-KRWDZBQOSA-N 383.423 4.184 50 40 GIGB COc1cccc(/C=N\NC(=O)c2cccnc2)c1OCc1ccc(Cl)cc1 409080736 NYMHSEADIOIYTO-CFRMEGHHSA-N 395.846 4.087 50 40 GIGB C/C(CC(=O)Nc1ccccc1)=N\NC(=O)CCSc1ccc(Cl)cc1 5205617 XGYPQKGJAKMRBK-HYARGMPZSA-N 389.908 4.343 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c(C)c1 20194389 DYEQWXLRHSDMBZ-YDZHTSKRSA-N 391.427 4.473 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1OCC 408916424 XJGPXUGMMIOKLS-LPYMAVHISA-N 390.867 4.057 50 40 GIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(Cl)cc1 409362309 IWGYMDQHOUNUFG-AFUMVMLFSA-N 391.858 4.067 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3[C@@H]4CCCC[C@@]43C)o2)cc1 408718889 SCKMAHLYTACQRU-WRMGGFKKSA-N 380.444 4.010 50 40 GIGB C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(O)cc1O 12578049 DYHVTXPNODOQTE-NHDPSOOVSA-N 397.258 4.104 50 40 GIGB Cc1c(-c2ccc(/C=C(/C#N)C(=O)N3CCCCCC3)o2)cccc1[N+](=O)[O-] 12655229 LNEDTOQMYDDHDK-SSZFMOIBSA-N 379.416 4.473 50 40 GIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] 209665169 COYFVWXCTZJRDR-RIYZIHGNSA-N 392.440 4.261 50 40 GIGB COc1cc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 6580479 XEHNYVHIBMLVFH-BUVRLJJBSA-N 390.439 4.143 50 40 GIGB CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1OC 1320068 LURITORNWARUQN-YQCVNYCESA-N 384.476 4.137 50 40 GIGB N#C/C(=C\c1ccc(Cl)s1)c1nc2ccc(Br)cc2c(=O)[nH]1 25582906 DTBXLCOMDDSNRB-VMPITWQZSA-N 392.665 4.465 50 40 GIGB O=C(NNc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)c(Cl)c1 59417531 VSUOLEOQPDUZHJ-UHFFFAOYSA-N 383.216 4.268 50 40 GIGB C/C(=N\OCC(=O)N/N=C/C1=C(c2ccccc2)[C@@H]2C=C[C@@H]1C2)c1ccccc1 100569986 HDIQGCXVCDDEIV-RWQPFPIOSA-N 385.467 4.189 50 40 GIGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccccc1Br 58915606 CPLOCTXJQNYJGT-DJKKODMXSA-N 397.725 4.486 50 40 GIGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1O 408847453 MUAXAUZDDZFOGP-NHDPSOOVSA-N 399.244 4.393 50 40 GIGB Cc1n[nH]c2c1[C@@H](c1cn(Cc3cccc(F)c3)c3ccccc13)C(C#N)=C(N)O2 818734 BDUIJJIJHKQEMF-OAQYLSRUSA-N 399.429 4.078 50 40 GIGB N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1309556 FWMMJYSIDUWJCX-UKTHLTGXSA-N 392.396 4.424 50 40 GIGB CC1=NN(c2ccccc2)[C@H]2OC(N)=C(C#N)[C@@H](c3ccc(C(F)(F)F)cc3)[C@H]12 5416516 NZXNSIKKFXMYFR-NSHGMRRFSA-N 398.388 4.351 50 40 GIGB C=CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OC)c(OCC)c1 6354985 JURUAPDGESUNCH-XKZIYDEJSA-N 388.851 4.076 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)cc1OC 6558509 CRWNGIWOKZFOCA-WSDLNYQXSA-N 384.819 4.381 50 40 GIGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccccc1 8535273 LBFDRAUGVFMWPK-DQPIFXJKSA-N 386.407 4.429 50 40 GIGB O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 12896415 YHYYRVOMWBVJPQ-NRFANRHFSA-N 394.471 4.049 50 40 GIGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1 20033321 NYWIUEKEBSDELG-IBGZPJMESA-N 386.455 4.392 50 40 GIGB COc1cccc(/C=N\NC(=O)c2cccc(NC(=O)c3ccccc3C)c2)c1 33296003 SYFQYHSWQXGZIM-IWIPYMOSSA-N 387.439 4.020 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3C)c2C)c1 58926884 HWQXOGUOMGDJNE-ZVHZXABRSA-N 375.472 4.240 50 40 GIGB CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O1 226760674 ZHQSJAJGEVWBME-SFHVURJKSA-N 395.256 4.414 50 40 GIGB N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1cccc(Cl)c1Cl 408921823 CGEMFQAQSWWOPK-KPKJPENVSA-N 391.210 4.002 50 40 GIGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C(\c1ccccc1)c1ccccn1 652399 FDFRPIQKFHQONO-WDGPBFJASA-N 393.874 4.380 50 40 GIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 910173 NVECTGOBUGKYEA-SRZZPIQSSA-N 389.839 4.075 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(F)F 3332922 UJWPUFDFUNETIH-KPKJPENVSA-N 378.762 4.496 50 40 GIGB CCCCC1CCC(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)CC1 4350470 VRGQXOIPQYJHCT-UHFFFAOYSA-N 388.533 4.146 50 40 GIGB Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C#N)ccc1Cl 5562768 QLSWTTDWVAKZSD-UHFFFAOYSA-N 376.803 4.188 50 40 GIGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OC(C)C)cc2OC(C)C)cc1 10475841 WPMMWMCJUHYECG-IWIPYMOSSA-N 398.503 4.353 50 40 GIGB COc1ccc(C(=O)Oc2c(Br)cc(C(=O)Cl)cc2OC)cc1 226306017 ALMWBWPIEQOPQK-UHFFFAOYSA-N 399.624 4.065 50 40 GIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc3ccccc3c2O)cc1 409101213 SCAQUYFDTDPGOK-ZVHZXABRSA-N 376.456 4.372 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1OCc1ccccc1C#N 409127376 CZQRNDRMGLWCLA-QHCPKHFHSA-N 395.418 4.061 50 40 GIGB C/C(=N\NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccncc1 8284368 QIWYOGFBPNSIRU-BUVRLJJBSA-N 379.847 4.468 50 40 GIGB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@H]12 4025844 ZAWRSOOFVJIHLN-IPLXSBJHSA-N 391.305 4.411 50 40 GIGB OC[C@@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104086737 QXBSUSIMWPQJKH-SANMLTNESA-N 384.459 4.446 50 40 GIGB CC(C)(C)C1CCC(=NNC(=O)C(=O)NN=C2CCC(C(C)(C)C)CC2)CC1 5383586 LIMMJZWUKXBUNV-UHFFFAOYSA-N 390.572 4.403 50 40 GIGB Cc1ccsc1/C=C(\C#N)C(=O)Nc1cccc(I)c1 408924218 MABGKSPOIAPYAE-YRNVUSSQSA-N 394.237 4.207 50 40 GIGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 9357302 XUPGOZWSGAMIRY-QGZVFWFLSA-N 392.846 4.347 50 40 GIGB N#C/C(=C/c1ccc(Br)o1)C(=O)Nc1ccc(Br)cc1 408743451 FXCPKJRLTXTCOA-CLFYSBASSA-N 396.038 4.350 50 40 GIGB CCOc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(OCC)c1 409229360 NXEXVVIKDYAOSG-HKWRFOASSA-N 378.472 4.140 50 40 GIGB COc1ccc2ccccc2c1/C=N\NC(=O)c1cc(Br)ccc1O 83319747 NZEYGZAVQLWQCG-NHDPSOOVSA-N 399.244 4.080 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccc(OC2CSC2)c1 832032 YTCVHOMXBXYUSS-AWQFTUOYSA-N 392.933 4.077 50 40 GIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)sc(C)c1C 2669858 DOEVYYOLMDHMQX-MDWZMJQESA-N 379.441 4.179 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCc1ccccc1 20786968 IFNCFSRXBDCYCI-HYARGMPZSA-N 398.462 4.498 50 40 GIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCCC)cc2)cc1OCC 409316176 LOIIJKHGRVAHPD-KQWNVCNZSA-N 382.460 4.203 50 40 GIGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccccc2OC(F)F)c1C 6561588 LUBWXTPLNVYJSK-NTEUORMPSA-N 388.370 4.200 50 40 GIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 408893445 GDJGELMDBZXJPC-WSDLNYQXSA-N 393.399 4.244 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccc(Cl)c(Cl)c1 409065962 JMAJIPNPHYIRQL-SSDVNMTOSA-N 380.250 4.497 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(F)cc2)cc1 408737428 QDZVJEAMXDIGDC-MFKUBSTISA-N 376.431 4.406 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 408569051 YMSCAMVRSKVFHL-LPYMAVHISA-N 377.400 4.164 50 40 GIGB Cc1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3[C@@H]4CCCC[C@]43C)o2)c([N+](=O)[O-])c1 408718840 NTEMEGVNJSGQST-IKQMHEQDSA-N 381.432 4.440 50 40 GIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 40865456 UTIJZUXAZDSUTE-FOWTUZBSSA-N 395.415 4.328 50 40 GIGB C=C(C)C(=O)OC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C 196092265 NYHMLROEJNBVEF-UHFFFAOYSA-N 394.765 4.138 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccc(OC)cc23)cc1 5720518 CETROEMEGCQIRW-FOWTUZBSSA-N 388.423 4.411 50 40 GIGB CCCn1c(C)c(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c2ccccc21 8811229 PLRYJVUGTSKQOE-OEAKJJBVSA-N 379.460 4.141 50 40 GIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 20197419 MOLUXEDZMQKXNJ-HYARGMPZSA-N 393.399 4.408 50 40 GIGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)CCc3ccccc3)c2C)c(C#N)c1C 14134456 LAMOYHXAWSIOMH-AFUMVMLFSA-N 388.471 4.259 50 40 GIGB CC(C)n1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 1459728 XXMIMCFQCREAPI-LICLKQGHSA-N 387.439 4.174 50 40 GIGB CCCOc1ccc(-c2n[nH]c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 5924066 YNNYIJTZHJLHMD-MRXNPFEDSA-N 392.484 4.454 50 40 GIGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)CC3CCCC3)cc2)cc1 6155700 UULLGMGNOFAQBS-UHFFFAOYSA-N 396.487 4.006 50 40 GIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC)cc1OC 6324448 CIFALAZYEGBIGX-XKZIYDEJSA-N 390.867 4.300 50 40 GIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)cc1C 409124969 CTSIHRMMQJKGBN-HNNXBMFYSA-N 397.525 4.076 50 40 GIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 2749322 QXVYXFAPIUQFAT-NYYWCZLTSA-N 391.210 4.276 50 40 GIGB O=C(Oc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1)c1ccccc1 33762120 UXYIINFUESWBMI-UCQKPKSFSA-N 378.815 4.323 50 40 GIGB Cc1cc(/C=N/NC(=O)CC(C)C)c(C)n1-c1ccc(Br)cc1 1091328 ZHLYNANOZQUZQQ-RGVLZGJSSA-N 376.298 4.353 50 40 GIGB CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(C)cc1C 20195016 MYWPNKPHCRDANM-CIAFOILYSA-N 389.293 4.157 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Br)c2)[C@H]2CCCC=C12 20058100 XRDKIBUWSWAVAW-DOTOQJQBSA-N 379.261 4.043 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c([N+](=O)[O-])cc1OC 44027057 JHBYWEVTIGLZEQ-LFYBBSHMSA-N 395.346 4.022 50 40 GIGB CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1 5321986 ZJAXVQKAHGRKLS-QFIPXVFZSA-N 399.498 4.245 50 40 GIGB N#C/C(=C/c1cc(Cl)cc(Br)c1O)C(=O)NCc1ccccc1 5900322 WDLAQAMKQZSIIV-MLPAPPSSSA-N 391.652 4.031 50 40 GIGB CC(C)COC(=O)N1CCC[C@H]1C(=O)NN(c1ccccc1)c1ccccc1 409001480 IQYADXAHSOIKOG-FQEVSTJZSA-N 381.476 4.113 50 40 GIGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(F)cc1 409347011 MZHXECYZLWBEPZ-DHRITJCHSA-N 379.435 4.328 50 40 GIGB COc1ccc(OC)c(NC(=O)c2cccc(N(CCCl)CCCl)c2)c1 1701563 CQHAKCUGSFFEFU-UHFFFAOYSA-N 397.302 4.240 50 40 GIGB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](Br)C(=O)[C@@]3(C)CC[C@@H]21 3882023 ZAWRSOOFVJIHLN-VBRUWADQSA-N 391.305 4.411 50 40 GIGB biogenic CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC#N)N1 4102593 AVTVGYRYHXSOLA-SFHVURJKSA-N 392.509 4.340 50 40 GIGB aggregator COc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4C)CC(=O)N3C2)cc1 4922622 HFXUOMNFBFOUSR-IBGZPJMESA-N 391.496 4.223 50 40 GIGB CCN1c2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2C(C)=CC1(C)C 208508188 GUTNNCVEDZNGIN-BUVRLJJBSA-N 377.488 4.481 50 40 GIGB CCOc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1 408711677 FKSBYYUFXZTKRM-UQQQWYQISA-N 388.467 4.357 50 40 GIGB O=C(/C=C/c1ccco1)Oc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 1436497 QBCASEZCRCYXED-OKTVNARPSA-N 394.814 4.316 50 40 GIGB CCCN(CCC)c1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1 30802357 ZUQMREBTOPIHKR-HAHDFKILSA-N 387.911 4.496 50 40 GIGB CCCCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccccc1 33642049 JSIQONUPBJJPHU-STZFKDTASA-N 389.293 4.321 50 40 GIGB CN(C(=O)CCl)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918390 IMPPITSCOUNNJN-MDUNAHHLSA-N 381.988 4.456 50 40 GIGB N#C/C(=C/c1ccc(N2CCCCC2)cc1F)C(=O)NCCCc1ccccc1 409231464 KMWMNEPKRADQTA-PGMHBOJBSA-N 391.490 4.472 50 40 GIGB COc1ccc2nc(/C(C#N)=C\c3cccn3-c3ccc(C(=O)O)cc3)[nH]c2c1 409393207 VPHOZVDNFXGGGD-PTNGSMBKSA-N 384.395 4.125 50 40 GIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2294926 KBABQVARBGBDFQ-NTCAYCPXSA-N 389.367 4.409 50 40 GIGB Cc1ccccc1[C@@H]1CC(=O)N2CN(c3ccc(F)cc3)CSC2=C1C#N 4922566 WBMCWSHZFXQISQ-SFHVURJKSA-N 379.460 4.354 50 40 GIGB Cc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)c(C)o1 6436578 JHFQQTIOYQXLAH-UHFFFAOYSA-N 398.846 4.204 50 40 GIGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1cc(Br)cs1 6813966 CDFIGXLYMUSUBW-ZDUSSCGKSA-N 399.273 4.119 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1O 59116721 FWDRZKPMOMQWKK-MDWZMJQESA-N 387.233 4.099 50 40 GIGB Cc1c(/C=N/NC(=O)c2cccnc2)c2ccccc2n1Cc1ccc(F)cc1 408591230 SEROVPXYLDHSQL-VULFUBBASA-N 386.430 4.296 50 40 GIGB Cc1cccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)c1 408765740 ZSRIAAAUAVEPKG-UVTDQMKNSA-N 388.208 4.145 50 40 GIGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1)C(=O)Nc1ccccc1F 408813110 OCTRXBGPCZXDRV-XFXZXTDPSA-N 393.330 4.245 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)NC1CCCC1 409192696 FJDXNXXMUIEWNW-UKTHLTGXSA-N 385.807 4.474 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC)c(OCC)c2)cc1 5907191 FWZIIMVHUSDBFE-LGMDPLHJSA-N 380.444 4.428 50 40 GIGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1 6746290 YFSJDDJHTJJSJK-SFHVURJKSA-N 391.496 4.223 50 40 GIGB COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2ccc(C)cc2)no1 7716921 QXTHKMSKOPJKNZ-CXUHLZMHSA-N 377.400 4.135 50 40 GIGB CCN(CC)c1ccc(/C=N\NC(=O)c2c(C)n(C)c3ccc(OC)cc23)cc1 33351071 SBFVCRKWNDYZNX-IWIPYMOSSA-N 392.503 4.105 50 40 GIGB COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1OC 408744487 YDUKKVBEIOTQKS-JYRVWZFOSA-N 387.233 4.012 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccccc1C#N 408771758 CMQXVFLBNZTPOS-XKZIYDEJSA-N 385.467 4.297 50 40 GIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Cl 408798265 VSNJKISPJHTABG-CXUHLZMHSA-N 398.846 4.054 50 40 GIGB COc1ccc(-n2cccc2/C=N\NC(=O)c2cccc(-n3cccc3)c2)cc1 408949294 AOHDBIFJFRMFJI-ULJHMMPZSA-N 384.439 4.041 50 40 GIGB C=CCn1cc(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc21 409359466 OIGHNGACTRRLAE-CIAFOILYSA-N 382.261 4.354 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(F)cc1 408779443 WWEAGLSLTAJLBX-WQRHYEAKSA-N 382.435 4.235 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(Cl)cc1Cl 96563330 OZPRTRMTJMOWQL-OAHLLOKOSA-N 397.217 4.134 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)c(OC)c1 19338230 PVXCPADGRDQHRH-BUVRLJJBSA-N 390.439 4.047 50 40 GIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1435439 QCNIIHNKVXPZNX-WSDLNYQXSA-N 393.399 4.001 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1cccc(Cl)c1Cl 20086683 MLDMRAWRIHEJBW-CQSZACIVSA-N 397.217 4.134 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1ccc(C(F)(F)F)cc1 719950 NMMOAJSIHRMESH-CYBMUJFWSA-N 388.374 4.375 50 40 GIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Cl 3176586 CHYBYQDPJPGKDC-QGZVFWFLSA-N 379.847 4.339 50 40 GIGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 6162447 INYDKJPXHDMHJX-INIZCTEOSA-N 378.457 4.145 50 40 GIGB N#C/C(=C/c1ccccc1)C(=O)n1nc2c3c(cccc31)C(=O)c1ccccc1-2 33682188 DCWZUEMNSCZFTD-SSZFMOIBSA-N 375.387 4.495 50 40 GIGB O=C(NNc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1C(=O)c1cccs1 40050971 BJMQUCVEJQBLET-CQSZACIVSA-N 398.315 4.193 50 40 GIGB COc1ccc(-c2ccc(/C=N\NC(=O)COc3ccccc3)o2)cc1Cl 57476934 MDIXWYLBMXSINB-UUYOSTAYSA-N 384.819 4.138 50 40 GIGB Cc1cc2c(cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CC(C)(C)N2C 208213956 OHNGWORCICIRBB-LUILSVGHSA-N 394.475 4.389 50 40 GIGB O=C(N/N=C/c1ccccc1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 755425 MMICWWCZPWBUOD-PCLIKHOPSA-N 394.434 4.280 50 40 GIGB CC(C)(C)C(=O)Nc1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1 24759671 IMOFPMWJNNPPLX-UHFFFAOYSA-N 379.382 4.447 50 40 GIGB CCC[C@@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 100057441 HEANBIJUBAQVND-FQEVSTJZSA-O 377.444 4.481 50 40 GIGB CC/C(=N\NC(=O)COc1ccccc1OC)c1ccc(Cl)c(Cl)c1 6541437 BBZGCWUZIIVUND-RCCKNPSSSA-N 381.259 4.311 50 40 GIGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1O 4699150 ODRADVJQCZIREL-NGYBGAFCSA-N 388.594 4.025 50 40 GIGB COc1ccccc1-c1cc(C(=O)N/N=C/c2c(Cl)cccc2Cl)[nH]n1 18148765 DWXINXAHYVELRQ-UFFVCSGVSA-N 389.242 4.156 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 408921745 BQVOHTASWKCNNB-JXMROGBWSA-N 392.198 4.456 50 40 GIGB COc1ccc(OC)c(/C=N/NC(=O)CSCc2ccc3ccccc3c2)c1 408727956 TVTKZVVAGJFGOD-YDZHTSKRSA-N 394.496 4.241 50 40 GIGB C/C(=N\OCC(=O)N/N=C/C1=C(c2ccccc2)[C@H]2C=C[C@@H]1C2)c1ccccc1 4902698 HDIQGCXVCDDEIV-ZJMFOPADSA-N 385.467 4.189 50 40 GIGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(Cl)cc1Cl 107545584 XTTOIOBLVOOYTN-AUEPDCJTSA-N 398.249 4.257 50 40 GIGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccc(C(=O)O)cc1 408544531 UOMVJMSBKAULDO-ZHZULCJRSA-N 398.418 4.466 50 40 GIGB CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 409020642 RLGGYPUXIUOLJW-DJKKODMXSA-N 381.657 4.152 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3Br)cc2c1 409187450 QMJYWGLFXOZTQP-JAIQZWGSSA-N 387.233 4.358 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc2ccccc2c1 15222129 WQVBTQSJFHKDKU-LYRGBEMXSA-N 399.494 4.450 50 40 GIGB N#CSCC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 226328046 WJHCVHSWIQUMHQ-UHFFFAOYSA-N 388.246 4.410 50 40 GIGB Cc1cccc2cc([C@@H]3CC(=O)N(c4ccccc4)C(N)=C3C#N)c(Cl)nc12 798821 AUNOXQHCTQRTMG-INIZCTEOSA-N 388.858 4.411 50 40 GIGB COc1ccc2c(=O)c3ccccc3oc2c1CN(CCCl)CCCl 5663322 MEQVVKTYZWRGBS-UHFFFAOYSA-N 380.271 4.234 50 40 GIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/C=C\c2ccccc2[N+](=O)[O-])cc1 19877980 PBTDRUOYHHEKFS-VQROCRMKSA-N 381.432 4.087 50 40 GIGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccccc2Cl)c1Cl 23242845 MITDGMJCQPGFEQ-PTXOJBNSSA-N 378.046 4.041 50 40 GIGB CC(C)CCC[C@@H](C)NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 26181631 UWAJCGJBCOFHSL-MRXNPFEDSA-N 387.480 4.017 50 40 GIGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1 408570424 UWUFNRUXXWZPBQ-DHDCSXOGSA-N 392.434 4.384 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1ccc(F)cc1 408783219 MMZYIIDPDCJTPF-ZVHZXABRSA-N 378.451 4.063 50 40 GIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cccs3)c2C)cc1 408786529 SBFOPSYRQPOMIR-XKZIYDEJSA-N 395.484 4.096 50 40 GIGB Cc1cc2nc(/C(C#N)=C\c3ccc(OCC(=O)O)c(Cl)c3)[nH]c2cc1C 408853921 ZXCQYJAZUDTAAP-AUWJEWJLSA-N 381.819 4.361 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCC 409074237 LCUXHAFTDQWISH-KGENOOAVSA-N 390.483 4.436 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1cccc(C(F)(F)F)c1 409103558 AGWLXRZWCPPJSA-WYMPLXKRSA-N 379.357 4.209 50 40 GIGB Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2)cc1 409126646 MBFWTFKVFNDYBE-JOCHJYFZSA-N 386.451 4.389 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1 4675690 LYEIGWUIUTXPMG-NTUHNPAUSA-N 375.306 4.468 50 40 GIGB COc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-] 15434702 AGALPSXUBCCPCT-UHFFFAOYSA-N 390.610 4.321 50 40 GIGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccccc1O 409122233 ZGOQASPMGHRZHH-BKUYFWCQSA-N 393.424 4.216 50 40 GIGB Cc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c(C)n1C 408776103 LSDVHRHOSBGVOO-IFRROFPPSA-N 388.682 4.131 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 28216782 WDTMXVRAXNBPCM-ZVHZXABRSA-N 375.472 4.483 50 40 GIGB Cc1cc(-c2n[nH]c3c2[C@H](c2cc(F)ccc2F)C(C#N)=C(N)O3)c(C)s1 5130036 DSSOJESHWBYVSB-OAHLLOKOSA-N 384.411 4.251 50 40 GIGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 11287691 OYDLEZZSEQUOTL-STWLCTNKSA-N 378.428 4.247 50 40 GIGB CC[C@H](C)c1ccc(OCCCOc2ccc(/C=N/NC(N)=O)cc2OC)cc1 4676069 AQEPBYFKKSLSAO-WTJYETQFSA-N 399.491 4.059 50 40 GIGB COc1ccc([C@@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1 20348364 LKJFPLOIFSLIFL-SFHVURJKSA-N 383.517 4.043 50 40 GIGB aggregator COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c1 59435290 PNUQSWSAXDHVMD-ZVHZXABRSA-N 378.403 4.177 50 40 GIGB FCCOc1c(Br)cc(CBr)cc1Br 236124028 FJAPQOHJRILSJP-UHFFFAOYSA-N 390.872 4.455 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)o1 408798862 XIDCEOIKVVPYDU-GXDHUFHOSA-N 389.367 4.415 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccccc1Cl 3257136 NGEIRWDCNTVZEA-LDADJPATSA-N 396.874 4.457 50 40 GIGB CCOP(=O)(OCC)C(C)(C)C/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1 5334427 QOZDQDMPDOKACA-QGOAFFKASA-N 399.384 4.135 50 40 GIGB O=C(N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1cccnc1Cl 9582271 NKXTYIDQQQRINM-BHGWPJFGSA-N 392.768 4.308 50 40 GIGB Cc1ccc(Sc2ccc(/C=N\NC(=O)c3cccnc3)cc2[N+](=O)[O-])cc1 30966615 GGGIRMYGRCNSKZ-UUYOSTAYSA-N 392.440 4.213 50 40 GIGB COc1cccc2cc(C(=O)N/N=C/c3cc(F)c(N4CCCC4)cc3C)oc12 33767873 ZFLHWZLUADKUAY-ZMOGYAJESA-N 395.434 4.253 50 40 GIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3OC)o2)cc1 409149873 TXMWLQUKLPNSTG-YDZHTSKRSA-N 398.846 4.310 50 40 GIGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCc1ccco1 2768427 CFIBDZUWKDEQLU-RGEXLXHISA-N 394.434 4.356 50 40 GIGB C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)Cc1ccc(Cl)cc1 5342629 RNMNXQLYCWBXBY-YDZHTSKRSA-N 392.286 4.365 50 40 GIGB C/C(=N\NC(=O)CSCc1ccccc1)c1cccc(Br)c1 20249065 SDAAXKPXYCTXLN-CPNJWEJPSA-N 377.307 4.223 50 40 GIGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccs2)o1 52410616 JHGJWTGZCMSIEE-CIAFOILYSA-N 376.441 4.266 50 40 GIGB O=C(CSc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 59159894 LIGFVNNJWIDRDE-UDWIEESQSA-N 381.413 4.097 50 40 GIGB N#CC1=C(N)Oc2ccc3cc(Br)ccc3c2[C@H]1c1ccncc1 63111080 PZYQEQYWABXQHZ-KRWDZBQOSA-N 378.229 4.215 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC 408795420 LSTGQTHHWXGUNG-NTEUORMPSA-N 386.835 4.389 50 40 GIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1cccc(Cl)c1 408873844 XJYKRDIPYRNKOL-MKMNVTDBSA-N 391.254 4.363 50 40 GIGB CCOC(=O)/C(C#N)=C\C1=C/C(=C/C=C2\Sc3ccccc3N2CC)COC1 685944286 BEXCZOYQHITXJI-HXJDBLRYSA-N 394.496 4.356 50 40 GIGB NNC(=O)Cc1c(Sc2ccccc2)c2ccccc2n1Cc1ccccc1 2352911 NVWLRLQVVCZODK-UHFFFAOYSA-N 387.508 4.373 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1 3184494 HYVATFBPUWINGB-BUVRLJJBSA-N 381.520 4.494 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc(Cl)cc(Cl)c2O)[C@@H]2CCCC=C12 33371103 QYBDWRGNKJKQKH-WBMJQRKESA-N 385.254 4.293 50 40 GIGB N#C/C(=C\c1cccc(OCC(=O)O)c1)c1ncc(C(F)(F)F)cc1Cl 98055930 CXSRYFJAGCIJER-NYYWCZLTSA-N 382.725 4.281 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1OC 408720074 RNFJIAKTFZDHGB-CAUNFOBBSA-N 384.501 4.032 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCc1ccccc1C#N 408743346 VSCVKIGAJZMXNV-CVKSISIWSA-N 399.450 4.218 50 40 GIGB C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1cccs1 5494657 ZJADRFZSGIYYLQ-JJIBRWJFSA-N 389.524 4.460 50 40 GIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)cc3)CC(=O)N2)cc1 9110862 WLXKPTKFXPSMDW-GOSISDBHSA-N 391.496 4.014 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(=O)Nc1cccc(C(=O)O)c1 408540641 AQGBQXAIIOVLJF-BOPFTXTBSA-N 383.363 4.062 50 40 GIGB COc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(F)cc2)C3)cc1 408728655 QSRUCNYEKBCZEF-MXAYSNPKSA-N 389.430 4.118 50 40 GIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Cl 408805071 DBCFBBCXJBBOHY-RIYZIHGNSA-N 386.835 4.220 50 40 GIGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2ccccc2)c1C 409002619 VSYICVOOEDLSPY-XKZIYDEJSA-N 376.416 4.075 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 409005642 FZFPGIMULLVKBH-HMAPJEAMSA-N 377.400 4.301 50 40 GIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1 5559060 HONCAPPOTPXUCF-LFIBNONCSA-N 388.379 4.199 50 40 GIGB CC1(C)[C@@H]2CC=C(/C=N/NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)[C@H]1C2 7738125 BKZJZFZLJPSXNW-BQHZPKGLSA-N 390.409 4.150 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(C)=O 17078618 ZDQUXEBXSHNVDZ-XNTDXEJSSA-N 384.819 4.210 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Br)c2)[C@@H]2CCCC=C12 20058101 XRDKIBUWSWAVAW-NVXWUHKLSA-N 379.261 4.043 50 40 GIGB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(SC#N)cc1[N+](=O)[O-] 100958953 PIPHVPBYGKNSEY-DHDCSXOGSA-N 397.391 4.026 50 40 GIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)c1 107567989 DOHFNHAEELTUQJ-ZVHZXABRSA-N 389.455 4.349 50 40 GIGB C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1O 408965975 YFGRGKVLDYQDSG-WYMPLXKRSA-N 392.377 4.302 50 40 GIGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 4814075 ROAJDYAQCZUQDZ-OEAKJJBVSA-N 378.815 4.323 50 40 GIGB C/C(=N\NC(=O)NC1CCCCC1)c1ccc(OC(F)F)cc1OC(F)F 5832538 VKQBXLRQEXBYNZ-AUEPDCJTSA-N 391.365 4.245 50 40 GIGB COc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1OC 33564009 QLNYLJBEECAJEW-IWIPYMOSSA-N 390.439 4.047 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)cc(OC)c1OC 40139888 BFEWVXWFFPENLJ-OVCLIPMQSA-N 376.412 4.292 50 40 GIGB CCOc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OCC 100386779 YVIBFCXYGZCNCL-SXGWCWSVSA-N 386.455 4.493 50 40 GIGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccccc1 408740914 DZKYKNKDDINOEB-SDQBBNPISA-N 391.210 4.002 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@@H]2C[C@@H](c3ccccc3)CC=C12 4333808 BFDLPNAMAQGGCB-WEYGHZABSA-N 377.451 4.069 50 40 GIGB COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCc1cccc2ccccc12 58822955 SPHSXEVGAXUIRW-FOKLQQMPSA-N 383.835 4.083 50 40 GIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 20197415 LOQVZJPRBFHCRZ-HYARGMPZSA-N 393.399 4.408 50 40 GIGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1)[C@H](Br)C2=O 5398003 VAFQPVNXJQZERO-JLZZUVOBSA-N 384.701 4.437 50 40 GIGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1O 6862957 IMBLZLCPOFFLSS-BJMVGYQFSA-N 378.171 4.153 50 40 GIGB COc1cc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)ccc1O 15934409 KGHKSDNFYFJSDH-AFUMVMLFSA-N 399.450 4.168 50 40 GIGB COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)C12CC3CC(CC(C3)C1)C2 5744898 FSVOSTSNPOSXFQ-MFKUBSTISA-N 397.519 4.041 50 40 GIGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(Br)cc1 903677 NOLUFFXDZWNWRF-DJKKODMXSA-N 397.725 4.486 50 40 GIGB Cc1cc2ccccn2c1C(=O)NP(=O)(N1CCCCC1)N1CCCCC1 102138247 QOCPNGORKAYCRD-UHFFFAOYSA-N 388.452 4.057 50 40 GIGB CCOc1ccc2c(c1)C(=NNC(=O)c1ccccn1)c1cc(OCC)ccc1-2 2328113 LOSVEDWYQDCFQS-UHFFFAOYSA-N 387.439 4.042 50 40 GIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CSc1nc2ccccc2s1 6825055 LAZFUPXPERVPST-KEBDBYFISA-N 380.498 4.328 50 40 GIGB Cc1cccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2)c1 409130715 UJCXZKIKEOVMHJ-HSZRJFAPSA-N 384.435 4.498 50 40 GIGB COc1ccc(NC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408963231 YDPOGCZNJLEFMT-UUYOSTAYSA-N 393.399 4.117 50 40 GIGB Cc1cc2c(cc1/C=C(/C#N)C(=O)N1CCOCC1)[C@H](C)CC(C)(C)N2C(C)C 223597367 XWXSKHBHTHZHKN-BDBXIWDTSA-N 395.547 4.261 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C)cc3)o2)cc1 5797045 FTLFVLHWJGQAFB-OEAKJJBVSA-N 376.412 4.196 50 40 GIGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(Br)cc1 12403582 LSYCBEWOPLZXJK-CIAFOILYSA-N 383.245 4.462 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1 169605867 LIKCMJRRUGXYOJ-WSDLNYQXSA-N 384.819 4.285 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(OC)c1OC 6410861 RMLANIWRDVBKFB-GZTJUZNOSA-N 388.423 4.411 50 40 GIGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 803797 GNJHBDWMPVWHFO-GOSISDBHSA-N 392.459 4.368 50 40 GIGB N#CC1=C(N)Oc2c(c(=O)n(-c3ccccc3)c3ccccc23)[C@H]1c1ccccc1 1428548 SLCLGVJDURPQHT-NRFANRHFSA-N 391.430 4.209 50 40 GIGB O=C(Nc1ccc(N(CCCl)CCCl)cc1)Oc1ccc(C(=O)O)cc1 1762992 RWZZWCAYIBQMHS-UHFFFAOYSA-N 397.258 4.280 50 40 GIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(Br)ccc2O)cc1 408569040 YIBKIGISGBMNBF-CIAFOILYSA-N 389.293 4.145 50 40 GIGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OC 408786568 KWERQQNPMJDHGK-LGMDPLHJSA-N 379.460 4.096 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(N(C)C)c1 409014999 REPAGJIGUDHGEL-LFVJCYFKSA-N 375.472 4.459 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c(O)c1 409393061 UVGULPOARHMZLG-FSJBWODESA-N 397.862 4.226 50 40 GIGB COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1cc(Cl)ccc1Cl 100289132 HTFQHWZQINANKY-SSDVNMTOSA-N 394.258 4.137 50 40 GIGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccncc1)C(=O)NC1CCCCC1 6890416 HXEVUQBCDARRSH-CYVLTUHYSA-N 397.482 4.290 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cccc(Oc3nc(Cl)ncc3F)c2)cc1 409062781 ARPNPYCJDDZVHG-AUEPDCJTSA-N 384.798 4.134 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1cccc(Br)c1 408786522 RYCKTICRDSRIKY-SXGWCWSVSA-N 386.293 4.288 50 40 GIGB O=c1[nH]c(C(Cl)Cl)nc2sc3c(c12)CCN(Cc1ccccc1)C3 38154180 DUKANYHAEIZUED-UHFFFAOYSA-N 380.300 4.019 50 40 GIGB aggregator COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 33738196 YBGIXDRUQFWICD-BUVRLJJBSA-N 390.439 4.047 50 40 GIGB COc1cccc(-c2n[nH]c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)c1 5192862 MMPZDCADWANYLC-FQEVSTJZSA-N 394.434 4.457 50 40 GIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1)c1ccc(Cl)cc1 5771549 CMGJXUXGYIMPFX-ZMOGYAJESA-N 395.821 4.495 50 40 GIGB N#CC1=C(SCCOc2ccccc2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 6496004 COZIVZNOLJEPRD-QGZVFWFLSA-N 384.888 4.491 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1cccc(C)c1 6945648 GUHIIKBQVMHDTH-XDHOZWIPSA-N 376.456 4.158 50 40 GIGB COc1cc(Br)c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 107806767 YYISGWNNWLZCDS-MLPAPPSSSA-N 389.205 4.439 50 40 GIGB Cc1cc(C)c(C#N)c(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)n1 5448122 SQYRVSIMPRPGEA-RGEXLXHISA-N 378.482 4.184 50 40 GIGB Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cccc1[N+](=O)[O-] 28217453 UKONPEYCKVFHEZ-LPYMAVHISA-N 376.416 4.075 50 40 GIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br 408742732 BXESDJPYNUEIPD-WJDWOHSUSA-N 395.256 4.315 50 40 GIGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 408999004 JSVSWRIXHVOKPB-SFQUDFHCSA-N 378.432 4.295 50 40 GIGB Cc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)cn1 30803122 PFOUFSOTZYQLNJ-MSXFZWOLSA-N 379.847 4.386 50 40 GIGB C/C(Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)=C(/C#N)C(N)=O 100095098 UHBWIXXIWVNCOB-UKTHLTGXSA-N 396.756 4.241 50 40 GIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)cc(OC)c1OC 716757 PDKVWSUNRQULDX-HXUWFJFHSA-N 388.423 4.084 50 40 GIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 20197421 WGEFQLAANFHNGU-OEAKJJBVSA-N 392.411 4.198 50 40 GIGB CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2C1 4923176 HRUSCGBIMOIUHC-GOSISDBHSA-N 375.497 4.468 50 40 GIGB COc1ccc(/C(C)=N\NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 4981293 UUCKEWFAKCXVHO-UQQQWYQISA-N 389.499 4.459 50 40 GIGB COCCNC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1 408820033 ZXJHBARYDWQYDA-RCCKNPSSSA-N 386.451 4.088 50 40 GIGB N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408927168 ZUTHGRWHKVDNHS-WUXMJOGZSA-N 391.210 4.002 50 40 GIGB CCOC(=O)Cn1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c2ccccc21 33710715 KNFSQGYBOTYJMV-WJDWOHSUSA-N 384.439 4.453 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OC(C)C)cc1 98067987 OMGGUEJVMBBZBY-LGMDPLHJSA-N 380.444 4.427 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 8043635 ZWABORXKCSLONI-FOKLQQMPSA-N 375.350 4.470 50 40 GIGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccccc1 1100971 NCQHLSVAXZJBIE-CVKSISIWSA-N 398.466 4.171 50 40 GIGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 13477112 DHHDEFAQZILIGF-XDHOZWIPSA-N 377.853 4.022 50 40 GIGB Cc1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3[C@@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1 16292228 OYBRLNLLOLUPME-FUHIMQAGSA-N 398.388 4.184 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(C(F)(F)F)c2)cc1 16440081 STTSXLFXADCCAI-XNTDXEJSSA-N 388.345 4.428 50 40 GIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)s1 664241 GUPQZTILNQCEQJ-OAHLLOKOSA-N 386.860 4.184 50 40 GIGB COc1cccc(-c2[nH]nc3c2[C@H](c2ccc4ccccc4c2)C(C#N)=C(N)O3)c1 5178895 BGFHKERNINXWBE-HXUWFJFHSA-N 394.434 4.457 50 40 GIGB N#Cc1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 5893844 CADFITQCZSEECI-WSDLNYQXSA-N 376.243 4.174 50 40 GIGB C=CCSC1=C(C#N)C2(CCCCC2)C(C(=O)Nc2ccccc2)=C(N)N1 102413900 GLWZHDLUQJNJCB-UHFFFAOYSA-N 380.517 4.003 50 40 GIGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c2ccccc12 670325 IXLSZGSZTQLVSF-CIAFOILYSA-N 383.245 4.375 50 40 GIGB O=C(N/N=C/c1ccco1)c1ccc(Br)cc1OCc1ccccc1 1073979 DWTVBBPKNSKMSZ-CIAFOILYSA-N 399.244 4.385 50 40 GIGB COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccccc1C(F)(F)F 1426967 BVFKYZQRWSSXAR-ZDUSSCGKSA-N 394.374 4.080 50 40 GIGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 6269394 XRZSQUADLSTPCS-SRZZPIQSSA-N 384.233 4.055 50 40 GIGB N#CC1=C(SCc2ccccc2)NC(=O)[C@@H](C#N)[C@@H]1c1ccccc1Cl 9110638 HXZYZFWYIHGJJH-YJBOKZPZSA-N 379.872 4.362 50 40 GIGB C/C(CC(=O)Nc1ccc(F)cc1F)=N\NC(=O)c1cccc2ccccc12 100038896 UXRBBENPHKRGFU-DHRITJCHSA-N 381.382 4.253 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1O 408754776 ROGGCBSIVOBOTR-WZUFQYTHSA-N 393.226 4.262 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccncc2)cc(C)c1OCc1ccc(F)cc1 408857415 NZLYWOIEDMKHME-DHRITJCHSA-N 377.419 4.180 50 40 GIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccccc2Cl)o1 408959668 CVIUTYXANYBYAL-SSDVNMTOSA-N 382.803 4.371 50 40 GIGB C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 409045067 YAPAHDHOAQRFGK-MDWZMJQESA-N 387.222 4.257 50 40 GIGB CC/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 409140494 FOWUFLPNNMSYNB-CYNURGJPSA-N 386.517 4.423 50 40 GIGB Cc1ccc(OCCSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)cc1 6477136 QZFDIDCQPMHLHS-SFHVURJKSA-N 382.460 4.285 50 40 GIGB Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 408692245 IIYURGGATKUIEH-BRJLIKDPSA-N 398.869 4.449 50 40 GIGB Cc1ccc(C(=O)NNC(=O)Cn2c(-c3ccc(C)cc3)csc2=S)cc1 7007229 MSNOEUVRHAMKRC-UHFFFAOYSA-N 397.525 4.024 50 40 GIGB C[Si](C)(C)O[Si](C)(CCl)O[Si](C)(CCl)O[Si](C)(C)C 196435040 BDWODYLFPWOQIW-UHFFFAOYSA-N 379.581 4.406 50 40 GIGB COc1ccc(CC(=O)N/N=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1 208224552 QXSVRKNZSMWODQ-WZJLVRHISA-N 393.531 4.418 50 40 GIGB O=C(CSCc1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1 1434896 KKMBJEQWRSLBMG-DJKKODMXSA-N 397.725 4.486 50 40 GIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 4132441 RPVGTNPVURATLU-KEBDBYFISA-N 375.812 4.015 50 40 GIGB O=C(N/N=C\c1cc(Br)cc(Cl)c1O)c1ccc(Cl)cc1 4775423 CZXVOYGIVBGZSE-WSVATBPTSA-N 388.048 4.225 50 40 GIGB COc1ccc(SCC(=O)N/N=C\c2cccn2-c2ccc(Cl)cc2)cc1 33334268 IWWCNXUGBCPWAO-XKZIYDEJSA-N 399.903 4.382 50 40 GIGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1O 33825310 UVIDHLDXMSQLGJ-XGICHPGQSA-N 375.178 4.136 50 40 GIGB CN(C)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C1S(=O)(=O)c1ccccc1 195842000 UNGGPAGSTQGZOJ-RDJZCZTQSA-N 381.614 4.069 50 40 GIGB CC[C@H](C)Oc1ccccc1/C=N\NC(=O)c1cc(Br)ccc1O 408600238 APOGBQVFRQQOGT-OEKFUPINSA-N 391.265 4.096 50 40 GIGB Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)o1 409089228 YXXBVKUNLPDNDN-FOKLQQMPSA-N 396.830 4.330 50 40 GIGB N#C/C(=C/c1cc(Br)cs1)C(=O)NCCCc1ccccc1 409224656 INOGGMUGEUAATH-ZROIWOOFSA-N 375.291 4.167 50 40 GIGB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C\c2ccccc2O)c1 54956545 SEDNXUZFVGEVSJ-PPEIKGMUSA-N 384.479 4.465 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)NCc1ccccc1 18173364 KUEXFSGAJFKWMP-OEAKJJBVSA-N 393.446 4.361 50 40 GIGB Cc1c(/C=N/NC(=O)CSCc2ccccc2)c(Cl)nn1-c1ccccc1 408894985 SQDZNZASQXYYTP-WSDLNYQXSA-N 398.919 4.218 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C)c1 408592445 YFLOPXVKTJUCMN-OEAKJJBVSA-N 390.443 4.004 50 40 GIGB O=C(N/N=C(/c1ccccc1)c1ccncc1)c1cccc(Br)c1 793680 VJOYLRYSJGPHLL-PYCFMQQDSA-N 380.245 4.027 50 40 GIGB COc1cc(/C=N/c2ccc(C(=O)O)cc2)ccc1N(CCCl)CCCl 1609733 FSLMPVHYVIWKQX-LPYMAVHISA-N 395.286 4.428 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Cl)c2)cc1 2797267 WFSQEVAQQAGFCF-XNTDXEJSSA-N 384.819 4.071 50 40 GIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(Br)c1 4499576 WZIZPXMANFJIRH-UFFVCSGVSA-N 385.183 4.161 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(O)c(Br)c1 6381171 KBFSLMSOPGGBPX-SRZZPIQSSA-N 399.244 4.080 50 40 GIGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 11287699 OYDLEZZSEQUOTL-YBXAONHESA-N 378.428 4.247 50 40 GIGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)NCCN1CCCCC1 13809909 RXJOSSMYEXSJLM-VKAVYKQESA-N 383.879 4.109 50 40 GIGB COC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 106431628 NESMDKFCXPKLCY-UHFFFAOYSA-N 377.444 4.324 50 40 GIGB CO[C@@H](C(=O)N/N=C/c1cc2cc(Cl)ccc2nc1Cl)c1ccccc1 408729460 ZYABIXMVTMDQSB-ZTBJCTOSSA-N 388.254 4.379 50 40 GIGB CCOC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 408857564 KUXATJJYLBXFNV-YBEGLDIGSA-N 379.485 4.376 50 40 GIGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 409014250 WTPXWKFDFIBCGY-CIAFOILYSA-N 382.807 4.111 50 40 GIGB CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1cccc2ccccc12 409107844 RHDPCBOGMLJZHE-QRVIBDJDSA-N 382.847 4.421 50 40 GIGB CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409246691 AKMAHYGYPDAOFL-UZYVYHOESA-N 398.510 4.199 50 40 GIGB Cc1onc(-c2c(Cl)cccc2Cl)c1COC(=O)CBr 2581869 QRBICKMAVVVVLT-UHFFFAOYSA-N 379.037 4.395 50 40 GIGB O=C(N/N=C/c1cc(Br)cs1)c1cccc(C(F)(F)F)c1 4544622 IRQQKFNMNDTBFA-NGYBGAFCSA-N 377.185 4.293 50 40 GIGB COc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1O 4871671 QUBAVUJRGBNQMB-MKMNVTDBSA-N 378.409 4.317 50 40 GIGB Cc1cc(C)c2c(c1)/C(=N\NC(=O)c1sc(-c3ccccc3)cc1N)C(O)=N2 5937506 VYKAHWYZUKDVPB-UHFFFAOYSA-N 390.468 4.350 50 40 GIGB O=C(N/N=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1 408600977 HZBDVPTVFXYIRE-FBHDLOMBSA-N 387.754 4.411 50 40 GIGB COc1cc(Cl)c(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC 19824604 OZFSGBSUQZYXSG-WLRTZDKTSA-N 392.846 4.366 50 40 GIGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 9324527 GSBPKRIYHLLNDG-MFKUBSTISA-N 398.418 4.491 50 40 GIGB CN1/C(=C(/C#N)C(=O)COC(=O)c2cc3ccccc3o2)Sc2ccccc21 12567671 FLQBLSKTBDVQQG-XSFVSMFZSA-N 390.420 4.136 50 40 GIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(N2CCCC2)c(F)c1 100326431 CIQZCHZIDYTTSB-SXGWCWSVSA-N 385.446 4.434 50 40 GIGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)NC[C@@H]1CCCO1 26967451 ATPIZVUVSKULQU-QXSWTLKVSA-N 390.361 4.168 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Cl)cc1OC 408799494 ZOYXKHKJOFWLHG-NTEUORMPSA-N 386.835 4.302 50 40 GIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(Br)cc1 20248494 ZJTKRBINCWFGRG-KZKLBEMASA-N 377.307 4.470 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1 408998314 PXEUDWIXSNKHGD-RDVKDWBRSA-N 399.450 4.111 50 40 GIGB CC(C)COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1Br 408603434 QTWDFXJIQVPJBS-CIAFOILYSA-N 389.293 4.177 50 40 GIGB Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)cc1 15012588 LNIJCRQRWNRDDS-VLOXRPPESA-N 399.494 4.200 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)[C@H]3[C@H]4CCCC[C@@]34C)o2)c([N+](=O)[O-])c1 4524186 IIXBOOKEPNZPRD-XUTHAMCFSA-N 397.431 4.140 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccco2)sc2c1CC[C@@H](C)C2 2708546 BZMYNBNRCXEHDU-GMCKNXKJSA-N 384.457 4.188 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccco2)sc2c1CC[C@H](C)C2 2708544 BZMYNBNRCXEHDU-CVCOIXHCSA-N 384.457 4.188 50 40 GIGB CC[C@@H](Br)C(=O)Nc1nc2ccc(Br)cc2s1 20132268 LCCHAKXZBPYTFN-SSDOTTSWSA-N 378.089 4.171 50 40 GIGB CCOC1=C(C#N)[C@H](c2cccc(Cl)c2)C(C(=O)c2ccccc2)=C(N)O1 1073662 ZCXQEKIVFXSJSK-KRWDZBQOSA-N 380.831 4.279 50 40 GIGB CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccc(Br)cc1 4724386 GBQOVOFGSRRMKW-CIAFOILYSA-N 389.293 4.276 50 40 GIGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl 5879669 GSRIQXLYCYFUDX-WUXMJOGZSA-N 391.210 4.246 50 40 GIGB COc1ccc2cc(/C(C)=N/NC(=O)c3ccc(OC)c(OC)c3)ccc2c1 6312365 YYGQONSDYAJVDG-OEAKJJBVSA-N 378.428 4.020 50 40 GIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 59473314 DTIBQAQPNGGBKK-AEOXGOBCSA-N 389.908 4.319 50 40 GIGB Cc1c(/C=N\NC(=O)Cc2cccn2C)c2ccccc2n1Cc1ccccc1 71335830 FSTRXFMAPAWURG-XYGWBWBKSA-N 384.483 4.029 50 40 GIGB N#C/C(=C\c1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 948090 RWPVDCZAPGQVLR-NTEUORMPSA-N 382.666 4.441 50 40 GIGB CCCCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1 59447359 YFVDWJWCLQPYSJ-UDWIEESQSA-N 391.265 4.098 50 40 GIGB C[S@@](=O)Cc1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1 11768584 BWQLYGSNSGMJRP-QHCPKHFHSA-N 391.707 4.282 50 40 GIGB Cc1cc(/C=N/NC(=O)Nc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 4065334 MZDMCSRMTJZNDU-HZHRSRAPSA-N 375.476 4.316 50 40 GIGB Cc1sc2ncnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)c2c1C 6084620 FAMGPHHYBKRFBV-UHFFFAOYSA-N 393.497 4.242 50 40 GIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1c(O)ccc2ccccc12 4735254 XNINRBIZEBWFIF-CIAFOILYSA-N 383.245 4.001 50 40 GIGB CN(NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccccc1 15133579 PMOGJTTZHYJWSC-UHFFFAOYSA-N 385.876 4.435 50 40 GIGB O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccccc1 5946430 MDDWCWBTNTUCNP-GFMRDNFCSA-N 389.842 4.021 50 40 GIGB O=P(C(=S)N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1C=CC[C@H]21)(c1ccccc1)c1ccccc1 169809523 YSKJWRGCOCIJFA-IQQJEHGZSA-N 393.492 4.476 50 40 GIGB COc1cc(SC#N)ccc1N/C=C1\C(=O)N(c2ccc(F)cc2)N=C1C 5488032 HVRZDKABPFWFMA-YBEGLDIGSA-N 382.420 4.126 50 40 GIGB COc1ccccc1NC(=S)N/C=C(/C#N)C(=O)c1ccc2ccccc2c1 8651966 IMGVPTMRGAZRFS-JXAWBTAJSA-N 387.464 4.425 50 40 GIGB N#C/C(=C/c1ccccc1OCC(=O)O)C(=O)Nc1ccc(Cl)cc1Cl 40161141 WPZFBGWQOCOQJX-GHXNOFRVSA-N 391.210 4.002 50 40 GIGB CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC 40961716 KPRUBEIMHHVHJE-CIAFOILYSA-N 392.908 4.380 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 942003 FTIUNXHYOWCCHL-LDADJPATSA-N 378.428 4.054 50 40 GIGB O=C(CCn1nc(-c2ccccc2)cc1-c1ccccc1)N/N=C/c1ccco1 7636351 MCDGNZDHEOXAKE-JJIBRWJFSA-N 384.439 4.351 50 40 GIGB CCCC[C@@H](CC)CNC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 32801781 OTDCKHYYUDYJMU-MRXNPFEDSA-N 387.480 4.019 50 40 GIGB C[C@H](Sc1c(F)cc(F)cc1F)C(=O)C(C#N)=C1Nc2ccccc2N1 102388575 NEGDXUJLXQDJIW-VIFPVBQESA-N 375.375 4.426 50 40 GIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSCc2ccccc2Cl)c1 141289128 UUOXILQGHAAOGZ-LPYMAVHISA-N 389.908 4.072 50 40 GIGB Cc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)s1 408567983 HIUNLDWLUIWIGF-VCHYOVAHSA-N 378.544 4.064 50 40 GIGB CCn1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C 409099675 SSSUXEJFRDGRIK-JMIUGGIZSA-N 388.265 4.397 50 40 GIGB Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccco2)c1 409219787 QKQXKFZCSJZIGS-UUYOSTAYSA-N 382.803 4.225 50 40 GIGB COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccco1 4540902 PVELTAHFISDMMS-PTNGSMBKSA-N 385.379 4.448 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1 5336786 MJSIATAXXJBCET-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB CN1C(=C(C#N)C(=O)COc2c(Cl)cccc2Cl)N(C)c2ccccc21 12539450 MIUSAJCRDKLZAH-UHFFFAOYSA-N 388.254 4.263 50 40 GIGB CCc1c(OC)cccc1C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 13490036 QYYXITIZXRMPSZ-UHFFFAOYSA-N 382.504 4.460 50 40 GIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)o1 58823116 ZFSQXGBDVQQSRA-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1OCC 409056243 LHIZPJDTANNJNF-GCKGFAKQSA-N 388.895 4.027 50 40 GIGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 4545752 RGQYIHWAELFPRT-SSNBBSKJSA-N 385.395 4.270 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1 20194319 BDVVMULYNJQWHR-LPYMAVHISA-N 377.400 4.164 50 40 GIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cn(CC#N)c3ccccc23)c1 33782419 UJZKVUMQPYRMBJ-CVKSISIWSA-N 395.466 4.336 50 40 GIGB N#C/C(=C\c1ccc(-n2cncn2)c(F)c1)C(=O)c1c[nH]c2cc(Cl)ccc12 44027349 GBZHDBYKHCKWSL-WLRTZDKTSA-N 391.793 4.331 50 40 GIGB CCOC(=O)NC1CCC(OC(=O)CCCC[C@H]2CCSS2)CC1 66542307 KOXAOMDBYYLWGG-NRXISQOPSA-N 375.556 4.301 50 40 GIGB C[C@H]1CCCC/C1=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 97359958 OOGNDSXSWDSASE-CZXMTPCLSA-N 377.488 4.230 50 40 GIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1 408961719 UWYYGGLKJNPBQQ-FSJBWODESA-N 392.411 4.034 50 40 GIGB Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1ccccc1 408993100 CKWZQZUDUGLZLB-QRVIBDJDSA-N 381.863 4.277 50 40 GIGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c1C 4048120 JHXHTUMJTQBSSR-LOHYDARVSA-N 397.906 4.258 50 40 GIGB Cn1cccc1CC(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 4724633 FXYSWDZLFVAOCJ-SRZZPIQSSA-N 376.243 4.285 50 40 GIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1OC 4735377 UCULTWZONULTJK-YDZHTSKRSA-N 398.846 4.310 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 4784702 NREUTVQBMMSLIT-HYARGMPZSA-N 394.452 4.130 50 40 GIGB C[C@H]1CCc2sc(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)cc2C1 6085446 GOGJVOMWHMOSGV-QRYOHXEKSA-N 386.561 4.240 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1O 408743867 HUASUXSFQZCGJD-LCYFTJDESA-N 387.233 4.099 50 40 GIGB N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1c(Cl)cccc1Cl 408925353 RLBPSMWSOBWMHF-KPKJPENVSA-N 391.210 4.002 50 40 GIGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCC(C)C 408969210 JGVASENOWLCYEP-FSJBWODESA-N 396.443 4.249 50 40 GIGB CCOC(=O)c1c(NC(=O)Oc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 1887614959 AJESWLLXYZKYQF-UHFFFAOYSA-N 390.417 4.323 50 40 GIGB Cc1c(/C=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1 2349768 PYQUEBLKEXVNFR-RGXRWQALSA-N 397.478 4.182 50 40 GIGB Cc1ccc([C@]2(C(F)(F)F)NC(=O)C(C#N)=C3Sc4ccccc4N32)cc1 3277603 SHZDZFPCRMJZBZ-SFHVURJKSA-N 387.386 4.187 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)[C@H]3[C@H]4CCCC[C@]34C)o2)c([N+](=O)[O-])c1 101026211 IIXBOOKEPNZPRD-HQAQHWECSA-N 397.431 4.140 50 40 GIGB ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H](Cl)[C@@H]4O[C@@H]4[C@H]3[C@@]1(Cl)C2(Cl)Cl 103643274 ZXFXBSWRVIQKOD-UHJFOBPASA-N 389.320 4.453 50 40 GIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(C(C)=O)ccc2OC)c1C 3302783 DBHVJFVGTFUISJ-UDWIEESQSA-N 394.471 4.377 50 40 GIGB O=C(COc1ccc2ccccc2c1Br)NN=C(C1CC1)C1CC1 4523823 TYLIHWCMKPKXKI-UHFFFAOYSA-N 387.277 4.273 50 40 GIGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(CC)cc2)C(C#N)=C(N)O3)cc1 5489520 LCYJCTDKDVHQJZ-LJQANCHMSA-N 386.455 4.256 50 40 GIGB C/C(=N\NC(=O)c1ccccc1F)c1ccc(NC(=O)c2cccs2)cc1 5895246 YUUSHNVJZCZQDZ-YDZHTSKRSA-N 381.432 4.294 50 40 GIGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6900938 ISPRNDYNBCAPPG-MWBJOKRYSA-N 379.416 4.457 50 40 GIGB COc1cccc(/C=N/NC(=O)Cc2cccc3ccccc23)c1OC(C)C 10848373 MFNGIVSWLPIMMT-BUVRLJJBSA-N 376.456 4.328 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 33718789 GYUVWSGVGVLXED-ZCROIDERSA-N 399.487 4.149 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1O 255048567 SBAGJUKCZKVPPX-SFQUDFHCSA-N 378.428 4.074 50 40 GIGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 408598987 MYRRCRPFIWLIMA-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccncc2)cc(C(C)(C)C)c1O 408888923 CVIULRUJIPPMFX-MFKUBSTISA-N 381.520 4.465 50 40 GIGB COc1cccc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c1OC(C)C 409020433 PHCDBRSFHQKISQ-MSXFZWOLSA-N 394.393 4.194 50 40 GIGB CCCCCC/C(C)=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 4413006 QDLTZRVIVDADJC-IYWQOLOASA-N 393.531 4.490 50 40 GIGB COc1ccc(/C(C)=N\NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc1 6780356 ISHPCKCFPQGAMU-OYKKKHCWSA-N 392.503 4.040 50 40 GIGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6901002 ISPRNDYNBCAPPG-CMAAAVFUSA-N 379.416 4.457 50 40 GIGB O=C(CCCCl)NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1 9192051 YKGHQNIPZOEYPO-UHFFFAOYSA-N 391.855 4.466 50 40 GIGB N#CCn1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c2ccccc21 33305324 NPGSPGQSGQMYDH-KSEXSDGBSA-N 376.803 4.328 50 40 GIGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)nn2-c2ccccc2)cc1 408724854 MFUDEHANDMBVFX-PCLIKHOPSA-N 396.450 4.317 50 40 GIGB C/C(N)=C(/C#N)C(NC(=O)CCC1CCCCC1)(C(F)(F)F)C(F)(F)F 12362084 LPZDPIAMKYXNFL-ZRDIBKRKSA-N 385.352 4.083 50 40 GIGB COc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1Br 16227898 RLUUCIIXUPLPLV-MTJSOVHGSA-N 383.245 4.375 50 40 GIGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1 59334934 KTMVQESWZGLJFU-YBEGLDIGSA-N 385.261 4.023 50 40 GIGB [O-][N+]([C@H]1[C@H]2C[C@@H]([C@H]3CC=C[C@H]32)[C@H]1Cl)=[N+]([O-])[C@H]1[C@@H](Cl)[C@@H]2C[C@@H]1[C@H]1C=CC[C@H]21 104236588 ULTDDMMLHKVFET-XXMLMVMDSA-N 395.330 4.095 50 40 GIGB Cc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 408977693 FHEIGAQONWCFJS-ALAMRGAJSA-N 385.467 4.007 50 40 GIGB COc1cccc(-c2csc(NC(=O)/C(C#N)=C/c3ccccc3OC)n2)c1 2888772 AUDQYKUCVUJAGV-MHWRWJLKSA-N 391.452 4.373 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)cc1 4705002 QWHLDRCLPXDKSE-UKTHLTGXSA-N 387.233 4.099 50 40 GIGB Cc1ccc([C@]2(C(F)(F)F)NC(=O)N3C(=C2C#N)N(C)c2ccccc23)cc1 5637979 LBVLWNLAGKZXLQ-IBGZPJMESA-N 384.361 4.167 50 40 GIGB CCCOc1c(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cccc1OC 6880774 MIIZTPUNRWZKOF-LPYMAVHISA-N 382.416 4.003 50 40 GIGB COc1cc([C@H]2C(C#N)=C(C)N=C3C2=C(O)c2ccccc23)cc(OC)c1OC 101870550 DGXWFNCPRYDFBB-IBGZPJMESA-N 388.423 4.379 50 40 GIGB C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(NC(=O)c2ccccc2)cc1 408839829 ARSCXZDCTHLPDT-MFKUBSTISA-N 375.403 4.232 50 40 GIGB Cc1cc(/C=N\NC(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 408992403 BBZHZTPFMPXTPN-JAIQZWGSSA-N 386.249 4.214 50 40 GIGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1O 409024801 XBDZYTAGIIUKBD-ZBKNUEDVSA-N 379.199 4.218 50 40 GIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC 409053987 PKRGEGURPNZXAJ-SSDVNMTOSA-N 391.254 4.086 50 40 GIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1OCC 409056251 LHIZPJDTANNJNF-PIFOYEDLSA-N 388.895 4.027 50 40 GIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(OC)cc1OC 33616412 UPSQGOBRVNTPQW-OEAKJJBVSA-N 378.428 4.020 50 40 GIGB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)OC(=O)[C@H]12 101082009 QWYDHHASCRHQDJ-OTLGMJNYSA-N 386.447 4.302 50 40 GIGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccc(C(F)(F)F)c1 114388412 CXVGJGOTCBOEDL-QPSGOUHRSA-N 377.149 4.482 50 40 GIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1OCC 409056247 LHIZPJDTANNJNF-LJVJAZEMSA-N 388.895 4.027 50 40 GIGB COc1ccc2nc(/C(C#N)=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)[nH]c2c1 409390320 CLBIOVILKQXABK-KAMYIIQDSA-N 385.383 4.335 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@@]43C)o2)c1 13633479 JCPFIUFXGRGHTH-HJSICRDTSA-N 380.444 4.010 50 40 GIGB CC(C)n1nc(C(=O)NN(c2ccccc2)c2ccccc2)c2ccccc2c1=O 14862476 QOMIUARHGJOVCF-UHFFFAOYSA-N 398.466 4.461 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 17649531 HLVONKATQUPINO-ZVHZXABRSA-N 378.403 4.177 50 40 GIGB Cc1ccc(C)c(NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c1 2783813 PYFGILFEGMGZEW-UHFFFAOYSA-N 389.524 4.453 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Br)c2)cc1 5751641 HXTINUXNKGOETK-XNTDXEJSSA-N 396.244 4.206 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c(OC)c1 6646223 RVQZUTQQNDUXAY-WSDLNYQXSA-N 384.819 4.381 50 40 GIGB CC[C@@H](Br)C(=O)Nc1nc2cc(Br)c(C)cc2s1 20132240 GLHUSLQTHQTSTF-SSDOTTSWSA-N 392.116 4.479 50 40 GIGB O=P(C(=S)N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@@H]12)(c1ccccc1)c1ccccc1 169809527 YSKJWRGCOCIJFA-YCDQRNBNSA-N 393.492 4.476 50 40 GIGB C[Si](C)(C)O[Si](CCCN=C=O)(O[Si](C)(C)C)O[Si](C)(C)C 195839379 QRWZBOQSMUYOCM-UHFFFAOYSA-N 379.754 4.206 50 40 GIGB CCN1c2cc(C)c(/C=N\NC(=O)c3ccccc3O)cc2C(C)=CC1(C)C 208522109 UPEIHSIDGLAPOF-OYKKKHCWSA-N 377.488 4.486 50 40 GIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl 408799370 YUWMNXPLSMEGQU-CXUHLZMHSA-N 398.846 4.054 50 40 GIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cccc(Br)c2)cc1 409112460 CWJUZTFRAYXZHF-OTGIAGGSSA-N 377.307 4.388 50 40 GIGB Cc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 7386140 UIMQJRHVCMVMAN-XIEYBQDHSA-N 390.531 4.349 50 40 GIGB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)[C@H](C)Cl)c1C 14405645 RKGVWBBMTSAWDY-LBPRGKRZSA-N 376.888 4.118 50 40 GIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSCc2cc(C)cc(C)c2)c1 15226255 NITXZGUVYKBMFY-XQNSMLJCSA-N 383.517 4.035 50 40 GIGB COc1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1Br 22748513 CYGCWCRKIKUPLJ-XYOKQWHBSA-N 382.217 4.171 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc(Cl)cc(Cl)c2O)[C@@H]2CCCC=C12 33371105 QYBDWRGNKJKQKH-MLGOLLRUSA-N 385.254 4.293 50 40 GIGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 57327083 YMQNSHIETHHYDE-LLVKDONJSA-N 375.211 4.267 50 40 GIGB C/C(=N\NC(=O)CSCc1ccccc1Br)c1cccs1 408846185 XSTIGWUMFDUZQM-GZTJUZNOSA-N 383.336 4.284 50 40 GIGB CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)cc1 408994776 IZULFXXIVAZPHU-HZHRSRAPSA-N 378.476 4.297 50 40 GIGB COc1ccccc1[C@@H]1CC(=O)N2CN(c3cccc(C)c3)CSC2=C1C#N 4923325 AUYOISGNFWXRKR-SFHVURJKSA-N 391.496 4.223 50 40 GIGB CCOc1ccc2ccccc2c1/C=N\NC(=O)CNc1c(C)cccc1C 13285920 WMGAUEJNHRZFDB-QFEZKATASA-N 375.472 4.418 50 40 GIGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1OC 33786141 NMIAJTCCQNOWSM-IWIPYMOSSA-N 390.439 4.047 50 40 GIGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)c1ccccc1 59399099 VRKJEZNUGVYOFL-XMHGGMMESA-N 389.432 4.244 50 40 GIGB Cc1ccc(CC(=O)NNC(=O)c2sc3cc(F)ccc3c2Cl)s1 67464698 TWIIMZMNMJABQK-UHFFFAOYSA-N 382.869 4.067 50 40 GIGB CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 1815699 MZWDTERLVHEQJR-LJQANCHMSA-N 388.423 4.190 50 40 GIGB CCCCc1[nH]nc2c1[C@H](c1ccc(OC3CCCC3)cc1)C(C#N)=C(N)O2 4631726 PNCVGPMUFROXFW-LJQANCHMSA-N 378.476 4.292 50 40 GIGB CCOc1ccc(C=NNC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 26781941 TXNNRVCFAMXGME-UHFFFAOYSA-N 389.499 4.459 50 40 GIGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1cccc2ccccc12 98053638 ADQIPEDJQFAHMS-OVCLIPMQSA-N 387.351 4.022 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCC#N 408820548 YNCSDLFOZMRCMN-ATVHPVEESA-N 391.402 4.011 50 40 GIGB Cc1ccc(S[C@@H](C)C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1 409331227 MVKYUNARCXFZEY-SFHVURJKSA-N 381.545 4.244 50 40 GIGB CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 1815700 MZWDTERLVHEQJR-IBGZPJMESA-N 388.423 4.190 50 40 GIGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)cc1 5006541 MHJWGGHUDNIPIO-KGENOOAVSA-N 392.499 4.251 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1OC 5740582 LLURBCDOLHMHMU-ZVHZXABRSA-N 391.471 4.184 50 40 GIGB CCOc1ccc(OCc2ccc(C(=O)N/N=C3/C[C@H]4C=CC[C@@H]34)cc2)cc1 38437079 JFJINYVVMDKCOK-KBKWCXKJSA-N 376.456 4.346 50 40 GIGB COc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)ccc1OCc1ccc(Cl)cc1 97964118 GWGZVURPCROBCA-LZYBPNLTSA-N 390.830 4.095 50 40 GIGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cnn(C)c3C)c3ccccc3n2)cc1C 1003431 XMYMSJOTLQWCPD-DHRITJCHSA-N 397.482 4.324 50 40 GIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCCC3)c2C)cc1 1105163 ZLGPVCYLFTVATL-XMHGGMMESA-N 377.488 4.459 50 40 GIGB COC(=O)[C@@H](c1ccccc1)[C@H](Br)C(=O)c1ccc(Cl)cc1 1664796 BSBGTFNGDSMLDN-GJZGRUSLSA-N 381.653 4.243 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 4514890 RXXRSBDXJSAWFP-RGVLZGJSSA-N 387.233 4.358 50 40 GIGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cccc4ccccc34)c2)n1 6189278 VKEMCIMHAJJEHG-MFKUBSTISA-N 382.467 4.465 50 40 GIGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 6220092 ACGUBBXNWLPLOM-UHFFFAOYSA-N 393.487 4.018 50 40 GIGB COc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)ccc1OC(F)F 6931693 KCPSTDBOQQCPAY-WSDLNYQXSA-N 394.443 4.238 50 40 GIGB Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 9201312 AVDPBYWXCWCKKV-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB Cn1c(/C(C#N)=C/c2cc3ccccc3nc2N2CCOCC2)nc2ccccc21 22089723 MZJSENHJXYDCGJ-XDJHFCHBSA-N 395.466 4.022 50 40 GIGB CCN(CC)c1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)o1 39127183 FFVLVKGSHXWBRE-ODLFYWEKSA-N 393.285 4.352 50 40 GIGB Cc1cccc(NC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)c1C 408950459 FENIBNJNEHEDOE-HAHDFKILSA-N 375.476 4.316 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)c1C 409006726 KLRDUUSZWZDEFP-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB CCC(CC)C(=O)c1ccc(/C(C)=N\NC(=O)c2ccc3c(c2)OCO3)cc1 5792012 ZIBOBEBMUBCZMN-UCQKPKSFSA-N 380.444 4.188 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)[C@H](C)Cl 14405203 RGNTWDSJAKNJNB-ZDUSSCGKSA-N 396.878 4.307 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)cc2)cc1 20764580 FCGSOZUJIFWQRI-WGOQTCKBSA-N 399.450 4.300 50 40 GIGB CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)c1ccccc1 28216661 YSMWBSSHJBRISO-JHXRPTDYSA-N 379.435 4.071 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(C)cc1 59334277 ZWAOXAUNUOTWIG-MFOYZWKCSA-N 384.863 4.231 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(O)cc3)c2C)cc1 1090992 LWUIAMSSZHGJJH-QGOAFFKASA-N 387.439 4.354 50 40 GIGB Cc1ccc([C@@]2(C(F)(F)F)NC(=O)N3C(=C2C#N)N(C)c2ccccc23)cc1 5637977 LBVLWNLAGKZXLQ-LJQANCHMSA-N 384.361 4.167 50 40 GIGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6899391 QFACHQJBHDQMTE-NBFDZPTDSA-N 379.416 4.457 50 40 GIGB COc1cc(Br)c(Br)c(/C=C/C(=O)Cl)c1OC 16194710 IRZVPUJZABHFAT-ONEGZZNKSA-N 384.451 4.007 50 40 GIGB C=CCNC(=O)N/N=c1\cc(C)c2cc3c(cc2o1)OC1(CCCCC1)CC3 70655958 WDQDHXWCBIKRRQ-HIXSDJFHSA-N 381.476 4.070 50 40 GIGB CCN1C(=O)/C(=N\NC(=O)c2sc3ccccc3c2Cl)c2ccccc21 101658169 FDSKYDBOOXKAJL-PGMHBOJBSA-N 383.860 4.055 50 40 GIGB Cc1ccccc1NC(=O)N/N=C\c1cc(Br)c(N2CCCC2)o1 408817020 WZPIGRXSMIGBNK-ODLFYWEKSA-N 391.269 4.106 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC(C)C)cc2)c(C)c1 409186448 CBRFZLDTFSSBRE-UNOMPAQXSA-N 392.455 4.180 50 40 GIGB Cc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)cc1 409364105 NBBPATDSEIHUSP-MXAYSNPKSA-N 388.471 4.177 50 40 GIGB Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1cccc(Cl)c1 3084108 ZSKLRNOWWWRKNX-SRZZPIQSSA-N 378.259 4.171 50 40 GIGB CCOc1ccc(OC)cc1/C=N/NC(=O)COc1cc(C)ccc1C(C)C 3175201 IFIOTBIMWICBFM-YDZHTSKRSA-N 384.476 4.055 50 40 GIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccccc2OC(F)F)cc1 3214688 UQFCXCOWASATHK-FSJBWODESA-N 376.403 4.115 50 40 GIGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc(C)cc1 4697853 KTFRLOXAMOQKDB-ZMOGYAJESA-N 377.366 4.148 50 40 GIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 16440108 RMIHNMYPANSKAU-NBVRZTHBSA-N 378.428 4.198 50 40 GIGB O=C(CCCC[C@H]1CCSS1)N1CCC(c2nnc3ccccn23)CC1 28738356 KPZPRVCRDJRSNS-INIZCTEOSA-N 390.578 4.149 50 40 GIGB biogenic CC(C)c1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1 59458910 QTCSDSBZRKZJNL-YBFXNURJSA-N 392.240 4.179 50 40 GIGB C#CCn1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c2ccccc21 409022549 RNTIBCUYKUGWDC-FMCGGJTJSA-N 375.815 4.438 50 40 GIGB N#CC1=C(N)S[C@@H](c2ccc(F)cc2)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1Cl 4397086 ANSUFBDAESBCFC-ZACQAIPSSA-N 389.839 4.390 50 40 GIGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 20133110 DGNRCWVIOXJUDH-LLVKDONJSA-N 384.299 4.147 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(CCCCCC2)[C@H]1c1ccccc1 35193585 ZGZJOPAXJHDUIP-OFNKIYASSA-N 375.472 4.244 50 40 GIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(N3CCCC3)cc2)cc1 408960667 NNQLHGUFXAPISR-KOEQRZSOSA-N 386.499 4.458 50 40 GIGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(N2CCCCC2)o1 409002456 UXKRGDUXTLMMQH-CIAFOILYSA-N 391.924 4.307 50 40 GIGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccccc1[N+](=O)[O-] 409132582 JLVODZYLXBKCPT-UFWORHAWSA-N 398.271 4.285 50 40 GIGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC(=O)C[C@@H]1c1ccccc1 6496147 POEHCWHYSFOBLK-MRXNPFEDSA-N 397.887 4.051 50 40 GIGB COc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1OC 38198096 BGYVHUUNXGOKJT-IWIPYMOSSA-N 390.439 4.047 50 40 GIGB CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 85565169 MDFXWBJYDYWQRK-SGGRRFJASA-N 382.548 4.352 50 40 GIGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1 408990570 XLFBZXRREPNIQJ-KAPURRDVSA-N 392.846 4.076 50 40 GIGB COc1cccc(/C=N/NC(=O)c2sc3cc(F)ccc3c2Cl)c1O 2760147 QUHPKWNZWCKAII-DNTJNYDQSA-N 378.812 4.172 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccc(Cl)cc1 3259266 QLHDXYZFOPEHBV-LDADJPATSA-N 396.874 4.457 50 40 GIGB C/C(=N\NC(=O)O/N=C/c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 5516942 XEGWPTLTPRTLEB-IOMRDFFCSA-N 390.399 4.016 50 40 GIGB CCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC 6410476 XPXCVCKGYYWJDY-XSFVSMFZSA-N 378.472 4.488 50 40 GIGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1 12292671 UYDMMPILVWZMGQ-LBPRGKRZSA-N 388.876 4.092 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=CCCC[C@H]2[C@@H]1c1cccc2ccccc12 22000858 XGDGFATYQMYRDA-KJWPAHLWSA-N 397.478 4.473 50 40 GIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/C=C/c2cccc([N+](=O)[O-])c2)cc1 30937335 HGSVPWXPGLAZCR-CQBCOIIOSA-N 381.432 4.087 50 40 GIGB O=C(O)c1ccc(N/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 104385675 QMJQZMRLWXVMAN-FYJGNVAPSA-N 380.275 4.115 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)c(C)c3)o2)cc1 408566614 HYVLMTUAIFOPHS-ZVHZXABRSA-N 390.439 4.043 50 40 GIGB COc1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3[C@H]4CCCC[C@]43C)o2)c([N+](=O)[O-])c1 408718781 IIXBOOKEPNZPRD-INMLBQQCSA-N 397.431 4.140 50 40 GIGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408804564 YJZMBZJUHMFELS-GHRIWEEISA-N 397.390 4.306 50 40 GIGB C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(Br)s1 706636 NCMZIEQXJALXRG-PCYPHTAMSA-N 387.686 4.082 50 40 GIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(C(C)C)c(OCC)cc1C 818612 KMDZFMHHAVFCCV-HXUWFJFHSA-N 384.476 4.162 50 40 GIGB N#CC1=C(O)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 2294705 QNJLNLDYOQFLLP-YWZLYKJASA-N 388.379 4.403 50 40 GIGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 6179612 PYFHGHXEECEHRP-NNLXQCSXSA-N 380.831 4.462 50 40 GIGB CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(F)cc1 7894326 KFQQWJJLYZCEPD-RGVLZGJSSA-N 379.229 4.141 50 40 GIGB Cc1cccc(OCC(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1C 9196010 CBFDCQQWNKZVCW-UUYOSTAYSA-N 393.399 4.001 50 40 GIGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NC1CC1 17079395 HDLCOAGCYLDNQQ-VBKFSLOCSA-N 388.858 4.378 50 40 GIGB CC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19818109 RMTCWOPWKFTMDI-VGOFRKELSA-N 385.423 4.480 50 40 GIGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@H]1c1ccc(Cl)cc1 20503731 GHSSBWKLEGPJLW-INIZCTEOSA-N 385.876 4.148 50 40 GIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)c3ccccc23)cc1 33647002 DXYRAJQTWHNSSX-ZVHZXABRSA-N 389.455 4.349 50 40 GIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccccc2Br)c1 58915591 CIHVVBQPPBYSSF-KEBDBYFISA-N 391.334 4.449 50 40 GIGB COc1cc(SC#N)ccc1N/C=C1/C(=O)N(c2ccc(F)cc2)N=C1C 101125183 HVRZDKABPFWFMA-MHWRWJLKSA-N 382.420 4.126 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2cccs2)c1C 408589068 KNQWGODVIRDFIL-RGVLZGJSSA-N 382.445 4.136 50 40 GIGB N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@H]1c1ccccc1F 720241 HVNGJIYUJAQBHW-IBGZPJMESA-N 395.384 4.409 50 40 GIGB Cc1cccc(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)c1 1056598 QJDKUSKWWKOERG-OAQYLSRUSA-N 384.483 4.331 50 40 GIGB COc1cccc(C(=O)N/N=C/c2cccn2-c2ccc(Br)cc2)c1 2304036 DAYLSVFFCZSTEQ-FYJGNVAPSA-N 398.260 4.012 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1O 6319127 KMRZQVQQCMUBDG-ZMOGYAJESA-N 395.434 4.101 50 40 GIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)cc1 6709116 TUVWYPPZIJJQAP-VGOFMYFVSA-N 399.244 4.286 50 40 GIGB CC(C)c1ccc(NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C)cc1 15423138 PHMDECAYJNTTDP-INIZCTEOSA-N 383.330 4.064 50 40 GIGB Cc1cccc(COc2ccccc2[C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c1 409124167 JOFHNTKRSALAPF-HSZRJFAPSA-N 399.494 4.304 50 40 GIGB Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccccc1Br 716711 GRPMARQGHKOFLE-SRZZPIQSSA-N 389.293 4.410 50 40 GIGB Cc1cccc(CN2C(=O)C(=C(C#N)C#N)c3cc(Br)ccc32)c1 1320727 OFDBWLPVVDJXFE-UHFFFAOYSA-N 378.229 4.105 50 40 GIGB Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c1C 6996840 GPRSNUWWVXZNEC-SSDVNMTOSA-N 392.286 4.479 50 40 GIGB COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1O 7167067 UJXZOGOYRAVOPF-WUXMJOGZSA-N 384.240 4.046 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(F)cc1 59334274 FZBQIUYQXFYBKA-NVNXTCNLSA-N 388.826 4.062 50 40 GIGB Cc1nc2sccn2c1C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 59435480 NOZAHIQYMUCCSP-FYJGNVAPSA-N 376.441 4.260 50 40 GIGB COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc12 408904612 MESUCALQWVILAQ-UUYOSTAYSA-N 389.367 4.267 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 408965160 HCWVQCKQKWNCAM-CVKSISIWSA-N 398.466 4.415 50 40 GIGB COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl)OCO2 409091088 TWLHJFPLBHBYDJ-NYYWCZLTSA-N 391.210 4.276 50 40 GIGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1 409143391 NCEJBNXCKORCLF-CQSZACIVSA-N 397.525 4.021 50 40 GIGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(OCC)c1O 409393424 XCZJJCGJTQAKFQ-YBEGLDIGSA-N 375.428 4.468 50 40 GIGB COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 31906005 MPQSEWDDBGAYDD-PXNMLYILSA-N 390.420 4.390 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1cc2c(cc1C)N(C)C(C)(C)C=C2C 208457914 AIUVLKHZGUTPSZ-ZVHZXABRSA-N 377.488 4.399 50 40 GIGB COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(C)cc4)cc3C2)cc1 408734216 FLGOXKKPUKUMMJ-QFEZKATASA-N 385.467 4.288 50 40 GIGB CC(C)COc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc12 408735384 RCFSCVUXQIQIPT-GQEMFKIVSA-N 378.472 4.077 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCc1ccccc1 408802935 JJDBITNZWWLRDK-NNIWKIFQSA-N 378.472 4.486 50 40 GIGB C/C(=N\NC(=O)c1cccnc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408830288 LVVVOFNWHCDORX-AFUMVMLFSA-N 392.846 4.141 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OC 409071984 ACQZMDWPMYPJOP-SFQUDFHCSA-N 378.428 4.074 50 40 GIGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)NC1CCCC1 409189145 DHWHCLXDKWPHQX-LCYFTJDESA-N 384.819 4.264 50 40 GIGB CCOCCCNC(=O)/C(C#N)=C\c1ccc(N(CC)Cc2ccccc2)cc1 3247883 ISCGULWQAWSHBI-XLNRJJMWSA-N 391.515 4.163 50 40 GIGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 5130015 VONNYJXWEKPKIP-GXDHUFHOSA-N 388.395 4.334 50 40 GIGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Cl)c1O 5872032 DFISCYBRXLGFDH-WYMPLXKRSA-N 397.862 4.160 50 40 GIGB Cc1ccc(-c2ccsc2C(=O)NNC(=O)N(C)Cc2ccccc2F)cc1 9537032 XEEUFDPDIAXCEY-UHFFFAOYSA-N 397.475 4.349 50 40 GIGB CCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 27995740 DMVJCBHADICSEU-HYARGMPZSA-N 396.516 4.374 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OC(C)C 32189072 RLZYXEBAEWSZPS-RIYZIHGNSA-N 386.835 4.387 50 40 GIGB Cc1sc2nc(/C(C#N)=C\c3cc(Cl)c4c(c3)OCO4)[nH]c(=O)c2c1C 60544267 JYLQJDDMMOVGKD-JYOAFUTRSA-N 385.832 4.048 50 40 GIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2cccnc2)c1C 408779038 PNVWSKGCCBKASE-OCKHKDLRSA-N 392.466 4.498 50 40 GIGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408807266 KUVOQRBHPDMAEF-LFIBNONCSA-N 396.830 4.237 50 40 GIGB CCOc1ccc2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c(Cl)nc2c1 933841 FNKXCZSSMMOPEV-GOSISDBHSA-N 395.846 4.102 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1cccc(C(=O)O)c1 2834753 PTCPKWCWHPVUOL-UNOMPAQXSA-N 385.423 4.338 50 40 GIGB O=C(N/N=C\c1cn(CCOc2ccccc2)c2ccccc12)c1ccccc1 7093492 ISIRCBXQZJOBGD-UQQQWYQISA-N 383.451 4.484 50 40 GIGB N#C/C(=C\c1ccc(F)cc1F)S(=O)(=O)c1ccc(Br)cc1 14183172 FUKYMOCWFLDMRF-VGOFMYFVSA-N 384.201 4.066 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C([C@H](C)CC(C)(C)C2)[C@H]1c1ccccc1 254524033 VZDYFOCXVQNZFM-VEQVNTQVSA-N 389.499 4.346 50 40 GIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(I)o2)c1 408794268 RTVRRLTWMNUVMJ-XYOKQWHBSA-N 392.196 4.047 50 40 GIGB COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cccc23)cc1 871094 RFYPRBQPCUPZLL-WSDLNYQXSA-N 379.485 4.103 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Br)cc2)[C@H]2CCCC=C12 1085009 GUSVBKUKGORYQU-RDJZCZTQSA-N 379.261 4.043 50 40 GIGB Cc1ccc(C)c(CN2C(=O)C(=C(C#N)C#N)c3cc(Br)ccc32)c1 1320713 WQJWQBWYVZETHX-UHFFFAOYSA-N 392.256 4.414 50 40 GIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nnc2n1CCCCC2 4176445 JYCPAGAFHHDNNV-XDJHFCHBSA-N 384.439 4.288 50 40 GIGB O=C(N/N=C/c1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2)CC1 5636506 BHDBBDCVPJRBGJ-YDZHTSKRSA-N 390.314 4.356 50 40 GIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@@H]2C1 17118635 GFOGUBRWYBBOHI-XHBKTUGNSA-N 393.288 4.289 50 40 GIGB COc1cc(C)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OC 33666478 VFNTVUQBKDHROU-ZVHZXABRSA-N 391.471 4.184 50 40 GIGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(Cl)cc1Cl 36144774 WVFAPNFXISBDFI-OCKHKDLRSA-N 386.076 4.449 50 40 GIGB N#C/C(=C/c1ccc(Br)cc1)c1nc(N)nc(Nc2ccccc2)n1 58192523 QRWZBPXXDNGVQW-RAXLEYEMSA-N 393.248 4.024 50 40 GIGB Cc1nc2cc(Cl)ccn2c1C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59459519 PSDHJTQYZXBYNR-DNTJNYDQSA-N 381.650 4.367 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1cccs1 59534418 WRUWWOHBRBNIQZ-GXDHUFHOSA-N 379.397 4.140 50 40 GIGB Cc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2I)c1 408752136 GAXSVAXPHQCSFT-UVTDQMKNSA-N 388.208 4.145 50 40 GIGB Cc1c(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(Cl)nn1-c1ccccc1 408895843 WAKPFOCTSQVTKB-NSMHLIOHSA-N 398.919 4.465 50 40 GIGB COc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 408963724 OTLIMOXMIMLVIM-UUYOSTAYSA-N 389.367 4.267 50 40 GIGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1cc(C(=O)O)ccc1Cl 409000065 MJHMXIURWDXUFP-FMCGGJTJSA-N 395.846 4.210 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1cccc(F)c1 409376683 COIPPJJRNSNRKM-BOPFTXTBSA-N 375.403 4.485 50 40 GIGB N#CC1=C2CCCC[C@H]2[C@@H](c2cccc(Br)c2)C(C#N)(C#N)C1=O 2297488 KGRIVQHVDXWUEI-NVXWUHKLSA-N 380.245 4.159 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c(C)c1 7610111 GGKXDZPFFHFNAR-HNLWVNFGSA-N 377.488 4.446 50 40 GIGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCc2ccccc2)NC(=O)[C@@H]1C#N 9329564 XBFVNOPMQNMMRZ-XLIONFOSSA-N 389.480 4.107 50 40 GIGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)CCC3CCCC3)cc2)cc1 12815633 HHYXSFBNRHGVLQ-UHFFFAOYSA-N 386.517 4.241 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(F)cc1 33603807 MTLMIPRNFAMNDY-ATVHPVEESA-N 375.403 4.485 50 40 GIGB Cc1ccc(-n2nc(C)c(CC(=O)NN(C)c3ccccc3)c2C)cc1Cl 58377759 MVLYZLDLDNSKLY-UHFFFAOYSA-N 382.895 4.161 50 40 GIGB Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)cc1 1095569 LNIJCRQRWNRDDS-WVWKGNOCSA-N 399.494 4.200 50 40 GIGB N#C/C(=C\c1ccc(N2CCCC2)o1)C(=O)Nc1ccccc1Br 3236803 UKWIBPYCXZZHDU-ACCUITESSA-N 386.249 4.188 50 40 GIGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 4545158 AQBQLLYWGCPRNQ-KEBDBYFISA-N 396.230 4.454 50 40 GIGB COc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C(\C)c2cccs2)c1 4671612 VYEDPKIKCQZURR-OEAKJJBVSA-N 393.468 4.163 50 40 GIGB CC[C@H](C)Oc1c(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cccc1OC 13939787 LIOBICBGSPMGKS-ZKMNFCBKSA-N 380.444 4.427 50 40 GIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cn(CC#N)c3ccccc23)cc1 33736876 YRPVNGXVPPNCAY-CVKSISIWSA-N 395.466 4.336 50 40 GIGB C=CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)OCC)o2)ccc1Cl 59416966 SNJIDKLOFYMGOM-GXDHUFHOSA-N 385.803 4.413 50 40 GIGB C=CCOc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1 408904692 NDZZTPYBWQIGPC-NDENLUEZSA-N 388.265 4.478 50 40 GIGB N#C/C(=C/c1ccc(N2CCCCCC2)o1)C(=O)NCCCc1ccccc1 409243211 QOKONXRMIZHGAW-JZJYNLBNSA-N 377.488 4.316 50 40 GIGB Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)c2c1 685574 FMYPRUISMCUJIS-YDZHTSKRSA-N 392.528 4.160 50 40 GIGB CC(C)Sc1nc(NNC(=O)C(C)C)c2c3c(sc2n1)COC(C)(C)C3 2427139 KQUXRAQFPPVTFT-UHFFFAOYSA-N 394.566 4.142 50 40 GIGB CCCN1C(=O)/C(=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21 6879392 YWQJFYBVIDAHBN-YYDJUVGSSA-N 397.434 4.477 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1Br 7158134 MXRPITCMVOGECE-HZNNPKNDSA-N 377.282 4.060 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC 44028701 VMSQUSQNHQNHGO-MKMNVTDBSA-N 385.803 4.266 50 40 GIGB CC(C)c1nn(C)cc1/C=C(\C#N)c1nc(O)c2cc(Br)ccc2n1 55039710 ZGBYEVMRDMNEGU-IZZDOVSWSA-N 398.264 4.019 50 40 GIGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)c1nc2ccccc2o1 409042372 MPSAQBASIJDHAZ-KPKJPENVSA-N 399.200 4.118 50 40 GIGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1 409237767 LPHCNWXWZJSORQ-IGCAKMCNSA-N 389.499 4.470 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 1002749 OTNMYKZNIYCTRV-KNQAVFIVSA-N 394.482 4.083 50 40 GIGB O=C(N/N=C/c1ccc(OC/C=C/Cl)cc1)c1cc2ccccc2cc1O 2186616 YLTHPTVHWBFJHW-OETQHTQNSA-N 380.831 4.441 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 5634073 GYQQKMYWCLRVHF-YDZHTSKRSA-N 390.314 4.356 50 40 GIGB Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1cc2c(s1)CCCC2 6932152 YOTRRYQFQZJJEM-YDZHTSKRSA-N 392.528 4.252 50 40 GIGB Cc1cccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3nccs3)c2)c1 17079467 BHYARUJWEPXUOV-GZTJUZNOSA-N 389.436 4.216 50 40 GIGB Cc1nc(CC(=O)N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)cs1 33551857 AFWRUVRNJCPRMR-SEDGDDRASA-N 377.469 4.038 50 40 GIGB CC(=O)O[C@@H](C)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104097330 BXFGTMOAMJRXSD-FQEVSTJZSA-N 378.452 4.055 50 40 GIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc2c(c1)C(C)=CC(C)(C)N2C 208440403 JJGVLHMXRGBRDA-ZVHZXABRSA-N 377.488 4.399 50 40 GIGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccccc1F 408996184 LITGLBXGMMQDCT-WYMPLXKRSA-N 399.853 4.416 50 40 GIGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1O 409048553 RXOIJXCCHHNOTM-WSDLNYQXSA-N 393.399 4.005 50 40 GIGB Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)cc2)cc1 409360951 OEJRYEZKGANIQU-QQXSKIMKSA-N 383.451 4.139 50 40 GIGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)o1 409369968 INAVJXVJHKDOHB-GDNBJRDFSA-N 388.379 4.205 50 40 GIGB O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccccc1F 12788317 RTHKHIFSMCPXIS-UHFFFAOYSA-N 390.374 4.100 50 40 GIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 16409877 XZKSWJYNASMCTO-RVDMUPIBSA-N 389.367 4.409 50 40 GIGB O=C(N/N=C\c1cccn1-c1ccccc1)Nc1ccc(Br)cc1 33305477 XOORXMTZNQLIHB-MOSHPQCFSA-N 383.249 4.395 50 40 GIGB N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)Nc1ccc(Br)cc1 59138385 QIBKZJNOTPKVTB-QBFSEMIESA-N 386.249 4.188 50 40 GIGB C/C(=N\NC(=O)c1ccncc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408828290 JJWBSPIAMYAPHJ-AFUMVMLFSA-N 392.846 4.141 50 40 GIGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)[C@@H](O)c1ccccc1 409268126 QCNXRGYFYFWADX-GQBLCDNYSA-N 394.858 4.103 50 40 GIGB O=C(c1cc(F)cc(C(F)(F)F)c1)[C@H](Br)CBr 575361223 TZQSPRHUXXEIDJ-MRVPVSSYSA-N 377.957 4.186 50 40 GIGB Cc1ccc(C)c(OCC(=O)N/N=C/C(Br)=C/c2ccccc2)c1 3136594 JBSBFUXAMNYSFC-NHJUXKLCSA-N 387.277 4.220 50 40 GIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1O 5775445 WEPLRXBIMCZCCO-BUVRLJJBSA-N 382.423 4.009 50 40 GIGB N#CC1=C(SCCOc2ccccc2Cl)NC(=O)C[C@H]1c1ccccc1 6496098 ASPRWOWTRGFOFZ-HNNXBMFYSA-N 384.888 4.491 50 40 GIGB COc1ccc(-c2noc(-c3ccccc3NC(=O)C(Cl)Cl)n2)cc1 60017032 GJKKNYKKKDCHCN-UHFFFAOYSA-N 378.215 4.154 50 40 GIGB N#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl 408850575 OIRZCKRPAZYNAL-YVNNLAQVSA-N 388.210 4.406 50 40 GIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(Br)o2)c1 408994603 GSSWDLTXQTZRRO-RGVLZGJSSA-N 386.249 4.214 50 40 GIGB N#CC1=C(N)OC(c2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1 704322 ASELGUIZMUTTIQ-QGZVFWFLSA-N 378.229 4.192 50 40 GIGB CCOc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccc(C)cc23)cc1 871088 MZQMFGFDTXSGON-YDZHTSKRSA-N 393.512 4.493 50 40 GIGB COc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 1434164 CUBCGIXCBSVNJK-BUVRLJJBSA-N 387.439 4.020 50 40 GIGB O=C(NC1CCCCC1)[C@@H](Br)[C@@H](Br)c1ccccc1 1801135 OTQYHQDFAKWSDZ-KBPBESRZSA-N 389.131 4.335 50 40 GIGB N#C/C(=C\c1ccc(OCCOc2ccccc2)cc1)C(=O)NC1CCCC1 5006459 HWAOYNDHZOJTHI-KNTRCKAVSA-N 376.456 4.110 50 40 GIGB COc1cccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1OC(C)C 6345634 JTURMBFDGPMQSN-SRZZPIQSSA-N 392.908 4.378 50 40 GIGB CN(C)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 408856441 KASWEVYXJHOSFF-JAIQZWGSSA-N 386.249 4.025 50 40 GIGB COc1ccc(-c2nc3ccccc3s2)cc1N1C[C@H](C(=O)Cl)CC1=O 45887048 PKMMKQUOJGBLIQ-GFCCVEGCSA-N 386.860 4.090 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 59399006 UKCCGAVIQLMJGY-PCLIKHOPSA-N 386.451 4.215 50 40 GIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OC)c(OC)c2)c1 408745499 MYJBKDWFWJEBJQ-ZSOIEALJSA-N 386.835 4.302 50 40 GIGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1 948698 DXSCKCYNVMSJRE-NTCAYCPXSA-N 390.370 4.418 50 40 GIGB Cc1ccnc(NC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)n1 1730556 OKJXLQXDZYCZBG-UHFFFAOYSA-N 395.334 4.030 50 40 GIGB C/C(=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1)c1ccccc1O 100914546 NAAOLKMRNGEVPD-FBHDLOMBSA-N 389.242 4.243 50 40 GIGB C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1ccco1 100951162 NOPAKBHDASFZCV-BUVRLJJBSA-N 376.416 4.158 50 40 GIGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cccn1-c1ccc(Cl)cc1 408755246 IXSZCOUTBOTHBM-KMUCBOENSA-N 381.863 4.095 50 40 GIGB COc1ccc(-n2cccc2/C=N\NC(=O)COc2cccc3ccccc23)cc1 408954338 SNLWMAUKJPQDRL-XYGWBWBKSA-N 399.450 4.168 50 40 GIGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Br)o1 408994973 KBMCGDBLNKFYSV-PCYPHTAMSA-N 387.686 4.326 50 40 GIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccccc2Br)cc1 409125534 FYGKBAAWBMRJGQ-MDBUFAAASA-N 377.307 4.388 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccccc1F 409126332 BGXWPOIHZFPNDA-NRFANRHFSA-N 390.414 4.219 50 40 GIGB O=P(c1ccccc1)(c1ccccc1)[C@H](O)c1ccc(Br)cc1 655497 DDWOQSFSKYOBEF-IBGZPJMESA-N 387.213 4.454 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1 1011056 QXPIWSXPCMGWPC-SSDVNMTOSA-N 382.803 4.371 50 40 GIGB O=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2ccccc2Cl)cc1 1085718 JNQASUFWVGYBMQ-YDZHTSKRSA-N 393.830 4.062 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1ccc(Cl)cc1 2412399 GRABGULVILJZIS-RVDMUPIBSA-N 384.844 4.312 50 40 GIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1OC 2670454 XPVQOCFYABPQPY-GHRIWEEISA-N 380.444 4.428 50 40 GIGB COc1cccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c1OC(C)C 19824600 BZCRQLMIFIXKEX-CXUHLZMHSA-N 386.455 4.491 50 40 GIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(Br)s2)c1 408745258 KVZBBSXFSFFEET-FLIBITNWSA-N 377.263 4.455 50 40 GIGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)o1 408859290 OAUWARUHEHSFMG-FMCGGJTJSA-N 388.379 4.463 50 40 GIGB CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc([C@H](C)CC)cc1 8733030 TZPDXQLSKRTVGU-CJNGLKHVSA-N 383.330 4.209 50 40 GIGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OC(C)C 20195144 AYIVGECPPGACLL-FSJBWODESA-N 388.895 4.445 50 40 GIGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)C(=O)NC1CCCCC1 33643304 MCFYCHNVLIBCKZ-STZFKDTASA-N 385.467 4.493 50 40 GIGB CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C/c2cccs2)C1 97962592 LLQSHDWFRQGLEQ-WNSCPLKPSA-N 377.554 4.187 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC#N 408789265 ICSQDHFTLRXURO-RVDMUPIBSA-N 381.819 4.187 50 40 GIGB CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)c1 408938720 RFJSATRGXQTGHV-AQTBWJFISA-N 378.428 4.198 50 40 GIGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc3ccccc3c2)cc1 408951827 KFTCYKINAXCPMA-KOEQRZSOSA-N 382.467 4.460 50 40 GIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 409113351 AJZJMYMHLLQLHR-NJDFMEINSA-N 377.853 4.188 50 40 GIGB O=c1ssc2c1N(C[C@@H](Cl)CCl)c1c(ssc1=O)S2 4491417 GFZKSGZZAFYZDM-VKHMYHEASA-N 390.385 4.102 50 40 GIGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 4690758 LSBUVAFYJICGIZ-MHWRWJLKSA-N 386.245 4.498 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccccc1 4743449 LUGLLSNPWYPWAI-ZVHZXABRSA-N 378.403 4.177 50 40 GIGB CCOC(=O)[C@H](CC(C)C)NCc1ccc(N(CCCl)CCCl)cc1 5422554 OIGIOZBLIDTXFG-SFHVURJKSA-N 389.367 4.038 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccn1-c1ccc(O)cc1 6971207 ASHZRKUUXWTEAK-CIAFOILYSA-N 385.876 4.079 50 40 GIGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(F)F 7238838 REYHJRGLVCFQAN-RIYZIHGNSA-N 399.802 4.288 50 40 GIGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Sc3ccccc3)o2)n1 8336690 BBYJUFXAQCWWKC-RGVLZGJSSA-N 398.513 4.080 50 40 GIGB O=C(NNc1ccc(Cl)c(Cl)c1)c1ccc(OC[C@@H]2CCCO2)cc1 12949983 KDOLIJSSXKYPHL-HNNXBMFYSA-N 381.259 4.308 50 40 GIGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c1OC 33406894 CZGKKMQYRIUNLF-RAXLEYEMSA-N 387.233 4.012 50 40 GIGB CCNc1ccc(C(=O)N/N=C2/CCCc3c(C)cc(C)cc32)cc1[N+](=O)[O-] 33732870 HKQVDWPEHWAGGH-NKFKGCMQSA-N 380.448 4.114 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1 408587477 GHJNOMBGQKYDNV-FOKLQQMPSA-N 395.846 4.240 50 40 GIGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1 408803788 AMEGMESIHKVKPI-XMEHXKCDSA-N 378.428 4.247 50 40 GIGB O=C(CCl)O/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1401138 NCLLHISJVSAFFP-PGMHBOJBSA-N 397.645 4.026 50 40 GIGB CC/C(=N\NC(=O)c1ccc(N(CC)CC)cc1)c1ccc(OC)c(OC)c1 5660224 GJOMGFKLLOUKDB-FCDQGJHFSA-N 383.492 4.094 50 40 GIGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccc(OC(F)(F)F)cc1 6720056 BGUHTFUNQWRQQW-OAHLLOKOSA-N 398.344 4.193 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccccc2)cc1COc1ccc(F)cc1 15933774 FASOOLDYENCZSY-ZVHZXABRSA-N 378.403 4.177 50 40 GIGB O=C(CNc1ccc(F)cc1)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21 33408708 GWGDSETVVLSIMS-YHECHFPNSA-N 389.430 4.282 50 40 GIGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCc1ccccc1Cl)[C@H](Br)C2=O 100868281 DGRQQFSPTYGWLX-BVGQSLNGSA-N 398.728 4.115 50 40 GIGB CCCOc1ccc(C(=O)N/N=C(\C)c2c(OCC)cccc2OCC)cc1 216069853 NHAGGQKFAUSMQU-XQNSMLJCSA-N 384.476 4.427 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Br)cc1 903693 ZWPHMHUTEKDOQO-GIJQJNRQSA-N 383.698 4.345 50 40 GIGB Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2)cc1 4177278 WDIIUKVTLOCPMY-HSZRJFAPSA-N 384.435 4.498 50 40 GIGB C/C(=N/NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(C#N)cc1 6562007 HRMWPGUZMBQWEK-PKAZHMFMSA-N 394.434 4.016 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1Br 7158127 MXRPITCMVOGECE-HAIRLQBDSA-N 377.282 4.060 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c(C)c1 7610112 GGKXDZPFFHFNAR-FVIRYLMMSA-N 377.488 4.446 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 58900654 GKAXFCKTMPGOLV-BUVRLJJBSA-N 387.439 4.020 50 40 GIGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1O 58928045 IHMPRCKCPWCPCB-YDZHTSKRSA-N 380.831 4.389 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1O 67005909 ILEOIEHMCMROQI-QPEQYQDCSA-N 387.233 4.017 50 40 GIGB C[C@H]1O[C@]1(C)C(=O)[C@@H](Br)[C@@H](Br)c1ccc(Cl)cc1 102673517 HMKVJMOQBUSHGB-ROBVANNZSA-N 396.506 4.286 50 40 GIGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)[C@H](O)c1ccccc1 409360627 PAAODFJYLFPHDH-JHXRPTDYSA-N 394.858 4.103 50 40 GIGB OCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F 642882880 IUPPRNPOYFAMKV-LURJTMIESA-N 396.084 4.176 50 40 GIGB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)c2ccccc2)c1 658029 UZVHLVOVAJBKBI-OEAKJJBVSA-N 386.367 4.023 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)Nc1ccccc1 2801663 BAFSZDDUBBALAG-SRZZPIQSSA-N 383.791 4.454 50 40 GIGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccc(Cl)c(Cl)c1 3255577 PEWYSOIQGJRHPP-VGOFMYFVSA-N 391.254 4.363 50 40 GIGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6899392 ISPRNDYNBCAPPG-NBFDZPTDSA-N 379.416 4.457 50 40 GIGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)c1ccc(Cl)cc1 9668303 MZPKMNPYWCTKRX-YDZHTSKRSA-N 394.814 4.029 50 40 GIGB COc1ccccc1/C=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2 12139967 BKXZZDSIBKMCGU-JLPGSUDCSA-N 375.472 4.069 50 40 GIGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)N1CCOCC1 408759325 CFJPVDPBXZBMTE-CJLVFECKSA-N 398.462 4.185 50 40 GIGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccccc1C(F)(F)F)Nc1ccccc12 2344782 PZDIUWIHHSXCFI-KRWDZBQOSA-N 379.345 4.164 50 40 GIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(Br)cc2)c1 3131981 IXZHJRWSPDSPHR-SRZZPIQSSA-N 389.293 4.410 50 40 GIGB Cc1ccc([C@H]2C(C#N)=C(N)N(c3cccnc3Cl)C3=C2C(=O)CCC3)s1 6815516 XONDEUOABKQTCC-QGZVFWFLSA-N 396.903 4.410 50 40 GIGB CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1C 6960138 SIMZPZZLMPKTEJ-UDWIEESQSA-N 375.266 4.310 50 40 GIGB O=C(Cl)c1ccc(C(=O)Cl)c2c(C(=O)Cl)ccc(C(=O)Cl)c12 100725660 AKIDPNOWIHDLBQ-UHFFFAOYSA-N 377.994 4.356 50 40 GIGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3ccccc3)o2)cc1 408755860 NNBOVINSLPNJRX-DOZBRYHWSA-N 392.455 4.309 50 40 GIGB COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1C 408849085 UKROQJCRQSIBEH-JMIUGGIZSA-N 387.233 4.276 50 40 GIGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)O)C(=O)Nc1cccc(Cl)c1 409052866 BAXNYAHHEXWZPL-WUXMJOGZSA-N 391.210 4.002 50 40 GIGB Cc1n[nH]c2c1[C@H](c1ccc(-c3cccc(C(F)(F)F)c3)o1)C(C#N)=C(N)O2 818758 PMXAQWDHBFMYGP-INIZCTEOSA-N 386.333 4.215 50 40 GIGB Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c3ccccc32)cc1 1095571 LNIJCRQRWNRDDS-IMEWXKHHSA-N 399.494 4.200 50 40 GIGB CC1(C)Cc2ccccc2[C@](C)(C(=O)NN=C(c2ccccc2)c2ccccc2)N1 6307852 WAOLDCYPJRGYPN-AREMUKBSSA-N 397.522 4.395 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(F)cc1 7894327 PRQNQGWGXUNNBI-UFFVCSGVSA-N 387.754 4.411 50 40 GIGB CCC/C(=N/NC(=O)COc1ccc(C)cc1Br)c1ccccc1 13940101 PXCGSXCUFROIFT-FXBPSFAMSA-N 389.293 4.457 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 59419183 NKSVKNFIVMQQGK-AFUMVMLFSA-N 393.874 4.481 50 40 GIGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 100302612 RGQYIHWAELFPRT-ABZVSAKDSA-N 385.395 4.270 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3C)c2C)cc1 408586900 CXRDLWWMPQDMRZ-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB COc1ccc(C(F)(F)F)cc1C(=O)[C@@H](Br)CBr 575360951 PHLZAHNWXBGZBY-QMMMGPOBSA-N 389.993 4.055 50 40 GIGB CCCCOc1ccc(C(=O)N/N=C/[C@H](C)Cc2ccc3c(c2)OCO3)cc1 4651695 WEWCCFGLMNKOCV-BRABVMKYSA-N 382.460 4.189 50 40 GIGB COc1ccc(OC)c(/C(C)=N\NC(=O)c2cc3cc(Cl)ccc3n2C)c1 4682605 WVTAUHGYKGCIHB-UUYOSTAYSA-N 385.851 4.003 50 40 GIGB C=CCn1c(-c2ccc(OCC)cc2)cs/c1=N\NC(=O)Nc1ccccc1 5185812 ZZRIVSNHSYUJLZ-FLFQWRMESA-N 394.500 4.439 50 40 GIGB C[C@@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 35518670 JUZYWIFOYRIFAM-VVZNPABPSA-N 386.411 4.170 50 40 GIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 107820792 ABCWAXJASHJYTQ-KEBDBYFISA-N 378.413 4.363 50 40 GIGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)Sc1nc2ccccc2[nH]1 408599642 YBCDRBPZPBATDG-GHXNOFRVSA-N 382.401 4.145 50 40 GIGB Cc1ccccc1CSCC(=O)N/N=C/c1cc(Br)c(C)o1 408867988 MTABWCPIWMIQPM-QGMBQPNBSA-N 381.295 4.042 50 40 GIGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 409366638 XLGLBNYXIYFHFA-LPYMAVHISA-N 377.400 4.164 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCCN1CCCCC1 1470238 MLVHOPHJLDWRCF-SAPNQHFASA-N 383.879 4.109 50 40 GIGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 4106810 YAHAQZBHORLGGD-ZMOGYAJESA-N 375.394 4.378 50 40 GIGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1cc2ccccc2nc1Cl 4870934 IYYJBJWYQMCHRJ-KRWDZBQOSA-N 399.841 4.496 50 40 GIGB CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)cc1[N+](=O)[O-] 5334514 MXFVQJDKRMGQFM-KRWDZBQOSA-N 392.440 4.094 50 40 GIGB Cc1ccc(C(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)s1 7393430 YXWZMLXGSNASTN-GIJQJNRQSA-N 384.501 4.464 50 40 GIGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 8558493 DOKBTISFOIMHDB-UFFVCSGVSA-N 378.259 4.352 50 40 GIGB CCOc1ccc(/C=N/NC(=O)Cn2cc(C#N)c3ccccc32)c2ccccc12 634880 NUQRANNXDGQAPC-VULFUBBASA-N 396.450 4.215 50 40 GIGB CC(C)(C)C(=O)N[C@H](C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1 3096278 WDLGKHUJFIQHMD-KRWDZBQOSA-N 398.270 4.293 50 40 GIGB COc1cccc(/C(C)=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 5163977 KFOFTCHRGZRYCJ-JVWAILMASA-N 396.450 4.459 50 40 GIGB CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 408530468 JLRWCHDLEWKFEN-NDENLUEZSA-N 375.812 4.191 50 40 GIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)o1 408721863 ARCWRJYWRSRUEI-CGXUKVIWSA-N 397.431 4.140 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(O)ccc3ccccc23)cc1 408883971 VKTDBMTVXJOJGV-GHRIWEEISA-N 386.407 4.268 50 40 GIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)o1 408960868 OZLBHZNUGPNSQJ-SSDVNMTOSA-N 382.803 4.371 50 40 GIGB COc1cccc2cc(C(=O)N/N=C/c3cc(C)n(-c4ccccn4)c3C)oc12 4704237 IFBBEIKOUGHHIT-ZMOGYAJESA-N 388.427 4.008 50 40 GIGB COc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccccc3)s2)cc1 5907790 FFSKVADJKHVRMM-BOPFTXTBSA-N 375.453 4.288 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 6710767 DBOMBZAZHRDYSD-FYJGNVAPSA-N 396.472 4.420 50 40 GIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(F)c3)c2C)cc1 6935034 HLSMTONJLPZFNP-ZVHZXABRSA-N 379.435 4.396 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@H]2C[C@@H](c3ccccc3)CC=C12 13110735 BFDLPNAMAQGGCB-RBDMOPTHSA-N 377.451 4.069 50 40 GIGB COc1ccccc1N1CCN(C(=O)CCCC[C@H]2CCSS2)CC1 61468295 QPKOQQIDLDFWJO-INIZCTEOSA-N 380.579 4.058 50 40 GIGB biogenic COc1c(Cl)cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1Cl 408887676 QIVJZRJJCHWDOO-DNTJNYDQSA-N 387.650 4.185 50 40 GIGB C[C@H](SCc1ccccc1)C(=O)NN=C1CCN(Cc2ccccc2)CC1 409348217 RSTJYDLYRDGKBG-SFHVURJKSA-N 381.545 4.077 50 40 GIGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c21 985628 RRZXENAIFUIELT-HXUWFJFHSA-N 394.434 4.457 50 40 GIGB ClCCN1CCC2(CC1)SSC1(CCN(CCCl)CC1)S2 1649029 WJFXFQAFETXTPN-UHFFFAOYSA-N 387.467 4.176 50 40 GIGB O=C(CCn1c2ccccc2c2ccccc21)N/N=C\c1ccc([N+](=O)[O-])cc1 33340083 RRRQXWKKNWGRLJ-HAHDFKILSA-N 386.411 4.243 50 40 GIGB CC1(C)CC(NC(=O)[C@]23CC[C@@](C)([C@@H]2Br)C3(C)C)CC(C)(C)N1 100848711 VEOCQHPHVDVKDX-AGRHKRQWSA-N 385.390 4.002 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(CC)CC)cc2OC)cc1 408743139 DYBUWPMSBZHHSU-JXAWBTAJSA-N 393.487 4.486 50 40 GIGB COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 985281 CJSYUNISXWSYQL-LHSJRXKWSA-N 390.414 4.043 50 40 GIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 4502728 ISHADOXRADWSES-NJDFMEINSA-N 377.853 4.020 50 40 GIGB CC1=C(C#N)C(=O)N=C(O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 4503138 OSQAREPRTBDRQW-GHXNOFRVSA-N 382.759 4.018 50 40 GIGB O=C(N/N=C/c1cccc(F)c1)c1ccc(N/N=C/c2cccc(F)c2)cc1 5119556 VFFITGJKPWTKPZ-GUJRAXHGSA-N 378.382 4.175 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OC 7889859 DOMIHBFGCFEVTM-OEAKJJBVSA-N 397.862 4.302 50 40 GIGB O=C(NNc1ccc(Cl)c(Cl)c1)c1cccc(OC[C@H]2CCCO2)c1 32903147 WDQRRAKJMHBWBU-OAHLLOKOSA-N 381.259 4.308 50 40 GIGB COc1ccc(Cl)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 33611901 MPWPZJWKJODEES-DJKKODMXSA-N 389.820 4.235 50 40 GIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1 408925972 VIFPFPKITQEGBN-IZZDOVSWSA-N 392.198 4.456 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)cc1[N+](=O)[O-] 408995025 KULMHKLHYCVUIJ-XKZIYDEJSA-N 376.416 4.075 50 40 GIGB C/C(=N\NC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccc2c(c1)OCCO2 7156192 YSKUXOUPKITWSC-LFVJCYFKSA-N 389.455 4.019 50 40 GIGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc(C)c(C)c3)cc2)cc1 23416881 LGVQBHLHRPFWLW-UHFFFAOYSA-N 394.496 4.202 50 40 GIGB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=S)Nc1ccccc1 32579243 VBLRYQBXZUPCBZ-INIZCTEOSA-N 391.496 4.139 50 40 GIGB C/C(=N\NC(=O)c1cc(Cl)ccc1Cl)c1cccc(N2CCOC2=O)c1 98055523 YBGAHKGDBHEZSR-SRZZPIQSSA-N 392.242 4.104 50 40 GIGB N#CC1=C(SCc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccco1 409125290 MZNIXHQDKUZIMH-ZDUSSCGKSA-N 389.274 4.314 50 40 GIGB COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 8837380 PSJJULRNWOXCGO-RJABIYPMSA-N 380.835 4.168 50 40 GIGB CC(C)/C(=N\NC(=O)c1cccc(I)c1)c1ccccc1 13477436 GMDSKHUCJAFKFH-KNTRCKAVSA-N 392.240 4.081 50 40 GIGB COc1cccc([C@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)c1 20029499 DGDREDSFOWNCSO-GOSISDBHSA-N 383.517 4.043 50 40 GIGB aggregator Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C 28216258 QFRVCXWMUVZWQY-ZVHZXABRSA-N 375.472 4.240 50 40 GIGB CN(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1 59334579 VHALPQNYEBFCCF-XFFZJAGNSA-N 379.641 4.358 50 40 GIGB CCn1c(C)nc2cc(C(=O)N/N=C3/CCSc4ccc(F)cc43)ccc21 96681391 ZEHWGFTVFOPHSH-KQWNVCNZSA-N 382.464 4.134 50 40 GIGB CCOC(=O)C[P@](=O)(c1ccccc1)c1ccccc1OCc1ccccc1 97959780 JFRKYEHAZVWCAQ-NDEPHWFRSA-N 394.407 4.143 50 40 GIGB O=C(Nc1ccc(Cl)cc1)ON1C(=O)c2ccccc2O[C@H]1CCCl 2150040 YHIHXGLBLWTPIQ-HNNXBMFYSA-N 381.215 4.293 50 40 GIGB O=P(Nn1cnnc1)(c1cccc2ccccc12)c1cccc2ccccc12 3213978 ZNARBKVXZFPHLY-UHFFFAOYSA-N 384.379 4.057 50 40 GIGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(F)cc1 4671975 ZFMZOLCWHWVZDE-WSDLNYQXSA-N 385.236 4.434 50 40 GIGB CCCOC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)CC(=O)N1 9015100 KJCFKPXNEAFYLF-NSHDSACASA-N 399.299 4.018 50 40 GIGB CCCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC 20195142 UKUASIXCKQCHFG-YDZHTSKRSA-N 388.895 4.447 50 40 GIGB CCOc1ccc(OCc2ccc(C(=O)N/N=C3/C[C@@H]4C=CC[C@@H]34)cc2)cc1 38437081 JFJINYVVMDKCOK-YVFDKFLASA-N 376.456 4.346 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C([C@@H]1c1ccccc1)[C@H](C)CC(C)(C)C2 221956256 VZDYFOCXVQNZFM-VNOPPTIDSA-N 389.499 4.346 50 40 GIGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408812748 XFJKZPLZFMQCPJ-NTCAYCPXSA-N 381.229 4.007 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Br)s3)cc2c1 409185026 PSQIMOGNABRRES-NVMNQCDNSA-N 393.262 4.419 50 40 GIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)n1 409381799 JSLKEWOMWSAEOV-MDWZMJQESA-N 380.335 4.055 50 40 GIGB Cc1cc2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c(Cl)nc2cc1C 899566 XTONFGXWKTUBBP-SFHVURJKSA-N 379.847 4.320 50 40 GIGB CCCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OC)cc1 2190172 KBJLVTSAIJWRMZ-XQNSMLJCSA-N 381.476 4.368 50 40 GIGB O=C(CSc1nc2ccccc2o1)NN=C(c1ccccc1)c1ccccc1 3317552 XOEIRGVCABKUAO-UHFFFAOYSA-N 387.464 4.489 50 40 GIGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc2ccccc2o1 33337568 HOXIQCPCVKCEJH-MTJSOVHGSA-N 375.340 4.365 50 40 GIGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1O 107850776 AOXUNZIYBCPENY-QRVIBDJDSA-N 380.831 4.389 50 40 GIGB COc1ccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)cc1OC 408728119 VTYSNFVFTNIKAM-YDZHTSKRSA-N 394.496 4.241 50 40 GIGB COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cc2ccccc2o1 409239372 PRBSEWIAGMVHBP-HAHDFKILSA-N 377.444 4.196 50 40 GIGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1cc(Br)cs1 6813961 CDFIGXLYMUSUBW-CYBMUJFWSA-N 399.273 4.119 50 40 GIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 7386377 XDEGZAQJQKDVGH-FLVDCRJSSA-N 395.503 4.237 50 40 GIGB Cc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N32)cc1 12275490 JKGAKMTYDGZAKA-UTKZUKDTSA-N 396.899 4.292 50 40 GIGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1C 13140651 GTBHGQCXFZQDMX-KOEQRZSOSA-N 386.499 4.458 50 40 GIGB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)[C@@H](C)Cl)c1C 14405642 RKGVWBBMTSAWDY-GFCCVEGCSA-N 376.888 4.118 50 40 GIGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)NCc1ccccc1 33414534 WVBJIVIIESXGFP-WJDWOHSUSA-N 394.837 4.197 50 40 GIGB COc1ccc(Br)cc1/C=N/NC(=O)CSc1ccc(C)cc1 57663437 HHDBDAYGVUKYDF-VXLYETTFSA-N 393.306 4.009 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)[C@H]3[C@@H]4CCCC[C@]43C)o2)c([N+](=O)[O-])c1 101026215 IIXBOOKEPNZPRD-FGFLLGFSSA-N 397.431 4.140 50 40 GIGB CN(C)NC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 107730579 QJMCCXNKFPAEMV-UHFFFAOYSA-N 380.498 4.293 50 40 GIGB COc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccc(C)s3)c2)cc1 704614 SBKCPZBSBAXNFT-LPYMAVHISA-N 393.468 4.081 50 40 GIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 841913 XEHZSFGOUIXKAN-KRWDZBQOSA-N 380.831 4.122 50 40 GIGB O=C(N/N=C/c1ccc(Br)s1)c1ccccc1Br 5678927 MEABXBAFVXVJHG-VIZOYTHASA-N 388.084 4.037 50 40 GIGB Cc1ccc(CNC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(Cl)cc2)cc1 5728568 YVVBUYCQZHBQPU-YVLHZVERSA-N 376.847 4.262 50 40 GIGB Cc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)c(O)n2c(nc3ccccc32)c1C#N 6420550 ABUORNLGHYDRAT-GXDHUFHOSA-N 390.406 4.314 50 40 GIGB CC1=C[C@]2(Nc3cc(-c4ccccc4)cc(Br)c3O2)C(C#N)=C(N)O1 40546278 BCMJVGOHLLYVHS-LJQANCHMSA-N 396.244 4.245 50 40 GIGB CC(C)(C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 58194480 ZXUBYDPEPCHXSE-UHFFFAOYSA-N 399.450 4.234 50 40 GIGB COc1ccc(CC(=O)N/N=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cc1 208464922 OMTCBWGIOKKGJV-MYYYXRDXSA-N 391.515 4.328 50 40 GIGB N#C/C(=C\c1ccc(I)o1)C(=O)Nc1cccc(Cl)c1 408734481 GXWLQDDZGCODRU-RMKNXTFCSA-N 398.587 4.083 50 40 GIGB CCOc1ccc(/C=N/NC(=O)COc2ccccc2Cl)c2ccccc12 408912010 KIMJQCUVECMDDV-YDZHTSKRSA-N 382.847 4.421 50 40 GIGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)cc1 9089582 AIEGDBMGEAQQNH-UFFVCSGVSA-N 389.242 4.156 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 32608420 HCVKSPPYIXOYPK-PCLIKHOPSA-N 396.450 4.312 50 40 GIGB N#C/C(=C/c1c[nH]c2ccc(Br)cc12)C(=O)NCCc1ccccc1 35393895 QONIZHIYGKGENI-GDNBJRDFSA-N 394.272 4.196 50 40 GIGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc(Cl)c(Cl)c2)cc1 864620 MRXKLPZKNHRTHR-KIHMUJGBSA-N 380.275 4.343 50 40 GIGB O=C(COc1ccc(Cl)cc1Br)N/N=C/C=C/c1ccccc1 3025084 VLDYSLWBYKQLTK-KCHOUBKZSA-N 393.668 4.297 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1C[C@@H]1c1ccccc1 5531913 UGOFNVAWWWTSKR-FNTCUZDCSA-N 375.384 4.109 50 40 GIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 5707795 WOZZASBOOIEZKX-GHRIWEEISA-N 380.444 4.428 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC 6942065 IBFLHPLWRLGJSZ-LPYMAVHISA-N 382.416 4.003 50 40 GIGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cccnc1 6962581 LGKUPRVHUKUPFQ-FOKLQQMPSA-N 398.919 4.385 50 40 GIGB C/C(=N\NC(=O)CCc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 17079968 HPZONOFRCINASJ-LFVJCYFKSA-N 391.496 4.473 50 40 GIGB Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(F)cc2)c1 408995996 GIGXRXFFLOYGSR-ZVHZXABRSA-N 375.403 4.150 50 40 GIGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)c1 709830 QGUZREIGQGHJCL-KRWDZBQOSA-N 391.496 4.014 50 40 GIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2F)sc2c1CCCC2 1453386 YSGQJFVPGCEMKO-JLHYYAGUSA-N 384.432 4.098 50 40 GIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(SC(F)F)cc1 3324143 BFVCQJNWWIGDJF-FMIVXFBMSA-N 375.356 4.455 50 40 GIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1)c1cccs1 5771547 VKCJISJFUYBZMM-CIAFOILYSA-N 383.860 4.418 50 40 GIGB COc1ccc(-c2n[nH]c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 8382609 DAASRNKQQKADOA-FQEVSTJZSA-N 394.434 4.457 50 40 GIGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 9244001 KHNHTLDRWYFLRB-QGZVFWFLSA-N 392.846 4.347 50 40 GIGB Cc1cccc(OCC(=O)N/N=C\C(Br)=C\c2ccccc2)c1C 30843341 XLSQPEUUVXNBFT-PMECYBTQSA-N 387.277 4.220 50 40 GIGB COc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCc1ccccc1Cl 33338855 PUFVXKUYXYUMEN-MSXFZWOLSA-N 395.846 4.087 50 40 GIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccco3)cc2)c1 59282113 FDPJTAWLUGYGGL-FOWTUZBSSA-N 388.379 4.053 50 40 GIGB N#C/C(=C/Nc1ccc(I)cc1)c1nc2ccccc2o1 100525804 WRYXXDKAICUGEW-KHPPLWFESA-N 387.180 4.409 50 40 GIGB CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)Cc3ccccc3)c2c1 409008675 ZQSNMCSMJVSZFT-JLPGSUDCSA-N 376.456 4.330 50 40 GIGB N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1cccc(Br)c1 409123813 IEJKEILMCMDXOV-YBEGLDIGSA-N 387.252 4.489 50 40 GIGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1ccccc1Cl 409378293 OOWIRMBLQKMQEE-ZMOGYAJESA-N 380.879 4.310 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4ccccc4o3)o2)cc1 1100203 UJERDFYUUQMIIH-YDZHTSKRSA-N 388.379 4.243 50 40 GIGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Br)s1 1434122 MAGIYVHBVQPUIE-PCYPHTAMSA-N 387.686 4.082 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1OCC 4714662 JPHMNWMUNOCGGT-BDFKGGEMSA-N 398.528 4.422 50 40 GIGB CCc1cccc2c(C(=O)COC(=O)/C(C#N)=C/c3ccc(OC)cc3)c[nH]c12 5270462 JVDDNESHECCKJE-GZTJUZNOSA-N 388.423 4.072 50 40 GIGB Nc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 6971574 FTHZAOBALNOKBO-ZMOGYAJESA-N 379.847 4.265 50 40 GIGB C=CCn1c(C)c(/C=N/NC(=O)Cc2ccc(OCC)cc2)c2ccccc21 10315689 TZRGLQAKKFWNGD-LFVJCYFKSA-N 375.472 4.227 50 40 GIGB CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccs2)/C(=C/c2cccs2)C1 19526845 QJAKHWIVXMCRHK-FUNAXGEOSA-N 381.526 4.290 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(OC)cc1 38585792 KQJAFDMKMFAICP-IWIPYMOSSA-N 392.455 4.166 50 40 GIGB FC(F)(F)Oc1cccc2c1[C@H]1O[C@@H]2[C@@H](Br)[C@@H]1Br 95486414 HSIDXHJLTRZTTC-AATLWQCWSA-N 387.977 4.238 50 40 GIGB O=C(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97949850 ACILOBIGHMHPBG-UHFFFAOYSA-N 376.947 4.011 50 40 GIGB C[C@]12[C@@H]3[C@H]4[C@H]5C[C@@H]([C@H]4[C@H]1Br)[C@@H]2[C@H]5C3(Br)Br 195528773 KEDQYEQDYKQXQJ-QZCDZGDFSA-N 396.948 4.014 50 40 GIGB COc1ccc(-n2cccc2/C=N/NC(=O)c2cccc(Br)c2)cc1 408949219 ABSJAKZJVIHNCA-FYJGNVAPSA-N 398.260 4.012 50 40 GIGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Br)o1 408994974 KBMCGDBLNKFYSV-YFEDRJBBSA-N 387.686 4.326 50 40 GIGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)Nc1ccccc1 2133779 AGOBQPNNJQEQLV-UHFFFAOYSA-N 382.247 4.005 50 40 GIGB CN(C(=S)SCC(=O)C(C#N)=C1Nc2ccccc2N1)C1CCCCC1 5790137 DRDRETKIKBUNRK-UHFFFAOYSA-N 386.546 4.111 50 40 GIGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1O 6380689 RXHQAXUDDXJULZ-WDZFZDKYSA-N 395.171 4.209 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 8169080 QNYDBXHECJFAEI-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB COc1ccc(/C(C)=N\NC(=O)COc2cc(C)ccc2C(C)C)cc1OC 33294871 BOYIYNQMNCKMLW-KQWNVCNZSA-N 384.476 4.055 50 40 GIGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccccc4Cl)nc3c2)C1 57327076 FQLMTIIIXIVIJU-SNVBAGLBSA-N 375.211 4.267 50 40 GIGB CC(C)N1C(=O)/C(=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21 103605920 MAIGJXQTWDIQOV-YYDJUVGSSA-N 397.434 4.475 50 40 GIGB CCOC(=O)NN(C(=O)OCC)c1ccc(/N=N\c2ccc(OC)cc2)n1C 104310753 AYHQWLTYYLIDSW-VXPUYCOJSA-N 389.412 4.073 50 40 GIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408819010 ZLLXZVMBOSPFNO-XNHPLOEXSA-N 382.467 4.383 50 40 GIGB N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1F 720242 HVNGJIYUJAQBHW-LJQANCHMSA-N 395.384 4.409 50 40 GIGB CCOC(=O)CSC1=C(C#N)[C@@H](CC(C)C)C(C(=O)c2ccccc2)=C(C)N1 2361984 VUFKSCUPROFHHT-QGZVFWFLSA-N 398.528 4.440 50 40 GIGB C/C(=N\NC(=O)c1ccc(F)c(F)c1)c1ccc(N2CCCCC2)c(F)c1 12362471 VXEUYPLZDFMKEE-ZMOGYAJESA-N 375.394 4.248 50 40 GIGB Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c(Br)c1 44167168 RJLKFLAIGAJJOE-UHFFFAOYSA-N 393.237 4.187 50 40 GIGB Cc1ccc(SCC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1 58961927 MNVCYZHJIZPSPL-WSDLNYQXSA-N 398.919 4.385 50 40 GIGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OCC 409145481 IKSISTKLWHEZJV-CAUNFOBBSA-N 386.517 4.423 50 40 GIGB CC(C)Oc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br 409188787 ALKPLQZGFFETPA-ZROIWOOFSA-N 377.282 4.202 50 40 GIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(OC)c1 409235145 NXFMKYCXRCYIDV-LCJWNIEWSA-N 377.488 4.326 50 40 GIGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(Cl)cc1Cl)Nc1ccccc12 989258 QYYDIEZXNQECQL-KRWDZBQOSA-N 380.238 4.452 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)cc1 1453867 HJMUDYKVKVPTQX-QGOAFFKASA-N 378.428 4.196 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1OCc1ccc(F)cc1 2502649 VWBYFVCAKSNRHJ-JOCHJYFZSA-N 388.398 4.328 50 40 GIGB O=C(N/N=C/c1cccc(O)c1)c1ccc(COc2cccc3cccnc23)cc1 3262637 MQTRFMUMJAPFEP-CVKSISIWSA-N 397.434 4.283 50 40 GIGB Cc1ccc(C(=O)[C@H](C)OC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1C 5229488 YJITVOFPTTWXDW-NNIWKIFQSA-N 376.456 4.091 50 40 GIGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC 7212221 JSUKNXCNKSQUFX-CXUHLZMHSA-N 377.400 4.135 50 40 GIGB COc1ccccc1NC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1cccs1 13739349 QPUVPYGFTQNREC-QGZVFWFLSA-N 383.498 4.021 50 40 GIGB COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)OC(C)(C)C)c2)cc1 13842588 ADOPWRBWGYGXHT-RKSCBCEVSA-N 396.443 4.173 50 40 GIGB N#C/C=C1/Sc2ccccc2C(=O)N1CC(=O)c1ccc(Br)cc1 96993959 ADRYORWZNSLRIT-RQZCQDPDSA-N 399.269 4.245 50 40 GIGB Fc1cc(CBr)cc(I)c1Br 169795571 UHDYCJLXBACCAB-UHFFFAOYSA-N 393.819 4.088 50 40 GIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)cc1 408812968 CGTFICOVMXANDQ-ATVHPVEESA-N 376.387 4.318 50 40 GIGB N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1 409192544 DTGBRCDZWDRXHX-AQTBWJFISA-N 391.427 4.140 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1OCc1ccc(F)cc1 2502648 VWBYFVCAKSNRHJ-QFIPXVFZSA-N 388.398 4.328 50 40 GIGB CCOc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(C)o4)CC(=O)N3C2)cc1 4412406 DHONBKXMXGFPNL-QGZVFWFLSA-N 395.484 4.206 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(Br)c2)cc1 5953639 QWHLDRCLPXDKSE-LCYFTJDESA-N 387.233 4.099 50 40 GIGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccccc1O 14134726 DXOYBWNTAQZRSD-YDZHTSKRSA-N 380.831 4.389 50 40 GIGB COc1ccccc1NC(=S)N/C=C(\C#N)C(=O)c1ccc2ccccc2c1 104305103 IMGVPTMRGAZRFS-NBVRZTHBSA-N 387.464 4.425 50 40 GIGB CCOc1ccc(/C(C)=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 408534053 UQNXJOSPGAGUMI-ZMOGYAJESA-N 379.382 4.056 50 40 GIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(F)cc2)c1C 408692054 CIZYINNMELHUHF-DHRITJCHSA-N 378.451 4.104 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC#N 408990685 YDQTYWBAWFULLN-YBEGLDIGSA-N 395.846 4.495 50 40 GIGB O=C(COc1cccc2cccnc12)N/N=C\c1ccc(-c2ccccc2)cc1 409021924 AJHRHLTZTGPPAV-QQXSKIMKSA-N 381.435 4.431 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC)c(OCC)c3)cc2c1 409185207 UGIHMNKYRIEJJK-UCQKPKSFSA-N 396.443 4.393 50 40 GIGB CC(C)Oc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)cc1 1826952 UENXNXIKOQKZSP-ZMOGYAJESA-N 387.443 4.109 50 40 GIGB COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)cc1OC 3272739 KRJUHRJTDFDKNU-XMHGGMMESA-N 392.499 4.267 50 40 GIGB COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl 6406541 QDTTYZPXHAVJDC-DJKKODMXSA-N 389.820 4.235 50 40 GIGB C/C(=N\NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)c1ccc(O)cc1 9110111 DPAFCWPVZLEKIL-UFFVCSGVSA-N 389.242 4.243 50 40 GIGB N#CC1=C(/N=C(\S)NC(=O)c2ccc(F)c(F)c2)S[C@@H]2CCCCC[C@@H]12 36612575 GPZRBEVZRYKEDC-XHDPSFHLSA-N 393.484 4.411 50 40 GIGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccccc1Br 58915645 AZTPXEPJFXXWMG-DJKKODMXSA-N 397.725 4.486 50 40 GIGB COc1cc(OC)c(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Cl 408589020 KJLCEFDZIHRDHW-YDZHTSKRSA-N 382.847 4.203 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OCC 408862606 GXHFJDXXSMRBLD-LPYMAVHISA-N 390.867 4.057 50 40 GIGB Cc1ccc(S[C@H](C)C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1 409331223 MVKYUNARCXFZEY-GOSISDBHSA-N 381.545 4.244 50 40 GIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccccc2Cl)o1 2332886 RSHPMYKXUBLXQW-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB O=C(CCCCl)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 5024738 YZVQWUNDTXXXCU-UHFFFAOYSA-N 391.855 4.466 50 40 GIGB Cc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC3CC3)c3ccccc32)cc1 5659242 UAQQSJFGNHVETI-NBVRZTHBSA-N 385.467 4.214 50 40 GIGB O=C(Cc1cn2ccsc2n1)N/N=C/c1c2ccccc2cc2ccccc12 12564113 YOTNSHIUMQMWAR-YDZHTSKRSA-N 384.464 4.395 50 40 GIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1 16739493 OFOYVPFFZHQQJQ-WYMPLXKRSA-N 382.427 4.112 50 40 GIGB COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)c1ccc(Cl)cc1 104813343 NLJRZTNTFZQACP-SSDVNMTOSA-N 394.258 4.137 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 408568586 VHQSSIBZYCLGKQ-LPYMAVHISA-N 377.400 4.164 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(F)cc1 408802407 ZVWLDOQDRGWQLR-RCCKNPSSSA-N 387.458 4.499 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2O)sc2c1CCCC2 947071 YIQTWTYRBFHRIF-SDNWHVSQSA-N 396.468 4.055 50 40 GIGB Cc1ccc(C(=O)N/N=C(\c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 3216278 KVVTZEQDRWMGLA-HIXSDJFHSA-N 382.423 4.227 50 40 GIGB COc1ccccc1[C@@H]1CC(=O)N2CN(C3CCCCC3)CSC2=C1C#N 20029504 SDWLFDRFZYMMMR-KRWDZBQOSA-N 383.517 4.043 50 40 GIGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1cccc(Cl)c1 59249277 JEECGOPDHILIRL-VXLYETTFSA-N 396.672 4.060 50 40 GIGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc(Cl)c1)[C@H](Br)C2=O 100868241 DXTKBFJYTILFLZ-CSMYWGQOSA-N 384.701 4.437 50 40 GIGB COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1O 408745125 JWFIGPFIXSVAJP-QPEQYQDCSA-N 387.233 4.017 50 40 GIGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)o1 408792006 GMEQLVSKOMFTQN-NBVRZTHBSA-N 387.439 4.470 50 40 GIGB Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccccc2N)c2ccccc21 409374250 YRYPGXSPGRJHGL-VULFUBBASA-N 382.467 4.344 50 40 GIGB O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1cc2ccccc2o1 3352083 SBQFKHJHFWKDEC-UHFFFAOYSA-N 397.390 4.316 50 40 GIGB Cn1cccc1CC(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 4505321 NZYYZXSZVJAJQD-NHDPSOOVSA-N 376.243 4.285 50 40 GIGB Cc1ccc(C)c(OCCOc2c(Cl)cc(Cl)cc2/C=N/NC(N)=O)c1 4551002 RXTABGFDGIZBEV-LSHDLFTRSA-N 396.274 4.070 50 40 GIGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cccc(Cl)c1Cl 4551799 JXIOAEMXYUSENT-AWEZNQCLSA-N 384.222 4.053 50 40 GIGB Cc1ccc(C)c(N2C(=O)CS/C2=N\NC(=O)c2ccccc2Cl)c1C 4782600 YEMLYUIEIOIOMW-QOCHGBHMSA-N 387.892 4.046 50 40 GIGB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 5490381 AHBZFMUEPAOYLD-IBGZPJMESA-N 392.846 4.169 50 40 GIGB N#C/C(=C\c1c(F)cccc1F)S(=O)(=O)c1ccc(Br)cc1 7000845 MSVZPLCFEYDONA-XYOKQWHBSA-N 384.201 4.066 50 40 GIGB CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc([C@H](C)CC)cc1 8733031 TZPDXQLSKRTVGU-CZUORRHYSA-N 383.330 4.209 50 40 GIGB Cc1ccc(-c2n[nH]c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 20033301 XGHVINNUYNVHNF-HNNXBMFYSA-N 380.810 4.396 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OC)cc1 33471347 PTOYTYNCUDGGBC-LCYFTJDESA-N 387.233 4.012 50 40 GIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1I 57395659 SVFPHKZAFVPZHZ-UVTDQMKNSA-N 388.208 4.145 50 40 GIGB Cc1ccc(CSCC(=O)N/N=C/c2ccccc2Br)cc1 58915560 GXWZBONIZUJORU-VXLYETTFSA-N 377.307 4.141 50 40 GIGB Nc1ccccc1C(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 408718746 DUEWCQVFJWHJKG-CFRMEGHHSA-N 379.847 4.265 50 40 GIGB N#Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)c(F)c1 408968319 VIOVEQUGHYGEJJ-LGJNPRDNSA-N 391.377 4.179 50 40 GIGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC1CCCC1 409189201 FLOBVZFEFCQWRO-AQTBWJFISA-N 391.427 4.140 50 40 GIGB C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC)cc1 2678398 VNWRZEHQRWZJCN-CYVLTUHYSA-N 398.466 4.147 50 40 GIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1 4813978 ZUOFXXPFYWAAKC-YQBZUEQFSA-N 381.432 4.303 50 40 GIGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC(=O)C[C@H]1c1ccccc1 6496094 POEHCWHYSFOBLK-INIZCTEOSA-N 397.887 4.051 50 40 GIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C)cc3C)c2C)cc1 20194804 MLEYQVSJADBTMW-MFKUBSTISA-N 389.499 4.412 50 40 GIGB Cc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)n1 686869 SXTXZASFPVACEZ-RVDMUPIBSA-N 376.441 4.383 50 40 GIGB COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc(C)cc2)cc1 2494624 CRQRNXOUAVXWRS-JTSKRJEESA-N 386.451 4.212 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NC3CCCC3)o2)cc1 4502025 UABIPCJPGPQWEQ-LGMDPLHJSA-N 378.428 4.089 50 40 GIGB Cc1ccccc1N1CSC2=C(C#N)[C@H](c3cccc(F)c3)CC(=O)N2C1 4923513 UJFYICNZRMMZMP-KRWDZBQOSA-N 379.460 4.354 50 40 GIGB CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)N/N=C/c1ccccc1O 6625462 GODLWJWCTCMEJX-CHQVPIALSA-N 390.487 4.329 50 40 GIGB Cn1cc(/C=N\NC(=O)COc2ccccc2-c2ccccc2)c2ccccc21 15938497 FFZBKWILVPARGJ-MYYYXRDXSA-N 383.451 4.374 50 40 GIGB CN(CC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cn1 58428248 ARQALDHZCPGUKK-UHFFFAOYSA-N 394.089 4.275 50 40 GIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 59473315 DTIBQAQPNGGBKK-UMYHVIPVSA-N 389.908 4.319 50 40 GIGB COc1cccc(C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1 83294533 FPWXYKRDACLLBZ-NHDPSOOVSA-N 399.790 4.281 50 40 GIGB O=C(CNC1CCCCC1)N/N=C/c1ccccc1OCc1ccccc1Cl 409377810 LAQDCRPNODNABH-AFUMVMLFSA-N 399.922 4.291 50 40 GIGB COc1ccc(Br)cc1/C=N/NC(=O)Cc1cccc2ccccc12 1439211 BDQFCZCGDINYBD-LPYMAVHISA-N 397.272 4.304 50 40 GIGB CC(C)c1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1893334 JEOAURHGNUUGNF-GOSISDBHSA-N 394.456 4.018 50 40 GIGB CCOC(=O)N/N=C/c1cn(CCOc2ccc(C)c(C)c2)c2ccccc12 2237776 CYMLGIFNHKXWOS-OEAKJJBVSA-N 379.460 4.417 50 40 GIGB C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)c1cccc(C)c1O 4904329 WITMXEUDUPDDKQ-SSDVNMTOSA-N 394.258 4.142 50 40 GIGB CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1 5332633 IEWAGAKRBLGQIS-OBGWFSINSA-N 391.471 4.255 50 40 GIGB N#C/C(=C\c1ccc(-c2nc3ccccc3s2)o1)C(=O)NCc1ccco1 7157133 MUIDTHHCNIOJEX-JLHYYAGUSA-N 375.409 4.373 50 40 GIGB CC1(C)CC(NC(=O)[C@@]23CC[C@@](C)([C@H]2Br)C3(C)C)CC(C)(C)N1 36386836 VEOCQHPHVDVKDX-ZNZDAUKMSA-N 385.390 4.002 50 40 GIGB C/C(=N\NC(=O)[C@]1(C)NC2(CCCCC2)Cc2ccccc21)c1ccccc1 408734080 IFAWBGVHDUTYRI-DMUURETOSA-N 375.516 4.291 50 40 GIGB Cc1ccc(COc2cccc(/C=N/NC(=O)CNc3ccc(F)cc3)c2)cc1 409354037 XBYMFDALHMVWTQ-VULFUBBASA-N 391.446 4.275 50 40 GIGB Cc1ccc2cc([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(=O)[nH]c2c1 876456 NSBPWNYHBMAWBH-OAQYLSRUSA-N 379.419 4.208 50 40 GIGB Cc1ccccc1C(=O)Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1 1429083 DDTDQPRKMQXNDX-ZVHZXABRSA-N 375.403 4.150 50 40 GIGB CCc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 3067997 VQDLEFUGHJMBNA-WSDLNYQXSA-N 392.286 4.425 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c(OC)c1 6044751 PYSQZDRIHLSSPA-ZVHZXABRSA-N 391.471 4.184 50 40 GIGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cccc3ccccc23)n[nH]1 8683431 XXZVEAUUAWXIQV-AFUMVMLFSA-N 379.423 4.475 50 40 GIGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)cc1 408776325 NRWSICWJVBCDOY-ZHZULCJRSA-N 378.520 4.372 50 40 GIGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1C 408963862 BBVMWIRKPIIUGO-OEAKJJBVSA-N 390.443 4.329 50 40 GIGB Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C(/C#N)c1nc2ccccc2[nH]1 408995326 MHOURCVVIVDYSE-GDNBJRDFSA-N 384.399 4.338 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)nc1 409243161 ZHPJUXGQIOUTSR-HAHDFKILSA-N 398.510 4.454 50 40 GIGB O=C(N/N=C/c1ccc(Br)s1)c1cccc(Br)c1 1957789 RUDHLSHMLXQLTC-VIZOYTHASA-N 388.084 4.037 50 40 GIGB Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccsc3)cc2)n1 3219934 DRFMAKNZFWJWME-KEBDBYFISA-N 382.514 4.211 50 40 GIGB O=C(Cc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4702551 HUHLENGFTHPNBO-BUVRLJJBSA-N 392.842 4.252 50 40 GIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)OC(C)C)cc1 9324029 QHASFRFIAZBKLN-CPNJWEJPSA-N 392.455 4.125 50 40 GIGB C/C(=N/NC(=O)c1cc(C)nc2ccc(Br)cc12)c1ccccc1O 14990268 JZWBCLJLPHBCPQ-UUYOSTAYSA-N 398.260 4.165 50 40 GIGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cccc(NC(=O)C2CC2)c1 17079084 YYTCNNGMFDOMGD-AFUMVMLFSA-N 387.439 4.048 50 40 GIGB O=C(Cl)[C@H]1CC(=O)N(c2ccc3oc(-c4ccccc4Cl)nc3c2)C1 57327080 FQLMTIIIXIVIJU-JTQLQIEISA-N 375.211 4.267 50 40 GIGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 103149272 BKZJZFZLJPSXNW-HDBMHMHISA-N 390.409 4.150 50 40 GIGB CC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)cc1 408725794 HXHBJSGWASXFJN-YDZHTSKRSA-N 392.480 4.149 50 40 GIGB CCOc1cc(/C=N/NC(=O)CC#N)ccc1OCc1cccc2ccccc12 4739615 KQGGSBFFMGPUBW-MFKUBSTISA-N 387.439 4.181 50 40 GIGB CC/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1 5787467 QBXHVZNZDAQCAF-LYBHJNIJSA-N 398.503 4.311 50 40 GIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccsc2)C(C#N)=C(N)O3)cc1 5924064 HSOMCMJLCASXIR-INIZCTEOSA-N 378.457 4.145 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCO2 8012106 DEPASENZTAVEGR-FOKLQQMPSA-N 395.846 4.240 50 40 GIGB COc1cccc(/C(C)=N/NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1 12560480 OFFHDOIVNPLDCL-JVWAILMASA-N 396.450 4.459 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3O)o2)cc1Br 14134748 OYLFCMINULCISK-SRZZPIQSSA-N 399.244 4.487 50 40 GIGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(Br)cc2)o1 33629747 UCFUQGZQVWJEHU-WSDLNYQXSA-N 394.228 4.345 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](O)c3ccccc3)c2C)cc1Cl 408590879 QYTPKPDNHPSSNE-HLQTZPMBSA-N 395.890 4.240 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(OC)c1OC 408781091 RLSYLEWDBBSDDD-SXGWCWSVSA-N 396.443 4.045 50 40 GIGB CCOc1ccc2ccc(OCC)c(/C=N/NC(=O)c3ccccc3O)c2c1 409065219 FDIYGHGJENAZBX-OEAKJJBVSA-N 378.428 4.107 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OCc1ccccc1 6583119 IFNCFSRXBDCYCI-HMAPJEAMSA-N 398.462 4.498 50 40 GIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2ccc(Cl)cc2)o1 35198166 WLBUFANYKKPPIA-MTJSOVHGSA-N 383.791 4.201 50 40 GIGB O=C(NNc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)cc1Cl 59417530 ZSQFEKBSCXLIEM-UHFFFAOYSA-N 383.216 4.268 50 40 GIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1)c1ccccc1Cl 59488255 XGTYKBXTPCOPQN-OEAKJJBVSA-N 377.831 4.356 50 40 GIGB COc1cccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c1OC(C)C 100625869 BZCRQLMIFIXKEX-SXGWCWSVSA-N 386.455 4.491 50 40 GIGB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]([C@@H]4O[C@@H]4[C@@H]3Cl)[C@@]1(Cl)C2(Cl)Cl 231182534 ZXFXBSWRVIQKOD-GYLQVYDYSA-N 389.320 4.453 50 40 GIGB in-vitro CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 408598810 JZGMDVHIOSFPIR-LPYMAVHISA-N 377.400 4.299 50 40 GIGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1O 408815063 RKGIYWYZAKDPRZ-NTUHNPAUSA-N 387.233 4.017 50 40 GIGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)COc2ccccc2OC)cc1Cl 409012142 IZLSCOXVRMBKPM-ZDXHCBJDSA-N 390.867 4.055 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1Br 409053055 JQHHBFAZYUWTHI-DJKKODMXSA-N 381.657 4.183 50 40 GIGB CCCOc1cccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)c1 409323884 PWSLURNZMICSEH-KQWNVCNZSA-N 384.476 4.427 50 40 GIGB CC(C)[C@@H](CP(c1ccccc1)c1ccccc1)N[S@](=O)C(C)(C)C 1857795009 GMOUYFKNGKAHND-CJFMBICVSA-N 375.518 4.196 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 954189 KNUXTNCCIIHDHM-GZTJUZNOSA-N 375.453 4.288 50 40 GIGB C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccco1 5164299 PUIHWUBOXXRHKZ-HZHRSRAPSA-N 380.473 4.133 50 40 GIGB C[C@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915641 BXSPCFWJSALCFW-WFVDQZAMSA-N 390.612 4.412 50 40 GIGB in-vitro COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1O 209483887 GQJUEBJLAZTNHF-VGOFMYFVSA-N 391.208 4.378 50 40 GIGB COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 408772413 LKYYFCZUFIYSAR-OYKKKHCWSA-N 395.890 4.449 50 40 GIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1Cl)c1cccs1 1105279 ADLLETYSMAVVOH-CIAFOILYSA-N 383.860 4.418 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)o1 6966991 QOVZSCMZNVSWIE-WYMPLXKRSA-N 375.403 4.494 50 40 GIGB CCOc1ccc(/C=C(\C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OC 7001221 OXRXQTDUGZTZJT-RIYZIHGNSA-N 381.457 4.073 50 40 GIGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OC 7889863 RUBHSPDZPJIFBP-OEAKJJBVSA-N 397.862 4.302 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1cc2c(cc1C)N(C)C(C)(C)C[C@@H]2C 208211659 VHTGEHYVAUWVPK-GCMSVZMUSA-N 379.504 4.490 50 40 GIGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)O)C(=O)Nc1ccc(Cl)cc1 409045041 XTXMWXGKQFAHFM-KPKJPENVSA-N 391.210 4.002 50 40 GIGB N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 720054 YCZRGMOOTNYRSU-QGZVFWFLSA-N 383.423 4.331 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)s2)cc1 4722823 PFDLKLBLOBUMJJ-LUAWRHEFSA-N 377.263 4.455 50 40 GIGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccccc1 13809893 NCQHLSVAXZJBIE-YSMPRRRNSA-N 398.466 4.171 50 40 GIGB CC[C@@H](Br)C(=O)Nc1nc2ccc(N3CCCCC3)cc2s1 20132479 IWIJVSOPKOWVJH-GFCCVEGCSA-N 382.327 4.399 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1[N+](=O)[O-] 28217575 FPHKSQFUDXAUGJ-FSJBWODESA-N 394.406 4.214 50 40 GIGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 59515531 GKINQVBTURAANA-UFFVCSGVSA-N 378.259 4.206 50 40 GIGB CN(C)/C=N/C1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)c2ccc3ccccc3c2O1 100324854 VBGLDLBXDBIYMZ-BTSCWMHGSA-N 397.434 4.418 50 40 GIGB COc1cccc(/C=N\NC(=O)c2ccncc2)c1OCc1ccc(Cl)cc1 409090683 NGKOCQHHYAQMFP-CFRMEGHHSA-N 395.846 4.087 50 40 GIGB Cc1c(Cl)cccc1NC(=S)NNC(=O)c1ccccc1Br 1410843 QMFBXWIXGZLCON-UHFFFAOYSA-N 398.713 4.042 50 40 GIGB C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1ccoc1C 5035000 IWQXICWGWDRHCD-MFKUBSTISA-N 390.443 4.466 50 40 GIGB COc1ccc(C(=O)Nc2ccc(/C(C)=N/NC(=O)c3ccoc3C)cc2)cc1 5921630 ZMCHTHTZRJXIMZ-ZVHZXABRSA-N 391.427 4.003 50 40 GIGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2OC)cc1OC 6357655 ODDTVXXXCPVSEA-UMYHVIPVSA-N 390.867 4.298 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1O 15219929 LUKAZXAQOAZQGX-QPEQYQDCSA-N 387.233 4.017 50 40 GIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H]1[C@H]2CCCC[C@]12C 100228938 UTXVFOHELIKLAX-QOAIXGNFSA-N 391.309 4.290 50 40 GIGB COc1ccc([C@H]2C(C#N)=C(O)Oc3c2c(C)nn3-c2ccccc2)cc1OC 408732193 PCVPMDVWOCCRNV-FQEVSTJZSA-N 389.411 4.015 50 40 GIGB O=C(N/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)c1ccccc1O 409089539 MWGRFHQCWSAQCE-AFUMVMLFSA-N 390.483 4.330 50 40 GIGB Cc1ccccc1Cn1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21 409258800 VZYASNMFKBUEMC-AQPAOHHBSA-N 397.478 4.182 50 40 GIGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1 409336164 MBDGVMDKQQRTET-LFIBNONCSA-N 378.428 4.309 50 40 GIGB COP(=S)(OC)Oc1cc(C)nc(-c2ccc(C(F)(F)F)cc2)n1 2555975 HKNHSGQHPPRVHS-UHFFFAOYSA-N 378.312 4.367 50 40 GIGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)ccc1OC1CCCC1 4631739 VGONXGQQQLYQCF-SFHVURJKSA-N 394.475 4.081 50 40 GIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(N2CCCC2)cc1 4740758 LNPWPVOBVXVTSV-WSDLNYQXSA-N 392.286 4.123 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2C)cc1C 6966744 XXBWGUPFPWLBOT-XQQQEEOESA-N 384.483 4.468 50 40 GIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OCc1ccccc1 12349864 FZDMESRJMCUKSL-QHCPKHFHSA-N 399.450 4.075 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(OC)c1 408744906 NZCFMAKOXMIMMU-LCYFTJDESA-N 387.233 4.012 50 40 GIGB Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3N)c3ccccc32)cc1 409369816 ZBPRDCSTDMBCHZ-VULFUBBASA-N 382.467 4.344 50 40 GIGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(F)c1 1021297 XBNJOVSTMJZTOK-SRZZPIQSSA-N 380.404 4.210 50 40 GIGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1cccc([N+](=O)[O-])c1 1878985 BQGSDVXXDGEJJH-RGVLZGJSSA-N 396.230 4.211 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(O)c1 3410016 CCYSQAGXUOEXCS-CYGNYLSHSA-N 385.533 4.189 50 40 GIGB CCOC(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2c(CC)cccc2CC)n1 15251928 VOTCAGRWSOAHSC-GZTJUZNOSA-N 397.500 4.423 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N3CCCCC3)o2)cc1 15356971 QJQKQBNFLZBHEV-JXAWBTAJSA-N 378.428 4.043 50 40 GIGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cccc(Cl)c1Cl 409018728 YTFRQAZZWLKIIL-IFRROFPPSA-N 381.650 4.367 50 40 GIGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(Cl)c2)cc1OC 409315737 OLYXNJLGHFPBLA-FBHDLOMBSA-N 395.242 4.036 50 40 GIGB O=C(c1ccc(F)c(C(F)(F)F)c1)[C@H](Br)CBr 575360705 HABXKEUGPAJACX-SSDOTTSWSA-N 377.957 4.186 50 40 GIGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc([N+](=O)[O-])cc1 1948613 XAUJRLIQHPJLEN-RGVLZGJSSA-N 396.230 4.211 50 40 GIGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 5176146 DDWUSRCFVKUAOZ-ZMOGYAJESA-N 395.821 4.495 50 40 GIGB C=CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(OCC)cc1 10476048 AGQCOIDRCHPARR-KOEQRZSOSA-N 388.467 4.496 50 40 GIGB O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1cccc(Cl)c1 100402363 MBVXUXQKUZZVQA-HIXSDJFHSA-N 389.842 4.021 50 40 GIGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Br)c1)C(N)=O 408875959 MRDOIDSUUSETLA-VGOFMYFVSA-N 375.653 4.086 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Br)s1 409202878 SWZMSRYBWMBBTF-FRKPEAEDSA-N 389.727 4.406 50 40 GIGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)[C@@H](O)c1ccccc1 409257094 QEPXNKKSBQEKQV-GQBLCDNYSA-N 394.858 4.103 50 40 GIGB C/C(=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1ccc([N+](=O)[O-])cc1 1308943 NUOCYQAWCBIOOV-UCQKPKSFSA-N 399.410 4.292 50 40 GIGB CC[C@H](Nc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 2747533 FVTVFYTWRSWMBY-LKKXKRCMSA-N 396.274 4.048 50 40 GIGB CC1=C(C#N)C(=O)N=C(O)/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 4558075 DEJOTVJEPMERDG-QPEQYQDCSA-N 382.759 4.018 50 40 GIGB COc1ccc(NC(=O)c2c(NC(=O)CCl)sc3c2CCC3)cc1Cl 4618877 ACOLKSCXUJTMQB-UHFFFAOYSA-N 399.299 4.328 50 40 GIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 5111995 PNKUEBBIINWPMC-WSDLNYQXSA-N 393.399 4.001 50 40 GIGB O=C(CCl)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 51330546 NKLJGMXFYQKMGP-INIZCTEOSA-N 377.669 4.366 50 40 GIGB CN(C)C(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 59333853 AJHPSRMNRINTBH-UITAMQMPSA-N 380.187 4.157 50 40 GIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@]21C 107876778 UTXVFOHELIKLAX-TWFPNHQZSA-N 391.309 4.290 50 40 GIGB CCN1c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2[C@H](C)CC1(C)C 208302324 UWMDGRDYALTJOI-QKIXXSFTSA-N 394.475 4.471 50 40 GIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)cc1C 409124970 CTSIHRMMQJKGBN-OAHLLOKOSA-N 397.525 4.076 50 40 GIGB CCOc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 870408 BVFAAICSUHHIHQ-SFHVURJKSA-N 395.846 4.102 50 40 GIGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Cl)cc(Cl)c1O 1086733 DAEBZSKQBCXNIH-AUEPDCJTSA-N 388.254 4.414 50 40 GIGB COc1ccc(NC(=O)c2c(NC(=O)CCl)sc3c2CCCC3)cc1 4219036 DFZDSGDLXFNYBI-UHFFFAOYSA-N 378.881 4.065 50 40 GIGB CNC(=O)/C(C#N)=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 5529589 FFGZWKQFJYWWCP-NTCAYCPXSA-N 379.847 4.027 50 40 GIGB CCCCOc1ccc(C(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)cc1 5713163 XHIGNDGHJYMLDA-FSJBWODESA-N 398.846 4.389 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(F)cc1 8812160 BQAVHXDKVUFSLK-UFFVCSGVSA-N 387.754 4.411 50 40 GIGB CCOc1ccc(OCc2ccc(C(=O)N/N=C3/C[C@H]4C=CC[C@H]34)cc2)cc1 38437083 JFJINYVVMDKCOK-YGGPFXBESA-N 376.456 4.346 50 40 GIGB N#C/C(=C/c1ccc(OCc2cscn2)cc1)C(=O)c1ccc2c(c1)OCO2 48332108 FOJPLWKVOWEJRV-APSNUPSMSA-N 390.420 4.241 50 40 GIGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444746 VBCLQDLNRJWLMH-UHFFFAOYSA-N 381.476 4.277 50 40 GIGB C/C(=N\OCC(=O)N/N=C/C1=C(c2ccccc2)[C@@H]2C=C[C@@H]1C2)c1ccc(C)cc1 100569989 HTWONDJZUPGHOK-NZECRIAASA-N 399.494 4.497 50 40 GIGB N#C/C(=C\Nc1ccccc1-c1ccccc1)C(=O)NC(=O)Cc1ccccc1 103657489 GJIFTQJZPGKLFF-LVZFUZTISA-N 381.435 4.058 50 40 GIGB COc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)cc1[N+](=O)[O-] 408718527 VLEWDIIYTDDMHQ-IZZDOVSWSA-N 399.204 4.306 50 40 GIGB C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc1OCC 409363030 KSHOLJZGMPFWJB-OYKKKHCWSA-N 398.890 4.060 50 40 GIGB CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1 3023268 LFFPLPCQZIRQQM-LFVJCYFKSA-N 381.520 4.459 50 40 GIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccccc1Cl 3033653 NMRLLEQZAWLRPK-YDZHTSKRSA-N 382.847 4.421 50 40 GIGB CCCCc1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 3193437 KEXHUYJQIUBEOA-JJIBRWJFSA-N 381.520 4.405 50 40 GIGB N#C/C(=C/c1ccccc1I)c1nc2ccc(F)cc2[nH]1 408570740 XYLYRYCWKWXLSY-XFFZJAGNSA-N 389.171 4.371 50 40 GIGB CC(=O)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408758401 JQJJQERHAGMASR-OQLLNIDSSA-N 399.244 4.229 50 40 GIGB C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccccc1 409049943 YWCABUBDTPDSCL-CXUHLZMHSA-N 385.250 4.229 50 40 GIGB O=C(/C=C/c1ccccc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccco1 409218774 GWSLWTSKWZUBCO-LABNAMAPSA-N 394.814 4.316 50 40 GIGB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NNC(=O)CC(C)C)c23)CO1 2400257 AUCHCVJLQISTGR-SFHVURJKSA-N 394.566 4.144 50 40 GIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2)cc1 59282168 DLYBZGOBPHWQCV-JCMHNJIXSA-N 398.462 4.498 50 40 GIGB C[C@@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915638 BXSPCFWJSALCFW-AOUCNHLBSA-N 390.612 4.412 50 40 GIGB in-vitro COc1ccc(CC(=O)N/N=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1 208224596 QXSVRKNZSMWODQ-HAWKZNDISA-N 393.531 4.418 50 40 GIGB Cc1ccc(NCC(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)cc1 408531940 PEQXAAXIKRLKPF-AFUMVMLFSA-N 375.472 4.498 50 40 GIGB CN1CCC(=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 408860870 GYXSLRKOCCKPEJ-UHFFFAOYSA-N 387.936 4.444 50 40 GIGB COc1ccc2cc(/C=N/NC(=O)CSCc3ccccc3)c(Cl)nc2c1 408860956 JKVUOORULXGTPR-SSDVNMTOSA-N 399.903 4.280 50 40 GIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1 409146481 SXPFVAZYHDFSEW-FPQGOQEYSA-N 386.542 4.120 50 40 GIGB O=P(C(=S)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21)(c1ccccc1)c1ccccc1 575628269 YSKJWRGCOCIJFA-MSOXQGRFSA-N 393.492 4.476 50 40 GIGB CCOc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 6210205 WUZKDEWBBONSNZ-SDNWHVSQSA-N 377.469 4.326 50 40 GIGB N#C/C(C(N)=O)=C1\Oc2c(cc(O)cc2-c2ccc(Cl)cc2Cl)S1 13564437 GLXUYHCSFPJTQR-WJDWOHSUSA-N 379.224 4.071 50 40 GIGB CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 26967770 AWNKYZVBCBTSAC-FOWTUZBSSA-N 376.847 4.236 50 40 GIGB O=C(Cl)[C@@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)ccc4o3)c2)C1 45887079 WYGAFVIWEWZLJC-LLVKDONJSA-N 375.211 4.267 50 40 GIGB O=C(NNc1ccccc1C(F)(F)F)c1cc(Cl)c2c(c1)OCCCO2 61038074 ZEYAAZMTYMRVQR-UHFFFAOYSA-N 386.757 4.277 50 40 GIGB COc1ccccc1/C=C(\C#N)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408878531 BRQWMEBUKCPHPL-IZZDOVSWSA-N 392.198 4.456 50 40 GIGB COc1ccc(C(=O)CSC(Nc2ccc(F)cc2)=C(C#N)C#N)cc1OC 2314157 YTTAGWIHAJWFBY-UHFFFAOYSA-N 397.431 4.130 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC#N 2805910 BAHMUYWMDCWJOH-OQLLNIDSSA-N 381.819 4.105 50 40 GIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1)c1ccc(Cl)cc1 5771552 RYTZXSMOHQTVIC-YDZHTSKRSA-N 393.830 4.062 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCCC2)cc1F 6247781 TWULFEYRBHEHRL-MFKUBSTISA-N 391.446 4.352 50 40 GIGB O=C(N/N=C/c1c[nH]nc1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 17077128 WQRJHJLEHIUBEB-LSFURLLWSA-N 377.206 4.287 50 40 GIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OCC 408779572 YTLWYIMKWXOKBT-LGMDPLHJSA-N 379.460 4.096 50 40 GIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)n1nc(C)cc1C 408815960 IHVJTGVACMGWDC-OQLLNIDSSA-N 386.249 4.075 50 40 GIGB O=C(N/N=C/c1cccn1-c1ccccc1F)c1cccc(C(F)(F)F)c1 408963827 AYXAMJRZVPEGKS-WYMPLXKRSA-N 375.325 4.399 50 40 GIGB C[C@H]1O[C@@]1(C)C(=O)[C@H](Br)[C@H](Br)c1ccc(Cl)cc1 4837078 HMKVJMOQBUSHGB-GDECHXLSSA-N 396.506 4.286 50 40 GIGB O=C(Cc1cccs1)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 13590166 WXGCNLWKQOWSAF-GRSHGNNSSA-N 389.820 4.263 50 40 GIGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 13880450 UDDZFOFGRAEDGS-YBFXNURJSA-N 381.657 4.022 50 40 GIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)o1 33692720 NZTRMDOJEGTMJK-PTNGSMBKSA-N 388.379 4.205 50 40 GIGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(C2CCCCC2)cc1 34798629 GIXNXKYGXANBCX-OLCUMFGGSA-N 378.472 4.415 50 40 GIGB Cc1cccc(/C=N/NC(=O)CSCc2cccc(Br)c2)c1 408775639 IRQGODHEJSXPFW-VXLYETTFSA-N 377.307 4.141 50 40 GIGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 409054463 GIGXNGAIDOUZBV-XDJHFCHBSA-N 397.434 4.250 50 40 GIGB N#CCC(=O)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 1096966 KBIHDOVKYVFLMN-QGMBQPNBSA-N 398.669 4.210 50 40 GIGB COc1cc(/C=N/NC(=O)c2cc(C)oc2C)ccc1OCc1ccccc1 1476654 CXVCNTVEGBPMHD-YDZHTSKRSA-N 378.428 4.248 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2c1 6998718 SCPLVAPMKQRPSQ-SSDVNMTOSA-N 386.238 4.235 50 40 GIGB C/C(=N\NC(=O)c1ccc(F)cc1F)c1ccc(N2CCCCC2)c(F)c1 12362505 NZOSBTMUWWJMRQ-ZMOGYAJESA-N 375.394 4.248 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 59336048 KZKUMGQSGREYQM-XFFZJAGNSA-N 392.198 4.456 50 40 GIGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(N(C)C)o1 408849386 WJQMCCWGIVIBEA-LCYFTJDESA-N 388.265 4.216 50 40 GIGB N#Cc1ccc(-c2ccc(/C=N\NC(=O)COc3cccc(Cl)c3)o2)cc1 409019859 ZAQOQSQVKPRQTH-FMCGGJTJSA-N 379.803 4.001 50 40 GIGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)ccc1OC1CCCC1 4631740 VGONXGQQQLYQCF-GOSISDBHSA-N 394.475 4.081 50 40 GIGB COc1ccc(CC(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)cc1 6376683 IRKOJPOXPZWCIC-BUVRLJJBSA-N 376.456 4.328 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccccc1 16438138 MIWXZPZYFSLPBQ-XSFVSMFZSA-N 376.456 4.194 50 40 GIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1 38650259 ONLDRHRBEZJVJJ-JOCHJYFZSA-N 398.418 4.133 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccc(Cl)cc1Cl 409063549 CBBWZHTUVGXLFD-SSDVNMTOSA-N 380.250 4.497 50 40 GIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2cccc(F)c2)cc1 409248133 GFZOIZWEPOVVHA-QFEZKATASA-N 380.394 4.237 50 40 GIGB CCOc1ccc2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c(Cl)nc2c1 933840 FNKXCZSSMMOPEV-SFHVURJKSA-N 395.846 4.102 50 40 GIGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(C)cc3)cc2)cc1 2020906 MYGRXLOCUBPQEQ-BUVRLJJBSA-N 387.439 4.020 50 40 GIGB C/C(CC(=O)Nc1ccccc1C(C)C)=N\NC(=O)COc1cc(C)cc(C)c1 5724845 PUXDZBHJDXJMDS-XIEYBQDHSA-N 395.503 4.327 50 40 GIGB CCOC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 59410608 BDTFOGWDIFDUFI-LFIBNONCSA-N 386.245 4.498 50 40 GIGB C/C(CC(=O)N(C)c1ccccc1)=N\NC(=O)C(c1ccccc1)c1ccccc1 100972518 WUFKKRLMWRVNOM-LGUFXXKBSA-N 399.494 4.364 50 40 GIGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1ccc(C(=O)O)cc1 408542850 OFQAMAMSRYMDQG-WQRHYEAKSA-N 378.428 4.066 50 40 GIGB O=C(N/N=C/c1cccn1-c1ccccc1)Nc1ccc(Br)cc1 1104643 XOORXMTZNQLIHB-DEDYPNTBSA-N 383.249 4.395 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@@H]2C[C@H](c3ccccc3)CC=C12 1303198 BFDLPNAMAQGGCB-ZNLUXHQJSA-N 377.451 4.069 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCc1ccccc1 3376045 AZJYTNPRFOHBNE-GZTJUZNOSA-N 391.452 4.276 50 40 GIGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N3C2)cc1 4922756 BMORSNNMCSFTJU-QGZVFWFLSA-N 379.460 4.354 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(OC)c1 5736330 LPHIINHQIACZRU-ZMOGYAJESA-N 393.409 4.324 50 40 GIGB CCCCOc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC 6651734 NWPXHUKYSPXYBV-OEAKJJBVSA-N 396.443 4.393 50 40 GIGB CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=CCCC[C@H]2[C@@H]1c1cccc2ccccc12 20167895 XGDGFATYQMYRDA-JLRUASKGSA-N 397.478 4.473 50 40 GIGB N#C/C(=C/c1ccc(N2CCCCC2)c(F)c1)C(=O)Nc1cccc(C(=O)O)c1 33489445 UJXAHMMSZWPVHN-BOPFTXTBSA-N 393.418 4.060 50 40 GIGB N#C/C(=C/c1cccn1-c1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 408853094 LJKKEXXLPWVXJB-CYVLTUHYSA-N 380.451 4.224 50 40 GIGB O=C(Cc1cccs1)N/N=C\c1cccc(OC(=O)c2ccccc2Cl)c1 30738421 IPKOOXGNEKTEMU-XKZIYDEJSA-N 398.871 4.314 50 40 GIGB CCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC 408776053 SYBQKFJECHXPSM-FMCGGJTJSA-N 380.366 4.267 50 40 GIGB Cc1cc(C)cc(NC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)c1 408951425 JEGHUYGEKFWNSQ-HAHDFKILSA-N 375.476 4.316 50 40 GIGB O=C(COc1ccccc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 861479 JQEPPDQIFYEFEY-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 4537669 DFXDBDXKORBSLE-FOWTUZBSSA-N 388.379 4.199 50 40 GIGB CCOc1ccc(CCCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 5872954 BMVPIILCIKLTRJ-LFVJCYFKSA-N 376.456 4.417 50 40 GIGB CC(C)c1ccc(OCC(=O)N/N=C/c2cccs2)c(Br)c1 6358906 VDYMZXXBNMHKDU-GIJQJNRQSA-N 381.295 4.163 50 40 GIGB O=C(CNc1ccccc1Oc1ccccc1)NNC(=O)c1ccc(Cl)cc1 9221449 XFLOTIVAMODAPZ-UHFFFAOYSA-N 395.846 4.005 50 40 GIGB COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC)c1 16409825 OUZWPBDZLOFLMF-MDWZMJQESA-N 387.233 4.012 50 40 GIGB O=C(CCCCCCCC(=O)N/N=C/c1ccccc1)N/N=C\c1ccccc1 31829188 HEHRJIWUBDZADI-ZFQRDYFNSA-N 392.503 4.018 50 40 GIGB O=C(N/N=C\c1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2 33153044 JARWKSWJGGKSKX-JAIQZWGSSA-N 376.298 4.051 50 40 GIGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1 409316498 YJFBPFJLQZENIO-KQWNVCNZSA-N 384.476 4.427 50 40 GIGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC)c(Cl)c2)cc1OC 409318536 WKHBUILGPKBJPZ-XKZIYDEJSA-N 390.867 4.300 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 409360764 NDOFCFFUVYMJJX-LPYMAVHISA-N 377.400 4.164 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cn1 2356967 ADXDFZBSGXFBKW-CVKSISIWSA-N 382.467 4.465 50 40 GIGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1c2ccccc2cc2ccccc12 3113464 DDMAYCZALQDIMU-MZJWZYIUSA-N 399.425 4.012 50 40 GIGB C/C(=N\NC(=O)c1ccc(CNc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 5605716 DXSPTKAWOUVHTB-LFVJCYFKSA-N 388.427 4.361 50 40 GIGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)NC1CCCCC1 6410656 SXRQSUFSXSXYDY-SDNWHVSQSA-N 386.858 4.329 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 6431623 OBVQPKAHWSRTNS-HZHRSRAPSA-N 391.427 4.230 50 40 GIGB Cc1ccc([C@@H]2CC(=O)NC(SCc3ccc([N+](=O)[O-])cc3)=C2C#N)cc1 6477646 PZJSYRKJFYCNPT-KRWDZBQOSA-N 379.441 4.175 50 40 GIGB CC[C@H]1CCc2sc(C(=O)N/N=C/c3c(C)nc4scc(C)n34)cc2C1 8046424 GOPWFJKDCMJWPN-QOJWJBQSSA-N 386.546 4.353 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OCC 9668349 PSRRROKDILNCFV-UDWIEESQSA-N 391.265 4.010 50 40 GIGB O=C(Cl)[C@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)ccc4o3)c2)C1 45887083 WYGAFVIWEWZLJC-NSHDSACASA-N 375.211 4.267 50 40 GIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)cc1 408791627 ZUZYQCRCTPJEDI-GHRIWEEISA-N 386.407 4.181 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 948767 MEDZDGNVBCWPRR-XDJHFCHBSA-N 398.418 4.460 50 40 GIGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 1026316 BDBYYKCXWXUWHH-SFHVURJKSA-N 380.810 4.191 50 40 GIGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)c1ccccc1 1957622 UXYIINFUESWBMI-OEAKJJBVSA-N 378.815 4.323 50 40 GIGB N#CC1=C(N)S[C@@H](c2ccc(F)cc2)[C@@H]([N+](=O)[O-])[C@H]1c1ccccc1Cl 4625807 ANSUFBDAESBCFC-ULQDDVLXSA-N 389.839 4.390 50 40 GIGB N#C/C(=C\c1ccccc1I)c1nc(O)c2ccccc2n1 9013147 COUBYWQFURDLBJ-FMIVXFBMSA-N 399.191 4.004 50 40 GIGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 59473497 BBSGITPWXGNRCD-MKFNJMOCSA-N 377.853 4.269 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Cl)c2)cc1 408790440 WFNUGRBEDVNPKB-RVDMUPIBSA-N 381.819 4.187 50 40 GIGB CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)cc1 2166241 KEIOUHJJWMEPSL-UDWIEESQSA-N 391.265 4.010 50 40 GIGB O=C(O)[C@H](Br)C1(Br)c2ccccc2-c2ccccc21 16952571 LYXLSXTVAASTBT-ZDUSSCGKSA-N 382.051 4.154 50 40 GIGB C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(C(=O)O)s1 17080114 XZOJIFXSVICLNI-WSDLNYQXSA-N 392.436 4.224 50 40 GIGB CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 35305629 RXXRSBDXJSAWFP-JAIQZWGSSA-N 387.233 4.358 50 40 GIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)c1 59292025 BFEMAEFJWRLURX-XMHGGMMESA-N 398.418 4.460 50 40 GIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 408807807 OXOKACWYCCQHSR-LFIBNONCSA-N 398.846 4.461 50 40 GIGB O=C(N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1)c1cccc(Cl)c1 408878560 ALVPNQAXWLNGEO-ZMOGYAJESA-N 396.805 4.462 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)c(C)c1 408967411 QMKVLTXHOVXFLY-LGJNPRDNSA-N 388.446 4.486 50 40 GIGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(O)cc1 1407010 FOMVJCDFLHIOAG-ACCUITESSA-N 375.340 4.106 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NCc1ccco1 2697995 XOSFVFSYCCUMHV-XYOKQWHBSA-N 397.774 4.325 50 40 GIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1OCCC(C)C 16788560 JQEJPKTWKZUKMN-QFIPXVFZSA-N 393.487 4.311 50 40 GIGB COc1ccc(COc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 408734374 FXLDZOVFUVSWQH-CPNJWEJPSA-N 388.423 4.091 50 40 GIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC#N)c(OC)c2)cc1 408792258 ABNZLCULYMCGEV-MHWRWJLKSA-N 395.846 4.359 50 40 GIGB CCOc1ccc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)c(OCC)c1 409186654 GBIVFZDFSPBKMM-UCQKPKSFSA-N 396.443 4.393 50 40 GIGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1O 409391684 JLQIGPWVCBWGAL-XGICHPGQSA-N 395.171 4.209 50 40 GIGB O=C(NNC(=O)C1CCCCC1)c1cccc(COc2ccc3c(c2)CCC3)c1 654974 QKKOVYOMLAUKTD-UHFFFAOYSA-N 392.499 4.096 50 40 GIGB CCc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1 4922904 KHGLXEIEMQBFOQ-IBGZPJMESA-N 375.497 4.468 50 40 GIGB aggregator Cc1ccc([C@H]2C(C#N)=C(N)O[C@H]3[C@@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1 5546273 OYBRLNLLOLUPME-ZWOKBUDYSA-N 398.388 4.184 50 40 GIGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc2c(c1)OCO2 5677854 REYWRLHKDJURKH-UFFVCSGVSA-N 395.242 4.031 50 40 GIGB O=C(N/N=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1 34722413 IAZZVEYWFLNNAE-UCQKPKSFSA-N 393.830 4.221 50 40 GIGB CCCCOc1ccc(C(=O)NNc2nc3ccc([N+](=O)[O-])cc3s2)cc1 59417522 AXTABWFGUVNJCN-UHFFFAOYSA-N 386.433 4.140 50 40 GIGB Fc1cc(CBr)cc(Br)c1I 169795570 UJONKHWGPTWDJE-UHFFFAOYSA-N 393.819 4.088 50 40 GIGB COc1cc(C=C(C#N)C#N)ccc1OC(=O)c1cccc(Br)c1 3191202 VSECSROLRFHAOX-UHFFFAOYSA-N 383.201 4.107 50 40 GIGB COc1ccc(CCNC(=O)/C(C#N)=C/c2cccc3ccccc23)cc1OC 3279809 PBAWGLMFPCOJCZ-HMMYKYKNSA-N 386.451 4.123 50 40 GIGB CC(C)COc1ccc(C(=O)N/N=C/[C@H](C)Cc2ccc3c(c2)OCO3)cc1 5632909 QCONUMDRPHCDBZ-PLVXZXGYSA-N 382.460 4.045 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC 5740456 VFUIWLRWAZTCDS-ZVHZXABRSA-N 391.471 4.184 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OCc3ccccc3)c2)cc1 8228867 AVQLTLBOLSDRHN-BUVRLJJBSA-N 390.439 4.047 50 40 GIGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1 15227454 IDKCSKOOGORPDN-WYRKQZDXSA-N 390.325 4.117 50 40 GIGB O=C1CCC/C(=N/NC(=O)c2ccc(CSc3nc4ccccc4o3)cc2)C1 103458028 YGNIALVTCWEXID-KQWNVCNZSA-N 393.468 4.349 50 40 GIGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)N3CCOCC3)cc21 223507078 JZEYBLGGIMQRFB-NDENLUEZSA-N 393.531 4.171 50 40 GIGB O=C(Cc1cccs1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409205704 JMPAESCXFKDTJE-KEBDBYFISA-N 388.832 4.053 50 40 GIGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)[C@H](O)c1ccccc1 409268127 QCNXRGYFYFWADX-JHXRPTDYSA-N 394.858 4.103 50 40 GIGB Cc1cccc(NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c1C 1410848 SJMKMPYIMBEGSK-UHFFFAOYSA-N 389.524 4.453 50 40 GIGB COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 1445124 ZCJDRGJEYNHVOW-BUVRLJJBSA-N 387.439 4.020 50 40 GIGB CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc(Cl)c1 4724132 UQPPCXZOCQYLRN-QRVIBDJDSA-N 382.847 4.421 50 40 GIGB COc1ccc(CCC(=O)NNc2cccc(Cl)c2)cc1Br 58203103 RYLLZNZVLSSYMR-UHFFFAOYSA-N 383.673 4.187 50 40 GIGB O=C(N/N=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1)[C@H]1CC12CCC2 15938107 JGGQPJOTOLUDOS-WYZGRJJJSA-N 375.428 4.319 50 40 GIGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(Br)cc1 59502717 DOKYDPWKPQSDHW-WSDLNYQXSA-N 379.257 4.465 50 40 GIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 101139880 FRSOXPRKIDJSBB-OQLLNIDSSA-N 386.329 4.187 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(C(=O)O)c2)c(C)c1 101477821 QXHNTJSBZPYAEE-AQTBWJFISA-N 385.423 4.338 50 40 GIGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(Sc3ccccc3)o2)c1 409003397 ZYUAJJGXOWWNPF-HMAPJEAMSA-N 395.484 4.026 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Br)cc1 787516 XLJBMSZPYPVCLC-CIAFOILYSA-N 383.245 4.375 50 40 GIGB N#CCC(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 2302533 AHVFEHJDCPIOGU-AUEPDCJTSA-N 385.254 4.360 50 40 GIGB O=C(Cc1ccc(Cl)cc1Cl)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5578971 RVBSXSOLDPOZMY-UHFFFAOYSA-N 395.330 4.290 50 40 GIGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccc4ccccc4c3)cc2)n1 6189212 VYCQDYXLZDGFNG-MFKUBSTISA-N 382.467 4.465 50 40 GIGB O=C(N/N=C\c1cc(Br)ccc1O)C12CC3C[C@H](CC[C@@H](C3)C1)C2 100810015 ZLXXQMUQVYKIBV-GTQUCQDNSA-N 391.309 4.211 50 40 GIGB C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(I)c1 408783290 MEOSDBZAUXVULO-VCHYOVAHSA-N 398.631 4.099 50 40 GIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c3ccccc23)cc1 408791750 BYBPVEJNJCGLOE-GHRIWEEISA-N 386.407 4.181 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)cc1C 408965168 GRELIDGBFMKQPM-LGJNPRDNSA-N 388.446 4.486 50 40 GIGB CN1/C(=C\C=N\NC(=O)COc2ccc(Cl)cc2)C(C)(C)c2ccccc21 6407068 UZNWXBBWSBUUOJ-CZACTKFKSA-N 383.879 4.132 50 40 GIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl 408789986 TUJUMFDXXHUDDT-FOWTUZBSSA-N 380.831 4.296 50 40 GIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2o1 408966089 YYDYSYVPCCLXGO-ZVBGSRNCSA-N 377.278 4.124 50 40 GIGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)c1C 409134358 OWPDDMSAVOUITQ-CQSZACIVSA-N 397.525 4.076 50 40 GIGB COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OC 409359972 CSNNWQCDMFBXIN-ACAGNQJTSA-N 388.217 4.259 50 40 GIGB CCc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 3166964 ZXAGVZRHHHUXHR-PCLIKHOPSA-N 388.467 4.357 50 40 GIGB N#C/C(=C\Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc3c(c2)OCO3)cs1 4794803 ARNUGJGHFAZTMW-UKTHLTGXSA-N 392.396 4.424 50 40 GIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 408961777 DYMXMMDVKBFLII-XMOVILSBSA-N 381.388 4.282 50 40 GIGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c1 409365017 PQTMHWRGWUMHAS-YDZHTSKRSA-N 391.427 4.473 50 40 GIGB N#C/C(=C\c1cc(Br)c(N2CCOCC2)o1)c1ccc(F)cc1 1101697 XKQNWRKRQLBBLN-UKTHLTGXSA-N 377.213 4.082 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3cccc(C#N)c3)c2)cc1 20764630 POQJGBWURJORBV-WGOQTCKBSA-N 399.450 4.300 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccccc2F)o1)c1cncc(Br)c1 44950380 JQRYKKPOPASHLE-UFFVCSGVSA-N 388.196 4.007 50 40 GIGB CCN1c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2[C@H](C)CC1(C)C 208302281 GGOCXWQCQGVUOH-QKIXXSFTSA-N 394.475 4.471 50 40 GIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(I)o2)c1 408757579 AGKBSQSGMOGXEW-WQLSENKSSA-N 392.196 4.047 50 40 GIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Br)o1 408794652 AFVUMUGTAHWIGQ-RMKNXTFCSA-N 381.613 4.250 50 40 GIGB CCOc1ccc(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 408821478 HYWQSNXFXLTYFV-XNTDXEJSSA-N 384.819 4.291 50 40 GIGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1Cl 408896023 MNFRHZUIHPKLPO-IZZDOVSWSA-N 391.210 4.246 50 40 GIGB CC[C@@H](C)Oc1ccccc1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 408903992 CCOXRNROVVMDJL-MUBJSKCLSA-N 381.388 4.282 50 40 GIGB O=C(CC1CCCCC1)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 4700866 JHINHIQBYMUBLZ-UHFFFAOYSA-N 396.331 4.456 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3nc4ccccc4nc3c2)cc1 5258662 VPIYEBLMNNITAI-FOWTUZBSSA-N 380.407 4.337 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(F)cc2)c1C 8812256 AGIRTSNYRIZJCZ-FSJBWODESA-N 394.406 4.214 50 40 GIGB C/C(=N\NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)c1cccc(O)c1 8972789 KNZDULMWHYSZNN-UFFVCSGVSA-N 389.242 4.243 50 40 GIGB Cc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(Cl)c4)CC(=O)N32)cc1 12276079 HPEUZXYMBWVYSM-UWJYYQICSA-N 396.899 4.292 50 40 GIGB CCCCCCOc1ccc(OCCOc2cccc(/C=N/NC(N)=O)c2)cc1 41108620 ZWNSUNVGGUADPV-JJIBRWJFSA-N 399.491 4.106 50 40 GIGB Cc1cc(C(=O)/C(C#N)=C\c2cccc3c2OCO3)c(C)n1CC(F)(F)F 48373924 BZICHYIMOJQMJO-AUWJEWJLSA-N 376.334 4.186 50 40 GIGB O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 58884690 SXGNVLBXUFJUHM-OEAKJJBVSA-N 393.830 4.221 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccc(C)cn34)c2C)cc1 408877805 URACXSLBDHXDLJ-DHRITJCHSA-N 399.498 4.431 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 409381733 JGYKKJVWSNYSNW-AFUMVMLFSA-N 393.874 4.481 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1Cl 409382864 WRUTXAVPDAUJCC-AFUMVMLFSA-N 393.874 4.481 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 4660251 ZKTQNRQWFWHOBB-KPKJPENVSA-N 391.305 4.168 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1 6332411 VXMGVMZCAJSURG-LPYMAVHISA-N 376.416 4.075 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2)c1C 408586982 DIVFUNFYASMBQK-LPYMAVHISA-N 376.416 4.075 50 40 GIGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c2ccccc21 408598813 JZYULVZDBOJQQS-AFUMVMLFSA-N 399.450 4.122 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 3140709 RSSZUCMYUSALCH-BUVRLJJBSA-N 387.439 4.020 50 40 GIGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4C)CC(=O)N3C2)cc1 4922629 HFXUOMNFBFOUSR-LJQANCHMSA-N 391.496 4.223 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@]43C)o2)c1 105186749 JCPFIUFXGRGHTH-NKQCRJKHSA-N 380.444 4.010 50 40 GIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2O)c1C 408591445 TVCYLMQITKSCBP-FSJBWODESA-N 397.862 4.226 50 40 GIGB COCCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2)c2ccccc12 408795356 CANABCZMDTXZIB-HMMYKYKNSA-N 387.483 4.058 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 409391702 KVRYSNIIPRNVEL-KOEQRZSOSA-N 388.467 4.376 50 40 GIGB COc1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc1 1435069 ILCSDDIEALZVJO-LPYMAVHISA-N 397.272 4.304 50 40 GIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 3140602 SBMBDBOYQKXIIJ-ZVHZXABRSA-N 376.456 4.372 50 40 GIGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccccc1Cl 3218388 DIXNXTDMYZTTPH-SSDVNMTOSA-N 396.790 4.199 50 40 GIGB C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)c1cccc(C)c1O 4904300 QBUTUNOWHSUGJO-SSDVNMTOSA-N 394.258 4.142 50 40 GIGB COc1cccc([C@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)c1 4923454 WDZJTDZRWKHTBB-LJQANCHMSA-N 391.496 4.223 50 40 GIGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc(C)cc3C)cc2)cc1 12770090 IITRLBKNTHYFBF-UHFFFAOYSA-N 394.496 4.202 50 40 GIGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccccc1Cl)[C@@H](Br)C2=O 13139439 DGRQQFSPTYGWLX-VHSSKADRSA-N 398.728 4.115 50 40 GIGB aggregator Cc1ccc(S(=O)(=O)S/C(=N/c2ccccn2)Nc2ccccn2)cc1 17425493 JPJWODZMYJBHNZ-UHFFFAOYSA-N 384.486 4.007 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)CSc2ccccc2)cc1Br 20244004 YNJDOWICWNXLGQ-XDHOZWIPSA-N 393.306 4.090 50 40 GIGB C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccccc1 20248311 DWQDLIIETUMRIT-CPNJWEJPSA-N 377.307 4.223 50 40 GIGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 20916181 LCLZBTIWQIWEGR-LFYBBSHMSA-N 391.210 4.002 50 40 GIGB Cc1ccc(SCCC(=O)N/N=C/c2ccccc2Br)cc1 33045844 MNRPCEAMMIFKFM-XDHOZWIPSA-N 377.307 4.390 50 40 GIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)c(F)c2)c1 409108762 YWACTFXERVMQRR-ATVHPVEESA-N 379.435 4.370 50 40 GIGB N#CC1=C(O)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 2294706 QNJLNLDYOQFLLP-FOIQADDNSA-N 388.379 4.403 50 40 GIGB O=c1ssc2c1N(C[C@H](Cl)CCl)c1c(ssc1=O)S2 4491416 GFZKSGZZAFYZDM-GSVOUGTGSA-N 390.385 4.102 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1OCC 4815512 HPJPHCJFTUYSEN-UDWIEESQSA-N 391.265 4.010 50 40 GIGB COc1ccccc1NC(=O)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 5527595 BYJWEZDSXNEADX-MFKUBSTISA-N 397.434 4.090 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 6614035 BRLMSPQSCPIGPL-UDWIEESQSA-N 381.413 4.138 50 40 GIGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12 40140010 IBVZPOQXKNSXGU-WJDWOHSUSA-N 391.858 4.448 50 40 GIGB CCC/C(=N\NC(=O)COc1ccc(C)cc1Br)c1ccccc1 4526146 PXCGSXCUFROIFT-HEHNFIMWSA-N 389.293 4.457 50 40 GIGB CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCCl)c1ccccc1[S@]2=O 4973965 YYJPTJBVMWSOGE-SANMLTNESA-N 392.864 4.029 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1 5894283 KUNNVRMSQQLFHD-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB CSc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 1105263 SSTZYSNOTSUBMZ-FYJGNVAPSA-N 395.509 4.486 50 40 GIGB CCOc1cc(/C=N/NC(N)=O)ccc1OCCOc1ccc([C@H](C)CC)cc1 4576125 BEHXLMAEIWQHSV-DTVDJLOLSA-N 399.491 4.059 50 40 GIGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 4868137 BGACUUGYRHHQRP-ZVBGSRNCSA-N 375.803 4.373 50 40 GIGB CCCCOc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1OC 24037174 IDDPAQZZCBOUBC-LPYMAVHISA-N 390.867 4.057 50 40 GIGB Cc1ccccc1-n1nc(C(=O)NN)cc1-c1ccc(Oc2ccccc2)cc1 59472527 LIFJWLWSIIKMLU-UHFFFAOYSA-N 384.439 4.244 50 40 GIGB CCN(CC)c1ccc(N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 101192801 DYNVBDYPFJJYPK-RGEXLXHISA-N 389.908 4.437 50 40 GIGB C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3OC(F)F)[C@H]2C1 4631524 SJBUAHRMBGWREN-XLWVJDPXSA-N 380.398 4.128 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OC(C)C 6960327 OWGQZVLPNCDFJD-YDZHTSKRSA-N 396.443 4.391 50 40 GIGB O=C(NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccccc1 16476754 SGLQCVAHCITGQK-UHFFFAOYSA-N 397.442 4.116 50 40 GIGB N#C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408798112 UWNBYZFPZYWOIR-WUXMJOGZSA-N 391.210 4.002 50 40 GIGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1 408885114 XTRSMUHTGRUKER-WUXMJOGZSA-N 375.197 4.142 50 40 GIGB COc1cccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c1 409316296 MBDLFMIQKDIGSK-IWIPYMOSSA-N 390.439 4.047 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 409374984 CNSOFGMIOAXSCH-SSDVNMTOSA-N 398.806 4.070 50 40 GIGB O=C(Nc1ccc(Cl)cc1)ON1C(=O)c2ccccc2O[C@@H]1CCCl 2150038 YHIHXGLBLWTPIQ-OAHLLOKOSA-N 381.215 4.293 50 40 GIGB CCc1n[nH]c2c1[C@H](c1ccc(F)c(Oc3ccccc3)c1)C(C#N)=C(N)O2 9089509 ZUKIAKGRBKIOQF-GOSISDBHSA-N 376.391 4.122 50 40 GIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)O)cc1 59303101 NVYURSPEJQXGHI-OJNRTJSBSA-N 384.819 4.046 50 40 GIGB O=C(N/N=C(\Cc1cccs1)C(F)(F)F)c1ccc(Br)cc1 408734129 KTESRSQOTNDVHP-XDHOZWIPSA-N 391.212 4.401 50 40 GIGB N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1ccccc1F 408820797 YUZSQCWFIMDHAL-RVDMUPIBSA-N 376.343 4.330 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCc1ccc(Cl)cc1 3292724 HSRNVPHVAXCVEJ-ZMOGYAJESA-N 395.846 4.087 50 40 GIGB CCC(C)(C)C1CCC(=NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 5417117 KGLAVYKKTOSWGX-UHFFFAOYSA-N 376.497 4.425 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1C(F)(F)F 709575 STCKCFLWYDPOLS-HNNXBMFYSA-N 382.345 4.314 50 40 GIGB COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccc(C)cc23)cc1 871080 MGNTXSIKBHKBKA-WSDLNYQXSA-N 379.485 4.103 50 40 GIGB CC(C)(C)c1cc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)[nH]n1 1084693 WAZBGFJNXHILIL-AFUMVMLFSA-N 399.498 4.474 50 40 GIGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccsc2)C(C#N)=C(N)O3)cc1 4900715 BNHJNFZKKMGIOB-MRXNPFEDSA-N 380.498 4.290 50 40 GIGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@H]1c1c(Cl)cccc1Cl 5749334 SCKBZTFWOZXPMB-OAHLLOKOSA-N 385.206 4.318 50 40 GIGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)C2 8336795 HNKPAOWOZXWKSH-GZIVZEMBSA-N 376.287 4.076 50 40 GIGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OC)c(OCC)c2)cc1 20198019 INSDHSDXSMFNJM-LPYMAVHISA-N 390.867 4.300 50 40 GIGB Cc1ccsc1/C=N/NC(=O)CSCc1cccc(Br)c1 58915692 YSEVCIOSEAGZNN-CAOOACKPSA-N 383.336 4.203 50 40 GIGB Cc1cccc(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)c1 409154471 OPKMGZSAWNSUGA-WSDLNYQXSA-N 393.399 4.001 50 40 GIGB C#CCn1c(C)c(/C=N/NC(=O)Cc2cccc3ccccc23)c2ccccc21 409260213 MQJHMTLNQPOVJC-YZSQISJMSA-N 379.463 4.429 50 40 GIGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1 409363738 MXDIPWMANJSQGO-YDZHTSKRSA-N 395.390 4.249 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 409366130 SRZAIJGWWQCUIT-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB COc1cccc(/C=C(/C#N)c2ccc(I)cc2)c1OC 409367932 OKCNIWNLIGXIBB-UVTDQMKNSA-N 391.208 4.373 50 40 GIGB C/C(=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc(-n2ccnc2)cc1 4864008 ZIRHCCUQTAOYFG-LGUFXXKBSA-N 397.482 4.434 50 40 GIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1cccc(Br)c1 20248323 WAERWYPASOLHDE-KZKLBEMASA-N 377.307 4.470 50 40 GIGB CC(C)COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1 137787242 BTAHPEBRVMXQFE-SRZZPIQSSA-N 383.473 4.105 50 40 GIGB CC(C)NC(=O)/C(C#N)=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 408772378 LDMPWSOTCOIMPM-BOPFTXTBSA-N 388.427 4.029 50 40 GIGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1 989066 LSQYPSUTPDEDNN-OAQYLSRUSA-N 386.455 4.106 50 40 GIGB C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1O 13523660 HBZUFNTXGGIEMG-NLRVBDNBSA-N 399.494 4.105 50 40 GIGB COc1ccccc1NC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1cccs1 13739350 QPUVPYGFTQNREC-KRWDZBQOSA-N 383.498 4.021 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2I)cc1 57395798 LBXAHKYAYJHYLG-UVTDQMKNSA-N 388.208 4.145 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)o1 408722337 HIVSWFYIVRKKEL-YNUYDOSISA-N 381.432 4.440 50 40 GIGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408799882 IZCDLBKXNCGKHH-LFIBNONCSA-N 395.256 4.315 50 40 GIGB Cc1cccc(C(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1 408871047 VMUGNDPXBHSFAP-UCQKPKSFSA-N 389.411 4.246 50 40 GIGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)o1 409366564 WFDSLCVAOHWRDS-WYMPLXKRSA-N 378.819 4.034 50 40 GIGB CCOc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)c(OCC)c1 409392879 SSUAEULRKAULKT-MFKUBSTISA-N 391.471 4.199 50 40 GIGB COc1ccc(NC(C)=O)cc1CP(=O)(c1ccccc1)c1ccccc1 2304247 RBLBSVMBEQFTCZ-UHFFFAOYSA-N 379.396 4.168 50 40 GIGB CCCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1OCC 2768175 LBLPDELJNAAHBV-HMMYKYKNSA-N 378.472 4.140 50 40 GIGB CC(C)COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 2805871 TYSGEOSGIKAHQK-RGVLZGJSSA-N 375.266 4.248 50 40 GIGB COc1ccccc1/C=N/NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3304507 MQIVBBPOLKJGTJ-PCLIKHOPSA-N 396.450 4.312 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)c(O)c1 3410022 CCYSQAGXUOEXCS-KOUDTOEKSA-N 385.533 4.189 50 40 GIGB O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1O 5516273 AVXZBKHTKSBQNW-DHRITJCHSA-N 387.414 4.298 50 40 GIGB CC(C)Oc1ccc(/C=N/NC(=O)CC2(C)SCCS2)c(OC(C)C)c1 409272001 XJIUDGRODZYMGC-UDWIEESQSA-N 396.578 4.297 50 40 GIGB C/C(=N/NC(=O)COc1cccc(C)c1C)c1ccc(Br)s1 14010366 XVOHKSLHAXITCQ-PDGQHHTCSA-N 381.295 4.047 50 40 GIGB O=C(Cc1ccc2c(c1)OCCO2)NNc1c(Cl)cc(Cl)cc1Cl 14824205 JODYHRFLLSOZIB-UHFFFAOYSA-N 387.650 4.104 50 40 GIGB C[C@H](Sc1ncc2ccccn12)C(=O)/C(C#N)=C1/Nc2ccccc2S1 26372896 QOXKUPHPRADSPM-XHAIIGHRSA-N 378.482 4.337 50 40 GIGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O 33341826 VHWXQQXDHKLXJL-SDQBBNPISA-N 375.178 4.136 50 40 GIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(OC)c1 408800612 NYTBRPBZAQJKRC-BFERYNQYSA-N 382.435 4.235 50 40 GIGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 408804305 XHDRWWZCXFPWSB-RVDMUPIBSA-N 381.229 4.007 50 40 GIGB O=C(NC1CCCCC1)[C@H](Br)[C@@H](Br)c1ccccc1 1801137 OTQYHQDFAKWSDZ-UONOGXRCSA-N 389.131 4.335 50 40 GIGB CC[C@@H](Nc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 2747535 FVTVFYTWRSWMBY-SBUZPKSBSA-N 396.274 4.048 50 40 GIGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)ccc2nc1Cl 4168412 ZPCKUKNYVMYTHY-SFHVURJKSA-N 395.846 4.008 50 40 GIGB COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccccc4F)cc3C2)cc1 33913194 QWDBBCRRGCQWQN-MXAYSNPKSA-N 389.430 4.118 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc2c(c1)OCO2 60544233 MYDAIGIQJGLGLB-WQRHYEAKSA-N 391.471 4.179 50 40 GIGB COc1cc2c(cc1OC)CN(C(=O)CCCC[C@H]1CCSS1)CC2 61491984 GZIOVSMXQGLXJG-INIZCTEOSA-N 381.563 4.303 50 40 GIGB biogenic Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 408530721 MOCAISYGPBGQKF-FSJBWODESA-N 392.415 4.034 50 40 GIGB CCCc1nn(-c2ccccc2)c2c1[C@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1472228 WBKANXMDVWKNCX-HXUWFJFHSA-N 386.455 4.052 50 40 GIGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(N)=S 2890169 BHYJXSKGJDSWFQ-NTUHNPAUSA-N 391.265 4.360 50 40 GIGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 15792537 KNNVHKYYRDCQLA-DOMZBBRYSA-N 397.525 4.006 50 40 GIGB N#C/C(=C\c1cc2c(cc1Br)OCO2)Cn1cnc2ccccc21 408691580 GHFZIFVKXVRZQM-LFYBBSHMSA-N 382.217 4.135 50 40 GIGB N#C/C(=C/c1ccc(Br)o1)C(=O)Nc1cccc(Br)c1 408752576 BWIAZHPRGUSASR-TWGQIWQCSA-N 396.038 4.350 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1OCC 408864262 UWYNWWJQKFNSBI-BUVRLJJBSA-N 390.439 4.273 50 40 GIGB COC(=O)c1cc(-c2ccc(/C=N\NC(=O)c3cccc(C)c3)o2)ccc1Cl 408963453 CXJNJEBIQUKFIL-FMCGGJTJSA-N 396.830 4.459 50 40 GIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccn3)c2C)c1 409244028 WNDZIUALAHXTCM-UYRXBGFRSA-N 386.455 4.434 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OC 409246471 BSECVLOSFSTJPV-BOPFTXTBSA-N 384.863 4.013 50 40 GIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 4966242 NNYOUMPNNFJEQD-MDWZMJQESA-N 386.205 4.211 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1C 14134601 GAOSOZICINGGAC-FSJBWODESA-N 395.390 4.304 50 40 GIGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2o1 409072186 JAYIWWGAUOJIOX-UFWORHAWSA-N 378.171 4.412 50 40 GIGB N#C[C@@H](C(=O)N/N=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccccc1 409207286 RGDSEEMFRJUQIP-QVGKIPNLSA-N 387.414 4.162 50 40 GIGB N#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1C(F)(F)F 1070291 SJANKEBHKFOVHV-OAHLLOKOSA-N 384.313 4.030 50 40 GIGB CCOC(=O)c1c(NC(=O)CCl)sc(SC#N)c1-c1ccccc1 3267937 OUIILGQOBXYNEO-UHFFFAOYSA-N 380.878 4.342 50 40 GIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cc1ccc(Cl)cc1 4724593 CCHHQUGPGGBCQA-WSDLNYQXSA-N 387.270 4.180 50 40 GIGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(F)cc1 4814032 ZNONXRODIBQFPN-FBHDLOMBSA-N 387.754 4.411 50 40 GIGB CCCCCCSC1=C(C#N)[C@@H](c2ccccc2C)[C@@H](C(=O)OC)C(=O)N1 6050902 RNTXTVRKFATPHU-QZTJIDSGSA-N 386.517 4.046 50 40 GIGB CCO[P@](=O)(c1ccccc1)c1nc(/C=C/c2ccccc2)oc1N(C)C 102956392 HSOBVNYHWIEAEY-QLWPUQSHSA-N 382.400 4.176 50 40 GIGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1 639219 GILWWSKOOCDRJT-QGZVFWFLSA-N 391.496 4.014 50 40 GIGB C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(NC(=O)Cc2ccccc2)cc1 15934567 IVPKOJAFEVZOSE-WGOQTCKBSA-N 389.430 4.161 50 40 GIGB O=C(Cl)c1ccc(OCc2ccccc2F)c(I)c1 217710515 CBPCKCKVBNUIIQ-UHFFFAOYSA-N 390.579 4.388 50 40 GIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CCSc2ccc(Cl)cc2)cc1 408719271 AZKPTRQLIUXYER-LPYMAVHISA-N 389.908 4.321 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1O 408804885 ZVKQLTGTOXACKM-RBYWHNRPSA-N 376.456 4.304 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)cc2)cc1 408888059 WFLFEAXCFZDESI-CPNJWEJPSA-N 392.455 4.444 50 40 GIGB COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OCC(=O)O 409046154 IWYMUVGWPLMVMP-WUXMJOGZSA-N 384.775 4.017 50 40 GIGB CCOC(=O)c1c(NC(=O)N/N=C/c2cccs2)sc2c1CC[C@H](C)C2 943711 RCJJRCZNNZIQLR-VSMYLPJWSA-N 391.518 4.267 50 40 GIGB O=C(CCl)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 1400743 BRFBGZQRWMZUIO-PGMHBOJBSA-N 397.645 4.026 50 40 GIGB O=C(COc1ccc(Br)c2ccccc12)N/N=C\c1cccs1 4724235 USSDJYQEJKGVGV-GRSHGNNSSA-N 389.274 4.193 50 40 GIGB C[C@H]1CCC/C(=N\NC(=O)c2ccc(C(=O)N/N=C3\CCC[C@@H](C)C3)cc2)C1 5919804 PUFVVOOSLVBTEE-YRQICPAYSA-N 382.508 4.278 50 40 GIGB COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 12362494 IUZPSGHIALCCEJ-SSDVNMTOSA-N 394.258 4.137 50 40 GIGB Cc1ccc(Cn2nc(C)c(/C=C(\C#N)C(=O)NCc3ccccc3)c2C)cc1 13137658 FAKBRWBHFFBDKE-LPYMAVHISA-N 384.483 4.080 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)[C@H](C)Cl)c1 14405062 XTLXDRJOICOCJD-ZDUSSCGKSA-N 396.878 4.307 50 40 GIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)o1 20194367 HHXQNCQDCDUTJX-ZVHZXABRSA-N 390.439 4.043 50 40 GIGB CC/C(=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccc(F)cc1 25196500 JAPGHMQJCPXHAN-LSFURLLWSA-N 389.645 4.307 50 40 GIGB C[C@@H](Sc1nccn1-c1ccccc1)C(=O)C(C#N)=C1Nc2ccccc2N1 32801727 JPXHWQSNQGFQLT-CQSZACIVSA-N 387.468 4.195 50 40 GIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)o1 57666309 QBVXOFFBTLBATB-YDZHTSKRSA-N 396.830 4.079 50 40 GIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)c1 59427005 ZYXCMOJCOHHMJN-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB O=C(NN=C1CCCCCC1)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444755 PLWNUVUTXCYWIF-UHFFFAOYSA-N 379.460 4.031 50 40 GIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Cl 408790235 OCTIQTHJLLMVEK-MHWRWJLKSA-N 398.846 4.136 50 40 GIGB N#CC1=C2SCN(c3ccccc3F)CN2C(=O)C[C@@H]1c1ccccc1F 2440482 FLVFMXJXEKKOHO-CQSZACIVSA-N 383.423 4.184 50 40 GIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccccc1Cl 4966336 HGKLOEGLNKPQMT-VGOFMYFVSA-N 391.254 4.363 50 40 GIGB Cc1nn(-c2ccc(Cl)cc2)c(O)c1/C=C(\C#N)c1nc2ccccc2[nH]1 5285779 WKUPTGDQDLMEJF-JLHYYAGUSA-N 375.819 4.480 50 40 GIGB COc1ccc(/C=N\NC(=O)C2c3ccccc3Oc3ccccc32)c(OC)c1 30802831 ZZYZMLOFCKADHN-OYKKKHCWSA-N 388.423 4.092 50 40 GIGB O=C(N/N=C\c1c[nH]c2ccccc12)c1cc2cc(Br)ccc2o1 36476578 GDFQNHBNFCXMAB-FBHDLOMBSA-N 382.217 4.441 50 40 GIGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1C(C)=O 408766406 QBCSJHYDUJNTLL-ZROIWOOFSA-N 399.244 4.206 50 40 GIGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2OC)c1 409230417 CYNYETIKDGWRPF-AQTBWJFISA-N 391.471 4.240 50 40 GIGB N#C/C(=C/Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2o1 5338203 ZRBSZJOWSSIMAN-HJWRWDBZSA-N 385.723 4.274 50 40 GIGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@@H]1c1ccc(C(F)(F)F)cc1 5945443 YRHWPSOZFSZDKX-MRXNPFEDSA-N 384.313 4.030 50 40 GIGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Cl)cc1 8741277 GADYBDHFZHVOBF-SSDVNMTOSA-N 396.790 4.199 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(C)cc3)o2)cc1Cl 15018737 FZSQKEISHGEIDU-FMCGGJTJSA-N 396.830 4.459 50 40 GIGB O=C(CSCc1ccc2ccccc2c1)N/N=C/c1ccccc1[N+](=O)[O-] 408726250 KIDPSSSLPHFTTH-CIAFOILYSA-N 379.441 4.132 50 40 GIGB CC(C)(COCc1ccccc1)CO[P@@](N)(=O)N(CCCl)CCCl 2031706 PKHJDDBFPXQGLP-XMMPIXPASA-N 397.283 4.092 50 40 GIGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccc(-c3ccccc3)o1)Nc1ccccc12 2258784 CTAFCHVIENENBD-OAQYLSRUSA-N 377.407 4.405 50 40 GIGB Cc1ccc(CO/C(=C(\C#N)c2nnc3n2CCCCC3)C(F)(F)F)cc1 3322011 JTTRYJPGDXTKES-BMRADRMJSA-N 376.382 4.327 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccs1 5582360 UFXXSKUYGZPYHV-GIJQJNRQSA-N 375.793 4.334 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(C#N)cc1 6961543 MAALOIYXCADJID-ZMOGYAJESA-N 376.847 4.383 50 40 GIGB CC(C)(C)c1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 20243943 MHZXSLCTJPZBDP-CIAFOILYSA-N 385.489 4.276 50 40 GIGB COc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCc1ccc(Cl)cc1 32116943 RDUAHIPXPNWNCL-CFRMEGHHSA-N 395.846 4.087 50 40 GIGB CCOc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 51367126 LSEBXPVYZGSTHP-AOMKIAJQSA-N 386.451 4.294 50 40 GIGB O=C(CCSc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 59473536 FIKDQNKWRJMAHG-KGENOOAVSA-N 395.440 4.487 50 40 GIGB CN1/C(=C(\C#N)C(=O)CSc2ccc(C(F)(F)F)cn2)Nc2ccccc21 103056800 SRAYRPWPLVXDRX-SFQUDFHCSA-N 390.390 4.059 50 40 GIGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)Nc1ccc(Cl)cc1 4106474 KNVXEIHSXUEJDW-RVDMUPIBSA-N 396.834 4.394 50 40 GIGB CCn1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc21 9489258 UBIZRHZYGTYIGP-OPEKNORGSA-N 388.393 4.242 50 40 GIGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C\c3cccc(Cl)c3Cl)o2)n1 32705923 IRWLFJHDLNQJDH-NKVSQWTQSA-N 391.258 4.212 50 40 GIGB O=C(Cn1ccc2ccccc21)N/N=C/c1cccc(OCc2ccccc2)c1 199418356 PCSMDFGLARSUSK-PCLIKHOPSA-N 383.451 4.371 50 40 GIGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2c(C)c(C)cc(C)c32)cc1 226762888 RCHMXVPZIDGBEJ-LJQANCHMSA-N 386.451 4.499 50 40 GIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CC)c2C)cc1 408803362 NZMRFPMOHSNQAC-OOWUWCJESA-N 393.487 4.093 50 40 GIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 409015365 RSNMEFTXMITPAV-ZICWZVMQSA-N 375.812 4.189 50 40 GIGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1C 2147613 CJAQBFKRRYVPIB-SSDVNMTOSA-N 392.286 4.479 50 40 GIGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4501740 KBABQVARBGBDFQ-QINSGFPZSA-N 389.367 4.409 50 40 GIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(Cl)cc1 14134473 KPXOZUIUMFZHLY-BUVRLJJBSA-N 376.843 4.198 50 40 GIGB CC1=C[C@@]2(Nc3cc(-c4ccccc4)cc(Br)c3O2)C(C#N)=C(N)O1 40546280 BCMJVGOHLLYVHS-IBGZPJMESA-N 396.244 4.245 50 40 GIGB C#CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1 408543170 MYHWEKRMIWLDEC-JXAWBTAJSA-N 396.402 4.096 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1cccnc1 408963747 AORAVLNTLSQFMB-OPEKNORGSA-N 386.377 4.272 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccccc1Br 408999697 XKDWLFQRLDWANF-RGVLZGJSSA-N 386.249 4.214 50 40 GIGB CCCCCOc1ccc(O[C@@H](C)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 3175066 OHYMEPBHSPLKRZ-PZBNQXIHSA-N 399.447 4.081 50 40 GIGB C/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1O 5381529 WTZVJYLWVWSVDT-AWQFTUOYSA-N 387.650 4.272 50 40 GIGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(Cl)cc1 6232719 CYRFHQCBXPWKGD-SSDVNMTOSA-N 387.270 4.311 50 40 GIGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/C=C1\N(C)c2ccccc2C1(C)C 12547057 PRRGUJZAEYUSFD-LHQUBTJVSA-N 397.906 4.441 50 40 GIGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(F)c(N3CCCC3)cc2C)c1 33667462 NCAKEZGRJHAWLN-BOPFTXTBSA-N 379.435 4.289 50 40 GIGB Cc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(Oc3ccccc3)cc2)cc1 59472525 SLSZWWYNOPZTRJ-UHFFFAOYSA-N 384.439 4.244 50 40 GIGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(=O)O)c2)o1)c1ccccc1 409222237 WGHNARCPPOMSGI-SJPXOZHESA-N 386.407 4.429 50 40 GIGB CCOc1ccc(/C=N/NC(=O)C(Oc2ccccc2)Oc2ccccc2)cc1 2080239 BGLDOPBDQQUPML-JJIBRWJFSA-N 390.439 4.020 50 40 GIGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N3C2)cc1 2347289 LWYMDDMGHSKMIH-GOSISDBHSA-N 395.459 4.054 50 40 GIGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1 5539360 YDTBEXKGDKWKRI-MFKUBSTISA-N 388.467 4.412 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 7993711 FPZYDRVAWXJLND-QGMBQPNBSA-N 384.244 4.144 50 40 GIGB O=C(NNC(=O)c1ccccc1C(F)(F)F)c1cc2c(s1)CCCCC2 25447064 WAVRDZDODZBSDY-UHFFFAOYSA-N 382.407 4.111 50 40 GIGB O=C(CCCC[C@@H]1CCSS1)N1CCC(c2nnc3ccccn23)CC1 28738352 KPZPRVCRDJRSNS-MRXNPFEDSA-N 390.578 4.149 50 40 GIGB biogenic COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCc4ccccc43)o2)cc1 41074217 WXLIEBGAIGQRJE-XMHGGMMESA-N 398.418 4.229 50 40 GIGB Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C 409098484 OZARRWJVAUMMQA-AQTBWJFISA-N 395.890 4.339 50 40 GIGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(F)cc3)c2C)cc1 409236198 RYWMQOSYFUTYLV-MYYYXRDXSA-N 393.462 4.325 50 40 GIGB Cc1n[nH]c2c1[C@@H](c1ccc(-c3cccc(C(F)(F)F)c3)o1)C(C#N)=C(N)O2 818759 PMXAQWDHBFMYGP-MRXNPFEDSA-N 386.333 4.215 50 40 GIGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(-c3ccccc3)o1)Nc1ccccc12 2258783 CTAFCHVIENENBD-NRFANRHFSA-N 377.407 4.405 50 40 GIGB ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H](Cl)[C@@H]4O[C@@H]4[C@@H]3[C@@]1(Cl)C2(Cl)Cl 2382701 ZXFXBSWRVIQKOD-WOBUKFROSA-N 389.320 4.453 50 40 GIGB in-vitro Cc1ccccc1-n1ncc(C(=O)N2CCSSCC2)c1C(F)(F)F 89697010 WXIZJZIGIIUYEM-UHFFFAOYSA-N 387.452 4.037 50 40 GIGB O=[P@@](Nc1ccc(Cl)cn1)(c1ccccc1)c1nc2c(s1)CCCC2 101023707 GFBWGIDBQGVIBN-DEOSSOPVSA-N 389.848 4.411 50 40 GIGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 103211214 FGJNYFXZKUUTPQ-PYSLLVJISA-N 387.698 4.332 50 40 GIGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2)c1C 408591407 SUXYJUNXRNTXEJ-BUVRLJJBSA-N 389.455 4.035 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1C 409187931 VTMYZZYCIDMXBW-UNOMPAQXSA-N 392.455 4.180 50 40 GIGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1Cl 409316882 MXIRJSXNFCVNJH-XKZIYDEJSA-N 390.867 4.300 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 5661604 DWTMVPZESSTSNN-QINSGFPZSA-N 389.367 4.409 50 40 GIGB ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H](Cl)[C@H]4O[C@H]4[C@@H]3[C@@]1(Cl)C2(Cl)Cl 2510352 ZXFXBSWRVIQKOD-HZHHOTTHSA-N 389.320 4.453 50 40 GIGB C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OC)c1O 6230006 QWHRRUCHAYTABO-ZVHZXABRSA-N 390.439 4.055 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC 48333124 VMSQUSQNHQNHGO-NSIKDUERSA-N 385.803 4.266 50 40 GIGB CCCCCCCCC/C(=N\NC(=O)c1ccncc1)c1ccc(O)c(O)c1O 104376895 LGDNABUDFVHCBN-HKOYGPOVSA-N 399.491 4.473 50 40 GIGB COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 409144353 KRRHQMLUULRXSY-WGOQTCKBSA-N 397.478 4.391 50 40 GIGB C[C@H]1Cc2ccccc2N1C(=O)[C@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 4185848 FLVKQSUCJXTORD-XUQGBBHRSA-N 390.321 4.123 50 40 GIGB CCOc1cc([C@@H]2C(C#N)=C(N)Sc3n[nH]c(-c4ccco4)c32)ccc1OC 5343905 UYZCJCIOLHRAHR-MRXNPFEDSA-N 394.456 4.008 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 7009328 CTEVSDYBKFDCEZ-SSDVNMTOSA-N 398.806 4.070 50 40 GIGB Cc1cc(N2CCCC2)c(C)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 7386995 SSRRAMSZHBXPGM-KOEQRZSOSA-N 390.531 4.268 50 40 GIGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC)cc1 20197842 AKFIXABUBXOBKG-UDWIEESQSA-N 391.265 4.010 50 40 GIGB O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(Cl)c(Cl)c1 408727499 PZRMLJURJWIKRA-UFWORHAWSA-N 398.271 4.285 50 40 GIGB CCOC(=O)c1sc(NC(=O)c2ccc(C(C)=O)cc2)c(SC#N)c1C 4088269 UORNLHGYOCTKNH-UHFFFAOYSA-N 388.470 4.261 50 40 GIGB COC(=O)c1cc(C(=O)CBr)ccc1OCc1ccc(Cl)cc1 85397477 GGXGUVAORGJUMD-UHFFFAOYSA-N 397.652 4.283 50 40 GIGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1cccc2c(Cl)cccc12 226366114 WDNFPCXODCBSPC-UHFFFAOYSA-N 377.831 4.048 50 40 GIGB CO[C@H](C(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)c1ccccc1 408720281 XNDNQDNWQPNTSX-AJPHYDNBSA-N 388.467 4.412 50 40 GIGB Cc1cccc(COc2ccc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)cc2)c1 409201133 NWCXRYDOCCXBGI-VUEBRRCKSA-N 383.451 4.332 50 40 GIGB N#C/C(=C/c1ccc(N2CCCC2)cc1F)C(=O)NCCCc1ccccc1 409248577 HDZGXYVLZSETHZ-HKWRFOASSA-N 377.463 4.082 50 40 GIGB Cc1ccccc1OCCCOc1ccccc1/C=N/NC(=O)c1ccncc1 4675211 JYUKFRPIOKQRRC-KOEQRZSOSA-N 389.455 4.002 50 40 GIGB CC[C@H](C)[C@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 103642797 ZSDLNKUZTBFNOB-DJJJIMSYSA-N 379.412 4.329 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(N(CCCl)CCCl)cc1 1723548 GCDQWUWSWLIGSB-LPYMAVHISA-N 398.721 4.388 50 40 GIGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)N=C(O)[C@H](C#N)C12CCCCC2 2357501 SKEHIMZZANDMHP-HNNXBMFYSA-N 398.463 4.293 50 40 GIGB Cc1ccc(S(=O)(=O)/C(C#N)=C\Nc2ccc(OC(F)(F)F)cc2)cc1 2561572 MMVKWIMVDYFUAL-WJDWOHSUSA-N 382.363 4.144 50 40 GIGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)c1 9087106 KGZYGDWNEZEQSJ-UFFVCSGVSA-N 389.242 4.156 50 40 GIGB C=CCc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(OCC)c1O 59303123 MZSMJKVRQJNXTF-LFVJCYFKSA-N 389.455 4.074 50 40 GIGB NNC(=O)COc1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 96191291 JFGKYHYYOPJHGI-UHFFFAOYSA-N 383.451 4.180 50 40 GIGB CN(C(=O)CCl)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253499496 IMPPITSCOUNNJN-KTTLASIPSA-N 381.988 4.456 50 40 GIGB biogenic COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccc3ccccc3c2)c1 408598667 HXBCOXDXAPEIAI-SRZZPIQSSA-N 399.244 4.080 50 40 GIGB Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)N(C)C4=C3C(=O)CCC4)cc2)cc1 409137876 XBFXYVUNBKKRDQ-HSZRJFAPSA-N 399.494 4.304 50 40 GIGB O=C(c1ccc(OC(F)(F)F)c(F)c1)[C@H](Br)CBr 575361227 VIAZBOLRJODJQU-ZCFIWIBFSA-N 393.956 4.065 50 40 GIGB O=C(NNc1ccccc1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 824845 UJCITRBBDINQET-UHFFFAOYSA-N 387.266 4.373 50 40 GIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(Cl)cc1Cl 1249178 NPSODZYFGDJTNH-UFWORHAWSA-N 380.256 4.377 50 40 GIGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)[C@H](O)c1ccccc1 2347448 ZAVWMQCFNZRBDT-NMONLQQWSA-N 389.238 4.437 50 40 GIGB Cc1cccc(OCCC(=O)NNC(=O)c2sc3ccccc3c2Cl)c1 3361712 QMGRFPXQXUUDML-UHFFFAOYSA-N 388.876 4.093 50 40 GIGB COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)o1 4137490 BVWXYQMEOGTCBJ-WYMLVPIESA-N 397.390 4.446 50 40 GIGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccc(Cl)cc1Cl 7164246 WPZFBGWQOCOQJX-KPKJPENVSA-N 391.210 4.002 50 40 GIGB O=C(CCC1CCCC1)NNc1nnc(-c2ccccc2)n1-c1ccccc1 31670863 PVFUVNMFXJSHDD-UHFFFAOYSA-N 375.476 4.348 50 40 GIGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1N1CCCC1 33497573 ZJFCIPBJGWGMHY-XKZIYDEJSA-N 392.415 4.014 50 40 GIGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(OC)cc2)cc1OC 33708736 WZVMAOXNQBIWMS-AEOXGOBCSA-N 390.867 4.298 50 40 GIGB COc1cc(C(=O)NNc2cccc(Cl)c2)ccc1OCc1cscn1 37170817 DICOBCPSBZCKIO-UHFFFAOYSA-N 389.864 4.141 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccccc1OC 38585126 MPTIQBGZYBEOSR-IWIPYMOSSA-N 392.455 4.166 50 40 GIGB COc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc(F)c3)cc2)cc1 95471161 JYSYCZWUUNSUKS-MYYYXRDXSA-N 392.430 4.106 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OCC 408972298 OYYNSDKELZNZSY-LPYMAVHISA-N 382.416 4.003 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)o2)cc1Cl 409040533 GKISKHPUERANFC-FOKLQQMPSA-N 396.830 4.330 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1O 409049794 XKAJCZRUOSMRHK-LPYMAVHISA-N 393.399 4.006 50 40 GIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cncc(-c2ccc(F)cc2)c1 664529 SNRJDSFFHCNDAP-FQEVSTJZSA-N 389.430 4.339 50 40 GIGB CCOc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc(Cl)c(Cl)c2)cc1 864622 MRXKLPZKNHRTHR-OVMKCGGTSA-N 380.275 4.343 50 40 GIGB Cc1ccccc1NC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]([C@H]2ON1c1ccccc1)[C@H](Cl)C3 2348844 KAQDAEQXVSETDF-KFNVQHRESA-N 382.891 4.386 50 40 GIGB O=C(CNc1ccc(Cl)cc1Br)N/N=C/C=C/c1ccccc1 3148345 XWHRLTJBYPFKKF-XREZVLSMSA-N 392.684 4.330 50 40 GIGB CCOc1ccc([C@H](O)P(=O)(c2ccccc2)c2ccccc2)cc1OC 3157648 YAHUFOAYKGNOPS-JOCHJYFZSA-N 382.396 4.099 50 40 GIGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC)cc1OCC 6324598 GCXSDXBBMWQNED-XKZIYDEJSA-N 390.867 4.300 50 40 GIGB Cc1cccc(-n2cccc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1C 13140653 GTVVGDIKTVMMBK-KOEQRZSOSA-N 386.499 4.458 50 40 GIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)o1 14134607 YOABMFNRZPYMDM-ZVHZXABRSA-N 390.439 4.043 50 40 GIGB C[C@@H](Sc1ncc2ccccn12)C(=O)/C(C#N)=C1/Nc2ccccc2S1 26372894 QOXKUPHPRADSPM-QJGCXADHSA-N 378.482 4.337 50 40 GIGB COc1ccccc1NC(=O)N/N=C\c1ccc(-c2ccc(C(=O)O)cc2C)o1 408961267 LZOILNNHKATBTB-UUYOSTAYSA-N 393.399 4.117 50 40 GIGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)o2)cc1 409014147 FPGMARBLVIOXOI-FSJBWODESA-N 379.803 4.001 50 40 GIGB Cc1ccc(OCC(=O)N/N=C/c2c(F)cccc2Cl)c(Br)c1 944162 GXSCZAUCZOUPBP-DNTJNYDQSA-N 399.647 4.079 50 40 GIGB CCCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(OC)ccc2O)cc1 3079977 BDNOJMXVRDXQOL-HZHRSRAPSA-N 397.475 4.074 50 40 GIGB CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C#N)cc2)cc1 3315845 WLWHEFOFALUEID-LFVJCYFKSA-N 379.460 4.046 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 4985311 GYUVWSGVGVLXED-WLDRKFQYSA-N 399.487 4.149 50 40 GIGB CC[C@H](C)Oc1ccccc1/C=N/NC(=O)c1cccc(Br)c1 408601976 MOYJNBZWRYXDPS-DZUMZMOTSA-N 375.266 4.390 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(SC#N)c1O 409053871 DEBKFHJLMFVTNO-SDQBBNPISA-N 385.832 4.173 50 40 GIGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)C(c1ccccc1)c1ccccc1 409390185 BXPKTGFODVDSPH-ZMOGYAJESA-N 392.842 4.351 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 2102335 GBGZYOWNNPNMEB-UMYHVIPVSA-N 393.270 4.476 50 40 GIGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3s2)o1)c1cccnc1 59459233 DPCFHAFHGJOWLX-RGVLZGJSSA-N 380.454 4.199 50 40 GIGB O=C(N/N=C\c1cc(Cl)ccc1O)c1cc2cc(Br)ccc2o1 83329038 VQVWFWXNRNVMLS-UWVJOHFNSA-N 393.624 4.318 50 40 GIGB CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408799946 LWNJMPHSGHWZPC-LFIBNONCSA-N 398.846 4.461 50 40 GIGB CC(=O)N/N=C/c1cc(C)n(-c2ccc(OCc3ccccc3F)cc2)c1C 409015095 AJASFRSZTKCWKS-ZMOGYAJESA-N 379.435 4.282 50 40 GIGB Cc1cccc(COc2ccc([C@H]3C(C#N)=C(N)N(C)C4=C3C(=O)CCC4)cc2)c1 409127409 HJBDOZACULKJSI-QHCPKHFHSA-N 399.494 4.304 50 40 GIGB COc1ccccc1NC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1ccc(C)o1 876086 WRIMVSONHDXTTI-LJQANCHMSA-N 395.484 4.294 50 40 GIGB Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)c2c1 1008022 LZZQQEXAJXDQLR-SRZZPIQSSA-N 394.456 4.002 50 40 GIGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C/c1ccc(Br)cc1 1449354 LPKMEOIMRPQOPK-QDBSGRMGSA-N 395.684 4.329 50 40 GIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2271139 LLUVAXZIPVDHEF-NTCAYCPXSA-N 389.367 4.409 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)c(OCCC)c1 3174786 YCBKQDVNBIMVTJ-HZHRSRAPSA-N 384.476 4.102 50 40 GIGB O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1cccnc1 5172522 SDLTULUJSXPMIE-BHGWPJFGSA-N 383.810 4.217 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1OC 5526795 KQRFDUHGRRSGMR-BUVRLJJBSA-N 390.439 4.143 50 40 GIGB O=C(N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccccc1O 6257819 HZIOLYLLJVRVTC-AFUMVMLFSA-N 387.414 4.298 50 40 GIGB Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1-c1ccc2ncccc2c1 408967437 RKQHRIQSMDANEC-QFEZKATASA-N 384.439 4.112 50 40 GIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 409231598 KFMCIJFVTSBDCI-UUYOSTAYSA-N 394.431 4.139 50 40 GIGB CCc1cc(C)cc(OCCn2cc(/C=N/NC(=O)OC)c3ccccc32)c1 4091872 HVFXWCOXBFGEBF-OEAKJJBVSA-N 379.460 4.281 50 40 GIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(Sc3ccc(C)cc3)o2)c1 33665441 MOTFEVTYVJMGET-LPYMAVHISA-N 393.468 4.462 50 40 GIGB CCc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 58871451 CGQKIKGQRQCQSY-HYARGMPZSA-N 377.469 4.327 50 40 GIGB FC(F)(F)Oc1cccc2c1[C@H]1O[C@@H]2[C@H](Br)[C@H]1Br 95486415 HSIDXHJLTRZTTC-DOLQZWNJSA-N 387.977 4.238 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC#N 408797217 QLLWULWTZCRKOQ-LDADJPATSA-N 375.428 4.150 50 40 GIGB N#C/C(=C/c1cccn1-c1ccccc1F)C(=O)NCCc1c[nH]c2ccccc12 408949648 IPGDBZAAOBWTFY-JXAWBTAJSA-N 398.441 4.364 50 40 GIGB Cc1cc(C)cc(NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c1 1410849 NRIJFIHOBVANFT-UHFFFAOYSA-N 389.524 4.453 50 40 GIGB COc1ccc2c(c1)C(c1ccc(N(CCCl)CCCl)cc1)=NCC2 1736836 WFPXFGCECGKRBQ-UHFFFAOYSA-N 377.315 4.373 50 40 GIGB COc1ccc(CSCC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1 5205548 IJKPDYVRSZKNKJ-ZMOGYAJESA-N 390.508 4.331 50 40 GIGB C/C(=N/NC(=O)c1cccc(F)c1)c1cccc(NC(=O)C2CCCCC2)c1 5381307 WYIBIVKVXZJHEQ-MYYYXRDXSA-N 381.451 4.499 50 40 GIGB CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C(C[C@H](CC)CC2)[C@H]1c1ccccc1 16636833 QDGRPBRRSWBNGH-ZFUCPZCZSA-N 375.472 4.100 50 40 GIGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 408745486 MRNGIJQUUBXULZ-GDNBJRDFSA-N 398.846 4.468 50 40 GIGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 3127206 SWJNRDFQLQJMEV-FYJGNVAPSA-N 383.245 4.402 50 40 GIGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cc2cc(Cl)ccc2oc1=O 4551136 OJIMGJCMBSOHOX-UFFVCSGVSA-N 375.211 4.254 50 40 GIGB CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O 16741529 OTQVVJIMACIJKW-PDGQHHTCSA-N 378.403 4.478 50 40 GIGB O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cccc(F)c1 59250249 DQALZROGXJLQQN-CIAFOILYSA-N 386.224 4.143 50 40 GIGB CC1(C)CC(NC(=O)[C@@]23CC[C@](C)([C@@H]2Br)C3(C)C)CC(C)(C)N1 100848712 VEOCQHPHVDVKDX-MJXNMMHHSA-N 385.390 4.002 50 40 GIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(O)c(Cl)c2)cc1 408799496 ZPJUPCNTSLKSFU-WUXMJOGZSA-N 391.210 4.031 50 40 GIGB CCCCc1ccc(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 3067901 WEXWKVAOQZBVNH-WSDLNYQXSA-N 392.286 4.425 50 40 GIGB CCc1ccc(NC(=O)CCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 3067999 OIYLQDQNCIHKAD-WSDLNYQXSA-N 392.286 4.425 50 40 GIGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 5747139 QVYUYOZXYHSMFK-DNTJNYDQSA-N 384.650 4.044 50 40 GIGB CCOc1cc(C(=O)N/N=C(\C)c2ccc(F)cc2)cc(OCC)c1OCC 6487410 HLKXCHBVJRAEDN-OEAKJJBVSA-N 388.439 4.176 50 40 GIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(N3CCCC3)o2)cc1 59138248 BGZRZCLCIQQAOB-HZHRSRAPSA-N 376.460 4.051 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccccc1 59333728 SBJBUCVTNDJWBB-STZFKDTASA-N 390.483 4.388 50 40 GIGB C[Si](C)(C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169806640 RRTQSIZKLRQABZ-UHFFFAOYSA-N 386.233 4.468 50 40 GIGB CN(C)C(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 198643819 NDOLFFDXMZTOJB-UHFFFAOYSA-N 390.487 4.239 50 40 GIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)O)cc1 208350465 ZMWHEJAEMLMVFL-GRRFOWRYSA-N 384.819 4.046 50 40 GIGB Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)c(C)c1 408954649 UHIMXKWWDMYODM-HAHDFKILSA-N 375.476 4.316 50 40 GIGB Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1 408995809 DYSQSJWZNJGRPG-ZFZVQQNOSA-N 383.451 4.411 50 40 GIGB Cc1ccc2cc([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(=O)[nH]c2c1 876458 NSBPWNYHBMAWBH-NRFANRHFSA-N 379.419 4.208 50 40 GIGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N3C2)cc1 4922757 BMORSNNMCSFTJU-KRWDZBQOSA-N 379.460 4.354 50 40 GIGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(N)=O 4966349 JXXTTXWABZOASM-NTUHNPAUSA-N 391.652 4.074 50 40 GIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(F)cc3)c2C)cc1 6935024 MCUUCAWQIIPJPE-ZVHZXABRSA-N 379.435 4.396 50 40 GIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 7157007 LQKBRVUTXPFKPY-AWNIVKPZSA-N 385.217 4.032 50 40 GIGB CC(C)c1ccc(NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C)cc1 15423136 PHMDECAYJNTTDP-MRXNPFEDSA-N 383.330 4.064 50 40 GIGB Cc1cc(C)cc(OCC(=O)N/N=C\C(Br)=C\c2ccccc2)c1 34765894 VPRXMTHMULLYIJ-PMECYBTQSA-N 387.277 4.220 50 40 GIGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 409063741 MNQJWPVHXPXKSQ-LPYMAVHISA-N 376.416 4.075 50 40 GIGB COc1ccc(/C=N/NC(=O)C2CC2)cc1COc1cccc(Cl)c1Cl 672987 LRKNDJHALYOJRU-LSHDLFTRSA-N 393.270 4.441 50 40 GIGB COc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 678279 QPYFBMAVWORNOA-FSJBWODESA-N 398.846 4.446 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(F)cc3)o2)cc1 4814033 CYIZELFLYVZJGY-QRVIBDJDSA-N 380.375 4.026 50 40 GIGB COc1ccccc1[C@H]1CC(=O)N2CN(c3cccc(C)c3)CSC2=C1C#N 4923320 AUYOISGNFWXRKR-GOSISDBHSA-N 391.496 4.223 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)cc1 5745930 QVXUGLCRWIGVJB-AWNIVKPZSA-N 385.217 4.032 50 40 GIGB COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1ccc(F)cc1 4180240 JHUQFTHQQOWBBB-MFKUBSTISA-N 392.430 4.106 50 40 GIGB O=C(C(=O)[C@H](Br)c1ccccc1)[C@H](Br)c1ccccc1 4265681 WZJCXRWEUWNMAM-ZIAGYGMSSA-N 396.078 4.397 50 40 GIGB biogenic CC/C(=N\NC(=O)CSCc1ccccc1C)c1ccc(OC)c(OC)c1 4502506 JOYWCLCDBLFKSS-RELWKKBWSA-N 386.517 4.176 50 40 GIGB CC[C@H](C)c1ccc(NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C)cc1 8733033 RVIJMACWIPJSHR-GUYCJALGSA-N 397.357 4.455 50 40 GIGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OCC 8846155 BGJAXVAVLHTHSM-OAQYLSRUSA-N 379.460 4.065 50 40 GIGB O=C(CSc1ccccc1F)NNC(=O)c1sc2ccccc2c1Cl 16063724 NNGCNLSRTWASOR-UHFFFAOYSA-N 394.880 4.247 50 40 GIGB Cc1cccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1C 33742853 HUBZCDZPJSSYKE-AQTBWJFISA-N 385.423 4.338 50 40 GIGB C[C@H]1CCCC/C1=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 102648946 OOGNDSXSWDSASE-LZWMCTGVSA-N 377.488 4.230 50 40 GIGB Cc1c(C(=O)O)cccc1-c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)o1 408857253 TWYOKERJQQQUGZ-FMCGGJTJSA-N 388.379 4.463 50 40 GIGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(Br)o1 993951 YMIVUKFBGBRZQS-CIAFOILYSA-N 399.244 4.385 50 40 GIGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 1434188 OBNBZWHUROUVPD-ZMOGYAJESA-N 395.821 4.495 50 40 GIGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C\c1cc(Cl)cc(Cl)c1O 5664675 MKOPGRMSHHCCTE-NKVSQWTQSA-N 390.226 4.426 50 40 GIGB CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC 7234343 FHKDUFFFDIAQHG-LPYMAVHISA-N 390.867 4.300 50 40 GIGB COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 9089319 RJVQJQFEPLIPDO-UFFVCSGVSA-N 389.242 4.156 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)c(Br)c1 10040136 DKGREDXEUJKHSX-SRZZPIQSSA-N 384.233 4.176 50 40 GIGB Cc1cccc(C)c1NCC(=O)N/N=C\C=C\c1ccc(Br)cc1 13285923 ATHVMKURMPEXGS-NOIOXECSSA-N 386.293 4.293 50 40 GIGB C/C(=N/NC(=O)Cc1c(C)n(-c2ccccc2)c2ccccc12)c1ccccn1 18192856 XLISXQFGWJRYHG-ONUIUJJFSA-N 382.467 4.417 50 40 GIGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)N(c1ccccn1)C1CCCCC1 35375627 JKZMAFLOHQBSIS-ATVHPVEESA-N 375.428 4.083 50 40 GIGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1 408803085 LDTCUYSDVFCPEL-RVDMUPIBSA-N 384.819 4.048 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)cc1Cl 409045332 GHBJCNSZSDKIFZ-UFFVCSGVSA-N 399.790 4.286 50 40 GIGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1O 409187671 SYJQWOOHDVCCHE-QRVIBDJDSA-N 394.427 4.038 50 40 GIGB Fc1c(I)ccc(Br)c1CBr 575688677 MLKXFDRKHPECAL-UHFFFAOYSA-N 393.819 4.088 50 40 GIGB CCc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)nc1 4687634 OKMXZDZDIKVUMK-CVKSISIWSA-N 382.467 4.411 50 40 GIGB COc1ccc(-c2cc3ccc(OCCBr)cc3oc2=O)cc1 6760788 JDNXETBSMISWPR-UHFFFAOYSA-N 375.218 4.242 50 40 GIGB biogenic CCOC(=O)c1sc(NC(=O)c2ccccc2OC)c(SC#N)c1C 7345662 VMIWHEJTYFCJPP-UHFFFAOYSA-N 376.459 4.067 50 40 GIGB CCc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 17079064 IQZBBGAMCZMERV-YBEGLDIGSA-N 387.399 4.093 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(C(=O)O)c2)cc1C 33532276 ZKCPQJKESOFIIE-AQTBWJFISA-N 385.423 4.338 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cccc(C)c3)o2)cc1 83262688 PIVGLRZNQQDRDA-UCQKPKSFSA-N 376.412 4.196 50 40 GIGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408529133 IIXXWLGHCZDKNE-DHRITJCHSA-N 378.451 4.104 50 40 GIGB O=C(N/N=C\c1cccn1-c1ccccc1)Nc1cccc(Br)c1 408857145 MYPFGPAFGHEXTL-MOSHPQCFSA-N 383.249 4.395 50 40 GIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1 409146486 SXPFVAZYHDFSEW-UGVMZYNRSA-N 386.542 4.120 50 40 GIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCc1ccccc1F 409237546 XIXKVBRAPLBAKF-QFEZKATASA-N 380.394 4.237 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc2ccccc2c1 1073969 KBPFCLCRCMFTOZ-CIAFOILYSA-N 383.245 4.375 50 40 GIGB O=C(N/N=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1cccc(O)c1 2657095 JSUFNJUSECTADJ-YDZHTSKRSA-N 393.830 4.062 50 40 GIGB C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 4544391 DLFBJOSVLNPMMH-SCELWYEFSA-N 392.430 4.322 50 40 GIGB Cc1cc(N2Cc3ccccc3C2)ccc1/C=C(\C#N)C(=O)NCc1ccco1 4674112 IOZVZKDWZRCAMI-CIAFOILYSA-N 383.451 4.332 50 40 GIGB CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Br 4723618 UXNODSAEVZNTJJ-MHWRWJLKSA-N 385.261 4.071 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br 7157219 NCANTJCXAGRFER-BVTUPMQUSA-N 385.261 4.242 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OCc1ccccc1 8165734 TVTWQBCDTTUKMA-UYRXBGFRSA-N 376.456 4.240 50 40 GIGB CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)[C@H]1C2 21865776 FGJNYFXZKUUTPQ-QWOZDJRYSA-N 387.698 4.332 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1 48301740 JEAOWDLUJMHPPB-MLPAPPSSSA-N 376.334 4.268 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Cl)cc3)o2)c1 408728613 PUAJHNDFWQJNOZ-YDZHTSKRSA-N 396.830 4.079 50 40 GIGB COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3ccccc3)c2C)cc1 408774471 LOQTWXYIFJFISB-UCQKPKSFSA-N 393.512 4.345 50 40 GIGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1 409319212 CAAXJKFKSKNCPL-KQWNVCNZSA-N 382.460 4.203 50 40 GIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 919089 OAEUWWSCDUXKEQ-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB C/C(=N\NC(=O)c1ccccc1OCCOc1ccccc1)c1ccccc1F 5788703 FBCOUNSZKPFOOA-KOEQRZSOSA-N 392.430 4.438 50 40 GIGB O=[P@]1(N(CCCl)CCCl)NCCC2(O1)C1CC3CC(C1)CC2C3 5847979 CXQXMLPPJIWUFJ-MUIMLXHJSA-N 381.284 4.079 50 40 GIGB CC1(C)Cc2ccccc2[C@@](C)(C(=O)NN=C(c2ccccc2)c2ccccc2)N1 6307849 WAOLDCYPJRGYPN-SANMLTNESA-N 397.522 4.395 50 40 GIGB CC(C)(C)c1ccc(NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C)cc1 8733163 YEHDSJIQGPRVDC-MRXNPFEDSA-N 397.357 4.239 50 40 GIGB N#C/C(=C\c1cc2ccccc2nc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 19998194 AORGWCCFUWYJCO-XMHGGMMESA-N 386.411 4.044 50 40 GIGB O=C(Cn1ccc(=O)c2ccccc21)NNc1c(Cl)cc(Cl)cc1Cl 72034175 TYEASBISQMRWOS-UHFFFAOYSA-N 396.661 4.105 50 40 GIGB CCOC(=O)[C@@H](CC(C)C)/N=C\c1ccc(N(CCCl)CCCl)cc1 104045493 LOSLRIVGRKZIFT-QWQBBLJPSA-N 387.351 4.367 50 40 GIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSCc2ccc(Cl)cc2)c1 408719641 ILYNXUZDVOEVSW-LPYMAVHISA-N 389.908 4.072 50 40 GIGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc1 408734345 XRUSSLXVWAIEED-MFKUBSTISA-N 384.483 4.037 50 40 GIGB CCOc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)c2ccccc12 409023094 DAUSSTWNOPAGQV-YSMPRRRNSA-N 399.450 4.316 50 40 GIGB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1OC(F)F)C(C#N)=C(N)O2 2791322 MOGQWVYMSKRHFV-GOSISDBHSA-N 394.381 4.000 50 40 GIGB C/C(=N\NC(=O)c1ccccc1Br)c1ccc(OC(F)F)cc1 5445918 ICIWGLCSANHEBA-KEBDBYFISA-N 383.192 4.205 50 40 GIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2 14152117 LUNILDFTLADTLZ-RVDMUPIBSA-N 377.469 4.443 50 40 GIGB CCOC(=O)N(C)/N=C/c1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 91695286 UREZWMXOUYYCDA-FSJBWODESA-N 394.397 4.256 50 40 GIGB CN(C)c1ccc(/C=N/NC(=O)c2cccc(N3Cc4ccccc4C3)c2)cc1 408734214 DWUFGQSAPNRCBJ-MFKUBSTISA-N 384.483 4.037 50 40 GIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)cc1 3139810 HSOIPYKTQYRSKS-CIAFOILYSA-N 389.293 4.276 50 40 GIGB CC(=O)N(/N=C/c1ccc2c(c1)OCO2)c1nc(-c2ccc(F)cc2)cs1 4478111 VZNXVTXKNVRTQA-ZVBGSRNCSA-N 383.404 4.065 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3C)o2)cc1 6960185 MJMIIIHUKYSQAH-OEAKJJBVSA-N 376.412 4.196 50 40 GIGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NC[C@@H]1CCCO1 28496069 UBVDXNURHAPHQS-JQVXPOPVSA-N 391.254 4.456 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)c2sccc2C)cc(Br)c1O 44028445 YDEUIZPHYOZMMO-VZUCSPMQSA-N 378.247 4.323 50 40 GIGB Cc1nc2ccc(Br)cn2c1C(=O)NN=C1CCCCCCC1 59435404 YRLMJOXXSLJFCE-UHFFFAOYSA-N 377.286 4.235 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1Cl 408599421 UOZOELPPEMVKIZ-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1ccccc1 408780716 IWFVZJDWBUEOGI-VBKFSLOCSA-N 386.367 4.328 50 40 GIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 409015364 RSNMEFTXMITPAV-DQAKUKQTSA-N 375.812 4.189 50 40 GIGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)N=C(O)[C@@H](C#N)C12CCCCC2 2357502 SKEHIMZZANDMHP-OAHLLOKOSA-N 398.463 4.293 50 40 GIGB N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21 2670693 UHHQVYCUDDGERM-PTNGSMBKSA-N 385.383 4.009 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 3038295 LVGWLSUXLBLKCZ-YDZHTSKRSA-N 387.911 4.332 50 40 GIGB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)N1CCCC1 3252173 ZUMFCMVZBIMKFG-UKTHLTGXSA-N 375.259 4.017 50 40 GIGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccccc2O)c2ccccc21 14134732 IPIKUVSMSLLONY-VULFUBBASA-N 394.434 4.031 50 40 GIGB C/C(=N\NC(=O)c1cc(C)nc2ccc(Br)cc12)c1ccccc1O 104213948 JZWBCLJLPHBCPQ-WSDLNYQXSA-N 398.260 4.165 50 40 GIGB CCOC(=O)/C(C#N)=C\c1ccc(OCCOc2ccccc2)c(OCC)c1 4182135 IUVHWYZJZMNJBP-JXAWBTAJSA-N 381.428 4.013 50 40 GIGB C[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1cc(Cl)ccc1O 5528697 UMOMJAVLEGOWNR-XTTRTJGBSA-N 391.905 4.286 50 40 GIGB COc1ccc(N2Cc3ccc(C(=O)N/N=C/c4cccs4)cc3C2)cc1 6027280 SIEGRCWOUFOLBS-WSDLNYQXSA-N 377.469 4.041 50 40 GIGB CCCCCCCCC(=O)N/N=C(\C)c1cccc(NC(=O)CCC(=O)O)c1 8399633 ALPHFEIKELVYHX-XQNSMLJCSA-N 389.496 4.081 50 40 GIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC 14134329 ICLJTPUZWNAQSV-WSDLNYQXSA-N 391.254 4.168 50 40 GIGB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)ccc1Br 59334502 GGKWRSREADOPLS-YBEGLDIGSA-N 386.293 4.160 50 40 GIGB COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408801447 SZEDVUDOZFNPHB-HMMYKYKNSA-N 393.531 4.451 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1cccc(F)c1 408967952 SYLYDHDVZARBQE-BRJLIKDPSA-N 378.382 4.008 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)o1 409371124 FPTKNUHYIIRXJA-CIAFOILYSA-N 376.441 4.266 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2C12c1ccccc1-c1ccccc12 4150197 QAIIWVXEJPWOOE-UHFFFAOYSA-N 388.430 4.478 50 40 GIGB CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCC)c(OCC)c1 6355410 GGBBPIXCTYEWQV-XKZIYDEJSA-N 390.867 4.300 50 40 GIGB N#C/C(=C\c1ccc(OCC(=O)N2CCCCC2)cc1)c1nc2ccccc2[nH]1 9187506 HHKWOCJHIRYXDC-NBVRZTHBSA-N 386.455 4.018 50 40 GIGB CC1(C)[C@H]2CC=C(/C=N/NC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)[C@@H]1C2 21865772 FGJNYFXZKUUTPQ-PGSJMTKXSA-N 387.698 4.332 50 40 GIGB C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N\NC(=O)c1ccccc1Cl 101159139 HJVIRPUCUGVOLA-BHGWPJFGSA-N 397.784 4.493 50 40 GIGB N#CC1=C(N)S[C@H](c2cccs2)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1Cl 103016147 PCLKYWHKVSTKSF-RBSFLKMASA-N 377.878 4.312 50 40 GIGB CC(=O)Nc1cccc(C(=O)N/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 108994513 JUFXLPWWFYEODO-OYKKKHCWSA-N 388.471 4.125 50 40 GIGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408590550 PPIRVTPVRWZGON-ZVHZXABRSA-N 395.890 4.449 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 409068500 GRUHDRKIMUHWTM-MFKUBSTISA-N 376.431 4.406 50 40 GIGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC 409071254 GFRDQPPKMXUAAJ-XSFVSMFZSA-N 386.451 4.290 50 40 GIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 409102929 WTKRNCNTJQASLI-KEBDBYFISA-N 387.779 4.157 50 40 GIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)c(C)c1 409143866 NVXBZCUIWUEKOG-AWEZNQCLSA-N 397.525 4.076 50 40 GIGB CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)c1 409172638 DYLNGXVBBQRZPA-OEAKJJBVSA-N 376.412 4.276 50 40 GIGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1c(F)cccc1F)C(C#N)=C(N)O2 660258 XKKFXIGUOZUFEX-KRWDZBQOSA-N 398.800 4.331 50 40 GIGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(Cl)c1)[C@H](Br)C2=O 4185837 DXTKBFJYTILFLZ-JLZZUVOBSA-N 384.701 4.437 50 40 GIGB Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 6047526 RTRGCJJCIHJISI-UHFFFAOYSA-N 396.531 4.020 50 40 GIGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 11287685 OYDLEZZSEQUOTL-ZWTZFDSSSA-N 378.428 4.247 50 40 GIGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)C1CC1 18032337 WGOIZJWBAPMETO-WYMPLXKRSA-N 390.361 4.026 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 59435311 QJBAXLJSTHXHEO-ZVHZXABRSA-N 378.403 4.177 50 40 GIGB CN(C)c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 83310738 PHLYXELFGIXIMI-JAIQZWGSSA-N 386.249 4.025 50 40 GIGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Cl)[C@H](Br)C2=O 100834631 QFNRBQIMRXBWHH-DQYPLSBCSA-N 384.701 4.437 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC)cc1 408799513 ZIKRCCLSBAXJJO-XNTDXEJSSA-N 384.819 4.071 50 40 GIGB COc1cccc(OC)c1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408968859 CEQKRBYLYQVICW-ZRDIBKRKSA-N 387.233 4.012 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccccc2C#N)cc1 409130063 TXPTYCWDUCHIGA-HSZRJFAPSA-N 395.418 4.061 50 40 GIGB Cc1c(/C=N/NC(=O)CSc2nc3ccccc3s2)c2ccccc2n1C 693804 XSEBKVZAYIHKCF-SRZZPIQSSA-N 394.525 4.339 50 40 GIGB Cc1cc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)ccc1Cl 4689463 YGOXZBXHILIFLV-UHFFFAOYSA-N 394.858 4.155 50 40 GIGB C/C(=N\NC(=O)c1cccc(Br)c1)c1ccc(Br)cc1 5222620 VNZGNYMVSCMDDX-VCHYOVAHSA-N 396.082 4.366 50 40 GIGB N#C/C(=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1nc2ccccc2[nH]1 5286497 DCTVSFFLPIIOAZ-BJMVGYQFSA-N 385.177 4.003 50 40 GIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2cccc(Cl)c2)o1 108178784 MSHMADOHUSSCSE-MTJSOVHGSA-N 383.791 4.201 50 40 GIGB COc1cccc(C(=O)N/N=C/c2cccn2-c2cccc(Br)c2)c1 409014942 QWWJDDBRJLXGKB-FYJGNVAPSA-N 398.260 4.012 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1O 5791101 SHUBPSBZYRJHPR-AQTBWJFISA-N 392.455 4.464 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCCN1CCCCC1 13810518 MLVHOPHJLDWRCF-VKAVYKQESA-N 383.879 4.109 50 40 GIGB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc2)c1C 14405347 PBLWPFYQUBYSQT-GFCCVEGCSA-N 376.888 4.118 50 40 GIGB Cc1cc(/C=N/NC(=O)CC(C)C)c(C)n1-c1cccc(Br)c1 20241397 PSGNDQHVIXHNIX-RGVLZGJSSA-N 376.298 4.353 50 40 GIGB O=C(/C=C/c1ccco1)Oc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1 32144087 BKWWSWRYASGXAD-KGECZUTASA-N 394.814 4.316 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC#N 408745362 MGYMFOVBVQCSAB-PTNGSMBKSA-N 381.819 4.187 50 40 GIGB N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)C(=O)NCCCc1ccccc1 409221538 RRLVDHDUNLLKDK-HKWRFOASSA-N 381.435 4.474 50 40 GIGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1 12372441 CNBFORZCQGLHEE-ATVHPVEESA-N 386.407 4.177 50 40 GIGB O=C(CCCNC(=O)c1ccsc1)NN(c1ccccc1)c1ccccc1 13004240 HBQDDDWNGKOWBH-UHFFFAOYSA-N 379.485 4.128 50 40 GIGB O=C1CCC/C(=N/NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1 103456943 LJCPZXKUCGVEDN-JLPGSUDCSA-N 392.484 4.084 50 40 GIGB C/C(=N\NC(=O)COc1ccc(C)cc1C(C)C)c1ccc(-n2ccnc2)cc1 4863449 IIGUMTCBYXZMRP-XIEYBQDHSA-N 390.487 4.223 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(C[C@@H](CC)CC2)[C@@H]1c1ccccc1 221956316 QDGRPBRRSWBNGH-RSDPBLMXSA-N 375.472 4.100 50 40 GIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 408745427 SBQYEBNMLBPYJE-JYRVWZFOSA-N 386.205 4.211 50 40 GIGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccccc1OCc1ccccc1C#N 408956910 RSRRLVRWVQXGEZ-QBOAVGAOSA-N 387.483 4.414 50 40 GIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(N2CCCC2)c(F)c1 409068871 JTTGTSVJFFVCHU-MXAYSNPKSA-N 393.384 4.138 50 40 GIGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1Cl 409236534 RUHXGUXIZCZJKE-QINSGFPZSA-N 391.814 4.375 50 40 GIGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)[C@H](O)c1ccccc1 409257095 QEPXNKKSBQEKQV-JHXRPTDYSA-N 394.858 4.103 50 40 GIGB O=P(c1ccccc1)(c1ccccc1)[C@H](c1cccs1)N1CCOCC1 1076299 ZYKMWTZILULCIM-OAQYLSRUSA-N 383.453 4.093 50 40 GIGB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/NC(=O)Cc1ccccc1 2663571 AZCUKIAYBFALBC-WSDLNYQXSA-N 387.270 4.180 50 40 GIGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)C(C)C)oc1ccccc12 4577816 UVAHMTDZARCXIG-YDZHTSKRSA-N 381.432 4.071 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(I)cc2)c1 408745671 OEFYHJDIIAFQHU-UVTDQMKNSA-N 388.208 4.145 50 40 GIGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 408781776 FRQWDYJGMHQUGJ-CVKSISIWSA-N 387.458 4.148 50 40 GIGB Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccc(F)cc1 408781836 FDZRQYSVUJJDBK-MSXFZWOLSA-N 399.853 4.416 50 40 GIGB CC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1 409017361 FYWQLMWGDYSKHR-DJKKODMXSA-N 381.657 4.152 50 40 GIGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(C(=O)O)cc1 409136439 RHDCOIUUFFMTES-DNTJNYDQSA-N 397.283 4.075 50 40 GIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)n1 409376946 COCUCFJFUKNLKM-DJKKODMXSA-N 387.443 4.236 50 40 GIGB CC(C)O[C@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br 1615194 KBAJNAKXIYPNNE-OQPBUACISA-N 380.076 4.427 50 40 GIGB COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)([C@H]2Br)C3(C)C)cc1 2666651 ZTGOHZQTJFQOJK-FHLIZLRMSA-N 380.282 4.002 50 40 GIGB CC(C)Oc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)cc1 8748213 YHHHNUJEVYMGCD-SFHVURJKSA-N 390.464 4.267 50 40 GIGB COc1ccc(C(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 13286175 OUHOJPZDTMMFFD-OYKKKHCWSA-N 375.472 4.483 50 40 GIGB C[C@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 100868305 FLVKQSUCJXTORD-KKFOWGLESA-N 390.321 4.123 50 40 GIGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cc2cc(Cl)ccc2o1 409022538 QIYBIZQYTNCTES-WSDLNYQXSA-N 379.803 4.346 50 40 GIGB Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])c2c1 1008020 JZKYEXREYBWRCR-SRZZPIQSSA-N 394.456 4.002 50 40 GIGB O=C(N/C(=C/Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 1882474 NWTGSAQFFQXSSO-SILNSSARSA-N 381.799 4.468 50 40 GIGB N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1cccc(Cl)c1 4674612 YTDPHDHUTMQURH-RVDMUPIBSA-N 391.814 4.375 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC 5743662 NYZZPLIHTRJRCT-NTEUORMPSA-N 384.794 4.045 50 40 GIGB C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1cc(Br)c[nH]1 7863043 LKMOGMGJWZLDEC-SRZZPIQSSA-N 378.314 4.489 50 40 GIGB CCCCCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 12687460 HHGQCYZIGZPJQU-XQNSMLJCSA-N 376.460 4.410 50 40 GIGB O=C(NNc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1C(=O)c1cccs1 40050972 BJMQUCVEJQBLET-AWEZNQCLSA-N 398.315 4.193 50 40 GIGB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(SC#N)c([N+](=O)[O-])c1 100958956 NPBPQPDUPWSMQC-DHDCSXOGSA-N 397.391 4.026 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(C)cc1 408535009 XCLKEHNPDJPFDE-MFKUBSTISA-N 375.472 4.499 50 40 GIGB Cc1ccccc1N1C(N)=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C1CCCC2=O 716441 XCMNCYXUAHONNL-QFIPXVFZSA-N 399.450 4.029 50 40 GIGB CO/C=C/[C@H]1[C@@H](c2ccccc2)C(C#N)=C(c2ccccc2)OC1(OC)OC 4568194 DAEDNFRBFGAXAQ-WDMDMOOOSA-N 377.440 4.458 50 40 GIGB CC(C)COc1ccc(C(=O)N/N=C/[C@@H](C)Cc2ccc3c(c2)OCO3)cc1 5632908 QCONUMDRPHCDBZ-PDYUXYPTSA-N 382.460 4.045 50 40 GIGB Cc1c(C(=O)NNC(=O)c2ccccc2C(=O)c2ccccc2)oc2ccccc12 14200299 LCGCJOCDORZANM-UHFFFAOYSA-N 398.418 4.047 50 40 GIGB CCOC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1 408860828 FYUGRNYBDYBEEN-XNTDXEJSSA-N 384.819 4.071 50 40 GIGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cccs3)o2)ccc1Cl 6179839 VLRNPWSRHQIIPE-KEBDBYFISA-N 388.832 4.212 50 40 GIGB O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cc(Br)ccc1O 33387189 ZBCBUJCPLMKAPH-WSVATBPTSA-N 388.048 4.225 50 40 GIGB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/c2ccc(O)cc2)c1 712014 YNJRXZIUEITEDK-VUEBRRCKSA-N 384.479 4.465 50 40 GIGB Cc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 1051916 NGFFKTNGJMVSBW-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB O=C(O)[C@@H](Br)C1(Br)c2ccccc2-c2ccccc21 1721799 LYXLSXTVAASTBT-CYBMUJFWSA-N 382.051 4.154 50 40 GIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@@H]2C1 4473465 GFOGUBRWYBBOHI-NJAPINKUSA-N 393.288 4.289 50 40 GIGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 5515422 NDDJSYULDWAXBA-MKFNJMOCSA-N 377.853 4.269 50 40 GIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 5883882 VMKQUYGAPPSWLC-SFHVURJKSA-N 390.418 4.223 50 40 GIGB O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1Cl 6223125 UZHGOFOEJJIZOG-GFMRDNFCSA-N 389.842 4.021 50 40 GIGB Cc1ccc(OCCSC2=C(C#N)[C@@H](c3ccc(C)cc3)CC(=O)N2)cc1 6477714 WRHQTQFXBJKHPP-LJQANCHMSA-N 378.497 4.454 50 40 GIGB CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2csc3ccccc23)cc1 83847479 HDLDLQXNNZPUNA-RVDMUPIBSA-N 375.453 4.149 50 40 GIGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1 408955082 VXSKVOGAJPXLRG-HMAPJEAMSA-N 381.867 4.352 50 40 GIGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1 409109415 DKLOTFXUWKGQQG-CIAFOILYSA-N 386.542 4.122 50 40 GIGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 989055 UDESGRLBAASEQX-LJQANCHMSA-N 376.847 4.361 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Br)cc2)[C@@H]2CCCC=C12 1085008 GUSVBKUKGORYQU-NVXWUHKLSA-N 379.261 4.043 50 40 GIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1 4278851 ZXLFOIBSPXBGHV-SRZZPIQSSA-N 391.408 4.432 50 40 GIGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 5528679 MONVTKBMFLARQQ-JZOCJUILSA-N 396.230 4.209 50 40 GIGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(N(CC)CC)cc2)c1C 6311488 BVUUJKIDDAQENP-AQTBWJFISA-N 393.487 4.444 50 40 GIGB C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)C(C)(C)C 13285793 XJIMKBGBVMYPTI-NCELDCMTSA-N 392.547 4.161 50 40 GIGB CC[C@H](Br)C(=O)Nc1nc2ccc(N3CCCCC3)cc2s1 20132486 IWIJVSOPKOWVJH-LBPRGKRZSA-N 382.327 4.399 50 40 GIGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408793617 PQXGVNRBNCEHPI-NTEUORMPSA-N 384.819 4.165 50 40 GIGB O=C(NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccncc1 1244189 WWHUZAVKYWEXOM-UHFFFAOYSA-N 375.819 4.102 50 40 GIGB CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(C)o4)CC(=O)N3C2)cc1 4412404 DHONBKXMXGFPNL-KRWDZBQOSA-N 395.484 4.206 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H]3[C@@H]4CCCC[C@@]43C)o2)cc1 5797041 URKVDFDKNZMMSQ-RDCMYXIFSA-N 394.471 4.400 50 40 GIGB CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)CNc2ccccc2)cc1 6297479 JKGDTUQYDMSARY-YZSQISJMSA-N 386.499 4.275 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)c1 408743579 BFKMIANLIOPIGB-UVTDQMKNSA-N 389.367 4.415 50 40 GIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)c(OC)c2)c1 408747048 YKHNPMQZNQAQOD-BOPFTXTBSA-N 380.444 4.427 50 40 GIGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 408747582 PVZHGYLNURJWPD-YVLHZVERSA-N 382.847 4.137 50 40 GIGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(Br)o1 409000242 NCVFBULTKXORCU-REZTVBANSA-N 387.686 4.079 50 40 GIGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3O)c2C)cc1Cl 409062795 AWIHGVCTPXTPEA-FMCGGJTJSA-N 397.862 4.226 50 40 GIGB CCc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)cc1 656712 KIXVUARLPBWABG-TVYFDWKESA-N 382.847 4.415 50 40 GIGB COC(=O)N/N=C/c1cc(Cl)ccc1OCCCOc1ccccc1C 4599932 NNZXBMRKBXOQKZ-FYJGNVAPSA-N 376.840 4.186 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)Nc3ccccc3)o2)c([N+](=O)[O-])c1 5720361 LXIKQWRGACJEPO-UDWIEESQSA-N 380.360 4.019 50 40 GIGB Cc1ccc2c(c1C)N=C(O)/C2=N\NC(=O)CSc1nc2ccccc2s1 20932169 USIMPVJKCKFFJG-UHFFFAOYSA-N 396.497 4.127 50 40 GIGB Cc1cc(C)c(NNC(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)c(C)c1 1680069782 DVFUJBDIRDWXBG-LJQANCHMSA-N 397.910 4.377 50 40 GIGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1 656794 KYPPUCLZTSEMPI-BVTUPMQUSA-N 385.261 4.242 50 40 GIGB Cn1cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)c2ccccc21 4045399 XUUXSAFAQJCHDA-ZVBGSRNCSA-N 376.243 4.014 50 40 GIGB O=C(COc1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 4132886 IWBAXXNPJXFKBY-ZVHZXABRSA-N 394.858 4.448 50 40 GIGB CCOC(=O)N/N=C(/c1ccc(Cl)cc1)c1c(C)nn(-c2ccccc2)c1O 5444373 KOPCXNCXNUVXLG-PYCFMQQDSA-N 398.850 4.038 50 40 GIGB O=C(/C=C/c1ccc(F)c(Cl)c1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 8353157 YNCXUGWYDIFKIS-DUXPYHPUSA-N 390.886 4.246 50 40 GIGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 10315708 DUKBYESAGKXVGR-PCLIKHOPSA-N 389.499 4.494 50 40 GIGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccc(OC(F)(F)C(F)F)cc1 17080332 VARSSULYIUTFKS-VROXFSQNSA-N 393.340 4.477 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)CSCc2ccc(Cl)cc2)cc1OC 20248971 ZKIJOXJLNDZPEO-FYJGNVAPSA-N 392.908 4.131 50 40 GIGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc(Cl)c1 30809206 LIXGDPIJSHDWQL-JJFYIABZSA-N 396.790 4.199 50 40 GIGB CCOC(=O)[C@H](CC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 103649695 SFNOOYZMYYCNTL-QHCPKHFHSA-N 377.444 4.322 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 408737440 QUKZTAPPLBERIF-MFKUBSTISA-N 376.431 4.406 50 40 GIGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)O)C(=O)Nc1ccccc1Cl 409056060 KOVFCMGOJVVHRB-KPKJPENVSA-N 391.210 4.002 50 40 GIGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)c1 409135295 YEPILTNZNFPAJM-AWEZNQCLSA-N 397.525 4.076 50 40 GIGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NCCc1ccccc1 952332 KDEQWRQEPYZAII-SAPNQHFASA-N 387.395 4.121 50 40 GIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2c(s1)-c1ccccc1CC2 6927927 QWEGUEPNPKABRQ-CIAFOILYSA-N 377.425 4.186 50 40 GIGB O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)c1ccc(N2CCCC2)cc1 7386795 BZRJOKYKUWPZCJ-BUVRLJJBSA-N 377.419 4.450 50 40 GIGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 28911618 COYASAXFYRXJEF-MDWZMJQESA-N 387.233 4.012 50 40 GIGB Cc1cc(C)c(OCC(=O)N/N=C\c2cccc(Cl)c2)c(Br)c1 30900875 AAYRIQGQHCUFFL-UKWGHVSLSA-N 395.684 4.248 50 40 GIGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(O)cc1 59410722 MNEAXMADBUBJQO-YDZHTSKRSA-N 380.831 4.389 50 40 GIGB CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 96669440 GLVKKJRTXGQUTP-TUTDSIAXSA-N 393.399 4.383 50 40 GIGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1OC 408747307 LXOKNVIOKCSBTO-RAXLEYEMSA-N 387.233 4.012 50 40 GIGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OC(C)C 408962330 HLNNMJXACTXOAS-FOKLQQMPSA-N 380.366 4.265 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)c(C)c1 409190516 YRNHAFYOTHDPJT-FSJBWODESA-N 396.830 4.459 50 40 GIGB N#C/C(=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12)C(=O)NC1CC1 872844 YQQZVMTUXATKBZ-DTQAZKPQSA-N 389.430 4.045 50 40 GIGB Cc1cc(C)c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)c(C)c1 2053003 XYYQCRURXVACSH-ZVBGSRNCSA-N 378.259 4.007 50 40 GIGB CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)cc1 4678052 SZBDCTWGUBZVFU-HZHRSRAPSA-N 392.459 4.115 50 40 GIGB CCCCCCOc1ccccc1C(=O)N/N=C1\C(=O)Nc2c(C)cc(C)cc21 6592004 RGRTYVOPWVFOLY-UHFFFAOYSA-N 393.487 4.349 50 40 GIGB C/C(=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccc(F)cc1F 21188291 OQQHCXHDHMVLFL-RREIPUBJSA-N 393.608 4.056 50 40 GIGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(F)c2)cc1OC 107797157 MKFKWQQVNFNNPQ-JHAVZTMOSA-N 378.831 4.429 50 40 GIGB O=C(COc1ccccc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1 408528216 UKJCJHNCDCWQMD-ZVHZXABRSA-N 394.858 4.448 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1OCC 408719377 CUFUIQHODQJFKU-PZBNQXIHSA-N 384.501 4.281 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 408763248 RVVLMNKIVMMDCK-VXLYETTFSA-N 381.657 4.265 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OC 408804368 DZPRIRJUZUKCNN-NTEUORMPSA-N 386.835 4.302 50 40 GIGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cc2cc([N+](=O)[O-])ccc2o1 408964071 FPYGWULYDFOTJO-FBCYGCLPSA-N 394.170 4.117 50 40 GIGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 409364169 NGLDSEBFFXHLSF-LPYMAVHISA-N 377.400 4.164 50 40 GIGB CC1=C(C#N)C(=O)N(C)[C@H](O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 4513654 SHIIOXVKOVTTNU-RUEYPURISA-N 389.238 4.267 50 40 GIGB Cn1c(SCC(=O)N/N=C/C(Cl)=C\c2ccccc2)nc2ccccc21 4951420 RPFKUMRZVVJOBW-BLXLCHOJSA-N 384.892 4.047 50 40 GIGB CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc(CC)c1 16162244 AEVKWOFURXBUGA-IWIPYMOSSA-N 376.456 4.330 50 40 GIGB N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)C(=O)Nc1cccc(C(=O)O)c1 408542711 KQVYXXLBPMGXNL-PTNGSMBKSA-N 376.343 4.330 50 40 GIGB O=C(N/N=C\c1ccccc1O)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2 408726302 BDIWZYXPWMDBIC-MSXFZWOLSA-N 391.858 4.330 50 40 GIGB C/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 5003513 YQQYCKGWRWVDIJ-YALBQKEFSA-N 399.450 4.441 50 40 GIGB CC1=NN(c2ccccc2)[C@@H]2OC(N)=C(C#N)[C@@H](c3ccc(C(F)(F)F)cc3)[C@H]12 5416553 NZXNSIKKFXMYFR-NLWGTHIKSA-N 398.388 4.351 50 40 GIGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)OCC)cc1OCC 212015925 GZDBINRAWYLRAB-JYRVWZFOSA-N 382.254 4.107 50 40 GIGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1O 408542401 JDOCUBXPTPWLPE-AUWJEWJLSA-N 388.217 4.316 50 40 GIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 408756061 TVDZPMMQRZDXEI-PTNGSMBKSA-N 381.229 4.007 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)o1 408995100 IZEMZJSVQQNBOS-RGVLZGJSSA-N 379.913 4.163 50 40 GIGB Cc1ccc(CN2C(=O)/C(=N\OC(=O)C(C)(C)CCl)c3ccccc32)cc1 3064110 BHJDQGDJELCEFX-NKFKGCMQSA-N 384.863 4.054 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 5431620 YYPYAISMJIMKDV-SRZZPIQSSA-N 381.259 4.311 50 40 GIGB CCOc1ccccc1[C@H]1C(C#N)=C(SCc2ccccc2)NC(=O)[C@@H]1C#N 9329563 XBFVNOPMQNMMRZ-YLJYHZDGSA-N 389.480 4.107 50 40 GIGB N#CC(C#N)=C/C=C(\Sc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 12366749 ZYDOGIBZWRNYED-WQRHYEAKSA-N 390.859 4.422 50 40 GIGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2F)cc1OC 33668560 OLHQCPXXNCSFFN-JHAVZTMOSA-N 378.831 4.429 50 40 GIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)o1 39127475 RGBJQFITEZMCCE-QBFSEMIESA-N 388.265 4.434 50 40 GIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3)c2C)cc1Cl 409063221 IWEFTLPSJONYSW-ZVHZXABRSA-N 395.890 4.449 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3C)c2C)c1 636808 NUIVBPDXAWOGNC-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)C(=O)N1CCCC1 872798 TZIFYROLNPNOPT-KNTRCKAVSA-N 385.467 4.250 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)cc1OC 2318899 JSZYMFVDQGCFQK-OEAKJJBVSA-N 377.444 4.105 50 40 GIGB C/C=C/C=C/C(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1 32903747 MEYNGXJXZUBGOG-DSXPNFDZSA-N 386.451 4.312 50 40 GIGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)c1 33406418 FGXFOFLJJJHOTF-MOSHPQCFSA-N 399.450 4.426 50 40 GIGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OC(C)C 33744472 FTISZNJMGLCHSG-ZVHZXABRSA-N 392.455 4.408 50 40 GIGB O=C(NCc1nc2ccccc2s1)NNc1ccc(OC(F)(F)F)cc1 42816776 CVHLHPPMWMXNQJ-UHFFFAOYSA-N 382.367 4.021 50 40 GIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1c[nH]c2ccccc12 408567348 CZWGSMOYRJRFCT-WSDLNYQXSA-N 397.525 4.176 50 40 GIGB COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1[N+](=O)[O-] 1011013 BWAPVTJMHRHJLI-WSDLNYQXSA-N 389.367 4.267 50 40 GIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cccc(Br)c1 1434563 VMJZGRDPXRRMSA-MDBUFAAASA-N 377.307 4.221 50 40 GIGB N#CC1=C2CCCC[C@@H]2[C@H](c2cccc(Br)c2)C(C#N)(C#N)C1=O 2297489 KGRIVQHVDXWUEI-RDJZCZTQSA-N 380.245 4.159 50 40 GIGB CCOC(=O)/C(C#N)=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 13285796 WXHHHHNEVRGICV-WJDWOHSUSA-N 375.384 4.068 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)cc3C)o2)cc1 20194343 XHUGAJMRQRMDTD-ZVHZXABRSA-N 390.439 4.043 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3C)c2C)cc1 28217457 CTFBRZWOPCTVGM-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2F)cc1OC 33668558 OLHQCPXXNCSFFN-VTGBELTLSA-N 378.831 4.429 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccc(OC)cc23)ccc1OC 44026954 FWYZSMAGHNUJQT-OQLLNIDSSA-N 376.412 4.374 50 40 GIGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc21 208202584 SMKDCFAMCKIXNI-CYGNYLSHSA-N 380.448 4.081 50 40 GIGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1OC 408753942 LFRZCWCNDIKRFZ-LCYFTJDESA-N 387.233 4.012 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N(CC)CC)cc3)cc2c1 409186312 AETPMNUKKKWPRN-HAHDFKILSA-N 379.460 4.442 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 4985323 GYUVWSGVGVLXED-YQWRRGARSA-N 399.487 4.149 50 40 GIGB O=C(N/N=C/c1ccc(O)cc1O)c1cc(-c2cccs2)nc2ccccc12 7982995 YVQCNBWARJEIMK-WSDLNYQXSA-N 389.436 4.138 50 40 GIGB COc1cc(OC)c(C(=O)NN(c2ccccc2)c2ccccc2)cc1OC 14862528 NBSAWMZVMLEFJY-UHFFFAOYSA-N 378.428 4.196 50 40 GIGB CC1=NN(c2ccccc2)[C@@H]2OC(N)=C(C#N)[C@H](c3ccc(C(F)(F)F)cc3)[C@H]12 16607929 NZXNSIKKFXMYFR-CMKODMSKSA-N 398.388 4.351 50 40 GIGB COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1 58900661 YFEYJXCMNBQRRS-BUVRLJJBSA-N 387.439 4.020 50 40 GIGB CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)ccc1O 59473175 RNARFVDYHXZSGM-DQAKUKQTSA-N 378.881 4.075 50 40 GIGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 209606049 SWPUSJLKIXZSSM-JJFYIABZSA-N 382.803 4.371 50 40 GIGB O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408531475 OEWOQEDACWWIQS-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(C)=O 408765868 RCUNZLZTKPYLOO-OQLLNIDSSA-N 384.819 4.210 50 40 GIGB Cc1cccc(-n2cccc2/C=N\NC(=O)COc2cccc3cccnc23)c1C 409024072 TYMRYOPCCNPMBN-YSMPRRRNSA-N 398.466 4.171 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OC 409245588 WEMOIEBJYDRZFP-PDGQHHTCSA-N 398.890 4.403 50 40 GIGB O=C(COc1cc(Cl)c(Cl)cc1Cl)NNc1ncnc2ccccc12 6935928 WWPJBPAJXZBWAQ-UHFFFAOYSA-N 397.649 4.112 50 40 GIGB COc1cc(OC)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 8106556 CUSZLIILMPSCKK-QPEQYQDCSA-N 389.205 4.439 50 40 GIGB N#Cc1ccccc1OCC(=O)N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12 8401726 JOGHHLHUUFUZOW-CVKSISIWSA-N 394.434 4.236 50 40 GIGB C=CCCOc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 59417059 ZXDICYTWXNGABR-BUVRLJJBSA-N 394.500 4.150 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCC#N 408804883 ZVGQMJDXEODLLM-XNTDXEJSSA-N 381.819 4.105 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1cccnc1 409249118 SGYQTMPWZQWHJR-JCMHNJIXSA-N 384.483 4.145 50 40 GIGB Cc1ccccc1C[C@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1 4505974 PNGZDHRKZQOAPL-XAOCGEIJSA-N 386.451 4.200 50 40 GIGB C/C(=N\NC(=O)COc1c(C)cccc1C)c1ccc(Br)s1 4694191 GBFJBPFAVCLIKF-LDADJPATSA-N 381.295 4.047 50 40 GIGB C[C@@H]1CC(C)(C)N2C(=O)C(=C(C#N)C#N)c3cc(OC(=O)c4ccccc4)cc1c32 4702860 RCVLYTYWGXRRGA-CQSZACIVSA-N 397.434 4.339 50 40 GIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/C=C/c2cccc([N+](=O)[O-])c2)cc1 4778829 PIDBTBDHPYCPLC-VHVZSBGQSA-N 381.432 4.303 50 40 GIGB Cc1oc(-c2ccccc2)nc1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 7989731 NTKBCZIUEFYFQO-UHFFFAOYSA-N 393.487 4.018 50 40 GIGB CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)cs1 40139868 AXTCTCILNGNTED-RIYZIHGNSA-N 378.457 4.096 50 40 GIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cc(OC)ccc2OC)cc1 408811023 QJXYGMXZQLPGEB-YAJBTMAUSA-N 394.471 4.104 50 40 GIGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(OCC)c1 409253466 BLUWUHHXGGYVGC-LFVJCYFKSA-N 382.504 4.474 50 40 GIGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1Br 1021165 LMPJKZOGNVOPEV-VSMYLPJWSA-N 381.657 4.020 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC[C@H]1CCCO1 2807786 DKYLBPHJHOJMLZ-MUPHDSPYSA-N 396.874 4.121 50 40 GIGB COC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 3266887 LSBZAMSZYIWYPL-AWQFTUOYSA-N 383.231 4.271 50 40 GIGB CCN(CC)c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(C)on3)c2C)cc1 7785215 FNRZFNXBUMIBOB-OEAKJJBVSA-N 393.491 4.001 50 40 GIGB Cc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1Br 20760282 CMVYBXKXWVJWFZ-GIJQJNRQSA-N 396.082 4.284 50 40 GIGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 36047387 ITDUWGNZUDAQFG-NTUHNPAUSA-N 394.368 4.396 50 40 GIGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)cc1 59333682 NFOSKUUBYLJJRP-WJDWOHSUSA-N 385.261 4.023 50 40 GIGB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(C)C)cc2)N2C(=N1)SC(C#N)=C2N 408603854 HMEXZTBVRPBFNX-SFHVURJKSA-N 396.516 4.146 50 40 GIGB Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 408692603 QNCDMRKWKLYONB-BRJLIKDPSA-N 398.869 4.449 50 40 GIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1O 662788 VSNCGCZXGHYDAK-GCYXGZDWSA-N 387.650 4.270 50 40 GIGB CC(C)(C)c1[nH]nc2c1[C@@H](c1cccc(OC3CCCC3)c1)C(C#N)=C(N)O2 4631773 XCGFGFQWPVVIPO-KRWDZBQOSA-N 378.476 4.247 50 40 GIGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\Nc1ccccc1C(=O)O 4822686 SIEBDIBMFOHFSZ-XKZIYDEJSA-N 394.302 4.423 50 40 GIGB O=C(C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 12375730 ZTWNHSFZVLDWNZ-ATJXCDBQSA-N 387.395 4.002 50 40 GIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1OCC 408799877 IXHYXWYNAFLDGP-SFQUDFHCSA-N 380.444 4.347 50 40 GIGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1 4953821 RYMOGBHLGPULNN-MDWZMJQESA-N 375.306 4.468 50 40 GIGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 15222562 RYEFZDQTBGWASA-LGMDPLHJSA-N 380.444 4.428 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 33718788 GYUVWSGVGVLXED-MNJZALJWSA-N 399.487 4.149 50 40 GIGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 51367124 LSEBXPVYZGSTHP-KSFYIVLOSA-N 386.451 4.294 50 40 GIGB CCN(CC)P(=O)(NP(=O)(N(CC)CC)N(CC)CC)N(CC)CC 98047011 PMLAXAJSAPQJBH-UHFFFAOYSA-N 397.485 4.159 50 40 GIGB CCCCCCCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 102993256 TVQMDBBGKRNSEW-UHFFFAOYSA-N 399.466 4.200 50 40 GIGB CC(=O)NCCC/C(NNc1ccccc1)=C(\C#N)c1nc2ccccc2s1 105788739 BOTYGDQIDWOLMO-ZCXUNETKSA-N 391.500 4.064 50 40 GIGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 408784461 CCDFMBRSZDPJGI-OEAKJJBVSA-N 390.464 4.441 50 40 GIGB CCOC(=O)c1c(NC(=O)N/N=C/c2cccs2)sc2c1CC[C@@H](C)C2 943713 RCJJRCZNNZIQLR-VURRPDKYSA-N 391.518 4.267 50 40 GIGB CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c21 8382639 KATJOPMLPPFSRV-SFHVURJKSA-N 390.418 4.221 50 40 GIGB CCOC(=O)NNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 12796505 SUOVVVUXJNKDON-UHFFFAOYSA-N 375.837 4.008 50 40 GIGB [O-][N+]([C@H]1[C@H]2C[C@H]([C@H]1Cl)[C@@H]1CC=C[C@H]21)=[N+]([O-])[C@H]1[C@@H](Cl)[C@@H]2C[C@@H]1[C@H]1C=CC[C@H]21 104236584 ULTDDMMLHKVFET-SDXUPYLYSA-N 395.330 4.095 50 40 GIGB C/C(CC(=O)Nc1ccccc1)=N\NC(=O)CSCc1ccccc1Cl 408719563 WLRISEVDYCIXPV-HYARGMPZSA-N 389.908 4.094 50 40 GIGB N#Cc1ccc(CSCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 408721604 JUXBKUFUZUIFAC-ZVBGSRNCSA-N 378.284 4.249 50 40 GIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC)cc2OCC)c1 408745052 JIXFKTVFXDZFCM-ATVHPVEESA-N 380.444 4.428 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccncc1 409228210 VYFBOCSJCVVFIY-JWGURIENSA-N 384.483 4.145 50 40 GIGB CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1Cl 409316493 YGBBFSGEJHSWLB-XKZIYDEJSA-N 390.867 4.300 50 40 GIGB O=C(N/N=C/c1cn(-c2cccs2)nc1-c1ccccc1)c1ccc(O)cc1 3236935 NEORTTBGHKNHMJ-LPYMAVHISA-N 388.452 4.070 50 40 GIGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1cccc(C)c1 4697854 FSQDUFPCVCXUAY-ZMOGYAJESA-N 377.366 4.148 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CCc3ccccc3)o2)cc1 58871506 XSHHUSFURLWMML-LFVJCYFKSA-N 390.439 4.206 50 40 GIGB CN1/C(=C(\C#N)C(=O)CSc2ccc3c(c2)OCCO3)Sc2ccccc21 102408509 HFTLPOIAJLWVRL-ZHZULCJRSA-N 396.493 4.096 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C)cc1 408591914 WJSRXDWJBBFVKM-OEAKJJBVSA-N 390.443 4.004 50 40 GIGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 409363128 JSUABYJIOHBBOO-HYARGMPZSA-N 377.400 4.110 50 40 GIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(F)F)cc2)c(C(C)C)c1 3219899 UVKWWRDULLVUFQ-FOKLQQMPSA-N 376.403 4.249 50 40 GIGB O=C(NNC(=O)c1cccs1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 6508635 XTKYAAYWWUJQMP-UHFFFAOYSA-N 380.347 4.102 50 40 GIGB CN1C(=C(C#N)C(=O)CSc2ccc3ccccc3n2)N(C)c2ccccc21 7123027 WQVUXIKURAMDJX-UHFFFAOYSA-N 386.480 4.217 50 40 GIGB N#CC1=C2SCN(CCc3ccccc3)CN2C(=O)C[C@@H]1c1ccc(F)cc1 20348064 UIBHHTWZCPBRQK-LJQANCHMSA-N 393.487 4.083 50 40 GIGB CN(C)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1S(=O)(=O)c1ccccc1 195754088 UNGGPAGSTQGZOJ-WBVHZDCISA-N 381.614 4.069 50 40 GIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)c1 408755114 MMPYWCCWBPPFGB-MDWZMJQESA-N 387.233 4.099 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(O)c1 2285167 UZNLISZGOBJKJN-FSJBWODESA-N 379.382 4.021 50 40 GIGB CC(=O)c1ccc(N2C(C)=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C2N)cc1 2287116 SWUKMWPPBFZSCB-UHFFFAOYSA-N 389.299 4.418 50 40 GIGB CCCCCOc1ccccc1/C=N\NC(=O)c1cc(-c2ccccc2)n[nH]1 4677738 HHGQCYZIGZPJQU-KQWNVCNZSA-N 376.460 4.410 50 40 GIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 5531411 NDDJSYULDWAXBA-ZGXHQARYSA-N 377.853 4.269 50 40 GIGB O=C(Cn1nnc(-c2ccccc2)n1)NN=C1CCCCCCCCCCC1 5933323 PRUWWNKZNQWZMR-UHFFFAOYSA-N 382.512 4.117 50 40 GIGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 6376686 FNWIQBYADLTTMG-OEAKJJBVSA-N 391.427 4.228 50 40 GIGB CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=N/NC(N)=O)cc1OC 6449904 NSWUNXWEDNGLOG-WTJYETQFSA-N 399.491 4.059 50 40 GIGB FC(F)(F)Oc1cccc2c1[C@H]1O[C@@H]2[C@H](Br)[C@@H]1Br 95486417 HSIDXHJLTRZTTC-XFWSIPNHSA-N 387.977 4.238 50 40 GIGB CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cs1 97152369 TXUWQVORVKTLNX-WUXMJOGZSA-N 398.875 4.440 50 40 GIGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 408727255 QTFYKFSVNRARPQ-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1 408990571 XLFBZXRREPNIQJ-SPQRHKFCSA-N 392.846 4.076 50 40 GIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3)c2C)cc1 409185100 SFSAFSJKRPNIEY-BUVRLJJBSA-N 391.471 4.265 50 40 GIGB COc1ccc(C(=O)Nc2ccc(OC(F)(F)[C@@H](F)Cl)cc2)cc1OC 3235315 RZRXDWLDAARAHV-MRXNPFEDSA-N 389.757 4.462 50 40 GIGB Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 13586151 HJUOFZUBMPZTMZ-SSDVNMTOSA-N 382.803 4.371 50 40 GIGB CCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1ccc(Br)cc1 35494293 BNGLAYWPCLYOBU-JAIQZWGSSA-N 395.684 4.194 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC#N 408798993 XPZUQZUMIDZRIA-MHWRWJLKSA-N 395.846 4.495 50 40 GIGB CC(C)Oc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(O)c1 409393558 YMMYWKOOXPZUST-PCLIKHOPSA-N 388.467 4.462 50 40 GIGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 803798 GNJHBDWMPVWHFO-SFHVURJKSA-N 392.459 4.368 50 40 GIGB C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(Cl)c1 1021030 WCMNGOUIDKDTQG-VURRPDKYSA-N 381.657 4.020 50 40 GIGB C=CCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 1795079 FSIBKHNARUCHTE-GZTJUZNOSA-N 382.847 4.137 50 40 GIGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc([N+](=O)[O-])c1O 5558389 OAOVFWOSVDTDHE-SDQBBNPISA-N 375.178 4.136 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1cccc(O)c1 6025511 ZHLLBEASFANPTR-HNNXBMFYSA-N 399.237 4.307 50 40 GIGB COc1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1OC 15434668 SERRFLTVIWSHOZ-UHFFFAOYSA-N 375.639 4.421 50 40 GIGB CC(=O)N/N=C1/CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 32116337 JTSYJYALWDMECW-TZKODSLISA-N 388.552 4.453 50 40 GIGB biogenic CCOc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1OCC 409131493 IPGKNYRFSMVEFA-PXLXIMEGSA-N 386.517 4.425 50 40 GIGB Cc1nn(C)cc1/C=N/NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 1005585 XATNJMFESTVZDB-DHRITJCHSA-N 399.498 4.112 50 40 GIGB O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1cccc(Cl)c1 1054389 ITRWCCGLNLDXGC-ZVHZXABRSA-N 394.858 4.448 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2F)sc2c1CCCC2 1208080 WKOPKNYOGFYOSU-SDNWHVSQSA-N 398.459 4.488 50 40 GIGB CN(C)c1ccc([C@@H](O)P(=O)(c2ccccc2)c2ccccc2)c(Cl)c1 2163358 KGINWOSCXMJDBQ-NRFANRHFSA-N 385.831 4.411 50 40 GIGB COc1ccc(-n2cccc2/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 6953595 WRFYYTULXILFSG-LPYMAVHISA-N 399.903 4.382 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCc1ccc(F)cc1 8106457 FKQKTSVUGHJHTM-DHRITJCHSA-N 396.393 4.316 50 40 GIGB CCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 17268960 IHOFQJFOROHGCL-UHFFFAOYSA-N 384.819 4.074 50 40 GIGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc2c1CCCC2 21284511 IPWFEJHQSKOONM-UHFFFAOYSA-N 385.367 4.311 50 40 GIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 408811692 WBJWSVXZDYTDJV-GHRIWEEISA-N 378.428 4.204 50 40 GIGB CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1Cl 409301070 CUSOUZDJXQNZOP-FBHDLOMBSA-N 397.258 4.173 50 40 GIGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cn(C)nc3C)c3ccccc3n2)c(C)c1 2767548 WWWGVSMTMQTKGC-DHRITJCHSA-N 397.482 4.324 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1Br 3279736 NNMIQCDWGOIIQS-UKTHLTGXSA-N 387.233 4.012 50 40 GIGB COc1ccc(/C(C)=N\NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 5725163 BUOHWNKPBABTLW-JLPGSUDCSA-N 399.922 4.101 50 40 GIGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 33246472 LJSHGVLFCKYUNF-XDHOZWIPSA-N 377.853 4.022 50 40 GIGB CCOP(=O)(OCC)C1=C(N)SC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 35185289 ZEZVYFNZAYRGFO-ZDUSSCGKSA-N 399.840 4.258 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 98008703 ICLBDCKWPVYILL-LICLKQGHSA-N 380.400 4.314 50 40 GIGB COC(=O)c1cccc2[nH]cc(/C=C(\C#N)C(=O)Nc3cccc4ncccc34)c12 101690473 GIZZBLXMMBODCH-SDNWHVSQSA-N 396.406 4.048 50 40 GIGB CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c1 408870691 WKDRKWMFTZNPLI-OVCLIPMQSA-N 384.819 4.071 50 40 GIGB COc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1C 408904305 HROBMIJPMXBIBM-GRSHGNNSSA-N 376.254 4.230 50 40 GIGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1ccccc1C 409109143 YKAJNBMTPFRFKO-PDGQHHTCSA-N 391.471 4.158 50 40 GIGB Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1 409129484 GHUVPHOZTNMFQO-AWEZNQCLSA-N 397.525 4.076 50 40 GIGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1 409189300 PAGAUYFSKWXDKW-SSDVNMTOSA-N 382.803 4.371 50 40 GIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1 5512203 XROGWFSIHXIGKK-BUVRLJJBSA-N 390.439 4.047 50 40 GIGB CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c2ccccc21 13424481 YVYMZWOMADPBQD-ATVHPVEESA-N 387.439 4.059 50 40 GIGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccccc1C(F)(F)F 409018859 ZOCGIYCETXJFPY-GZIVZEMBSA-N 380.757 4.079 50 40 GIGB O=C(NNC1CCCCC1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 825225 IKSQGLYOZLBNJL-UHFFFAOYSA-N 393.314 4.183 50 40 GIGB Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(COc3ccc(Cl)cc3)c21 1073674 GOPYAWMQHUSYIO-GOSISDBHSA-N 392.846 4.169 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(Br)c1 1097854 FKCBRQNDKDCQPC-HNNXBMFYSA-N 393.244 4.057 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 4723666 SRNDVCCEQXJMTA-FOWTUZBSSA-N 388.379 4.199 50 40 GIGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 10315707 XGYQKVQGZNCWCS-PCLIKHOPSA-N 389.499 4.494 50 40 GIGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 33722847 WQFRVCGUSOOSTO-WJDWOHSUSA-N 395.415 4.328 50 40 GIGB Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1ccc(F)cc1 58928180 FZVPSFDZFVIXHW-YDZHTSKRSA-N 381.476 4.476 50 40 GIGB O=C(N/N=C\c1cc(Br)ccc1O)C12CC3C[C@@H](CC[C@H](C3)C1)C2 100810013 ZLXXQMUQVYKIBV-IIWDIJFTSA-N 391.309 4.211 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(I)cc2)cc1 408788135 INIMGCJNOUXBJA-GXDHUFHOSA-N 388.208 4.145 50 40 GIGB CCOc1ccc2ccc(OCC)c(/C=N/NC(=O)Cc3cccs3)c2c1 409193880 GULYTTOGMNMEPU-HYARGMPZSA-N 382.485 4.392 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1OCc1ccccc1F 1106940 CXCOZBFMDPWKRF-JOCHJYFZSA-N 388.398 4.328 50 40 GIGB N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1 4752144 BPYHZNHKYXPCEA-NDENLUEZSA-N 384.351 4.098 50 40 GIGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc2c(c1)OCCO2 5788791 COWOJVXYMCWFLJ-SRZZPIQSSA-N 386.860 4.480 50 40 GIGB C#CCOc1c(CC=C)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC 6959259 OJESQBIQCVKYJE-BUVRLJJBSA-N 396.874 4.243 50 40 GIGB CCCCCOc1ccc(/C(C)=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 408737096 IKNFEIRRMJPMSU-JWGURIENSA-N 383.448 4.247 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(C)cc3)c2)c(O)c1 409392008 MTOGZLBCLAGKSB-ZVHZXABRSA-N 390.439 4.052 50 40 GIGB O=C(NC1c2ccccc2Oc2ccccc21)OCCI 1669936 WVYURZBQNLGGSK-UHFFFAOYSA-N 395.196 4.043 50 40 GIGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)c1 13140652 VRSUQDYSIQLWIV-KOEQRZSOSA-N 386.499 4.458 50 40 GIGB CCOC(=O)/C(C#N)=C(O)\C(=C/c1ccccc1Cl)NC(=O)c1ccccc1 104286738 CACCUOTYGLYOLP-WBLKYFKXSA-N 396.830 4.010 50 40 GIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(Br)c1 409107210 QBKXDLIWPSMFKA-VXLYETTFSA-N 381.657 4.265 50 40 GIGB COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3Cl)cc2)cc1 1507577 LDRKFMDDPPUHPY-UHFFFAOYSA-N 380.831 4.090 50 40 GIGB COC(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 2240775 XKBBQYJBJOXQPJ-AWQFTUOYSA-N 383.231 4.271 50 40 GIGB O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)cs1 3148617 MOQSFIIDULQWAG-AWQFTUOYSA-N 388.290 4.226 50 40 GIGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 5528678 WZWSUDBWPWAWNI-OHBSIKEHSA-N 395.242 4.030 50 40 GIGB Cc1cccc2cc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)c(Cl)nc12 13042133 JOZBVNPCAJSDQI-XNTDXEJSSA-N 391.814 4.441 50 40 GIGB O=C(N/N=C\c1ccc(Cl)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1 33301409 LFOOZKLTEDTNSU-OYKKKHCWSA-N 399.277 4.380 50 40 GIGB C/C(CC(=O)Nc1ccccc1)=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1 408731905 QQIHIUBRUYOHNR-KOUDTOEKSA-N 389.908 4.342 50 40 GIGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1 409143389 NCEJBNXCKORCLF-AWEZNQCLSA-N 397.525 4.021 50 40 GIGB Cc1ccc(NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 2784071 XEXONFCDJIPKMM-UHFFFAOYSA-N 389.524 4.453 50 40 GIGB CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc(C)c1C 13942123 WGISFSQASRJTNB-OYKKKHCWSA-N 376.456 4.384 50 40 GIGB C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)o1 25582792 FIFUQGBWLDSGDC-GAFVJCAHSA-N 396.244 4.466 50 40 GIGB Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(C)cc32)c(Br)c1 44167418 MOSQGJNIKWRHTK-UHFFFAOYSA-N 389.274 4.356 50 40 GIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1Br 58915920 LUASNIPERNRNLM-MDBUFAAASA-N 377.307 4.221 50 40 GIGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 100522982 NQMQOBOELOLTFR-PCLIKHOPSA-N 394.519 4.185 50 40 GIGB NNC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226326884 CCBBFQVIKMHULQ-UHFFFAOYSA-N 380.058 4.483 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)cc2)c([N+](=O)[O-])c1 408894361 HRMPTHHMGATGFW-GZTJUZNOSA-N 379.416 4.484 50 40 GIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2)c1C 408997077 QTCFQZGSYGPDJZ-OYKKKHCWSA-N 395.890 4.449 50 40 GIGB COc1cc(Cl)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409228497 ZFBIKGNJKPQYKV-BOPFTXTBSA-N 384.863 4.013 50 40 GIGB C[C@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc(N(C)C)cc1)c1ccccc1 409235759 QJJOPTRRPJVOBU-OBKVJGTNSA-N 384.483 4.328 50 40 GIGB Cc1ccc(COc2ccccc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 860572 WQYSOCFQVJJKMV-JOCHJYFZSA-N 386.451 4.389 50 40 GIGB Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)[C@H]3c1ccccc1Cl 2408620 BCTGNAOVRTWBHY-IBGZPJMESA-N 378.815 4.281 50 40 GIGB aggregator O=C(C(=O)[C@@H](Br)c1ccccc1)[C@@H](Br)c1ccccc1 4265684 WZJCXRWEUWNMAM-KBPBESRZSA-N 396.078 4.397 50 40 GIGB biogenic C[C@H](Cl)CN1COc2c3c(c4ccccc4c2C1)CN(C[C@@H](C)Cl)CO3 4896182 OMLATFOZEQOHQU-OKILXGFUSA-N 395.330 4.398 50 40 GIGB C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc2ccccc12 5126088 MBZSSYTWQPMTDK-OEAKJJBVSA-N 399.410 4.292 50 40 GIGB Cc1cc(OCCCOc2ccc(Cl)cc2/C=N/NC(N)=O)ccc1Cl 15225778 WFRBJJIEEFCZCV-SSDVNMTOSA-N 396.274 4.152 50 40 GIGB N#CC1=C(/N=C(\S)NC(=O)c2ccc(F)c(F)c2)S[C@@H]2CCCCC[C@H]12 36612576 GPZRBEVZRYKEDC-IAQYHMDHSA-N 393.484 4.411 50 40 GIGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OC 211404754 UDEZAYUWTISLHQ-LCYFTJDESA-N 376.334 4.268 50 40 GIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 252503554 VFDXBLNRQOLVBL-YFHOEESVSA-N 391.177 4.087 50 40 GIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Cl 408787846 GYBQQRWVAWBVRY-CXUHLZMHSA-N 398.846 4.054 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1OCc1ccccc1C#N 409127370 CZQRNDRMGLWCLA-HSZRJFAPSA-N 395.418 4.061 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc2c(c1)OCO2 409181656 FRSNXPJEKARWMX-ZVHZXABRSA-N 390.439 4.050 50 40 GIGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(Cl)c([N+](=O)[O-])c1 409185152 JXNOQXGFEOATCO-SSDVNMTOSA-N 379.803 4.264 50 40 GIGB N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 720234 AQWHYJLLUZFKNL-IBGZPJMESA-N 395.384 4.409 50 40 GIGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc2ccccc2n1 1021492 FZVOQQROHGNISF-CIAFOILYSA-N 398.260 4.160 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 8082321 FFLPSLIIOTXIFG-FYJGNVAPSA-N 379.372 4.017 50 40 GIGB N#C/C(=C/c1c[nH]c2ccc(Br)cc12)C(=O)NCc1ccccc1 15230304 RDVZHBXCQFUAPU-ZSOIEALJSA-N 380.245 4.154 50 40 GIGB C/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccccc1O 101158246 ZTXOENHTMNWVAG-CVKSISIWSA-N 382.423 4.156 50 40 GIGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408969647 RLFHKOCDWQIUND-SSDVNMTOSA-N 392.286 4.380 50 40 GIGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)[C@H](O)c1ccccc1 805085 FDNOYMHGXWHHHF-NMONLQQWSA-N 389.238 4.437 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC[C@H]1CCCO1 4591252 YOKQXONNOCYMKW-VOMPUTFMSA-N 396.874 4.121 50 40 GIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1F 5644948 QSHPSAZDBKYGDI-OAHLLOKOSA-N 391.240 4.039 50 40 GIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C\c1cc(Cl)ccc1O 66330637 VSNCGCZXGHYDAK-OSALFXOTSA-N 387.650 4.270 50 40 GIGB CC[C@H](C)Oc1ccccc1/C=N/NC(=O)c1ccc(Br)cc1 408602989 PLVKVFLMJQNLKA-DZUMZMOTSA-N 375.266 4.390 50 40 GIGB COc1ccc(CCCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 408906122 HJJXMKQFEXYECN-CIAFOILYSA-N 389.839 4.038 50 40 GIGB N#C/C(=C\c1cn(CCOc2ccccc2F)c2ccccc12)C(=O)NC1CC1 872840 JCCARJIGNWVISB-DTQAZKPQSA-N 389.430 4.045 50 40 GIGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccccc1 1103506 GLDNXLPHZFQTFU-HZHRSRAPSA-N 394.496 4.419 50 40 GIGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)cc1C(=O)O 4680349 CQCDBMRIYDCZDU-LFIBNONCSA-N 378.428 4.309 50 40 GIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)c1 28217399 LDUAYWSJCLOZOM-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4ccccc4o3)c2)C1 45887415 ZEULNJIFWPPPJE-JTQLQIEISA-N 375.211 4.267 50 40 GIGB CO[C@H](C(=O)N/N=C/c1cc2cc(Cl)ccc2nc1Cl)c1ccccc1 408729456 ZYABIXMVTMDQSB-CBVHTYNASA-N 388.254 4.379 50 40 GIGB Clc1cc(Cl)c(OCCOCCI)c(Cl)c1 1597127 AIETUHCFBVHNFH-UHFFFAOYSA-N 395.451 4.477 50 40 GIGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3cccc(Br)c3)o2)cn1 4464492 UXQOLEXCSIDTIM-NHDPSOOVSA-N 384.233 4.176 50 40 GIGB CC1(C)CC(=O)C/C(=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)C1 100011213 HQWPAVMNEBPNOK-BKUYFWCQSA-N 385.291 4.404 50 40 GIGB Cc1cc2c(cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)CC(C)(C)N2C 208213918 OHNGWORCICIRBB-LJGKHRNASA-N 394.475 4.389 50 40 GIGB Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 408782341 HSJNNEMIOLAQNG-BKUYFWCQSA-N 377.404 4.158 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccccc1 408785358 YVTVCBMTDVJBTG-BKUYFWCQSA-N 390.483 4.434 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OC(C)C)cc1 408807099 KGLUQMVJNWDCAY-SFQUDFHCSA-N 380.444 4.427 50 40 GIGB Cc1cccc(COc2ccc([C@@H]3C(C#N)=C(N)N(C)C4=C3C(=O)CCC4)cc2)c1 409127405 HJBDOZACULKJSI-HSZRJFAPSA-N 399.494 4.304 50 40 GIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccc(C(=O)OCCC)cc2)C1 12137196 HJLIEVXATPTPMX-FKNXBIFSSA-N 384.476 4.037 50 40 GIGB N#C/C(=C/c1ccc(OCC(=O)O)cc1)C(=O)Nc1cccc(Cl)c1Cl 59336153 JMJYZFNXHSROGZ-WQLSENKSSA-N 391.210 4.002 50 40 GIGB CC(C)c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 59503532 RUWQSRAOGKSXFV-CVKSISIWSA-N 397.478 4.428 50 40 GIGB Cc1cc(C)c(C(=O)OC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1C 102625194 KHJWUTFDVWLNEL-IUODEOHRSA-N 395.381 4.113 50 40 GIGB O=C(N/N=C\c1ccc(F)cc1)c1ccc2c(c1)CN(c1ccc(F)cc1)C2 408728560 OQITZEDGFDGTFG-ROTLSHHCSA-N 377.394 4.249 50 40 GIGB O=C(N/N=C/c1cccn1-c1ccc(F)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408965685 LMMURKKMNOQHFN-WSDLNYQXSA-N 392.346 4.035 50 40 GIGB Cn1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 2305467 CMLURXONVSOHLW-UFFVCSGVSA-N 396.244 4.451 50 40 GIGB COc1ccc(OC)c(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c1 2759489 CZYFQFVNQLTMHE-AEZZAFEZSA-N 380.488 4.255 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccccc1F 6626406 FEXQKDQZWDZENZ-ATVHPVEESA-N 375.403 4.485 50 40 GIGB CCOC(=O)C/C(=N/N(C(C)=O)c1nc2ccccc2s1)c1ccccc1C 10339225 JMAUTTPOPQUHCZ-NKFKGCMQSA-N 395.484 4.315 50 40 GIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 17079466 PYAZMWODZSOXTM-RCCKNPSSSA-N 389.432 4.244 50 40 GIGB Cc1ccsc1/C=N/NC(=O)CSCc1ccccc1Br 58915668 YEYLLXGSPQCGNR-CAOOACKPSA-N 383.336 4.203 50 40 GIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2N)c1C 408591590 UZVJPFKSJGIEID-WYMPLXKRSA-N 396.878 4.102 50 40 GIGB O=C(N/N=C/c1c[nH]c2ccccc12)C(Oc1ccccc1)Oc1ccccc1 2771673 RDHOLIIKFZELOK-PCLIKHOPSA-N 385.423 4.102 50 40 GIGB O=C(N/N=C/c1cccc(OCCOc2ccccc2)c1)Nc1ccccc1 4196539 CXEUSOIFJBWTPN-HAVVHWLPSA-N 375.428 4.300 50 40 GIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(O)c2c3c(sc2n1)CCCC3 4865049 SQEZPBPVWVXYNP-XYOKQWHBSA-N 378.413 4.248 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1sc2c(c1C#N)CCCC2 16268262 GQMBHVXVHBJHTI-YVLHZVERSA-N 392.528 4.338 50 40 GIGB COC(=O)c1sccc1NC(=O)/C(C#N)=C/c1c[nH]c2cccc(Cl)c12 49547571 SDJDVBHIMIADFV-JXMROGBWSA-N 385.832 4.215 50 40 GIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 59427000 DOWGIFULQCHGMR-ZVHZXABRSA-N 375.472 4.483 50 40 GIGB N#C/C(=C/c1cc(Br)cs1)c1nc2cc(Cl)ccc2c(=O)[nH]1 98006609 BKCKGWOAJMPJFL-BAQGIRSFSA-N 392.665 4.465 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(F)cc1 208309510 QTXFKZZDTWXOLB-PDGQHHTCSA-N 394.446 4.379 50 40 GIGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O)c1ccccc1 409223094 GJCPRWWHMFOUNK-QRVIBDJDSA-N 394.814 4.029 50 40 GIGB CCOC(=O)N/N=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2292679 MWQFBPGSBRAPIB-LPYMAVHISA-N 385.851 4.454 50 40 GIGB CC1(C)[C@]2(C(=O)Nc3ccccc3Cl)CC[C@@]1(C)C(=O)[C@H]2Br 2703435 QFNRBQIMRXBWHH-OAUYIBNBSA-N 384.701 4.437 50 40 GIGB Cc1ccc2c(CC(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)coc2c1 5578952 OJXYCXIOGLLONG-UHFFFAOYSA-N 380.488 4.038 50 40 GIGB C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)C(C#N)=C1Nc2ccccc2N1 7227699 YRKITWCLNGMBAB-GFCCVEGCSA-N 389.440 4.059 50 40 GIGB Cc1cccc(C(=O)Nc2nnc(/C(C#N)=C\c3ccc(N(C)C)cc3)s2)c1 13775361 DTXDFPIFTSFBOC-ATVHPVEESA-N 389.484 4.229 50 40 GIGB Cc1ccc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1 20237956 PGQYFULEBYRDLT-IBGZPJMESA-N 375.497 4.210 50 40 GIGB O=C(CSCc1ccccc1F)NNC(=S)Nc1cccc2ccccc12 20534011 RLPWHDWCXSPFLZ-UHFFFAOYSA-N 399.516 4.230 50 40 GIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3)c2C)c1 28216249 QKYHCVRYXGRFEW-ZVHZXABRSA-N 375.472 4.240 50 40 GIGB C/C(=N\NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc(O)cc1 58634520 HNKITXUJKZCMNA-LPYMAVHISA-N 390.468 4.255 50 40 GIGB C=CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1CC=C 408820604 XFFVVSZUONVZPU-QNGOZBTKSA-N 388.467 4.212 50 40 GIGB Cc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2C1 4922696 UXALFLNQPPWJJG-KRWDZBQOSA-N 379.460 4.354 50 40 GIGB CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1 30817688 WVIBOTUVDBAJAZ-GRSHGNNSSA-N 381.657 4.265 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc(F)cc1 59334856 LOUGPGDXKUWIKL-UNOMPAQXSA-N 394.446 4.137 50 40 GIGB C=CCc1cc(/C=N\NC(=O)Nc2ccc(OCC)cc2)cc(OCC)c1O 408814024 PMBHRFBBHLNXCJ-HMAPJEAMSA-N 383.448 4.074 50 40 GIGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 408882121 QAEISKXQXAGECD-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(OCC)c1 408962088 GKEHLQVHFAPODE-FSJBWODESA-N 380.366 4.267 50 40 GIGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c2ccccc21 876462 YVYMZWOMADPBQD-SFQUDFHCSA-N 387.439 4.059 50 40 GIGB CC(C)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 1027613 YMXKBLOQKBHOLQ-RGVLZGJSSA-N 375.266 4.134 50 40 GIGB N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccc(Cl)cc1 3233642 WGRHNMWZJNBIGD-NTUHNPAUSA-N 376.199 4.125 50 40 GIGB COc1ccccc1NC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1ccccc1 4385801 PJMYSLVINPKMOQ-HXUWFJFHSA-N 391.496 4.393 50 40 GIGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 4839075 KAXVTCNCGBLNGD-LJQANCHMSA-N 388.423 4.190 50 40 GIGB CC(C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 408566078 DGEJBQWXBALMMM-XKZIYDEJSA-N 377.400 4.299 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC#N 408795413 MGWVEFSPVLMLPY-MHWRWJLKSA-N 395.846 4.495 50 40 GIGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(O)cc2)c1C 408961664 UKINBOSDQVUMDK-ZVHZXABRSA-N 375.472 4.434 50 40 GIGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)[C@@H](O)c1ccccc1 2347446 ZAVWMQCFNZRBDT-QPHXDFOYSA-N 389.238 4.437 50 40 GIGB Cc1oc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1Br 4502743 BYOXMQNVFAQRGF-KBSHCFNASA-N 381.295 4.123 50 40 GIGB CNC(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 5668837 FAKPIUZRUBETKT-TWGQIWQCSA-N 397.681 4.500 50 40 GIGB C[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1c[nH]c2ccccc12 5919264 GKINJNHCHHVRAU-OVMKCGGTSA-N 380.498 4.409 50 40 GIGB CC(C)(C)c1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 6323415 FYCRPZXCOFXCCS-ANDSAHIGSA-N 397.906 4.141 50 40 GIGB CN1C(=O)C(C#N)=C(c2ccccc2)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O 18054449 IVPXJNFGFQKJSC-UYRXBGFRSA-N 398.393 4.445 50 40 GIGB N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)NCCc1c[nH]c2ccccc12 59104411 HGLIEBQDINDUJF-HKWRFOASSA-N 384.483 4.034 50 40 GIGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 408807442 CMFJOVYOWWZEBD-GHRIWEEISA-N 380.444 4.428 50 40 GIGB N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)c1nc2ccccc2[nH]1 409073985 OUCTYKSCAIOTCS-VZUCSPMQSA-N 388.210 4.397 50 40 GIGB COc1ccc([C@H]2CC(=O)NC(SCCOc3ccc(C)cc3)=C2C#N)cc1 409325386 YGJOPAQRQUEEFL-LJQANCHMSA-N 394.496 4.155 50 40 GIGB O=C(c1cccc(F)c1C(F)(F)F)[C@@H](Br)CBr 575361142 RNPVTCKSBKRVJK-LURJTMIESA-N 377.957 4.186 50 40 GIGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2C)c2ccccc12 672447 RTDSYHYDYCIKDH-FSJBWODESA-N 382.847 4.339 50 40 GIGB COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc(C)cc2)cc1 2494625 CRQRNXOUAVXWRS-HTAPYJJXSA-N 386.451 4.212 50 40 GIGB N#C/C(=C\c1cc(Br)cc(Br)c1O)c1ccccn1 5692612 OIXGILGQLXNJQZ-BJMVGYQFSA-N 380.039 4.376 50 40 GIGB Cc1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c(C)c1 6843927 OLVQVJOPDCITGE-MFKUBSTISA-N 388.467 4.412 50 40 GIGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(C#N)cc1 17150229 OYCTUVYELSMBSV-QFEZKATASA-N 382.423 4.476 50 40 GIGB O=C(Cc1ccc(Cl)cc1)N/N=C/C(Br)=C/c1ccccc1 57476921 FSTVOCKRTQFLBC-AZFHKVEGSA-N 377.669 4.421 50 40 GIGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 59515535 KOXXPVRCBXPLTB-DNTJNYDQSA-N 384.650 4.044 50 40 GIGB O=C(CSc1nc2ccccc2s1)N/N=C\c1cccn1-c1ccccc1 408813166 OMOFVSIJDZVENG-BKUYFWCQSA-N 392.509 4.329 50 40 GIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(OC)cc2)c1 408850033 DCXHHWWZIHHHLP-VKAVYKQESA-N 387.439 4.430 50 40 GIGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Cl)C(N)=O 408865723 DUHRPHPDNKCRAL-RIYZIHGNSA-N 375.653 4.086 50 40 GIGB Cc1cc(NC(=O)N/N=C\c2cn(C)c3ccccc23)ccc1Br 408904301 HQHXNVIEWDWVIW-JMIUGGIZSA-N 385.265 4.405 50 40 GIGB Cc1ccc(-n2cccc2/C=N\NC(=O)COc2cccc3cccnc23)cc1C 409021365 DKDOCFUQOMPQGP-YSMPRRRNSA-N 398.466 4.171 50 40 GIGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OC(C)C 409236844 HLNKUDLBRGOVAP-FMCGGJTJSA-N 392.858 4.358 50 40 GIGB CCOc1cccc(-c2cc(C(=O)N/N=C/c3cccnc3)c3ccccc3n2)c1 2759776 DTBZBNYGRFJXOV-WGOQTCKBSA-N 396.450 4.459 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(C#N)cc1 6044013 VPPDVSPJQASHCP-UNOMPAQXSA-N 382.423 4.217 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1 36174450 CYIZELFLYVZJGY-YDZHTSKRSA-N 380.375 4.026 50 40 GIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccccc2Cl)o1 43776203 RHJNOQKQGQFOQG-WSDLNYQXSA-N 382.803 4.151 50 40 GIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(Cl)c2Cl)cc1 223174159 TXHYQXZFXAYYNA-LCYFTJDESA-N 375.211 4.326 50 40 GIGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)c1nc2ccccc2o1 409049536 WFDYLGGWQCQALP-KPKJPENVSA-N 399.200 4.118 50 40 GIGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cn(C)nc3C)c3ccccc3n2)cc1C 2766982 WGRPFRQNNGHBOZ-DHRITJCHSA-N 397.482 4.324 50 40 GIGB CCCOc1ccc(-c2n[nH]c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 5924053 YNNYIJTZHJLHMD-INIZCTEOSA-N 392.484 4.454 50 40 GIGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1cccc(C(=O)O)c1 101443491 JVQFBHKFOHUOAG-JXAWBTAJSA-N 385.423 4.284 50 40 GIGB O=C(c1ccc(Cl)cc1)[C@@H](Br)[C@@H](C[N+](=O)[O-])c1ccccc1 1687169 KEDVRSOJQOCNAM-GJZGRUSLSA-N 382.641 4.347 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 4985314 GYUVWSGVGVLXED-KKGGDUKBSA-N 399.487 4.149 50 40 GIGB C/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)c2ccccc2F)cc1 17077531 SMEBYVYAEKKLKJ-CFRMEGHHSA-N 379.391 4.133 50 40 GIGB COc1ccc(Cl)cc1NC(=O)NNC(=O)c1cc2c(s1)C[C@@H](C)CC2 17080494 NLFIFOGJUWLXNJ-JTQLQIEISA-N 393.896 4.001 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)c(OCC)c1 20760272 WUTKCPRTCYVAAA-UDWIEESQSA-N 391.265 4.010 50 40 GIGB N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)C(=O)Nc1ccccc1 408743675 UGBMWLVGHLTGJB-WDZFZDKYSA-N 377.625 4.354 50 40 GIGB O=C(N/N=C/c1ccccc1Br)c1cc(Cl)cc(Cl)c1O 4705051 ZFIGFYMDCNEFEI-CNHKJKLMSA-N 388.048 4.225 50 40 GIGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2cccc3ccccc23)cc1 408850695 CPEOZDVLXCFWOH-KOEQRZSOSA-N 382.467 4.460 50 40 GIGB CCOc1cc(Cl)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409247787 NVNHFTSEOQWOHC-PDGQHHTCSA-N 398.890 4.403 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)c(Br)c1 681082 RAOMUJZUTYCHGF-SRZZPIQSSA-N 384.233 4.176 50 40 GIGB C[C@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4805108 BXSPCFWJSALCFW-HVATVPOCSA-N 390.612 4.412 50 40 GIGB Cc1ccc(C(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1C 5229487 YJITVOFPTTWXDW-UOBPLZBXSA-N 376.456 4.091 50 40 GIGB N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C(=O)Nc1ccccc1 59249760 SOMCSXYSZBIAKV-RAXLEYEMSA-N 386.249 4.188 50 40 GIGB C/C(N)=C(\C#N)C(=O)CSc1nc(C)nc2scc(-c3cccs3)c12 104413777 MDIKHNUGUFVNTI-LUAWRHEFSA-N 386.527 4.146 50 40 GIGB COc1cc(Br)c(O)c(/C=N/NC(=O)c2cccc3ccccc23)c1 408591229 SEQMAJYWOLAPHB-SRZZPIQSSA-N 399.244 4.080 50 40 GIGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408811258 APDUOCUNEXXTKP-KGENOOAVSA-N 385.467 4.326 50 40 GIGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cccc2ccccc12)c1ccccc1 408980848 TVNAAHWVEXZSDT-KCOUNZPASA-N 389.455 4.167 50 40 GIGB COc1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1OC 409372090 LFCGVXKKXWIBBR-ZROIWOOFSA-N 391.208 4.373 50 40 GIGB Cc1c([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)sc2ccccc12 1426906 XWNDYGCLMHFPJQ-GOSISDBHSA-N 399.475 4.280 50 40 GIGB COc1cc(C=C(C#N)C#N)ccc1OC(=O)c1ccccc1Br 3191215 PCFHJGUQIPZNFM-UHFFFAOYSA-N 383.201 4.107 50 40 GIGB COc1cc(/C=N/NC(=O)C2CC2)ccc1OCc1ccc(Cl)cc1Cl 3233744 GOVZIWQFTSOJEK-LSHDLFTRSA-N 393.270 4.441 50 40 GIGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccc(Cl)cc1Cl 3255589 JPJDXARVRWZYJP-VGOFMYFVSA-N 391.254 4.363 50 40 GIGB O=C(NNC(=S)Nc1ccccc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 5894631 DXEBZSPRCZJBDB-UHFFFAOYSA-N 397.466 4.239 50 40 GIGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1 15227456 IDKCSKOOGORPDN-QAZQYGAVSA-N 390.325 4.117 50 40 GIGB CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1O 409360296 DPGLEIQIDJJVDC-ACAGNQJTSA-N 388.217 4.346 50 40 GIGB Cc1c(C(=O)NNc2ncnc3sc4c(c23)CCCC4)oc2ccccc12 6541667 CTPHTCPOTMZUGD-UHFFFAOYSA-N 378.457 4.382 50 40 GIGB O=C(NNc1ccc(F)cc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 61430689 RKZSMWSIDGHMTI-UHFFFAOYSA-N 397.475 4.148 50 40 GIGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1O 408570722 XUXMIMPPZSRDBF-WMZJFQQLSA-N 388.196 4.243 50 40 GIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)n1 408979197 PWRRYBUAGLRNFM-RIYZIHGNSA-N 395.802 4.359 50 40 GIGB N#C/C(=C/c1ccc2c(c1)OCO2)c1ccc(I)cc1 409367493 BWEJOQFDLXJPAA-QPEQYQDCSA-N 375.165 4.084 50 40 GIGB C/C(=N\OCC(=O)N/N=C/C1=C(c2ccccc2)[C@H]2C=C[C@@H]1C2)c1ccc(C)cc1 4902704 HTWONDJZUPGHOK-OFGMQXKJSA-N 399.494 4.497 50 40 GIGB CC(C)(C)c1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 6323427 FYCRPZXCOFXCCS-CBFMJHRQSA-N 397.906 4.141 50 40 GIGB Cc1ccc(OCCOc2cccc(/C=N/NC(=O)NC3CCCCC3)c2)cc1 6657349 IFODHOWRLCKMGL-JJIBRWJFSA-N 395.503 4.419 50 40 GIGB CC(C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Cl 408541654 FAEMDFCMGYUUJP-NVNXTCNLSA-N 384.819 4.371 50 40 GIGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1 989061 JVANVKBTBYODCF-LJQANCHMSA-N 376.847 4.361 50 40 GIGB CCOC(=O)NC1CCC(OC(=O)CCCC[C@@H]2CCSS2)CC1 66542305 KOXAOMDBYYLWGG-YMAMQOFZSA-N 375.556 4.301 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 408565855 BNSOTUDGQXFXES-LPYMAVHISA-N 377.400 4.164 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC 3067306 MZQQONUOESMGIF-SRZZPIQSSA-N 379.243 4.331 50 40 GIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1 3217885 PBTDRUOYHHEKFS-JUMNCOIRSA-N 381.432 4.087 50 40 GIGB C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(-n2ccnc2)cc1 4863475 LPJPUSLJGXUAPS-KOEQRZSOSA-N 390.487 4.089 50 40 GIGB Cc1c(C(=O)NNC(=O)N[C@@H]2CCSc3ccc(F)cc32)oc2ccccc12 32795232 YHZADKZEZPPFOZ-OAHLLOKOSA-N 399.447 4.061 50 40 GIGB O=C(Cl)c1ccc(OCc2ccc(F)cc2)c(I)c1 217710300 ZSDVAHRKAHIEFJ-UHFFFAOYSA-N 390.579 4.388 50 40 GIGB COc1cc(-c2ccc(/C=N/NC(=O)Nc3ccccc3)o2)ccc1[N+](=O)[O-] 868321 XGKYXFYIAVYRMY-UDWIEESQSA-N 380.360 4.019 50 40 GIGB O=C(CCCOc1ccccc1)NNC(=O)c1sc2ccccc2c1Cl 3408787 CBZRMPKKKZVESB-UHFFFAOYSA-N 388.876 4.175 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccco1 6222391 NGFVOJUZNZAZHQ-LDADJPATSA-N 376.387 4.221 50 40 GIGB COc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(C)cc3)c2)cc1 6275186 IUKWRVOFYLTKNU-PCLIKHOPSA-N 388.467 4.275 50 40 GIGB C/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(O)cc1 15938762 MJMVCZAIKSUMIP-AWQFTUOYSA-N 387.650 4.272 50 40 GIGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1 2669906 HWYSEJZRTDAKNB-NBVRZTHBSA-N 378.428 4.198 50 40 GIGB O=C(CCC(=O)Nc1cccc2ccccc12)N/N=C/c1c[nH]c2ccccc12 2754278 QYWKEJBJZYOYOV-MFKUBSTISA-N 384.439 4.190 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cc1 208457871 JKCHPISHPJYULY-ZVHZXABRSA-N 377.488 4.399 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 7993646 QREKPHICXPQLHE-QGMBQPNBSA-N 384.244 4.144 50 40 GIGB N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)NCCN1CCCCC1 13810475 RVDLYDKEKCIINF-PEZBUJJGSA-N 383.879 4.109 50 40 GIGB Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccccc1 408775405 HBJGACZDCIWLIK-QRVIBDJDSA-N 381.863 4.277 50 40 GIGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(=O)O)c2)o1)c1ccccc1 409222235 WGHNARCPPOMSGI-DQPIFXJKSA-N 386.407 4.429 50 40 GIGB C[C@@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1cccc(Cl)c1 654887 JOPHORDUSDXPCL-VURRPDKYSA-N 380.673 4.053 50 40 GIGB CC(=O)C1=C(OCc2ccccc2)[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 1073592 JTVDTIAFOZAUEJ-GOSISDBHSA-N 380.831 4.165 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OCc1ccc(Cl)cc1 4575722 NDNAJDIYYWFZCR-LICLKQGHSA-N 384.863 4.359 50 40 GIGB Cc1cc(C)cc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)c1 8335689 KRQLIQXFONXSNZ-SFHVURJKSA-N 391.496 4.014 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NC[C@@H]1CCCO1 39383917 CJDLYYKEUOZTOA-JQVXPOPVSA-N 391.254 4.456 50 40 GIGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1 40889282 FDPUCYVJZDWUHJ-YVLHZVERSA-N 399.288 4.460 50 40 GIGB CC(C)c1ccc([C@H]2C(C#N)=C(SCC(N)=O)N=C3CCCC(O)=C32)cc1 100703041 UJPAGVBLYYVFTP-IBGZPJMESA-N 381.501 4.298 50 40 GIGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(N(C)C)c3)c2C)cc1 408762579 PLVTYDWZYDCLIB-PCLIKHOPSA-N 388.515 4.486 50 40 GIGB CCn1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 408956818 YOQGJHRDCJDUIX-AQTBWJFISA-N 382.467 4.408 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 409125515 MVSCHAMYIZZTRD-QFIPXVFZSA-N 388.398 4.328 50 40 GIGB N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)c1cccc(F)c1 409390337 FAISBSDDNLCALY-MLPAPPSSSA-N 376.181 4.116 50 40 GIGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(Br)cc1 1052262 SJTYLOGHBADYLQ-VXLYETTFSA-N 377.307 4.141 50 40 GIGB O=C(/C=C/c1ccco1)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 1436500 BKWWSWRYASGXAD-OKTVNARPSA-N 394.814 4.316 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)NC(C)C)c(C)n1-c1sc2c(c1C#N)CCCC2 4723277 GQMBHVXVHBJHTI-LICLKQGHSA-N 392.528 4.338 50 40 GIGB Cc1cc(-c2n[nH]c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)c(C)s1 5130114 JPYLTTMXIOKIIV-QGZVFWFLSA-N 387.468 4.455 50 40 GIGB CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 30814043 PGSZMLSEUWQRBU-JAIQZWGSSA-N 387.233 4.358 50 40 GIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)cc1 408797550 RVENDNOXABUTHK-MDWZMJQESA-N 375.211 4.326 50 40 GIGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(N)=O)c1 408882632 RJGKIBZISXLGIZ-LZYBPNLTSA-N 385.261 4.037 50 40 GIGB N#C/C(=C/c1ccc(Br)s1)C(=O)NCCCc1ccccc1 409239783 FDIUGHZVCNMXSD-KAMYIIQDSA-N 375.291 4.167 50 40 GIGB Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(COc3ccc(Cl)cc3)c21 1073677 GOPYAWMQHUSYIO-SFHVURJKSA-N 392.846 4.169 50 40 GIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1 1083329 LFOOZKLTEDTNSU-ZVHZXABRSA-N 399.277 4.380 50 40 GIGB CCOc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 1254338 SFDQKDGOVHWSOR-DYESRHJHSA-N 388.471 4.078 50 40 GIGB CC(/C=N/NC(=O)CCn1nnc2ccccc21)=C\c1ccc(C(C)C)cc1 1947253 NWEGIVNYYVCMBU-KWAFQGHKSA-N 375.476 4.150 50 40 GIGB CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 3268288 MQQVISFTKKLDLN-AAMUTCKCSA-N 380.831 4.462 50 40 GIGB O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cc2c(s1)CCCC2 6507662 KUFLTVZUUTYWFV-UHFFFAOYSA-N 390.508 4.220 50 40 GIGB C/C(=N/NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(C)cc1 12447448 RAHHVBBNZSTRDL-ULJHMMPZSA-N 383.923 4.401 50 40 GIGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccccc1 36224004 YCHAHFPUZSTWNJ-MYYYXRDXSA-N 392.430 4.106 50 40 GIGB Cc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 409193728 LARNNCCWYMZURG-UUYOSTAYSA-N 396.834 4.420 50 40 GIGB O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccc(Br)cc1 827819 DWTRCDDHPRGOOY-KEBDBYFISA-N 388.652 4.415 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccccc2/N=C/c2ccc(OC)cc2)cc1 2766164 MZSIFGYRTTVBAB-FEZYOMQXSA-N 387.439 4.218 50 40 GIGB C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)Cc1ccc(Cl)cc1 5379211 WRUCLEPNROLWPE-YDZHTSKRSA-N 392.286 4.365 50 40 GIGB CC1(C)[C@H]2CC=C(/C=N/NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)[C@@H]1C2 7738124 BKZJZFZLJPSXNW-JWVXBQCRSA-N 390.409 4.150 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(C#N)cc2)c(C)c1 20194942 JNOCXIXVFVXOPR-JVWAILMASA-N 397.478 4.447 50 40 GIGB C[C@H](CCC(=O)NN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 28296332 BXSPCFWJSALCFW-XBPFTBONSA-N 390.612 4.412 50 40 GIGB C=CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC 409148966 VEFMRSBTJKYAFP-IBGZPJMESA-N 398.846 4.227 50 40 GIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(C)cc3)o2)c1 409168494 MYDLQSDBVRLDRG-OEAKJJBVSA-N 376.412 4.196 50 40 GIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)cc(C)c2nc1Cl 786871 HMOBKXSFWHVCJF-KRWDZBQOSA-N 397.862 4.150 50 40 GIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 841912 XEHZSFGOUIXKAN-QGZVFWFLSA-N 380.831 4.122 50 40 GIGB O=C(N/N=C/c1[nH]c2ccccc2c1Cl)c1ccccc1Br 2754260 IDLLYGZKJZWKBT-DJKKODMXSA-N 376.641 4.348 50 40 GIGB CCOc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccccc2)C3)cc1 33722262 CUDXZLSIZDWSQX-MYYYXRDXSA-N 385.467 4.369 50 40 GIGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1O 43078938 GQVPBZBJUOXHQH-KPKJPENVSA-N 384.233 4.494 50 40 GIGB CC(C)(C)OC(=O)N1[C@@]2(C)C[C@@H](Br)[C@H](Br)C[C@@]12C 104277536 KVQHWEOFWCKLPY-PKAZXXOQSA-N 383.124 4.075 50 40 GIGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C)cc1Cl 409059198 VHRUNCZZYDQRQZ-DJKKODMXSA-N 381.657 4.183 50 40 GIGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCCC)c2)cc1OCC 409330423 AKEHNHCIEDDGOW-KQWNVCNZSA-N 382.460 4.203 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccc(C)cc1 409374266 ZPFYVQILBTUFQA-DEDYPNTBSA-N 376.456 4.112 50 40 GIGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1cccc(Cl)c1 409382847 RZANFKQYBULCQC-ZMOGYAJESA-N 380.879 4.310 50 40 GIGB OCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F 642882881 IUPPRNPOYFAMKV-ZCFIWIBFSA-N 396.084 4.176 50 40 GIGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(F)F)cc1)C(C#N)=C(N)O2 1088789 SUVYRQXFEPVYTA-SFHVURJKSA-N 394.381 4.000 50 40 GIGB CC(C)O[C@@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br 1615193 KBAJNAKXIYPNNE-AMIZOPFISA-N 380.076 4.427 50 40 GIGB COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc(C)cc2)cc1 2494620 CRQRNXOUAVXWRS-VGSWGCGISA-N 386.451 4.212 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c([N+](=O)[O-])c1 4671885 MMTZPOUSKBDSEL-UKTHLTGXSA-N 386.205 4.211 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 5814398 SNZBBQUFSXMOTG-MHWRWJLKSA-N 380.831 4.215 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 14151876 YOLBUYHHMUXIGE-NTEUORMPSA-N 393.468 4.061 50 40 GIGB Cc1ccsc1C(=O)/C(C#N)=C\c1cc2ccccc2nc1N1CCOCC1 58264733 PTZWTZBCEULZQK-AQTBWJFISA-N 389.480 4.231 50 40 GIGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 59473347 CJTVFOMSHKUWDH-XMOVILSBSA-N 390.892 4.132 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccc(C#N)cc2)cc1)C(=O)NCc1ccccc1 408925359 JPYDVVPUUNRSAH-OEAKJJBVSA-N 393.446 4.361 50 40 GIGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1Br 4740787 NYCLDIQTLTUGLS-CNHKJKLMSA-N 388.048 4.225 50 40 GIGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1O 8106744 KWBASNKIMUJZCU-SDQBBNPISA-N 375.178 4.136 50 40 GIGB N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1 31820093 XEEXZAUDOWIVGR-JOCHJYFZSA-N 380.451 4.473 50 40 GIGB C[C@H](CCC(=O)NN)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253505220 BXSPCFWJSALCFW-MBUOMZPGSA-N 390.612 4.412 50 40 GIGB CC/C(=N\NC(=O)CCSc1ccc(C)cc1)c1ccc(OC)c(OC)c1 409143443 NESKEJDPLPQCSX-RELWKKBWSA-N 386.517 4.425 50 40 GIGB COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(F)cc3)C3=C2CCCC3=O)cc1 1058096 QQFAEDULYSRIRR-NRFANRHFSA-N 389.430 4.139 50 40 GIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(CC)cc2)C(C#N)=C(N)O3)cc1 5489506 LCYJCTDKDVHQJZ-IBGZPJMESA-N 386.455 4.256 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1C[C@H]1CCCO1 7654333 ZHRAREUSMXSFIP-FVECTHPASA-N 383.879 4.483 50 40 GIGB C/C(CC(=O)Nc1ccccc1Cl)=N\NC(=O)c1cc2ccccc2cc1O 18173430 VSVSGXAGLKBTDN-ZMOGYAJESA-N 395.846 4.333 50 40 GIGB CCn1c(C)c(/C=N/NC(=O)c2ccccc2Br)c2ccccc21 20760302 SIVFUUGGBQRBQO-CIAFOILYSA-N 384.277 4.496 50 40 GIGB N#C/C(=C/c1cccc(I)c1)Cn1cnc2ccccc21 408691540 CXVKQKXRFSZKLI-ZSOIEALJSA-N 385.208 4.248 50 40 GIGB Cc1cccc(COc2ccccc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 409138084 ZTCFEZHLVQJZFD-QFIPXVFZSA-N 386.451 4.389 50 40 GIGB O=C(N/N=C/c1ccc(O)c(O)c1)c1cc(-c2ccccc2)nc2ccccc12 863774 VRSXUCYVVZRAMO-ZVHZXABRSA-N 383.407 4.077 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@H]2C[C@H](c3ccccc3)CC=C12 4333811 BFDLPNAMAQGGCB-AGHHOFFYSA-N 377.451 4.069 50 40 GIGB O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(F)cc1 4784633 IBVPNQBQBRJSHG-FBHDLOMBSA-N 387.754 4.411 50 40 GIGB O=C(CSc1ccccc1F)N/N=C/c1ccc(N2CCCCC2)s1 8514550 IFLQYWSZQFYKQT-UDWIEESQSA-N 377.510 4.120 50 40 GIGB N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1cccc(F)c1 20348313 YHFJLAYMMWXWIG-SFHVURJKSA-N 379.460 4.041 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1Br 33601956 RRCPQSKMZULVOR-CIAFOILYSA-N 383.245 4.375 50 40 GIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc2ccccc12 59459587 OKGNWXKWYSRKIX-SSDVNMTOSA-N 386.238 4.235 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@]43C)o2)cc1[N+](=O)[O-] 408721978 BWNRYVUWOAHLNY-DNFLGLBLSA-N 381.432 4.440 50 40 GIGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)o1 2783192 CNBFORZCQGLHEE-SFQUDFHCSA-N 386.407 4.177 50 40 GIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(Cl)cc(Cl)c1O 4719132 OGVIKBCKEPNDCL-ZVBGSRNCSA-N 375.211 4.322 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)c1 5511459 NGFDJDXPAFDCSP-WSDLNYQXSA-N 382.803 4.151 50 40 GIGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 8320981 FOJRDZPAHSQATL-VGOFMYFVSA-N 398.267 4.349 50 40 GIGB COc1ccc(/C=N\NC(=O)Cc2cccs2)cc1OCc1ccccc1 33351367 CEBVYHWXWGKKEB-HMAPJEAMSA-N 380.469 4.029 50 40 GIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1 59445160 ZWEISHZTRBUPTF-YDZHTSKRSA-N 393.374 4.077 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2coc(-c3ccc(C)cc3)n2)cc1OC 78999038 ZBFVVJNTHHMLQR-MHWRWJLKSA-N 389.411 4.213 50 40 GIGB CCOC(=O)c1sc(N/C=C(\C#N)c2nc3ccccc3o2)c(C#N)c1C 101123494 VNZBBEFPOKSWCZ-ZRDIBKRKSA-N 378.413 4.223 50 40 GIGB COc1ccc(C(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)cc1 408719983 QVKGQSQBONAUPY-PCLIKHOPSA-N 387.439 4.102 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC)c(Cl)c2)cc1 408789670 QVOMXBQFRUQISB-LFIBNONCSA-N 398.846 4.461 50 40 GIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)c(F)c1 409130391 HQUGCQSWHAGDME-YBEGLDIGSA-N 399.853 4.170 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1[C@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 1002748 OTNMYKZNIYCTRV-DENIHFKCSA-N 394.482 4.083 50 40 GIGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1c(C)cccc1C 2271788 VWOOBPCRMHQCKH-DHRITJCHSA-N 389.455 4.050 50 40 GIGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(N)=O)n2)cc1 2313163 QNTZZDVHJXXBCB-NTCAYCPXSA-N 390.468 4.284 50 40 GIGB C/C(CC(=O)Nc1ccc2ccccc2c1)=N\NC(=O)COc1ccccc1C 4416350 MEPZKJWSWYDPLD-KOEQRZSOSA-N 389.455 4.048 50 40 GIGB Cc1cc(/C=N/NC(=O)CC(C)C)c(C)n1-c1ccccc1Br 20241395 PYTVIJPMBSHSSN-RGVLZGJSSA-N 376.298 4.353 50 40 GIGB O=C(CCCc1ccc2c(c1)CC(=O)N2)NN=C(c1ccccc1)c1ccccc1 97551727 IYUWMTXYFYHDIA-UHFFFAOYSA-N 397.478 4.073 50 40 GIGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100923084 WGHHCMADMYKFTH-BUVRLJJBSA-N 381.476 4.127 50 40 GIGB Cc1c(/C=C(/C#N)c2nc3ccccc3[nH]2)c(O)n2c(nc3ccccc32)c1C#N 103982993 ABUORNLGHYDRAT-UVTDQMKNSA-N 390.406 4.314 50 40 GIGB O=C(N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)c1ccncc1 409083702 VTXRTKNEXWTWJE-QFEZKATASA-N 375.472 4.019 50 40 GIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)n1 409379817 ZTSMDZDLGFHYBB-CXUHLZMHSA-N 376.372 4.224 50 40 GIGB COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc2ccccc2o1 1105485 NNXKCXRKMNVRLA-WSDLNYQXSA-N 391.452 4.232 50 40 GIGB CC[C@@H](C)c1ccccc1OCCCOc1c(/C=N/NC(N)=O)cccc1OC 4599887 CLYRPIOKKCVDHO-DTVDJLOLSA-N 399.491 4.059 50 40 GIGB CCOC(=O)/C(C)=N/NC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 4750932 JTNDDUUBUHZHKV-FSJBWODESA-N 383.835 4.157 50 40 GIGB CCCC(=O)N1c2ccc(-c3csc(NC(=O)CCCl)n3)cc2C[C@H]1C 4892816 ZGIKXBMXSBQXGE-GFCCVEGCSA-N 391.924 4.455 50 40 GIGB COc1ccc(OC)c(/C=N\NC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)c1 5342702 UPXOJHGUFMJFMP-YOBACFSGSA-N 384.476 4.053 50 40 GIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 48573466 UPWYWAXUKROTGS-CIAFOILYSA-N 383.791 4.201 50 40 GIGB N#C/C(=C\c1cccc2c1OCCCO2)C(=O)Nc1ccccc1C(F)(F)F 53105705 LLTDSYIWLVAVLV-SDNWHVSQSA-N 388.345 4.412 50 40 GIGB Cc1ccc(-n2c(C)cc(C=C(C#N)C#N)c2C)cc1I 408725164 FPSCTLUMLHRVIE-UHFFFAOYSA-N 387.224 4.438 50 40 GIGB CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1O 409250325 NBVONBFZZZIZGC-LCYFTJDESA-N 376.334 4.355 50 40 GIGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3O)cc2)cc1 948753 YFAMTMQYDHMAJL-XMHGGMMESA-N 398.418 4.466 50 40 GIGB COc1cccc([C@@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1 2240908 FDWMRCIVFWUQKG-INIZCTEOSA-N 395.459 4.054 50 40 GIGB aggregator N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1ccccc1F 2439652 RDEOWNAXPKGFPC-INIZCTEOSA-N 383.423 4.184 50 40 GIGB N#CC1=C(N)S[C@@H](C(=O)c2ccc(Br)cc2)[C@@H]1c1cccs1 4115191 CVGKFLMZXXBOQV-DZGCQCFKSA-N 391.315 4.286 50 40 GIGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N3C2)cc1 4923514 CZQNDHLGWUAFQD-GOSISDBHSA-N 379.460 4.354 50 40 GIGB O=C(N/N=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1)[C@@H]1CC12CCC2 15938105 JGGQPJOTOLUDOS-JWVSKQTPSA-N 375.428 4.319 50 40 GIGB O=C(N/N=C/c1cc(Cl)c(O)c(Cl)c1)c1ccc(N2CCCC2)cc1 408677570 RXPHVLMMWCGUGI-SRZZPIQSSA-N 378.259 4.063 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1cccc(C(=O)O)c1 408747331 MIWNBCIQQVDQSG-MTJSOVHGSA-N 399.450 4.016 50 40 GIGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc21 408779168 BAKZYSFTYGOEMV-ZROIWOOFSA-N 393.830 4.013 50 40 GIGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 408966860 NVKJRIGRMYARNH-OEAKJJBVSA-N 390.443 4.329 50 40 GIGB N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@H]1c1ccccc1 720230 FQPTYJOPLZYVPR-IBGZPJMESA-N 377.394 4.270 50 40 GIGB O=C(OCCCl)Oc1c(Cl)cc2oc(=O)sc2c1Br 4474050 WLWCFAJVCIRTJP-UHFFFAOYSA-N 388.022 4.025 50 40 GIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(Cl)c1Cl 4735331 NNQCLMLJGKZUTD-DJKKODMXSA-N 386.076 4.449 50 40 GIGB CC(C)NC(=O)/C(C#N)=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 5845422 ZMHIBWAEDVQVOD-GZTJUZNOSA-N 388.427 4.029 50 40 GIGB CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc([C@@H](C)CC)cc1 8733028 TZPDXQLSKRTVGU-BBRMVZONSA-N 383.330 4.209 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 14134832 AEWDLLSCAMGCPR-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB CC[C@H](Br)C(=O)Nc1nc2c(C)cc(Br)cc2s1 20132192 CVJALYGFILKHOE-QMMMGPOBSA-N 392.116 4.479 50 40 GIGB O=C(CCCC[C@H]1CCSS1)NC1CCN(Cc2ccccc2)CC1 61476341 YEPHEPIDMVGMSV-IBGZPJMESA-N 378.607 4.481 50 40 GIGB biogenic COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1 408797801 CVFKYBZMJVXGHP-MDWZMJQESA-N 387.233 4.017 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)c(F)c2)cc1 409099411 SDLMLOBFCAQYFL-LGMDPLHJSA-N 379.435 4.370 50 40 GIGB CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCCC)cc2)cc1 4314244 SIZZGDONCJIPHE-UHFFFAOYSA-N 384.476 4.119 50 40 GIGB CC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccco1)C(=O)CCl 4875520 IAPJRCFFOMMGON-QGZVFWFLSA-N 397.302 4.156 50 40 GIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)cc3)CC(=O)N2)cc1 9110861 WLXKPTKFXPSMDW-SFHVURJKSA-N 391.496 4.014 50 40 GIGB Cc1cc(C(=O)NN=C2CCCCCC2)c2c(C)nn(-c3ccccc3)c2n1 17076806 LXHJBIWOJYKACC-UHFFFAOYSA-N 375.476 4.477 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(C)c1 20194374 MKKWLPAXFBFJLK-YDZHTSKRSA-N 391.427 4.473 50 40 GIGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Cl)cc1Cl 20248612 GDCJNKGRFHMEBM-UFWORHAWSA-N 398.271 4.285 50 40 GIGB Nc1ccc(C(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 95671053 UDDVUSJDTTVZQT-UHFFFAOYSA-O 396.450 4.446 50 40 GIGB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NN(c1ccccc1)c1ccccc1 409182007 HIMCMZKGFQWFKX-LJQANCHMSA-N 381.476 4.255 50 40 GIGB CN(C)c1ccc(/C=C/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 6247460 JYKRTDWHVLZVAV-QJRDPUHFSA-N 394.456 4.305 50 40 GIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OCc1ccccc1 12349868 FZDMESRJMCUKSL-HSZRJFAPSA-N 399.450 4.075 50 40 GIGB COc1cc(C(=O)NNC2c3ccccc3-c3ccccc32)ccc1OC(C)C 15490188 ZPYLVIBTAPEDPJ-UHFFFAOYSA-N 388.467 4.487 50 40 GIGB COc1cc(OC)cc(C(=O)N/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 33750223 NDBSYLIGTBCXMU-OYKKKHCWSA-N 391.471 4.184 50 40 GIGB CCOc1ccc(Br)cc1/C=C/C(=O)Oc1ccc([N+](=O)[O-])cc1 101699132 KJCMDEXMEFVGDA-XCVCLJGOSA-N 392.205 4.375 50 40 GIGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 207041122 JLXBTGOARDOQEJ-ZROIWOOFSA-N 386.835 4.302 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(C)=O 408764079 LDPFJURRGSLAGK-UFFVCSGVSA-N 395.242 4.081 50 40 GIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(N2CCCC2)o1 408847653 QWRPFANWLSDQCC-JLPGSUDCSA-N 389.455 4.076 50 40 GIGB CC(C)COC(=O)N1CCC[C@@H]1C(=O)NN(c1ccccc1)c1ccccc1 409001481 IQYADXAHSOIKOG-HXUWFJFHSA-N 381.476 4.113 50 40 GIGB CCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2cccc(C(F)(F)F)c2)C1=O 5021826 ISEHLAKYVITIOR-WJDWOHSUSA-N 377.366 4.010 50 40 GIGB COc1cc(/C=N/NC(=O)c2cccc(C)c2O)ccc1OCc1ccccc1 5943057 DAOYUCWLDWZFFY-ZVHZXABRSA-N 390.439 4.052 50 40 GIGB COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 6793192 QUFRQDZLIAULAG-JYRVWZFOSA-N 387.233 4.012 50 40 GIGB Cc1ccccc1OCCOc1ccc(/C=N/NC(=O)Cc2cccs2)cc1 8571565 ZZOJSPSRPDDNBL-XQNSMLJCSA-N 394.496 4.207 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc(C#N)c2)cc1 20764490 WZSQIFZENDTJIF-WGOQTCKBSA-N 399.450 4.300 50 40 GIGB O=C/C(=C/Nc1ccc(Br)cn1)c1nc2cc(Cl)ccc2o1 100929690 VWGIXZATTODPCO-TWGQIWQCSA-N 378.613 4.291 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1ccc2ncccc2c1 408964636 DXJCXBGVIGNRCF-AFUMVMLFSA-N 384.439 4.112 50 40 GIGB CCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)cc1OCC 2768335 CPGPYWGBRJHGLE-DEDYPNTBSA-N 378.472 4.406 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 5494637 KGDHRMOPTIGUMN-JVWAILMASA-N 396.450 4.459 50 40 GIGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccco3)c2C)cc1 5610635 DLHCOUNHXPYOEP-CPNJWEJPSA-N 389.455 4.309 50 40 GIGB COc1ccccc1[C@H]1CC(=O)N2CN(c3ccccc3C)CSC2=C1C#N 6746313 UKPBERGFNXYNLX-QGZVFWFLSA-N 391.496 4.223 50 40 GIGB O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccc(Cl)cc1 7931858 VELDUZFALRCXHA-AWQFTUOYSA-N 376.641 4.348 50 40 GIGB O=C(CCCC[C@H]1CCSS1)N1CCC[C@@H]1c1nnc2ccccn12 29079666 CAWKTKJOMYYDPY-LSDHHAIUSA-N 376.551 4.107 50 40 GIGB biogenic CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1Cl)[C@H](Br)C2=O 100834630 QFNRBQIMRXBWHH-CSMYWGQOSA-N 384.701 4.437 50 40 GIGB CN(C(=O)CCl)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918391 IMPPITSCOUNNJN-GRCXZVSFSA-N 381.988 4.456 50 40 GIGB Cc1nc2sccn2c1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 408869646 QESFLFXBPRMGAH-JMIUGGIZSA-N 384.848 4.382 50 40 GIGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 948333 MKEHKGVIHIVPBR-HMMYKYKNSA-N 375.472 4.192 50 40 GIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 3081815 OHSZRZYOUFQJCG-WSDLNYQXSA-N 393.399 4.001 50 40 GIGB O=C(N/N=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(O)cc1 3420499 AGJQYPKAVVIMAD-YDZHTSKRSA-N 393.830 4.062 50 40 GIGB O=C(N/N=C/c1c[nH]c2ccccc12)C1CCN(Cc2ccc(Cl)cc2)CC1 5648477 ZNQKKPGPGKMEPM-AFUMVMLFSA-N 394.906 4.184 50 40 GIGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1 9088587 MKLJQIQTNOJTIH-LBPRGKRZSA-N 399.299 4.018 50 40 GIGB CCO[C@@]1(C(=O)Nc2ccc(OCCBr)cc2)CCC[C@@H](C)C1 225714282 YQQBYRVDITUJJT-KDOFPFPSSA-N 384.314 4.384 50 40 GIGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1 408840143 XYEUHTMQDZUEJK-NZTOXLHLSA-N 387.414 4.242 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 408930910 DRNDZWIEVBPQCE-ZMOGYAJESA-N 387.361 4.269 50 40 GIGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)cc1OC 3272741 KRJUHRJTDFDKNU-RGEXLXHISA-N 392.499 4.267 50 40 GIGB N#C/C(=C\c1ccccc1Br)c1nn(-c2ccccc2)c(N)c1C#N 5776126 CJUBWOGCBKMSPN-GXDHUFHOSA-N 390.244 4.153 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)sc(C)c1C 6076399 ZOAJJXACOVXSDS-GDNBJRDFSA-N 384.457 4.096 50 40 GIGB CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)N/N=C/c1ccccc1O 6625443 GODLWJWCTCMEJX-CGOYFXRGSA-N 390.487 4.329 50 40 GIGB COc1ccc(/C=C2\Oc3cc(OCCBr)ccc3C2=O)cc1 9305760 TXOSRDYZVVRDKS-YVLHZVERSA-N 375.218 4.085 50 40 GIGB O=C(CCCNc1ccc([N+](=O)[O-])cc1)NNc1ccc(Cl)c(Cl)c1 12540547 OOAFHIAWUGMJAA-UHFFFAOYSA-N 383.235 4.237 50 40 GIGB COc1ccc(NC(=O)NN(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 12929455 JNIGWYDVSGRPLH-UHFFFAOYSA-N 378.388 4.478 50 40 GIGB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\CCCl 13303943 UIBIMBPECFHJMJ-KXYOHKLBSA-N 381.954 4.368 50 40 GIGB Cc1cccc(C)c1NCC(=O)N/N=C\c1cccc(OCc2ccccc2)c1 30738372 ONLKZCYLJBXHOS-YSMPRRRNSA-N 387.483 4.445 50 40 GIGB CC1=C(C)[C@H](OCCCl)N(C(C)(C)c2cc(O)c(Cl)cc2F)C1=O 199414050 WRRUDKUIUMILIN-INIZCTEOSA-N 376.255 4.180 50 40 GIGB COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1O 408691788 QCHMBTHNRIGDDC-MLPAPPSSSA-N 384.233 4.120 50 40 GIGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccccc1OCc1ccccc1C#N 408956908 RSRRLVRWVQXGEZ-BSOPYRCCSA-N 387.483 4.414 50 40 GIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccn2-c2ccc(O)cc2)cc1 409017130 FLSGEXIBSAMQPO-PCLIKHOPSA-N 398.466 4.354 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2)sc2c1CCCC2 5186676 SDSUNPWVVAUKSK-QINSGFPZSA-N 380.469 4.349 50 40 GIGB O=C(NNC(=S)Nc1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 5752617 IMNVOQMOLNAOBF-UHFFFAOYSA-N 379.272 4.106 50 40 GIGB CCOc1ccc2nc(C(=O)CCC(=O)OC(CCl)CCl)sc2c1 5874497 QPHPDAMWESOYDU-UHFFFAOYSA-N 390.288 4.047 50 40 GIGB Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 6479170 RLGHCVRIQYUFEQ-QGZVFWFLSA-N 391.496 4.014 50 40 GIGB COc1ccc(-c2coc3cc(OCCBr)ccc3c2=O)cc1 6760330 OBMGGTPNVMBTRM-UHFFFAOYSA-N 375.218 4.242 50 40 GIGB biogenic C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC 408809337 GQNJYUIUMXEUNI-AQTBWJFISA-N 390.414 4.120 50 40 GIGB N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1 720231 FQPTYJOPLZYVPR-LJQANCHMSA-N 377.394 4.270 50 40 GIGB NC(=O)[C@@H](c1ccc(Cl)cc1)c1ccc(N(CCCl)CCCl)cc1 1702653 RCQXDTYWFBSBTE-KRWDZBQOSA-N 385.722 4.241 50 40 GIGB COc1ccccc1NC(=O)N/N=C/c1ccc(-c2ccc(C)c(C(=O)O)c2)o1 4715883 MJTZLIBGLYUKIU-WSDLNYQXSA-N 393.399 4.117 50 40 GIGB C/C(=N/NC(=O)Cc1c(C)n(Cc2ccccc2)c2ccccc12)c1ccccn1 12346053 LWSPSVXVUJFPAE-IMRQLAEWSA-N 396.494 4.476 50 40 GIGB CCOC(=O)/C(C#N)=C(\C=C\c1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 96765763 KQPLFGNOWZFYFM-XIGCGSTFSA-N 388.423 4.129 50 40 GIGB N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)C(=O)Nc1ccccc1F 408808346 FCJWFIAFCVNHDE-YHYXMXQVSA-N 395.615 4.493 50 40 GIGB N#CC1=C(N)OC(c2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1 704321 ASELGUIZMUTTIQ-KRWDZBQOSA-N 378.229 4.192 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(Br)cc1 985156 LBCJFMSQWJNWPK-HNNXBMFYSA-N 393.244 4.057 50 40 GIGB COc1cccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c1 1445126 FZYMGSATJZKKHV-BUVRLJJBSA-N 387.439 4.020 50 40 GIGB C=CCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2s1 3663370 JEJZDDJDHJYEJA-UDWIEESQSA-N 383.498 4.104 50 40 GIGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1O 4694079 PBPBQGGLTPJLLL-YDZHTSKRSA-N 380.831 4.389 50 40 GIGB COc1cccc(C(=O)N/N=C(/C)c2cccc(NC(=O)C3CCCCC3)c2)c1 5381312 ZAMZNUYFMIGSGI-XYGWBWBKSA-N 393.487 4.368 50 40 GIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 6761433 FCORHFWTAVUZBT-WSDLNYQXSA-N 381.819 4.322 50 40 GIGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6899350 ISPRNDYNBCAPPG-KYWOULDRSA-N 379.416 4.457 50 40 GIGB N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 301398484 GSJCHFIWZVFNAW-XFFZJAGNSA-N 377.625 4.354 50 40 GIGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccccn1 409237997 KRFBAZPRPTTWKA-WGOQTCKBSA-N 382.467 4.335 50 40 GIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N(C)C)c(Br)c1)c1ccccc1 6427820 VNYURQCDRDDEJH-RQNDZEIBSA-N 398.304 4.299 50 40 GIGB COc1ccc(C(=O)/C(C#N)=C/c2ccccc2I)cc1 6790719 ICPANLLVLOCYGJ-GXDHUFHOSA-N 389.192 4.090 50 40 GIGB CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OC 8846179 ZPMCQNBMTXHQNX-OAQYLSRUSA-N 379.460 4.065 50 40 GIGB CC/C(=N\NC(=O)c1ccccc1Br)c1ccc(OC)cc1OC 20761180 OQKNUNHTXGTDKV-CAPFRKAQSA-N 391.265 4.010 50 40 GIGB Cc1ccc(Sc2ccc(/C=N\NC(=O)c3ccncc3)cc2[N+](=O)[O-])cc1 32117131 ZIATWMUGSKKRRZ-XKZIYDEJSA-N 392.440 4.213 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1cccc(C)c1 59224529 QMZMNKLCKRBYGC-NDENLUEZSA-N 378.472 4.404 50 40 GIGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1 59433166 HNQZDFXXDOQBFE-SSDVNMTOSA-N 398.802 4.071 50 40 GIGB CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(Br)c2)C(C#N)=C(N)O1 226760678 ZHQSJAJGEVWBME-GOSISDBHSA-N 395.256 4.414 50 40 GIGB O=C(C[C@@H](Br)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 255189109 NTSAVLYIIQIZAB-HNNXBMFYSA-N 387.682 4.108 50 40 GIGB Cc1ccsc1/C=N/NC(=O)CCCC(=O)Nc1cccc(Cl)c1C 409157503 VVMBHGYRIONHEB-RGVLZGJSSA-N 377.897 4.277 50 40 GIGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1573957 MKOPGRMSHHCCTE-ZVBGSRNCSA-N 390.226 4.426 50 40 GIGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1c2ccccc2cc2ccccc12 3235797 XSCVNCWFLIVXAU-BRJLIKDPSA-N 396.372 4.359 50 40 GIGB Cn1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c2ccccc21 13943624 NZBDMYOSTVKKBO-MYYYXRDXSA-N 383.451 4.374 50 40 GIGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 67190147 QQWLTLWTTIYYCI-MDWZMJQESA-N 376.334 4.268 50 40 GIGB O=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 102618715 ANOBNPLGALEXPJ-UHFFFAOYSA-O 396.450 4.368 50 40 GIGB Cc1n[nH]c2c1[C@@H](c1cccc(OCc3ccc(Cl)cc3)c1)C(C#N)=C(N)O2 622955 DCHBMMCUYPTUKP-IBGZPJMESA-N 392.846 4.169 50 40 GIGB CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2C1 6746312 UFFLKZZDTDHXKB-KRWDZBQOSA-N 391.496 4.305 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1Br 7889988 DYSZTVQGXFCKRM-FYJGNVAPSA-N 398.260 4.012 50 40 GIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br 408819138 ZRMMLLOUVGXYKV-UVTDQMKNSA-N 399.219 4.146 50 40 GIGB COc1cccc2cc(C(=O)N/N=C/c3ccc(-c4ccc(C#N)cc4)o3)oc12 409023260 ZVLPDJATCKZQAC-ZMOGYAJESA-N 385.379 4.337 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OC 409064593 HQINQPOCFONZGE-QGOAFFKASA-N 392.455 4.377 50 40 GIGB COc1ccc([C@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc1 2360810 ISAXNPPVROJMBM-MRXNPFEDSA-N 395.459 4.054 50 40 GIGB Cc1cc(OCC(=O)N/N=C/c2ccc(Br)cc2)cc(C)c1Cl 3033883 IKAGPWJOPROYLK-AWQFTUOYSA-N 395.684 4.248 50 40 GIGB Cc1n[nH]c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 4473511 NVPHARSGOBKJFA-IBGZPJMESA-N 392.846 4.169 50 40 GIGB O=C(CCl)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1 51330548 NKLJGMXFYQKMGP-MRXNPFEDSA-N 377.669 4.366 50 40 GIGB CCOC(=O)/C=C(\C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 72399810 HVSMZJIWCUCNOS-XUTLUUPISA-N 389.455 4.490 50 40 GIGB in-vitro C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1O 409142298 XYCQOMFXLOOGMR-RGVLZGJSSA-N 383.300 4.473 50 40 GIGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)CC2=O)cc1C 409154151 JWPFQMYLHUFJSS-CPUXBYDOSA-N 391.515 4.104 50 40 GIGB CCOCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 3304521 QMDNUFQJXJYSOF-QGOAFFKASA-N 385.895 4.197 50 40 GIGB CCOP(=O)(OCC)[C@@H](NC(=O)c1ccc(Cl)cc1)C(Cl)Cl 5462877 XTOQOBWMEKXCJS-CYBMUJFWSA-N 388.615 4.466 50 40 GIGB C/C(=N\NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(C#N)cc1 5785197 PIALUWSMIHZZQC-WGOQTCKBSA-N 387.414 4.430 50 40 GIGB COc1ccc(-c2cc(C(=O)N/N=C(/C)c3cccc4ccccc34)[nH]n2)cc1 6157705 RRDSLQPPQJWIMX-IWIPYMOSSA-N 384.439 4.393 50 40 GIGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 9190157 JKYRDXOITGPAHR-ZMOGYAJESA-N 396.805 4.462 50 40 GIGB COc1cc(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1OC 409212595 QVMYNAWSCFGWJS-QPEQYQDCSA-N 389.205 4.439 50 40 GIGB COc1ccccc1-c1cc(C(=O)N/N=C/c2cccnc2)c2ccccc2n1 1003425 CIUOKMGZDGKZPF-MFKUBSTISA-N 382.423 4.069 50 40 GIGB Cc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Br 6215396 WJFMUWXINLENCD-GIJQJNRQSA-N 396.082 4.284 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c1C 7164414 IIMWHAAPTQBHCW-MKMNVTDBSA-N 399.244 4.340 50 40 GIGB C/C(=N\NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1 13108672 OTDFCELACZUSHG-MFKUBSTISA-N 375.403 4.232 50 40 GIGB O=C(Cc1ccccc1)NNC(=O)N1c2ccccc2Sc2ccccc21 13988841 LGKQURVCLHSULC-UHFFFAOYSA-N 375.453 4.273 50 40 GIGB Cc1ccc(C)c(-n2nc(C)c(/C=C(\C#N)C(=O)NC3CCCC3)c2Cl)c1 14178555 BLZPGMXTIUJZCN-LFIBNONCSA-N 382.895 4.417 50 40 GIGB CCOc1ccc(Br)cc1/C=N\NC(=O)c1cc2ccccc2o1 83292288 HHKASNMEIGBMRM-JAIQZWGSSA-N 387.233 4.358 50 40 GIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccc(C)c(C)c1 408878794 BSULFBWKMWHEIM-CAOOACKPSA-N 384.863 4.327 50 40 GIGB O=C(N/N=C\c1cc(Cl)c(O)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1 408904757 OEYPTDKGVCNADO-GXHLCREISA-N 394.170 4.117 50 40 GIGB O=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)c1cc2cc(Cl)ccc2o1 409021734 VPOWZLQUNYIRDL-GXHLCREISA-N 394.170 4.117 50 40 GIGB Cc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1 1052152 HOLNYYCPBHCYDP-VXLYETTFSA-N 377.307 4.141 50 40 GIGB COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N3C2)cc1 2347287 LWYMDDMGHSKMIH-SFHVURJKSA-N 395.459 4.054 50 40 GIGB COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 4263920 MPQSEWDDBGAYDD-LZYBPNLTSA-N 390.420 4.390 50 40 GIGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4)CC(=O)N3C2)cc1 4923159 NRMMQEQRWDWGFG-LJQANCHMSA-N 375.497 4.468 50 40 GIGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2sccc2C)CC(=O)N1 9015400 KXUQFCFQCFPHHT-CQSZACIVSA-N 397.525 4.076 50 40 GIGB CCCCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1OC 23217454 WULWETXZZPQMID-HMMYKYKNSA-N 378.472 4.140 50 40 GIGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 34902582 JQVKOFUANWCGLR-JLPGSUDCSA-N 388.423 4.068 50 40 GIGB COc1ccc(CC(=O)N/N=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 208222646 UAFLPAVVSXHOFQ-PHQOBFFQSA-N 379.504 4.110 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(Cl)c1O 408774629 XKVMFUJHGULROE-AUWJEWJLSA-N 386.835 4.387 50 40 GIGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2276370 RLALFRCVMDFTSD-CIAFOILYSA-N 383.791 4.201 50 40 GIGB CCN1C(c2ccc(OC)cc2)=CS/C1=C(\C#N)c1nnc2n1CCCCC2 3183451 FLJFXNGJSXFXGU-HEHNFIMWSA-N 393.516 4.273 50 40 GIGB COC(=O)N/N=C/c1cn(CCOc2ccc(Cl)cc2C)c2ccccc12 5658878 HPWKZSVCKAXRSC-WSDLNYQXSA-N 385.851 4.372 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F 6566128 YFIQYXQUEKRCAT-XYOKQWHBSA-N 378.762 4.496 50 40 GIGB Cc1nc2cc(Cl)ccn2c1C(=O)N/N=C/c1ccccc1C(F)(F)F 59459520 NRLSDUSNWTWKNK-LSFURLLWSA-N 380.757 4.079 50 40 GIGB COc1ccc(P(=O)(C(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1 68602008 JEVHSCJMFYWSRF-UHFFFAOYSA-N 380.380 4.167 50 40 GIGB biogenic O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccccc1Cl 408586005 AGBVFCPTBSUWMX-UFFVCSGVSA-N 387.754 4.411 50 40 GIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1ccc2ccccc2c1 408598688 ILEOAFAVQGUDSF-RGVLZGJSSA-N 398.216 4.274 50 40 GIGB Cc1ccc(CSCC(=O)N/N=C/c2cc(Br)c(C)o2)cc1 408860979 JZEHVNBQUVKRBH-QGMBQPNBSA-N 381.295 4.042 50 40 GIGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)NC3CCCC3)o2)c1 409188582 DZDYGUCMKRAEQC-WJDWOHSUSA-N 378.428 4.007 50 40 GIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 6614560 MENVATLAKHWMBV-WSDLNYQXSA-N 381.819 4.322 50 40 GIGB Cc1cc(OC2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)nc(C)n1 390826451 LMRBDTVBWYRQFG-KRWDZBQOSA-N 395.594 4.177 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N)c2C)cc1Cl 408586497 CGPWVUUFTRRFLW-WYMPLXKRSA-N 380.879 4.402 50 40 GIGB Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 408899904 RSXYPISNDZESLB-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB CC(C)Oc1ccc(CCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 2362765 OAARVGYHRNVFIY-BUVRLJJBSA-N 376.456 4.416 50 40 GIGB COc1ccc(C/C(C)=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC 4680446 GUAOJHHWMKEFTO-LFVJCYFKSA-N 398.503 4.115 50 40 GIGB N#C/C(=C\c1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5017815 NZZQVFGWRXPMSJ-JLHYYAGUSA-N 384.416 4.069 50 40 GIGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1 5539332 ODYSMUBIVCGJDS-MFKUBSTISA-N 388.467 4.412 50 40 GIGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c1 5726812 CZYFQFVNQLTMHE-KXWSDFAKSA-N 380.488 4.255 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(OC)c1 6453965 VHJJUOOYCFMDRI-WSDLNYQXSA-N 384.819 4.381 50 40 GIGB CN(C(=O)CCl)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253499495 IMPPITSCOUNNJN-CHVLWZAPSA-N 381.988 4.456 50 40 GIGB biogenic COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Cl 408544910 YOKQNQADMDMOFD-XGICHPGQSA-N 391.210 4.246 50 40 GIGB COc1ccc(-c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)o2)cc1 644880 BWTBLDONTCRMSA-FQEVSTJZSA-N 390.439 4.406 50 40 GIGB CCOc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 1089176 XVOAXYBFDPWSIZ-BUVRLJJBSA-N 399.922 4.101 50 40 GIGB CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc(OC3CCCC3)cc1)C(C#N)=C(N)O2 4631771 PCJRMASSVHNXTB-KRWDZBQOSA-N 378.476 4.247 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(CCCCCC2)[C@@H]1c1ccccc1 35193589 ZGZJOPAXJHDUIP-REWPJTCUSA-N 375.472 4.244 50 40 GIGB C=CCOc1nc(SCc2ccccc2)nc2c1[C@@H](C(C)C)C(C#N)=C(N)O2 67257847 LOLVNFJMWYGLKP-INIZCTEOSA-N 394.500 4.160 50 40 GIGB CC(C)OC(=O)NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 98050251 AXLHPVJRSQLOMV-UHFFFAOYSA-O 378.432 4.073 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)cc1Cl 408735092 NTRZUCCBAQRMGJ-ACEGTKJHSA-N 397.906 4.258 50 40 GIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)c(OC)c1 408878832 CERLFJCXNJKOBM-VGOFMYFVSA-N 391.254 4.234 50 40 GIGB COc1cccc(CC(=O)N/N=C\c2cccn2-c2ccc(C)c(Cl)c2)c1 409008817 KKJMVBYTCSWFJE-UCQKPKSFSA-N 381.863 4.141 50 40 GIGB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/NC(=O)c1cccs1 2658693 BQZUSOLVZDVNQF-DJKKODMXSA-N 379.272 4.313 50 40 GIGB CCCCc1ccc(OCC(=O)N/N=C/c2ccccc2Br)cc1 3174654 VOQJJJSWSQKFGW-FYJGNVAPSA-N 389.293 4.321 50 40 GIGB COC(=O)N/N=C/c1c(C)n(CCOc2ccccc2Cl)c2ccccc12 4091876 XXQNRDKOLCIQJJ-LPYMAVHISA-N 385.851 4.372 50 40 GIGB C[C@@]12[C@H]3[C@@H]4C[C@H]5[C@@H]([C@@H]4[C@@H]1Br)[C@H]2C(Br)(Br)[C@@H]53 100883093 KEDQYEQDYKQXQJ-IRXOJPFJSA-N 396.948 4.014 50 40 GIGB COc1ccc([C@@H]2C(C#N)=C(O)Oc3c2c(C)nn3-c2ccccc2)cc1OC 408732194 PCVPMDVWOCCRNV-HXUWFJFHSA-N 389.411 4.015 50 40 GIGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 409069175 CFYIQRAVQXVIPJ-HMMYKYKNSA-N 386.451 4.371 50 40 GIGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1ccc(Br)cc1 409251040 ZPHGTGRRBGKHCU-ATVHPVEESA-N 399.288 4.358 50 40 GIGB C[C@@H](SCc1ccccc1)C(=O)NN=C1CCN(Cc2ccccc2)CC1 409348214 RSTJYDLYRDGKBG-GOSISDBHSA-N 381.545 4.077 50 40 GIGB Cc1onc(-c2c(Cl)cccc2Cl)c1/C=N/NC(=O)C(Cl)Cl 2576648 QIIJQSBWGBALAM-BLLMUTORSA-N 381.046 4.211 50 40 GIGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1O 5020846 VOXPSGYPELTTJQ-RMKNXTFCSA-N 378.171 4.153 50 40 GIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(C)c(Br)c2)cc1 20197529 VZNGPVHUBGNQHU-UDWIEESQSA-N 375.266 4.310 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 20786940 POOZIIMQQSYOOU-MDWZMJQESA-N 376.334 4.268 50 40 GIGB Cc1[nH]c2ccccc2c1CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 45317846 IJMYMGCDFHROEN-UHFFFAOYSA-N 392.337 4.089 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1sc2c(c1C#N)CCCC2 409207230 QSDRHFMPKDEPCG-MHWRWJLKSA-N 390.512 4.092 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2F)cc1 867548 OXWLRQZBWXKJEB-XYOKQWHBSA-N 375.197 4.142 50 40 GIGB O=C(Oc1ccccc1)[C@@H](Br)[C@@H](Br)c1ccccc1 1646483 ZAXQJVJMPQUZSW-KBPBESRZSA-N 384.067 4.492 50 40 GIGB O=c1c2ccccc2n2c(CCl)nnc2n1-c1cc(Cl)ccc1Cl 408712637 DEGAKDXPSVBZBD-UHFFFAOYSA-N 379.634 4.079 50 40 GIGB COc1cccc(/C=N/NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 5527408 GASRJLJBMYNLGK-DNTJNYDQSA-N 387.650 4.185 50 40 GIGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 5749449 TZYJCLMPBYJOKF-UHFFFAOYSA-N 378.042 4.375 50 40 GIGB Cc1[nH]nc2c1[C@H](c1cccc(OCc3ccccc3Cl)c1)C(C#N)=C(N)O2 5941208 UQUMCAOFQCOOAC-LJQANCHMSA-N 392.846 4.169 50 40 GIGB CCc1sc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1C 6834411 WWUDXIHJJXCOSK-UHFFFAOYSA-N 378.497 4.212 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(OC)cc(OC)c1 8339162 UQQGPRFFEGDTQK-BUVRLJJBSA-N 392.455 4.410 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2O[C@@H]1c1ccccc1 33533983 OJVRXXVGKYLXKB-CUBMKOOVSA-N 392.842 4.371 50 40 GIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)O)cc1 208350505 ZMWHEJAEMLMVFL-MLJKTZRHSA-N 384.819 4.046 50 40 GIGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1c(C)cccc1Cl 408922066 CYQDMXZVBVBQIB-RIYZIHGNSA-N 386.835 4.220 50 40 GIGB C#CCn1c(C)c(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc21 409365300 YICRHIWXTWWSML-LPYMAVHISA-N 394.272 4.109 50 40 GIGB N#CC1=C(N)S[C@@H](c2ccc(F)cc2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1Cl 4625809 ANSUFBDAESBCFC-IKGGRYGDSA-N 389.839 4.390 50 40 GIGB O=C(Cc1cccs1)N/N=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 30734331 PHCSLGGKTNQRJG-XKZIYDEJSA-N 398.871 4.314 50 40 GIGB Cc1ccc2nc(/C(C#N)=C/c3cc(Br)ccc3OCCO)[nH]c2c1 408719301 KVOATOANBIXFHM-NTEUORMPSA-N 398.260 4.069 50 40 GIGB O=C(NNC(=O)c1ccccc1Cl)Nc1cccc(C#Cc2ccccc2)c1 1665172278 HHQSNDPFAMYBCH-UHFFFAOYSA-N 389.842 4.206 50 40 GIGB COc1c(/C=N/NC(=O)c2cccc(Br)c2)sc2ccccc12 2286235 PZSPWWYLOQLLTG-VXLYETTFSA-N 389.274 4.436 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OC(C)C 4525135 RLZYXEBAEWSZPS-ZSOIEALJSA-N 386.835 4.387 50 40 GIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 5531406 USWBPSJQEQXJKW-UMYHVIPVSA-N 389.908 4.319 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(OC)c2)cc1 6489443 VLNFLLJIPCZRKE-UVTDQMKNSA-N 388.370 4.241 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)s2)c(OC)c1 6736146 OPIIJNZZGXIZIV-JXMROGBWSA-N 393.262 4.073 50 40 GIGB Nc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 6971845 GAQLSOXHOHBKJF-ZMOGYAJESA-N 379.847 4.265 50 40 GIGB CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3Cl)c21 36618840 FBNHNDMLESOTEQ-KRWDZBQOSA-N 392.846 4.347 50 40 GIGB CC/C(=N\NC(=O)c1ccc(COc2ccccc2)o1)c1cc(C)ccc1O 58165846 HDNGMQHZSIVSRU-FCDQGJHFSA-N 378.428 4.417 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(I)o2)c(C)c1 408761142 CGEXUWKYAAFANY-WQLSENKSSA-N 392.196 4.047 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccccc1F 408967904 SRADYOXJQRMPHU-BRJLIKDPSA-N 378.382 4.008 50 40 GIGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 408981395 BCJARBDGBYZFDM-GSPCDJLXSA-N 392.846 4.076 50 40 GIGB N#C/C(C(=O)Nc1ccccc1)=C1/C(=O)N(Cc2ccccc2)c2ccccc21 409115135 KKFJASHRXWZIGH-XDOYNYLZSA-N 379.419 4.149 50 40 GIGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)c2ccc3c(c2)OCO3)c2ccccc21 409366799 YMYJGOZFRJSGHN-LICLKQGHSA-N 388.423 4.306 50 40 GIGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(O)c(O)c2)cc1 1054792 DRIYCUQJOLHILA-ZMOGYAJESA-N 398.503 4.341 50 40 GIGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccccc1C(F)(F)F)Nc1ccccc12 2344783 PZDIUWIHHSXCFI-QGZVFWFLSA-N 379.345 4.164 50 40 GIGB CCC(C)(C)[C@H]1CCc2n[nH]c(C(=O)N/N=C/c3c[nH]c4ccccc34)c2C1 9013608 RDWUKWVUSWOXSG-MMTYYTLLSA-N 377.492 4.196 50 40 GIGB CCOc1ccc([C@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1 20237993 FVDKTSQPLUQKQF-LJQANCHMSA-N 397.544 4.433 50 40 GIGB CCc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2OC)cc1 408710758 IXCKIJAAYQYWBX-UDWIEESQSA-N 375.266 4.174 50 40 GIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)o1 408721864 ARCWRJYWRSRUEI-DNFLGLBLSA-N 397.431 4.140 50 40 GIGB COc1ccccc1NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl 409208734 CVZMLMGTVMYWAD-WDZFZDKYSA-N 392.198 4.456 50 40 GIGB CC[C@H](Nc1ccccc1OC)C(=O)N/N=C/c1ccc(Cl)cc1Cl 654498 PEUSRFFWQQLFAN-FPQGOQEYSA-N 380.275 4.343 50 40 GIGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 5130252 KWFZIJOZLWHSBI-OAHLLOKOSA-N 378.457 4.064 50 40 GIGB CCOc1cc(/C=C(/C#N)C(N)=O)ccc1OCc1ccc(Cl)c(Cl)c1 33410117 PEWYSOIQGJRHPP-AUWJEWJLSA-N 391.254 4.363 50 40 GIGB CCN(CC)c1ccc(C=NNC(=O)c2c(C)n(C)c3ccc(OC)cc23)cc1 252679847 SBFVCRKWNDYZNX-UHFFFAOYSA-N 392.503 4.105 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 1192114 NNMZQFQSXVQKEQ-WYMLVPIESA-N 389.367 4.409 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccn2-c2cccc(C(=O)O)c2)cc1C 4674125 ZKCPQJKESOFIIE-QGOAFFKASA-N 385.423 4.338 50 40 GIGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 5584342 GDNULMHLKZANGX-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 59515505 CTCDRIHLRCKZGH-UFFVCSGVSA-N 378.259 4.206 50 40 GIGB COc1ccc(/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)cc1OC 408581271 IDUFPIMYUSRKNV-AWNIVKPZSA-N 390.233 4.245 50 40 GIGB Cc1c(/C=C(/C#N)C(=O)NC(C)C)c2ccccc2n1Cc1ccccc1C#N 408770780 ALGROHMWISQSMN-NDENLUEZSA-N 382.467 4.301 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)NC(C)C)c(C)n1-c1ccc(Br)cc1 4711012 XBILBZQTOURXKD-MHWRWJLKSA-N 386.293 4.288 50 40 GIGB Cc1cccc(C)c1OCC(=O)NNC(=O)N(c1ccccc1)c1ccccc1 18192005 YDMPJBVTUKMGQH-UHFFFAOYSA-N 389.455 4.261 50 40 GIGB Cc1cc(Br)ccc1C(=O)[C@@H](Br)CBr 307748573 CEQLWHVKRFTBPU-VIFPVBQESA-N 384.893 4.099 50 40 GIGB COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408800156 NGYLUAZIPRJARE-XMHGGMMESA-N 379.504 4.061 50 40 GIGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 1026314 BDBYYKCXWXUWHH-GOSISDBHSA-N 380.810 4.191 50 40 GIGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OC(C)C 4526063 CTWCFYUSZSPQIC-WSDLNYQXSA-N 382.416 4.001 50 40 GIGB COc1cccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c1OC(C)C 4526071 WETHNELSPKHRTI-WSDLNYQXSA-N 382.416 4.001 50 40 GIGB C/C(=N\NC(=O)c1ccccc1Br)c1ccc(Br)cc1 5382022 KSIFKPUDUXNQQV-VCHYOVAHSA-N 396.082 4.366 50 40 GIGB C/C(=N/NC(=O)c1cccc(O)c1)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 5725182 DCVAOQHFRGPRIK-YJCBZZKFSA-N 399.450 4.198 50 40 GIGB CCCOc1cccc(/C=N/NC(=O)c2cc(Br)ccc2OC)c1 8812864 RQTDDKZFZCIYPI-UDWIEESQSA-N 391.265 4.010 50 40 GIGB COc1ccc(CCCC(=O)N/N=C/c2cccc(Br)c2)c(C)c1 408906368 ISYUNUWHILGGBN-FYJGNVAPSA-N 389.293 4.239 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCCC2)o1 409003220 YQEFIPVJOBXPLB-UDWIEESQSA-N 377.897 4.166 50 40 GIGB C[C@H](NC(=O)C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1 4409151 GPZFUKBRSPMGSM-GNYKCMPYSA-N 395.462 4.321 50 40 GIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1 4813979 ZUOFXXPFYWAAKC-PUPYPWIJSA-N 381.432 4.303 50 40 GIGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(Br)cc1 710848 RFKRLYWVJCJHSF-CNHKJKLMSA-N 388.048 4.225 50 40 GIGB O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1cc2ccccc2cc1O 3296759 NTOHZCNCLJMDCP-HCBMXOAHSA-N 380.272 4.005 50 40 GIGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cc2ccccc2cc1O 5605112 MEKZFRPTRMRNHL-ZVBGSRNCSA-N 375.211 4.322 50 40 GIGB Cc1ccc(OCCSC2=C(C#N)[C@H](c3ccc(C)cc3)CC(=O)N2)cc1 6477639 WRHQTQFXBJKHPP-IBGZPJMESA-N 378.497 4.454 50 40 GIGB CCn1c(C)c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21 9203217 GSOQXDLVQCIYMI-LPYMAVHISA-N 398.304 4.425 50 40 GIGB COc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC 9260186 DSFORAMNYMONHU-AWNIVKPZSA-N 389.205 4.439 50 40 GIGB O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1c(Cl)nc2sccn12 40161296 QQUARHKIXKIZNF-KEBDBYFISA-N 376.913 4.106 50 40 GIGB COC(=O)c1ccc(COc2ccc(C(=O)[C@@H](C)Br)cc2)cc1 94968068 RCGXVHHOENVQMY-GFCCVEGCSA-N 377.234 4.018 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 408922550 FDWLUTCKFAEHCE-IZZDOVSWSA-N 392.198 4.456 50 40 GIGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(OC)c2)cc1OC 409377086 GEYUNOZEEZFRPS-UMYHVIPVSA-N 390.867 4.298 50 40 GIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(CC)ccc2nc1Cl 872612 PQDSSUVRBVQVPH-SFHVURJKSA-N 397.862 4.095 50 40 GIGB COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 985280 CJSYUNISXWSYQL-SPLOXXLWSA-N 390.414 4.043 50 40 GIGB CCOC(=O)/C(C#N)=C\c1ccc(OCCOc2ccc(C)cc2)c(OCC)c1 4182150 TZHZTYABATVODW-RGEXLXHISA-N 395.455 4.322 50 40 GIGB CC[C@@H](C)n1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c2ccccc21 6938597 DDUUSQVFDKSKGT-CNPYVQQSSA-N 395.532 4.262 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc(Cl)cc(Cl)c2O)[C@H]2CCCC=C12 33371104 QYBDWRGNKJKQKH-BLLLJJGKSA-N 385.254 4.293 50 40 GIGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccs1 59419153 LUXBKMBWOOZQEN-GIJQJNRQSA-N 375.793 4.334 50 40 GIGB COC(=O)c1ccc(COc2ccc(C(=O)[C@H](C)Br)cc2)cc1 94968066 RCGXVHHOENVQMY-LBPRGKRZSA-N 377.234 4.018 50 40 GIGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1OC 3236844 CZGKKMQYRIUNLF-JLHYYAGUSA-N 387.233 4.012 50 40 GIGB O=C/C(=C/Nc1ccc(Cl)c(C(=O)O)c1)c1nc2cc(Cl)ccc2o1 5568075 VLCMJTURMMYLIA-CLFYSBASSA-N 377.183 4.485 50 40 GIGB C[C@H]1CCc2c(sc3nc(/C(C#N)=C/c4cccc([N+](=O)[O-])c4)[nH]c(=O)c23)C1 6314515 QMKSBYJFQHIPLY-ZWSXMNCCSA-N 392.440 4.082 50 40 GIGB CC(C)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 6616938 PXIUSJBMRGSTOI-OEAKJJBVSA-N 375.428 4.419 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)cc1 7164916 QLRALFXKJVMRTL-RVDMUPIBSA-N 399.244 4.171 50 40 GIGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(N2CCCC2)cc1 7384275 LDSIPNAMOVMVQW-SRZZPIQSSA-N 378.259 4.063 50 40 GIGB O=C(Cl)[C@@H]1CC(=O)N(c2cc(-c3nc4ccccc4o3)ccc2Cl)C1 45887440 OWBQNXXOEKDQNE-LLVKDONJSA-N 375.211 4.267 50 40 GIGB O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccc2ccccc2c1 408762992 DCQYFHLTBTTZOJ-BUVRLJJBSA-N 384.391 4.416 50 40 GIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Cl 408793948 GSWWIUIINJEGMP-MHWRWJLKSA-N 398.846 4.136 50 40 GIGB N#C/C(=C/c1c[nH]c2ccc(Br)cc12)C(=O)Nc1ccc(O)cc1 409377517 HQVYDWFUMYUBAQ-XFFZJAGNSA-N 382.217 4.182 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(CC)CC)cc2O)cc1 5736183 KGBRLUJBFKWFDN-LGMDPLHJSA-N 379.460 4.183 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OC(C)C)c(OC)c2)cc1 8082188 IHVRYGNVXADPBA-WSDLNYQXSA-N 390.867 4.298 50 40 GIGB Cc1ccc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1 20237959 PGQYFULEBYRDLT-LJQANCHMSA-N 375.497 4.210 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCC 169881323 DRKYAOSUBYJRNI-UDWIEESQSA-N 391.265 4.010 50 40 GIGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCC(=O)O 409049434 WVGPGBFEDDQTMJ-NTUHNPAUSA-N 397.818 4.143 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OC 409111242 BPBTULGUQYWCMC-SITPEIFSSA-N 384.501 4.199 50 40 GIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Cl)ccc1O 662784 VSNCGCZXGHYDAK-BERGCFNWSA-N 387.650 4.270 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccccc1C(F)(F)F 709574 STCKCFLWYDPOLS-OAHLLOKOSA-N 382.345 4.314 50 40 GIGB C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCC2CCCCC2)c(OC)c1 12374326 QTRVRVKMPNXJMM-RGEXLXHISA-N 396.487 4.170 50 40 GIGB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)CCCl)cc2)c1C 14405352 OHXDTVPBZACPQX-UHFFFAOYSA-N 376.888 4.120 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(C#N)cc3)c2)c(C)c1 20195091 ASGPFRIKWSUTFV-JVWAILMASA-N 397.478 4.447 50 40 GIGB COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OC 408691668 KYCFGDHKBSREKD-AUWJEWJLSA-N 398.260 4.423 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccccc1F 409126337 BGXWPOIHZFPNDA-OAQYLSRUSA-N 390.414 4.219 50 40 GIGB O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccc(F)c1 684903 NXDRUMFMMPZICR-UHFFFAOYSA-N 385.398 4.116 50 40 GIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1ccc(OC)cc1 977693 UEIFDMJWCCTPTF-OEAKJJBVSA-N 394.496 4.490 50 40 GIGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cccc(O)c1 1054181 IYXWOUKBWBIQHX-CIAFOILYSA-N 383.245 4.001 50 40 GIGB C=CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC 4454774 ICIPLNZXZUGRDP-FQEVSTJZSA-N 394.471 4.101 50 40 GIGB N#CC1=C(N)C2=CCCC[C@@H]2[C@@H](c2ccc(Br)cc2)C1(C#N)C#N 16034140 AJGNIXQAFVRBAW-WMLDXEAASA-N 379.261 4.043 50 40 GIGB Cc1cc(/C=N\NC(=O)c2cccnc2)c(C)n1-c1cccc(C(F)(F)F)c1 32109298 XELPMUBTCYCJMX-ROTLSHHCSA-N 386.377 4.272 50 40 GIGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc(Cl)ccc1Cl 55075744 IAQCDNHMENCAGX-UHFFFAOYSA-N 376.287 4.375 50 40 GIGB Cc1c(Br)c(/C=N/NC(=O)c2ccccn2)c(C)n1-c1ccccc1 59104332 XSYBTQWLURUZPW-WSDLNYQXSA-N 397.276 4.016 50 40 GIGB CN(C)c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1 409042497 XRHYVQCGDUCKLE-IWIPYMOSSA-N 384.439 4.325 50 40 GIGB Cc1ccc2nc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)cc(C)c2c1 871028 QJEIQMWQDOAWSC-YDZHTSKRSA-N 392.528 4.160 50 40 GIGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 20247914 KCSJZXKJFHSONM-XDHOZWIPSA-N 377.853 4.271 50 40 GIGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccc2c(c1)OCCO2 20859912 JDUMPTAHXUBQME-XYOKQWHBSA-N 375.211 4.310 50 40 GIGB CCCCOc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 59502241 BRAFTCGJTIXCNR-DEDYPNTBSA-N 375.266 4.392 50 40 GIGB CC(=O)O[C@H](C)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104097335 BXFGTMOAMJRXSD-HXUWFJFHSA-N 378.452 4.055 50 40 GIGB C#CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)Sc1nc2ccccc2[nH]1 408599427 URTMNPGWQZRDJA-RVDMUPIBSA-N 376.397 4.140 50 40 GIGB CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1 408760580 BDHCUPOPXGAPBP-MDWZMJQESA-N 375.211 4.464 50 40 GIGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(F)cc1 408995502 JSFNXDWVGAUEKU-WYMPLXKRSA-N 399.853 4.416 50 40 GIGB C/C(=N\NC(=O)CCc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 409123733 DLRJHPGVIACJST-NLRVBDNBSA-N 385.467 4.412 50 40 GIGB C/C(=N\NC(=O)c1ccccc1I)c1ccc(Cl)cc1 671826 VUCJYPIOQWDXRV-VCHYOVAHSA-N 398.631 4.099 50 40 GIGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1c(F)cccc1Cl)CO2 4871414 ANWCZVHSSOHEFB-MLZDUOQFSA-N 390.842 4.067 50 40 GIGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1O 5125847 PNKALLUVKOKYHZ-SDQBBNPISA-N 384.233 4.412 50 40 GIGB COc1ccc(OC)c(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c1 5726798 CZYFQFVNQLTMHE-NMGFGJDYSA-N 380.488 4.255 50 40 GIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)C(C)(C)C)c2C)cc1 8780236 MQHVEDCHSFOLSR-LDADJPATSA-N 394.471 4.168 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)cc1 58822950 DXWXWXWLEHSECI-WSDLNYQXSA-N 382.803 4.151 50 40 GIGB CCCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC 408776208 NHWHJBJHUFLOKZ-FMCGGJTJSA-N 380.366 4.267 50 40 GIGB O=C(CNC1CCCCC1)N/N=C/c1ccccc1OCc1cccc(Cl)c1 409385661 IWUQSMXIWYJNDM-AFUMVMLFSA-N 399.922 4.291 50 40 GIGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(Cl)cc1 1052291 FOJMSIQQLCKPBP-DJKKODMXSA-N 397.725 4.486 50 40 GIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1O)c1ccc(Cl)cc1 1507208 WIPJOGPUYAEUIE-YDZHTSKRSA-N 393.830 4.062 50 40 GIGB O=C(CCCCl)O/N=C1\C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 3064183 XNRNEPTVRQRCEK-PYCFMQQDSA-N 391.254 4.153 50 40 GIGB CCCCCCc1ccc(OCCOc2ccccc2/C=N/NC(N)=O)cc1 4600090 XJZQHOIKUJYOJE-JJIBRWJFSA-N 383.492 4.269 50 40 GIGB COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)C3CCCCC3)c2)cc1 5516909 HYDRYXWWFHLMBT-PCLIKHOPSA-N 393.487 4.368 50 40 GIGB CCOc1cc(C(=O)N/N=C(\C)c2ccc(C)s2)cc(OCC)c1OCC 6047727 ZARKIWUEGCEUFJ-KGENOOAVSA-N 390.505 4.407 50 40 GIGB N#Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3cccs3)c3ccccc32)cc1 7098687 JROOTIOWCNOGKF-AFUMVMLFSA-N 398.491 4.316 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)O)c3ccccc23)cc1Cl 15230994 VJQHXMSVOKBQQH-ZSOIEALJSA-N 393.830 4.233 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NC1CCCC1 54841929 XPCMBVFKWZLSAF-XFXZXTDPSA-N 385.807 4.474 50 40 GIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(I)cc2)o1 208831018 XGLITSYRQPXEKW-XFXZXTDPSA-N 393.180 4.021 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408568476 JOPKUYNSQGKETK-QPEQYQDCSA-N 381.794 4.440 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(F)cc3)c2C)cc1 408692262 IRHWQVVELQIQNT-DHRITJCHSA-N 378.451 4.104 50 40 GIGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1C1CCCC1 408772325 OEAVCJOCHVZAMU-XVZDUYNSSA-N 398.514 4.428 50 40 GIGB O=C(CSc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 408788817 HXCGYZLLVNPHGI-HZHRSRAPSA-N 390.464 4.148 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@H](O)c1ccccc1 1103961 FQCKJZHXEYDTIU-NMONLQQWSA-N 389.238 4.437 50 40 GIGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 4526141 KMXQSVZVMLJMCF-SSDVNMTOSA-N 382.803 4.022 50 40 GIGB COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N=C(O)C(C#N)=C3C)o2)ccc1Cl 5876469 MZPCPPAFHQKUBV-JYRVWZFOSA-N 396.786 4.107 50 40 GIGB COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2ccc(Br)s2)c1 6736052 AFUDQZYWJCEGRJ-JXMROGBWSA-N 393.262 4.073 50 40 GIGB C/C(=N\NC(=O)c1ccc(O)cc1)c1cccc(NC(=O)c2ccccc2C)c1 15934180 DBHPCUIDYNYCGR-PCLIKHOPSA-N 387.439 4.107 50 40 GIGB CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19818111 RMTCWOPWKFTMDI-VGSWGCGISA-N 385.423 4.480 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1OCc1ccccc1 408729373 ZFBNSTWXMOBMCB-OEAKJJBVSA-N 378.428 4.330 50 40 GIGB O=C(COc1ccccc1Cl)N/N=C\c1cccn1-c1ccc(Cl)cc1 408818059 MTGKHJLTMMZWKT-UUYOSTAYSA-N 388.254 4.313 50 40 GIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1c(C)cccc1C 1444656 UBQADHXCZCBAGC-ZVHZXABRSA-N 376.456 4.384 50 40 GIGB C[C@H](Br)C(=O)NP(=O)(Oc1ccccc1)Oc1ccccc1 2144637 KJDBOTROVWHYBM-LBPRGKRZSA-N 384.166 4.152 50 40 GIGB COc1cc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1O 4824524 RHTGRINADOGMHA-AUWJEWJLSA-N 379.397 4.497 50 40 GIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 5883897 JEUQMUUXMZDNLY-LJQANCHMSA-N 386.455 4.392 50 40 GIGB CC(=O)Nc1ccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)s1 10331251 FKRTVAPFIJLQEW-UHFFFAOYSA-N 379.485 4.054 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1 20764025 YEUGLRQPCVXEOP-WSDLNYQXSA-N 397.362 4.157 50 40 GIGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)Cc1cccc2ccccc12 100923068 RWVHNXCZEJBDCO-MFKUBSTISA-N 377.419 4.042 50 40 GIGB COc1ccc(N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 101192791 GUEBJGHCJCFBPE-UVTDQMKNSA-N 383.256 4.253 50 40 GIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1Cl 408570143 RYSCKCGMTKDGBL-RGVLZGJSSA-N 392.933 4.348 50 40 GIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc2cc(Cl)ccc2o1 409100338 UNXLAZCFARCFEF-UFWORHAWSA-N 378.171 4.412 50 40 GIGB Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2)cc1 409126647 MBFWTFKVFNDYBE-QFIPXVFZSA-N 386.451 4.389 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 1106555 LHNCIIZLXNNFQY-CVKSISIWSA-N 382.467 4.252 50 40 GIGB C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC 20764681 QNOJRMXMNNVHCK-LPYMAVHISA-N 388.851 4.076 50 40 GIGB Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)cc2)c(C)c1 216039966 QWSOIJHRDNSZIS-YUMHPJSZSA-N 397.478 4.447 50 40 GIGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1cccc(Br)c1 1254823 SQBZYLSRSHTIIL-INIZCTEOSA-N 378.229 4.215 50 40 GIGB COc1ccc(/C(Cl)=C(\C=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 1617222 JKJHXSSWNTZDGL-RGEXLXHISA-N 392.835 4.036 50 40 GIGB N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1cccc2ncccc12 3229371 WASADMQLYUVGBU-UKTHLTGXSA-N 394.228 4.249 50 40 GIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/C=C/c2cccc([N+](=O)[O-])c2)cc1 4778827 PIDBTBDHPYCPLC-QVHDBHSASA-N 381.432 4.303 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c(Cl)c1 4827536 JLKDMBBVYFSDFF-QGMBQPNBSA-N 396.628 4.083 50 40 GIGB COc1ccc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1OC 15894623 KQRFDUHGRRSGMR-IWIPYMOSSA-N 390.439 4.143 50 40 GIGB N#CC1=C(SCC(=O)c2ccc(Cl)cc2)NC(=O)[C@H](C#N)C12CCCCC2 17028776 XXDHXNIIDPPSRK-HNNXBMFYSA-N 399.903 4.211 50 40 GIGB CC1=C(C#N)C(=O)N(c2cccc(C)c2)C(=O)/C1=N/Nc1ccc(C)c(Cl)c1 100953080 PVZHIMQSHJSQOH-NCELDCMTSA-N 392.846 4.138 50 40 GIGB O=C1CCC/C(=N/NC(=O)c2ccc(COc3cccc4cccnc34)cc2)C1 101693259 KENRBKUHVAJBDQ-PLRJNAJWSA-N 387.439 4.043 50 40 GIGB Cc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)o2)n1 409143414 FBGVZWVVYXJGRJ-GZTJUZNOSA-N 390.468 4.061 50 40 GIGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)cc2)c1 409363542 MFYVVCWKIRNYCF-YUMHPJSZSA-N 397.478 4.447 50 40 GIGB Cc1ccccc1OCCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1 4670497 RALMYPWGSRBMBF-KOEQRZSOSA-N 389.455 4.002 50 40 GIGB C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)COc2ccc(C(=O)OCCC)cc2)C1 33565407 HJLIEVXATPTPMX-HBWVRPOVSA-N 384.476 4.037 50 40 GIGB O=C(CCCl)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 39761981 CWOBBMBIHRLWBR-UHFFFAOYSA-N 386.864 4.025 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N(C)C)o2)cc1C 59104108 LJFOXNNJQLQJTD-JYRVWZFOSA-N 388.265 4.271 50 40 GIGB COc1ccc2ccc(OC)c(/C=N/NC(=O)CNc3ccc(C)c(C)c3)c2c1 409008345 WFOXTQRDBMKFBP-DHRITJCHSA-N 391.471 4.036 50 40 GIGB CN1/C(=C\C=N\NC(=O)c2ccc(Br)cc2)C(C)(C)c2ccccc21 6367872 WIOIRVKMWJMCSU-MYECPZRPSA-N 398.304 4.476 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c1C 7609961 UOVZUFGVRFBVBB-FVIRYLMMSA-N 377.488 4.446 50 40 GIGB CC(=O)Nc1ccc(SCC(=O)/C(C#N)=C2\Sc3ccccc3N2C)cc1 8229625 SQORKFFTPDCXQB-SILNSSARSA-N 395.509 4.283 50 40 GIGB CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)c1c(-c2ccccc2)noc1C 17136169 RYMGHDZLJKVRMG-IKBJVLILSA-N 389.411 4.198 50 40 GIGB CCN1c2ccc(/C=N/NC(=O)c3ccccc3OC)cc2C(C)=CC1(C)C 208507528 MVHZJCHPESYQHY-BUVRLJJBSA-N 377.488 4.481 50 40 GIGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)o1 408676098 FGXYZCZTIVBFAD-PCLIKHOPSA-N 384.439 4.182 50 40 GIGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408799919 JIWDDIHQNHEYIQ-NTEUORMPSA-N 383.791 4.359 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1sc2c(c1C#N)CCCC2 409003021 YDHWOSSLMGDJGP-FSJBWODESA-N 392.484 4.263 50 40 GIGB Cc1scc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c1[N+](=O)[O-] 1085542 UXVOULLAVGKRMH-SRZZPIQSSA-N 395.440 4.308 50 40 GIGB CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccco2)sc2c1CCCC2 1454089 DGPACHOWYIOOFG-JLHYYAGUSA-N 384.457 4.331 50 40 GIGB COc1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1OCc1ccccc1 1476658 VTQLXQHLGGBKIG-YDZHTSKRSA-N 378.428 4.248 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1O 2292432 SHUBPSBZYRJHPR-QGOAFFKASA-N 392.455 4.464 50 40 GIGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@@H]1c1ccc(Cl)cc1Cl 5945447 ZKFYPROMVBEYPF-MRXNPFEDSA-N 385.206 4.318 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3N)o2)cc1Br 6332533 PXTKPGWINSCEGI-SSDVNMTOSA-N 398.260 4.364 50 40 GIGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1 6625604 IDKCSKOOGORPDN-RIYRZUHRSA-N 390.325 4.117 50 40 GIGB COc1ccc([C@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc1 6746292 IZHOEPDDBXPHCO-LJQANCHMSA-N 391.496 4.223 50 40 GIGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC)c(OC)c2)cc1 20197925 JCGNMUDCIKBHKV-LPYMAVHISA-N 390.867 4.300 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 58927326 YMKFNNHIUSPRST-ZVHZXABRSA-N 375.472 4.483 50 40 GIGB C[C@]12[C@H]3[C@@H]4C[C@H]5[C@@H]([C@@H]4[C@@H]1Br)[C@H]2C(Br)(Br)[C@@H]53 100883092 KEDQYEQDYKQXQJ-YZMMWJQWSA-N 396.948 4.014 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OC)c(OC)c2)cc1 207855926 SPWQLAYMFFYHGL-ZROIWOOFSA-N 386.835 4.302 50 40 GIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 408968513 ZXGKKGRYSUXFGH-CVKSISIWSA-N 398.466 4.415 50 40 GIGB Cc1cccc(COc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2)c1 409143902 OJOCEPJOKVYPHG-QFIPXVFZSA-N 386.451 4.389 50 40 GIGB CC(=O)Nc1ccc(-c2csc(NNC(=O)c3ccc(Cl)cc3)n2)cc1 708600 RGXZNEARZBXPQL-UHFFFAOYSA-N 386.864 4.179 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1 2305836 PQIKITBWMAODNS-CPNJWEJPSA-N 385.423 4.338 50 40 GIGB CCC[C@](O)(C(=O)NN(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 4852199 MOKOLJWYRCHYOV-XMMPIXPASA-N 388.467 4.053 50 40 GIGB C#CCOc1ccc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 16136157 CCHAYOAXLTWTEY-GXDHUFHOSA-N 378.229 4.402 50 40 GIGB CC[C@H](C)n1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21 35107847 GKTOODBFEWEZKG-PXNCGERRSA-N 378.432 4.213 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(C(=O)O)c2)c1C 101519726 JWVAIRCYLUKEBP-AQTBWJFISA-N 385.423 4.338 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)o1 408722334 HIVSWFYIVRKKEL-KHLKKOTKSA-N 381.432 4.440 50 40 GIGB COc1cccc2cc(C(=O)N/N=C/c3ccc(N4CCCC4)cc3C)oc12 408960865 OYWYBPPYDXGXMS-OEAKJJBVSA-N 377.444 4.114 50 40 GIGB CCCOc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 27329335 UNTGFPMYGXNKLY-LAUBAEHRSA-N 388.471 4.078 50 40 GIGB O=C(NNc1ccccc1C(F)(F)F)c1ccc(OCc2cccnc2)cc1 40070148 GCGYWVHHQSZUSM-UHFFFAOYSA-N 387.361 4.436 50 40 GIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1Br 58915922 LUASNIPERNRNLM-OTGIAGGSSA-N 377.307 4.221 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CC[C@@H](O)c3ccccc3)c2C)c1 83311280 XMODERFZYYLHHM-DZQSVEARSA-N 389.499 4.366 50 40 GIGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 104798600 ZRUFNWWWUNNOER-SSZFMOIBSA-N 399.495 4.007 50 40 GIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OC 206244814 FNDAXPQDOFPXJE-JXAWBTAJSA-N 393.487 4.486 50 40 GIGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(C(N)=O)cc1 408568902 LKDAODNGZAJPIU-YVLHZVERSA-N 399.429 4.273 50 40 GIGB C/C(=N\NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1)c1cccnc1 408957799 WBQVAGFWXSZSPH-NLRVBDNBSA-N 387.483 4.327 50 40 GIGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(C(C)C)cc1)c1ccccc1 408976650 BMXCZIXQOLKVQO-VRMLFSPKSA-N 381.476 4.138 50 40 GIGB O=C(NNC(=O)c1oc2ccccc2c1COc1ccccc1)c1ccccc1 2654489 DJQCBURLHPFOOF-UHFFFAOYSA-N 386.407 4.087 50 40 GIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(C(F)(F)F)c1 4513253 SDBZDYHFTFAEFT-ZVBGSRNCSA-N 379.363 4.089 50 40 GIGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3F)c2C)cc1 6935045 ZGZUFFJXRXGGNR-ZVHZXABRSA-N 379.435 4.396 50 40 GIGB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNc2nc(C)cc(C)n2)cc1 9112725 XTLHRDXUFAQOFZ-UHFFFAOYSA-N 398.470 4.011 50 40 GIGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)CC(=O)N1 9363589 JQIRBGKMDLLFJU-KRWDZBQOSA-N 386.517 4.225 50 40 GIGB COc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@H]3c2ccccc2)cc1 15973972 XFORXOIKHRUJKY-HEMYWOPUSA-N 397.434 4.370 50 40 GIGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccccc1Cl 59248664 LOBLEMKOFGGIRQ-VXLYETTFSA-N 396.672 4.060 50 40 GIGB O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(=O)c1cccs1 409000309 VHEAVZRMUUVNGY-IBGZPJMESA-N 391.496 4.222 50 40 GIGB Cc1cc(-c2n[nH]c3c2[C@@H](c2cc(F)ccc2F)C(C#N)=C(N)O3)c(C)s1 5130035 DSSOJESHWBYVSB-HNNXBMFYSA-N 384.411 4.251 50 40 GIGB CCC(C)(C)[C@@H]1CCc2n[nH]c(C(=O)N/N=C/c3c[nH]c4ccccc34)c2C1 9013607 RDWUKWVUSWOXSG-GMJSKMFWSA-N 377.492 4.196 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccccc1 58536711 PHBDDITVNYSQNW-UYRXBGFRSA-N 376.456 4.240 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc(OCC)c1O 59302992 YXWXDCQNZXVKCA-PDGQHHTCSA-N 392.455 4.464 50 40 GIGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)[C@@H](O)c1ccccc1 59417713 LGMYYAXHSYGGDS-GQBLCDNYSA-N 394.858 4.103 50 40 GIGB ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]([C@@H]4O[C@@H]4[C@@H]3Cl)[C@@]1(Cl)C2(Cl)Cl 254047524 ZXFXBSWRVIQKOD-PWCXAANMSA-N 389.320 4.453 50 40 GIGB in-vitro CCc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3cccc(OC)c3)c2C)cc1 408759052 WZSKIXQBIZROAR-XYGWBWBKSA-N 389.499 4.358 50 40 GIGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCCc1ccccc1 408813124 FFMSZGWIHQMRTI-HEHNFIMWSA-N 380.447 4.118 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 408997659 SFZLZZDMMJEDNM-RGVLZGJSSA-N 386.249 4.214 50 40 GIGB C[C@H](NC(=O)Oc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1 408999495 DAWMTZHOWBWOJP-KRWDZBQOSA-N 375.428 4.033 50 40 GIGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2C)o1 409161001 SDCKGHANSWNNOS-WSDLNYQXSA-N 393.399 4.001 50 40 GIGB CCCCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc21 409387736 JQLJVKUVIIPDJM-HTXNQAPBSA-N 379.847 4.403 50 40 GIGB Cc1c(/C=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1 2349764 PYQUEBLKEXVNFR-NHVVDLMHSA-N 397.478 4.182 50 40 GIGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1 4565651 XEQSQFUWXBVNBA-IBGZPJMESA-N 386.455 4.474 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)cc3C)o2)c1 20194337 UPKIQNVYZWGNNR-ZVHZXABRSA-N 390.439 4.043 50 40 GIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 408530156 LJCPRGZPUVWOPG-FSJBWODESA-N 392.415 4.034 50 40 GIGB COc1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3[C@@H]4CCCC[C@]43C)o2)c([N+](=O)[O-])c1 408718780 IIXBOOKEPNZPRD-IKQMHEQDSA-N 397.431 4.140 50 40 GIGB O=C(N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1)c1ccc(Cl)cc1 408887323 PMDSOCMOZJEQJT-ZMOGYAJESA-N 396.805 4.462 50 40 GIGB Cc1cccc(OCC(=O)N/N=C/C(Br)=C/c2ccccc2)c1C 3136573 XLSQPEUUVXNBFT-NHJUXKLCSA-N 387.277 4.220 50 40 GIGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1F 408819054 ZSPYLSQLEGTQNG-GXDHUFHOSA-N 399.219 4.146 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 408915105 UTCAFHPCIUOJNW-ZMOGYAJESA-N 389.455 4.173 50 40 GIGB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(SC#N)c1O 409050741 ZDRDPBDMEQSCPX-UHFFFAOYSA-N 397.452 4.102 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OC(C)C)c(OC)c3)cc2c1 409187292 ONNNKKNMEHMVKM-QRVIBDJDSA-N 396.443 4.391 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OC(C)C 409221979 AIOIPFOFOAQYDK-ZHZULCJRSA-N 378.472 4.138 50 40 GIGB Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c2ccccc21 1211622 GXSHIERNBIPCKB-UKTHLTGXSA-N 380.245 4.486 50 40 GIGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6899349 QFACHQJBHDQMTE-KYWOULDRSA-N 379.416 4.457 50 40 GIGB O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(CSc2ccccc2)cc1 59473592 WLVMXCJIZUOIGP-UHFFFAOYSA-N 387.464 4.065 50 40 GIGB COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(NC(C)=O)cc1 96663197 NGWRULWSNZQBQO-DHDCSXOGSA-N 383.835 4.161 50 40 GIGB Cc1cc(C(=O)NNc2ccccc2C(F)(F)F)c(C)n1-c1nccs1 97285965 DQNQBTIWJRZIJK-UHFFFAOYSA-N 380.395 4.326 50 40 GIGB COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 408806567 FJRMWQJIHHGFJB-WOJGMQOQSA-N 385.895 4.116 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OCC 408819996 SMKXJYHNACMYQJ-XNTDXEJSSA-N 398.821 4.435 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC 408871929 ZRCHEHDNXMGIQC-GZTJUZNOSA-N 394.858 4.469 50 40 GIGB C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)Cc1ccccc1 13133543 KTSPOQZKNUOQKR-WSDLNYQXSA-N 378.259 4.057 50 40 GIGB C/C(=N/NC(=O)CSCc1ccccc1Br)c1ccc(F)cc1 17080758 VWYIFHWRLFQTLX-NDENLUEZSA-N 395.297 4.362 50 40 GIGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(O)c1 409023272 WKYMBXQVUXRUMC-UUYOSTAYSA-N 385.851 4.402 50 40 GIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1O 6476090 XBSAEDJDZGAZEG-LPYMAVHISA-N 388.452 4.070 50 40 GIGB C[C@H](Cl)C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 9062166 HJYSLWHMNQCCNZ-NSHDSACASA-N 386.864 4.023 50 40 GIGB CCCCCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 30743132 UQIULWJXOORALM-KQWNVCNZSA-N 376.460 4.410 50 40 GIGB CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C([C@@H](C)CC(C)(C)C2)[C@H]1c1ccccc1 35193560 VZDYFOCXVQNZFM-PFTWBPNJSA-N 389.499 4.346 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2C(F)(F)F)cc1 213127713 XOCKFMHZLXWMPX-PTNGSMBKSA-N 388.345 4.428 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1Cl 408999680 VLXGOQULKVQJBJ-WSDLNYQXSA-N 382.803 4.151 50 40 GIGB Cc1ccc([C@H]2C(C#N)=C(N)O[C@H]3[C@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1 5546275 OYBRLNLLOLUPME-QKLQHJQFSA-N 398.388 4.184 50 40 GIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 6480617 YSMKIMJAKLVKCI-YFHOEESVSA-N 391.177 4.087 50 40 GIGB C/C(=N\NC(=O)CC#N)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58917255 SAAPABQNEAUPGV-AYBSFTJQSA-N 388.446 4.406 50 40 GIGB Cc1nc(P(=O)(c2ccccc2)c2ccccc2)c(NCc2ccccc2)o1 108604439 YZDXJSOSXVWXHY-UHFFFAOYSA-N 388.407 4.235 50 40 GIGB C=CCc1cc(/C=N\NC(=O)Nc2ccccc2OCC)cc(OCC)c1O 408854264 BDHJIBFZCGGHNM-HMAPJEAMSA-N 383.448 4.074 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N4CCCCC4)o3)cc2c1 409186860 IUALROUNIBVVJM-HMAPJEAMSA-N 381.432 4.179 50 40 GIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(Cl)s1 664240 GUPQZTILNQCEQJ-HNNXBMFYSA-N 386.860 4.184 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 5720432 RHFOEFUCWPAXJV-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)cc1OC 20243989 XTWRSEJSTXGUEZ-HZHRSRAPSA-N 376.412 4.260 50 40 GIGB O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)CCl)OCc1ccccc1 78638660 BMGGQIBPEMUTCE-HXUWFJFHSA-N 381.859 4.485 50 40 GIGB C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)CCc1ccccc1 100929970 WFROEZZTAUJMEM-YDZHTSKRSA-N 392.286 4.447 50 40 GIGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C\c2ccc(N3CCCC3)cc2)c1 408845937 NSQSSIIRZKEOON-UQQQWYQISA-N 386.499 4.458 50 40 GIGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 409227701 VBDBSGNLXRMENG-CIAFOILYSA-N 383.791 4.201 50 40 GIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 1434854 WAYAOEYVXONUHW-YDZHTSKRSA-N 393.374 4.077 50 40 GIGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccccc1O 1445279 CEMFRSSHXBINOF-CIAFOILYSA-N 383.245 4.001 50 40 GIGB O=C(c1ccc(Cl)cc1)[C@@H](Br)[C@H](C[N+](=O)[O-])c1ccccc1 1687168 KEDVRSOJQOCNAM-CABCVRRESA-N 382.641 4.347 50 40 GIGB N#C[C@@H](c1ccccc1)N(CCCCl)C(=O)c1ccc(Br)o1 1783487 LETNTUFTYCQWBH-ZDUSSCGKSA-N 381.657 4.378 50 40 GIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 6410810 IQKGUWWJUOGQDT-FOWTUZBSSA-N 380.831 4.296 50 40 GIGB COc1ccc([C@@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc1 6746295 IZHOEPDDBXPHCO-IBGZPJMESA-N 391.496 4.223 50 40 GIGB CCn1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21 9203207 DTJDGCICIIDHPX-CIAFOILYSA-N 384.277 4.117 50 40 GIGB C[C@H](Sc1nccn1-c1ccccc1)C(=O)C(C#N)=C1Nc2ccccc2N1 32801729 JPXHWQSNQGFQLT-AWEZNQCLSA-N 387.468 4.195 50 40 GIGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1ccc(I)cc1 409373304 TYXPKOLUENSUDQ-JYRVWZFOSA-N 376.153 4.264 50 40 GIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Cl)cc1 704824 WMRHTIZEAZQGKH-YDZHTSKRSA-N 382.847 4.421 50 40 GIGB N#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@H]1c1ccccc1C(F)(F)F 1070292 SJANKEBHKFOVHV-HNNXBMFYSA-N 384.313 4.030 50 40 GIGB CO/C=C/[C@@H]1[C@@H](c2ccccc2)C(C#N)=C(c2ccccc2)OC1(OC)OC 4568193 DAEDNFRBFGAXAQ-RMLDSDBCSA-N 377.440 4.458 50 40 GIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 4739487 VWFMXCJHLRBVEF-FSJBWODESA-N 392.415 4.034 50 40 GIGB C/C(NCCc1ccc(Cl)cc1Cl)=C(\C#N)C(=O)NC1CCCCC1 4813179 AUJUEJPXBPQFNO-LGMDPLHJSA-N 380.319 4.372 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccccc1Cl 5661220 BZGJWTBIVQBIOQ-ZMOGYAJESA-N 395.846 4.087 50 40 GIGB C=CCOc1ccccc1/C=C(\C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 7001156 DNEULOZXOPLBGZ-NTCAYCPXSA-N 389.480 4.492 50 40 GIGB Cc1cc(Br)ccc1N1C=C(C#N)S(=O)(=O)c2ccccc21 38488015 KNWXNYAJWSHAGK-UHFFFAOYSA-N 375.247 4.048 50 40 GIGB COc1ccc(CNC(=O)C(=O)NN=C2CCCCCCCCCCC2)cc1 59515689 LNYJDOPBYHWHHP-UHFFFAOYSA-N 387.524 4.088 50 40 GIGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3ccccc3O)cc21 208464145 FMSXEJFWWOVFTN-FMCGGJTJSA-N 383.879 4.441 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)SCCS3)c2C)cc1 408591200 RYQHEFJDOJVELH-FYJGNVAPSA-N 387.574 4.439 50 40 GIGB CN(C)c1ccc(/C=C(/C#N)Cn2cnc3ccccc32)cc1Br 408691811 RGNCJVUXIJGIJE-DHDCSXOGSA-N 381.277 4.472 50 40 GIGB Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccco2)cc1 409226907 WNSZXMAJFHUCIF-UUYOSTAYSA-N 382.803 4.225 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 726780 XAOFBHJKZWKKGR-MFKUBSTISA-N 383.451 4.462 50 40 GIGB CC(C)(C)c1[nH]nc2c1[C@H](c1ccc(OC3CCCC3)cc1)C(C#N)=C(N)O2 4631772 PCJRMASSVHNXTB-QGZVFWFLSA-N 378.476 4.247 50 40 GIGB CC[C@@H]1CCc2sc(C(=O)N/N=C/c3c(C)nc4scc(C)n34)cc2C1 8046423 GOPWFJKDCMJWPN-PCQWDSEFSA-N 386.546 4.353 50 40 GIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 9357301 XUPGOZWSGAMIRY-KRWDZBQOSA-N 392.846 4.347 50 40 GIGB C#CCn1c(C)c(/C=N/NC(=O)c2ccccc2Br)c2ccccc21 20760330 GGIRCOHLWMABJH-LPYMAVHISA-N 394.272 4.109 50 40 GIGB COc1ccc(OC)c(/C=C(/C#N)c2ccc(I)cc2)c1 409369159 FZRSUZLPMNDFBN-ZROIWOOFSA-N 391.208 4.373 50 40 GIGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl 999309 NBEWKQPNOZURRG-OAHLLOKOSA-N 384.222 4.053 50 40 GIGB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)O2 2323068 IDWDEWQSXNTNAC-GOSISDBHSA-N 396.372 4.418 50 40 GIGB Cc1ccc([C@@]2(C(F)(F)F)NC(=O)C(C#N)=C3Sc4ccccc4N32)cc1 3277600 SHZDZFPCRMJZBZ-GOSISDBHSA-N 387.386 4.187 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 5494638 XDGLGWBDRZEXFC-JVWAILMASA-N 396.450 4.459 50 40 GIGB Cc1sc2nc(/C(C#N)=C/c3ccc(Br)s3)[nH]c(=O)c2c1C 6509944 MBFGIWAUZDINFY-WEVVVXLNSA-N 392.303 4.490 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCC#N 7210510 NYRQCCIQWWGUFG-OQLLNIDSSA-N 381.819 4.105 50 40 GIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 9244000 KHNHTLDRWYFLRB-KRWDZBQOSA-N 392.846 4.347 50 40 GIGB O=C(NN=C1CCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20247200 BVRLTGDJJCMBCT-JOCHJYFZSA-N 393.512 4.121 50 40 GIGB Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)o1 27833646 IIHMLDIONIAZNE-UFFVCSGVSA-N 399.790 4.286 50 40 GIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)c1C 28217455 GORKYRQSFBIWDX-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB Cc1occc1C(=O)NNC(=O)c1ccc(/C=C/c2ccc3ccccc3n2)cc1 40156643 KCHXGNQVUBSAFO-XYOKQWHBSA-N 397.434 4.381 50 40 GIGB c1ccc(NNCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 104106175 KUWREOMPOQKKAY-UHFFFAOYSA-N 398.490 4.330 50 40 GIGB CC(C)COc1ccccc1/C=N/NC(=O)c1ccc(Br)cc1 408601416 JSKNRJWSEVASOU-RGVLZGJSSA-N 375.266 4.248 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC#N 408745869 VZOBWAJCMXXKII-DHDCSXOGSA-N 381.819 4.105 50 40 GIGB N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 408784351 RVNPEBQMVRUZLP-XFFZJAGNSA-N 377.625 4.354 50 40 GIGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1OC(C)C 409383314 UFVVBAZVUVMQEC-ODLFYWEKSA-N 381.476 4.357 50 40 GIGB COc1ccc2nc(/C(C#N)=C\c3ccc(N(C)C)c(Br)c3)[nH]c2c1 409392653 RATMVXZHODYDAM-JYRVWZFOSA-N 397.276 4.464 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(O)c1 409393521 YAVYWTMHJTWOLD-SSDVNMTOSA-N 384.819 4.387 50 40 GIGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2ccccc2)c(OCC)c1 957971 FTQJWSJIHVWXSG-XMHGGMMESA-N 393.439 4.094 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 3140587 SQMFUSRGQPAVCZ-LFVJCYFKSA-N 381.520 4.359 50 40 GIGB Cc1ccc(OCC(=O)N/N=C/C=C/c2ccc(Br)cc2)cc1C 5746986 BSEAWIMEJIUFCQ-QJRDPUHFSA-N 387.277 4.260 50 40 GIGB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC(C=O)=C2Cl 9943126 FRLIZKQNEBOSLQ-UHFFFAOYSA-N 389.860 4.272 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1O 408752282 HIMVCROVYBVYSN-SRZZPIQSSA-N 399.244 4.080 50 40 GIGB COCCCNC(=O)/C(C#N)=C/c1cn(Cc2cccc(C)c2)c2ccccc12 408794664 ANVUGHQYESMGAO-XSFVSMFZSA-N 387.483 4.058 50 40 GIGB COc1ccc(Cl)cc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 408951139 LQWXANDAYPKZBX-YBEGLDIGSA-N 379.847 4.096 50 40 GIGB O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1cccc(C(F)(F)F)c1 3242237 WIJRURZUNGCCHL-UHFFFAOYSA-N 389.333 4.031 50 40 GIGB CCOc1ccc([C@H]2CC(=O)NC(SCCOc3ccccc3)=C2C#N)cc1 6355287 YGEOHZPBPISSEX-LJQANCHMSA-N 394.496 4.236 50 40 GIGB CCOC(=O)/C(C#N)=C\c1ccc(OC)c(COc2cccc3cccnc23)c1 55053927 XNGFGZPOYCYXAU-PDGQHHTCSA-N 388.423 4.292 50 40 GIGB O=C(OC(=O)c1cccc(Br)c1)c1cccc(Br)c1 85855367 DZJZPASJHDOOQA-UHFFFAOYSA-N 384.023 4.209 50 40 GIGB NNC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 226322096 UJLHEUUMBXEQBD-UHFFFAOYSA-N 380.058 4.483 50 40 GIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 33648057 NNYOUMPNNFJEQD-JYRVWZFOSA-N 386.205 4.211 50 40 GIGB C=CCc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(OCC)c1O 59250254 YYBWTGXINROYCT-PCLIKHOPSA-N 388.467 4.365 50 40 GIGB C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)c2C(N)=O)C1 952684 YYGLBZNOIAWVRJ-VSXLWIIGSA-N 399.903 4.171 50 40 GIGB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2 1057546 RHQLMTRUYXFRQJ-OAQYLSRUSA-N 386.455 4.186 50 40 GIGB CC(C)O[C@@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br 1615195 KBAJNAKXIYPNNE-ISVAXAHUSA-N 380.076 4.427 50 40 GIGB CC(C)COc1ccc(C(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)cc1 2755445 GOKGFQOOQKGTTC-AUEPDCJTSA-N 398.846 4.245 50 40 GIGB NNC(=O)c1cc(-c2cccc3ccccc23)nc2ccc(Br)cc12 5777429 ZOLHQWXXRYMEEU-UHFFFAOYSA-N 392.256 4.421 50 40 GIGB COc1ccc2[nH]c(C(=O)N/N=C(\C)c3ccc(Br)cc3)cc2c1 9614565 FTCNPTFSQYTDNK-SRZZPIQSSA-N 386.249 4.093 50 40 GIGB CN1/C(=C(\C#N)C(=O)c2ccccc2NCC(=O)C(C)(C)C)Nc2ccccc21 12536981 QJZQAQSJBNXPRB-CJLVFECKSA-N 388.471 4.193 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1O 408804887 ZVKQLTGTOXACKM-UOEVCUDDSA-N 376.456 4.304 50 40 GIGB C[C@H](NC(=O)OCc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1 408998578 MHZFFRGNSUVURX-SFHVURJKSA-N 389.455 4.171 50 40 GIGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1Cl 999308 NBEWKQPNOZURRG-HNNXBMFYSA-N 384.222 4.053 50 40 GIGB O=C(N/N=C/c1ccc(OCCOc2ccccc2)cc1)Nc1ccccc1 4196542 HLXUPHYRLZBCGY-HAVVHWLPSA-N 375.428 4.300 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)[C@H]3[C@@H]4CCCC[C@@]43C)o2)c([N+](=O)[O-])c1 4524188 IIXBOOKEPNZPRD-VBPKSARUSA-N 397.431 4.140 50 40 GIGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2F)c(F)c1 4689980 WENXSQUGSMDONA-LGJNPRDNSA-N 391.377 4.179 50 40 GIGB CC[C@@H](C)Oc1c(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cccc1OC 13939785 LIOBICBGSPMGKS-UHVIJJLKSA-N 380.444 4.427 50 40 GIGB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)CCCl)c2)c1C 14405500 ZBGSRPSHVWCBHS-UHFFFAOYSA-N 376.888 4.120 50 40 GIGB N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)N1CCOCC1 408756493 VSIHKBVIBRPHNN-PXLXIMEGSA-N 398.462 4.185 50 40 GIGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCC#N 2161484 YZKWYOLOXGHIHI-AFUMVMLFSA-N 399.406 4.261 50 40 GIGB COc1ccc(C(CBr)c2ccc(OC)c(OC)c2)cc1OC 4578495 IVNMGXQDCPLZGE-UHFFFAOYSA-N 381.266 4.248 50 40 GIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC(C)C)c3ccccc23)c1 33785528 HREYJYAHWQQNRJ-ZVHZXABRSA-N 392.455 4.408 50 40 GIGB COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1cccc(Cl)c1Cl 100289130 HABAYMCEVBAIEF-SSDVNMTOSA-N 394.258 4.137 50 40 GIGB O=C(N/N=C/c1ccc(Br)cc1)C12[C@H]3CCC[C@H]1C32c1ccccc1 100955367 WQJQCBODITURGQ-YAWPBWOQSA-N 395.300 4.267 50 40 GIGB N#C/C(=C/c1cc(Cl)cc(Br)c1O)C(=O)Nc1ccccc1F 408815771 UYKVLPOOIBAZIR-YHYXMXQVSA-N 395.615 4.493 50 40 GIGB Cc1ccc(SCCC(=O)N/N=C/c2cc(Br)c(C)o2)cc1 409134851 PSQMIXHYVCGRSC-VCHYOVAHSA-N 381.295 4.291 50 40 GIGB N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1 409192342 AZKSNCJESZIPQN-AQTBWJFISA-N 391.427 4.140 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc2noc(-c3ccccc3)c2c1 3407975 WONHGSGEPMWTRU-FQEVSTJZSA-N 383.407 4.310 50 40 GIGB Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 6479168 RLGHCVRIQYUFEQ-KRWDZBQOSA-N 391.496 4.014 50 40 GIGB CC1=C(C#N)C(c2cc(Br)ccc2OC(F)F)C(C#N)=C(C)N1 25328969 VRZCCBMCKLSWAL-UHFFFAOYSA-N 380.192 4.332 50 40 GIGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1 409359265 AYRXWBVLSWDVCA-YDZHTSKRSA-N 391.427 4.473 50 40 GIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C)s2)C(C#N)=C(N)O3)cc1 4453083 CUZGRPYLPTXJLG-MRXNPFEDSA-N 378.457 4.064 50 40 GIGB C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)c2ccccc2I)C1 12403938 XPBCAPUPOVQBTA-KMJMQOOCSA-N 394.256 4.309 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(C)C 26123522 MSPBOCFWUYMOAM-RGVLZGJSSA-N 391.265 4.009 50 40 GIGB CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1O 59473174 RNARFVDYHXZSGM-ZICWZVMQSA-N 378.881 4.075 50 40 GIGB N#C/C(=C\c1cc2c(cc1Br)OCO2)c1nc2ccc(F)cc2[nH]1 408567662 PFNBFQDWZQARDM-XCVCLJGOSA-N 386.180 4.257 50 40 GIGB CCOc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2OC)cc1 408710925 XDEWLERFWMZBCR-UDWIEESQSA-N 391.265 4.010 50 40 GIGB Cc1cccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c1 408761038 GTOFAKALZSUJFD-NTEUORMPSA-N 388.208 4.145 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 408897367 RSLPLBJCRGZMKK-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408967340 VBRUDJFIBXPBMR-CIAFOILYSA-N 375.340 4.365 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)c(C)c1 409114445 JPURZFPXZNCWMZ-GHRIWEEISA-N 392.455 4.398 50 40 GIGB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccccn1 937085 UGPUCQZGASOJCS-AWQFTUOYSA-N 388.905 4.101 50 40 GIGB CCSC1=C(C#N)[C@H](c2ccc(OC)c(OCc3ccccc3)c2)CC(=O)N1 1102317 QWHDBCXTGACVIJ-KRWDZBQOSA-N 394.496 4.366 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Br 5745034 KNFCVHACNXCOKW-XYOKQWHBSA-N 375.197 4.142 50 40 GIGB O=C(NNC(=O)c1ccccc1-c1ccccc1)c1ccccc1Br 17358488 YRHNDOGHVRRMIK-UHFFFAOYSA-N 395.256 4.191 50 40 GIGB O=C(N/N=C/c1cccs1)c1ccc(CN2CCc3ccccc3C2)cc1 20076138 LFYKECBAKSVWLR-OEAKJJBVSA-N 375.497 4.070 50 40 GIGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccccc2Br)o1 20760204 IHFPREJTSHCKBI-WSDLNYQXSA-N 394.228 4.345 50 40 GIGB N#C/C(=C\c1c(Cl)nc2sccn12)S(=O)(=O)c1ccc(Cl)cc1 23164712 CVMFZJIGTSIIBN-YRNVUSSQSA-N 384.269 4.041 50 40 GIGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc2c(c1)OCO2 59421104 TVTMPESTWDDOJF-DHRITJCHSA-N 397.434 4.182 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(OC)c1 1211547 JIDYKCNRHURPLR-MDWZMJQESA-N 387.233 4.012 50 40 GIGB COc1ccc(C(=NNC(=O)c2cc3ccccc3[nH]2)c2ccc(OC)cc2)cc1 4672950 LNOFSUVZWVIZPD-UHFFFAOYSA-N 399.450 4.368 50 40 GIGB O=C(NNC(=O)C1CCC1)c1ccc(CSc2nc3ccccc3s2)cc1 8270817 ZCDGRVUROOCOPS-UHFFFAOYSA-N 397.525 4.150 50 40 GIGB O=C(COc1ccccc1)N/N=C\c1ccc(OCc2ccccc2Cl)cc1 33768860 IWBAXXNPJXFKBY-OYKKKHCWSA-N 394.858 4.448 50 40 GIGB CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C([C@@H](C)CC(C)(C)C2)[C@@H]1c1ccccc1 35193563 VZDYFOCXVQNZFM-IJHUGTEESA-N 389.499 4.346 50 40 GIGB FC(F)(F)Oc1ccc(CBr)cc1I 98199139 WTWCOGOVNTYBGK-UHFFFAOYSA-N 380.929 4.085 50 40 GIGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(Br)cc2)cc1 216064583 PBCDWQFZJXFLOO-DEDYPNTBSA-N 375.266 4.392 50 40 GIGB O=C(C[C@H](Br)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 255189110 NTSAVLYIIQIZAB-OAHLLOKOSA-N 387.682 4.108 50 40 GIGB C/C(=N\NC(=O)c1ccccc1Br)c1cccc(OC(F)F)c1 6946250 QINBDXQAYLJHHQ-KEBDBYFISA-N 383.192 4.205 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc(Cl)cc(Cl)c2O)[C@H]2CCCC=C12 33371102 QYBDWRGNKJKQKH-LRDDRELGSA-N 385.254 4.293 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1OCC 408862644 IGGGZHMMWQQBHD-BUVRLJJBSA-N 392.455 4.497 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc(F)c2)cc1 409127620 DRFOUANXYVRRML-NRFANRHFSA-N 390.414 4.219 50 40 GIGB C[C@@H](NC(=O)/C(C#N)=C\c1cccn1-c1cccc([N+](=O)[O-])c1)c1ccccc1 409231486 KSMWCQNYGLZGQD-OKSBFYSISA-N 386.411 4.170 50 40 GIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cncc(-c2ccc(F)cc2)c1 664530 SNRJDSFFHCNDAP-HXUWFJFHSA-N 389.430 4.339 50 40 GIGB CSc1ccc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 857513 PBKIBUWYVLUXHC-UFFVCSGVSA-N 397.378 4.028 50 40 GIGB Cc1ccc(C(=O)NNC(=O)CSc2nc3c(C)cc(C)cc3cc2C)cc1 932952 WEGRAMCZFIPNTB-UHFFFAOYSA-N 393.512 4.022 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCC)cc1 1434219 GKAMJOOQORUVKM-UDWIEESQSA-N 391.265 4.010 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(F)cc1 3588700 ZBZACRZIQOPMIU-WOJGMQOQSA-N 398.371 4.332 50 40 GIGB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)OC(=O)[C@H]12 101081942 SYIVTYTYMUUORT-OTLGMJNYSA-N 386.447 4.302 50 40 GIGB COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl 989517 JIGZEROALRKKPS-FSJBWODESA-N 383.835 4.171 50 40 GIGB O=C(Oc1ccccc1)[C@@H](Br)[C@H](Br)c1ccccc1 1646484 ZAXQJVJMPQUZSW-KGLIPLIRSA-N 384.067 4.492 50 40 GIGB CCOC(=O)[C@H](CC(C)C)/N=C/c1ccc(N(CCCl)CCCl)cc1 2036663 LOSLRIVGRKZIFT-OVBDPADQSA-N 387.351 4.367 50 40 GIGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccccc1 4292564 DWPFFEHICHUQQW-OAHLLOKOSA-N 382.345 4.109 50 40 GIGB biogenic COc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 4507689 NSSPAHYVXZBFKL-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB COc1ccccc1NCC(=O)N/N=C(\C)c1ccc(N2CCCCCC2)cc1 6297700 RDKCZUHYQSPHEK-XIEYBQDHSA-N 394.519 4.028 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCc1ccco1 40006580 OXEDJJLOTIPIMC-LDADJPATSA-N 376.387 4.221 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OCCC 409074751 RFQFRUMJHLBAAN-KGENOOAVSA-N 390.483 4.436 50 40 GIGB CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cl 2559977 XPJHGGWNGRWSPZ-SFHVURJKSA-N 389.904 4.412 50 40 GIGB COc1cccc([C@@H]2C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c1 66089463 JZUMBWVLISZPQF-OAQYLSRUSA-N 389.430 4.139 50 40 GIGB CN(C)c1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1Br 408565876 BZFZLXVBBZEZJF-XKZIYDEJSA-N 396.288 4.432 50 40 GIGB N#C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccccc1Cl 408789751 KUXBUEGWXKEHJX-KPKJPENVSA-N 391.210 4.002 50 40 GIGB O=C(N/N=c1/oc2ccccc2cc1-c1nc2ccccc2[nH]1)c1ccccc1 1885201 NKJOFPOGWQEQJE-SLEBQGDGSA-N 380.407 4.222 50 40 GIGB CCOC(=O)N/N=C/c1cn(CCOc2c(C)cccc2C)c2ccccc12 2304173 QMCZJWMUMAANPZ-OEAKJJBVSA-N 379.460 4.417 50 40 GIGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Br 3136467 RLUUCIIXUPLPLV-CIAFOILYSA-N 383.245 4.375 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)cc2)c(C)c1 20195050 LIWOFHIGCXCZSZ-JVWAILMASA-N 397.478 4.447 50 40 GIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OC)c(Br)c2)cc1 20197277 RIEUEDMNHGLWJS-UDWIEESQSA-N 391.265 4.010 50 40 GIGB O=C(N/N=C\c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(F)cc1 30822011 GYYSFMFSYVSRRO-CFRMEGHHSA-N 396.805 4.462 50 40 GIGB O=C(N/N=C\c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 30822102 JLSWARIERQDYCU-UCQKPKSFSA-N 378.815 4.323 50 40 GIGB COc1cc(/C=N\c2ccc(C(=O)O)cc2)ccc1N(CCCl)CCCl 104067918 FSLMPVHYVIWKQX-XKZIYDEJSA-N 395.286 4.428 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OC 408735122 OFLFRWLENAARFW-VGOFMYFVSA-N 386.835 4.220 50 40 GIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)o1 408890014 MOKJXCIIGGUWSW-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB COc1ccc(-n2cccc2/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 408951730 JWXDROUQWWJDHS-JJIBRWJFSA-N 384.439 4.041 50 40 GIGB CCCOc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 1836631 UNTGFPMYGXNKLY-DYESRHJHSA-N 388.471 4.078 50 40 GIGB Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1cccc(Br)c1 3166972 CWHDNDFJTKVQHI-SRZZPIQSSA-N 389.293 4.410 50 40 GIGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccco1 4503322 NTJGDGUXGLDIQY-CIAFOILYSA-N 399.244 4.385 50 40 GIGB C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1ccc2ccccc2c1 4746466 PMDWPKWUUUJCMS-BUVRLJJBSA-N 388.496 4.359 50 40 GIGB COc1ccc(Br)cc1/C=N/NC(=O)c1cc2ccccc2cc1O 5720635 PMPKCYCUFSGPOC-SRZZPIQSSA-N 399.244 4.080 50 40 GIGB CCOc1ccccc1/C=C(\C#N)S(=O)(=O)c1ccc(Br)cc1 14185596 CHYRQHPOKZQPII-LFIBNONCSA-N 392.274 4.186 50 40 GIGB O=C(CSCc1ccccc1Br)N/N=C/c1cccc(Cl)c1 20248372 VDBBXDXJTWSGIH-DJKKODMXSA-N 397.725 4.486 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1cccc(Br)c1 58917833 HWRIZEOYEGMIHL-WSDLNYQXSA-N 397.276 4.016 50 40 GIGB N#CCC(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 59500727 QBMNBPGTGNLLKK-SSDVNMTOSA-N 397.843 4.138 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccccc1 408541512 GNPQUKLKNYRCIB-XDHOZWIPSA-N 385.423 4.338 50 40 GIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 409154811 OOOJIRQKUIOTIM-WSDLNYQXSA-N 393.399 4.001 50 40 GIGB Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)N/N=C/c2ccccc2O)cc1 1433944 DGBLRNCEEJVFCR-SYOQMXFQSA-N 384.479 4.465 50 40 GIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(-c3nnco3)cc2)c1C 7779872 ATYUEYFUQUMCAY-WOJGMQOQSA-N 376.416 4.078 50 40 GIGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccc(F)cc3)c2C)c(C#N)c1C 8812218 ABCJBUIFMBMTRR-BHGWPJFGSA-N 378.407 4.079 50 40 GIGB C[C@H](Cl)C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 9062207 GJMPUMWYOKZNEJ-NSHDSACASA-N 386.864 4.023 50 40 GIGB Cc1cc(/C=N\NC(=O)c2ccncc2)c(C)n1-c1cccc(C(F)(F)F)c1 33293707 RIUBIFKBNUWIBI-ROTLSHHCSA-N 386.377 4.272 50 40 GIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@@]43C)o2)c1 408724390 DXQCBZKVHFFWBS-SYAOEQQNSA-N 394.471 4.400 50 40 GIGB Cc1c(/C=N/NC(=O)c2cccc(O)c2)c2ccccc2n1Cc1ccccc1 1433685 ZBZDXEFEOUKODV-MFKUBSTISA-N 383.451 4.468 50 40 GIGB N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1ccccc1F 20348335 GFEKLBDHBMNXSW-KRWDZBQOSA-N 379.460 4.041 50 40 GIGB Cc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(I)c1 408763735 QMPZEXXXIFXJCR-NTEUORMPSA-N 388.208 4.145 50 40 GIGB CCOc1ccc(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 408824597 IJLZNDDQRSVPHT-OQLLNIDSSA-N 384.819 4.291 50 40 GIGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1 408931407 LGNRSYKJJCPZHQ-PTNGSMBKSA-N 391.814 4.375 50 40 GIGB CCCCCCCc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1882361 LNPRXVASKRDUGC-UHFFFAOYSA-N 383.448 4.183 50 40 GIGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 5288524 VNRWTIYMJDDCNO-XDHOZWIPSA-N 377.853 4.022 50 40 GIGB COc1ccccc1C(=O)NNC(=O)N1c2ccccc2Sc2ccccc21 13988929 RZMVRYLDUVACLO-UHFFFAOYSA-N 391.452 4.353 50 40 GIGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc([N+](=O)[O-])c1O 15225881 OAOVFWOSVDTDHE-WUXMJOGZSA-N 375.178 4.136 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)c1C 408966182 KIELLKRJQOYWLL-LGJNPRDNSA-N 388.446 4.486 50 40 GIGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(Cl)c2)cc1OCC 409309419 GXJFBXCMERJKCM-FBHDLOMBSA-N 397.258 4.260 50 40 GIGB CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)/C=C/c1ccccc1Cl 2552074 AKBZFZGIKPCNEU-RDRICISKSA-N 386.879 4.093 50 40 GIGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5017814 DHOJSCSJYWJJHH-RVDMUPIBSA-N 396.377 4.147 50 40 GIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(Br)o1 5667720 QBHUTRYKLDKHTL-CIAFOILYSA-N 399.244 4.238 50 40 GIGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3O)o2)c(Br)c1 8368420 DTYWQDHSNRTEKO-NHDPSOOVSA-N 399.244 4.487 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C([C@@H](C)CC(C)(C)C2)[C@H]1c1ccccc1 35193561 VZDYFOCXVQNZFM-VNJOCVIMSA-N 389.499 4.346 50 40 GIGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(O)cc3)cc21 208466870 VGAMAFRGVJXPLH-FSJBWODESA-N 383.879 4.441 50 40 GIGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccccc1Br 408961065 QPWJKZMRBRQGKU-FYJGNVAPSA-N 386.293 4.122 50 40 GIGB CCOc1ccc(CCCC(=O)N/N=C/c2cccc(Br)c2)cc1 5872999 XSMHGZBQLVTUAT-KGENOOAVSA-N 389.293 4.321 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1OC 5952151 UFXGQTXBYYNTKO-UDWIEESQSA-N 391.265 4.010 50 40 GIGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2[nH]c3c(c2c1)CCCC3 8993984 BBZDGXSSWNYCMS-UHFFFAOYSA-N 391.515 4.024 50 40 GIGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccccc2)c(OCC)c1 26580381 VOUOIQHCFXIGRV-DCODIGEKSA-N 391.423 4.174 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 98086336 WNYRRCBOBCJZSV-QGOAFFKASA-N 390.443 4.439 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Cl)cc1OC 409229373 OCWXYWUWORUWJQ-PDGQHHTCSA-N 398.890 4.403 50 40 GIGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)NCCCc1ccccc1 409247001 FRBJIIGBNBTKPX-ATVHPVEESA-N 399.288 4.114 50 40 GIGB CC(C)(C)[Si](C)(C)OCc1ccn2c(I)cnc2c1 1083813777 FJARQVXKYOJNJA-UHFFFAOYSA-N 388.325 4.461 50 40 GIGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C)c(Cl)c1 6033624 IZAMXSPVZPPVMD-DJKKODMXSA-N 381.657 4.183 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(N2CCCC2)cc1 7384855 LACVEUQXQNXDHF-BUVRLJJBSA-N 377.419 4.450 50 40 GIGB Cc1nn(-c2ccccc2)c(O)c1/C(=N\NC(=O)OC(C)(C)C)c1ccccc1 13895940 GDRIDZIFOIMHQN-NMWGTECJSA-N 392.459 4.163 50 40 GIGB CCOc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 409393191 VJYANHLBXQMWBN-UQQQWYQISA-N 388.467 4.376 50 40 GIGB Cc1cc(C)c2nc(Cl)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 711818 VLIPPJNTPABFIK-QGZVFWFLSA-N 379.847 4.320 50 40 GIGB N#CC1=C(N)SC(N)=C(C#N)C1c1ccccc1OCc1ccc(Cl)cc1 19851658 ICVPILGDCPGZSB-UHFFFAOYSA-N 394.887 4.137 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(C)C 59245186 LAHGHIHTPUTLQN-MHWRWJLKSA-N 395.415 4.326 50 40 GIGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 59433314 MLPGALXFVHUURA-CIAFOILYSA-N 383.791 4.201 50 40 GIGB CC(=O)Nc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 101015499 CLEPJFBETGZMQI-UHFFFAOYSA-O 396.450 4.264 50 40 GIGB Cc1ccc(C(=O)/C=C(/O)C(=O)NN=C(c2ccccc2)c2ccccc2)cc1 102400864 IYFTZBWRIKZLBQ-CJLVFECKSA-N 384.435 4.188 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NC[C@H]1CCCO1 102855079 SEWUIIVMKAAJCV-XETPBLJFSA-N 391.254 4.456 50 40 GIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)c1 408739855 BAFDKRPWLYRTJV-MDWZMJQESA-N 387.233 4.099 50 40 GIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)cc1 1319278 OWFABHUXCTZHJP-OMBDHMDGSA-N 389.293 4.492 50 40 GIGB N#C/C(=C/c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 33386649 LPTFWJUSTXTEIZ-DHDCSXOGSA-N 382.666 4.441 50 40 GIGB CN(C)/C=N/C1=C(C#N)[C@H](c2ccc3c(c2)OCO3)c2ccc3ccccc3c2O1 100324850 VBGLDLBXDBIYMZ-XFBJJFJZSA-N 397.434 4.418 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1cccc(C)c1 409373637 WYCSKLAUYRZFTN-DEDYPNTBSA-N 376.456 4.112 50 40 GIGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cc(C)oc2C)o1 3167289 JQWBQYWTHFEQGK-FSJBWODESA-N 388.427 4.414 50 40 GIGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(N)=O 3254323 WBDUMKXOZWNHBA-QPEQYQDCSA-N 391.652 4.074 50 40 GIGB O=C(NNC(=S)Nc1ccc(F)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 4672322 YRUNDJJJQIHUNP-UHFFFAOYSA-N 381.904 4.013 50 40 GIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)cc1C 6477968 MJABFIJRGKYFDP-SFHVURJKSA-N 391.496 4.014 50 40 GIGB C#CCOc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Br 33632587 OZUKSIHINRLQGR-DHDCSXOGSA-N 383.201 4.433 50 40 GIGB CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 122118151 KJZFCRKXKZWGNY-WESXXUROSA-N 375.557 4.195 50 40 GIGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1c2ccccc2cc2ccccc12 408726378 NHSRQHOSPYYUSC-LGJNPRDNSA-N 397.434 4.284 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)c(C)c1 408883005 SLIULPUJGGOANK-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB CC[C@]1(C(=O)OC)C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C 504820506 GNNOCKGGURGXCT-IFXJQAMLSA-N 387.593 4.339 50 40 GIGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(O)c(C(=O)O)c3)n2)cc1 2210253 FSTLPIUBGXSTOW-JLHYYAGUSA-N 393.424 4.199 50 40 GIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Br 4723481 BFAAYDKAFZKTKL-LFIBNONCSA-N 395.256 4.315 50 40 GIGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccsc2)C(C#N)=C(N)O3)cc1 4900705 BNHJNFZKKMGIOB-INIZCTEOSA-N 380.498 4.290 50 40 GIGB C/C(=N/NC(=O)COc1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 5826795 NDJUSTPIPHPTLB-UQQQWYQISA-N 393.487 4.125 50 40 GIGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc(C2CCCCC2)cc1 34798630 GIXNXKYGXANBCX-ZHNJOBQTSA-N 378.472 4.415 50 40 GIGB N#CSCC(=O)Nc1ccc2nc(-c3ccccc3Br)oc2c1 226328222 AGWLXKKKDCIPMC-UHFFFAOYSA-N 388.246 4.410 50 40 GIGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1cccc(Br)c1 1254824 SQBZYLSRSHTIIL-MRXNPFEDSA-N 378.229 4.215 50 40 GIGB N#C/C(=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1nc2ccccc2[nH]1 4149582 OKEIXCLCNJQFOO-BJMVGYQFSA-N 385.177 4.003 50 40 GIGB CCOc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OCC 5466341 ZQHWNOWFWPEIEJ-LFVJCYFKSA-N 376.456 4.330 50 40 GIGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cc1)[C@H](Br)C2=O 100834632 VAFQPVNXJQZERO-CSMYWGQOSA-N 384.701 4.437 50 40 GIGB CC(=O)Oc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1 408763869 KYUHZCVNZAYZJO-DHDCSXOGSA-N 399.244 4.229 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1Br 7158128 MXRPITCMVOGECE-BMKJPTANSA-N 377.282 4.060 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OC(C)=O 408756788 XHJIXVXUEHLHPS-YBFXNURJSA-N 386.407 4.319 50 40 GIGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)CC(=O)N2)c1 9015484 OQFSKVRQMPPKCE-GOSISDBHSA-N 391.496 4.014 50 40 GIGB N#CC1=C(SCc2ccccc2)NC(=O)[C@@H](C#N)[C@H]1c1ccccc1Cl 9110637 HXZYZFWYIHGJJH-MAUKXSAKSA-N 379.872 4.362 50 40 GIGB CC(=O)N[C@H](CC(=O)NN(c1ccccc1)c1ccccc1)c1cccs1 32876681 DWJXYWPJLOZZGM-LJQANCHMSA-N 379.485 4.185 50 40 GIGB CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)COc1ccc(C(C)C)cc1 36093506 XTSQMXZLTUOJBX-UYZJIULLSA-N 380.444 4.123 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccccc1Br 408751361 GUADCDGPAVLBAD-WSDLNYQXSA-N 397.276 4.016 50 40 GIGB Cc1cccc(COc2ccccc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 409138083 ZTCFEZHLVQJZFD-JOCHJYFZSA-N 386.451 4.389 50 40 GIGB CCOC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1CC(C)C 841811 LBPTXUPPQYUJEP-QGZVFWFLSA-N 398.528 4.440 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1[C@H]1CC=CCC1 987219 JFSVEAUYKTUNDP-XHDPSFHLSA-N 397.276 4.365 50 40 GIGB Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=N/NC(N)=O)cc1C 4616960 RDQALISIHOWBAE-LSHDLFTRSA-N 396.274 4.070 50 40 GIGB CCN(CC)c1ccc(C(=O)N/N=C/c2c(OC)ccc3ccccc23)cc1 5568280 ANFGWEZRYNLBFK-LFVJCYFKSA-N 375.472 4.459 50 40 GIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OC(C)C)c3ccccc23)c1 6159886 UOUSXKMPLBZAAS-ZVHZXABRSA-N 389.455 4.349 50 40 GIGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)NCc1ccco1 6221996 JCRWPWZUORLLIE-XYOKQWHBSA-N 397.774 4.325 50 40 GIGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1NC(=O)c1ccccc1 15013642 LECXDFWGKPKADQ-CPNJWEJPSA-N 381.439 4.429 50 40 GIGB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)OC(=O)[C@@H]12 101082004 QWYDHHASCRHQDJ-QPNVDGBVSA-N 386.447 4.302 50 40 GIGB CNc1oc(-c2ccccc2F)nc1P(=O)(c1ccccc1)c1ccccc1 102618485 SDKAIEABWPOSHM-UHFFFAOYSA-N 392.370 4.162 50 40 GIGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 1103957 YHHCIAQVFYFBFR-MFKUBSTISA-N 398.418 4.491 50 40 GIGB COc1ccccc1NC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1ccccc1 4385802 PJMYSLVINPKMOQ-FQEVSTJZSA-N 391.496 4.393 50 40 GIGB C#CCOc1ccccc1/C=C(\C#N)S(=O)(=O)c1cc(Cl)ccc1Cl 6948285 KRIIYXQCMXDRFG-XNTDXEJSSA-N 392.263 4.344 50 40 GIGB CCOC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(C)c(Cl)c1 408990637 OHPFHNRZYUCNOU-YBEGLDIGSA-N 398.846 4.136 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1cccc(F)c1 409124750 LLUMMCPTRLCPAN-NRFANRHFSA-N 390.414 4.219 50 40 GIGB CC[C@]1(C)Cc2c(sc3nc(SC)nc(NNC(=O)CC(C)C)c23)CO1 2400258 AUCHCVJLQISTGR-GOSISDBHSA-N 394.566 4.144 50 40 GIGB CC(C)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(F)cc1 8812322 OAFCLVMRLXUDSY-KEBDBYFISA-N 379.229 4.139 50 40 GIGB O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Cl)c(O)c2ncccc12 59459131 BBVSCWMOXVVMMD-DHRITJCHSA-N 389.842 4.440 50 40 GIGB N#C/C(=C/c1ccc(I)cc1)Cn1cnc2ccccc21 408691722 NIYNFILFZCZWEA-ZROIWOOFSA-N 385.208 4.248 50 40 GIGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Br)C(N)=O 408877094 SQWKJUPVBVWNCF-RIYZIHGNSA-N 375.653 4.086 50 40 GIGB COc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1O 409368555 BQPHCYDFENUZMF-JYRVWZFOSA-N 377.181 4.070 50 40 GIGB Cc1cc2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c(Cl)nc2cc1C 899570 XTONFGXWKTUBBP-GOSISDBHSA-N 379.847 4.320 50 40 GIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1 208368934 NVGSMLQSEKHONJ-ATVHPVEESA-N 387.395 4.387 50 40 GIGB NNC(=O)c1cc(-c2ccc3ccccc3c2)nc2ccc(Br)cc12 226360379 ZLHIVMUTJAHAOA-UHFFFAOYSA-N 392.256 4.421 50 40 GIGB Cc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1I 408755717 MLPDPYIYBAAFSM-UVTDQMKNSA-N 388.208 4.145 50 40 GIGB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN(c1ccccc1)c1ccccc1 409182003 HIMCMZKGFQWFKX-IBGZPJMESA-N 381.476 4.255 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccc(F)cc1 409369243 IXKVQIOCNJWVDU-CPNJWEJPSA-N 394.446 4.333 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1[C@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 1002750 OTNMYKZNIYCTRV-SIKLNZKXSA-N 394.482 4.083 50 40 GIGB CCn1c(C)cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1C 409084416 CUIHIFFHVWSKFP-IWIPYMOSSA-N 375.472 4.321 50 40 GIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 5883899 VMKQUYGAPPSWLC-GOSISDBHSA-N 390.418 4.223 50 40 GIGB COc1ccccc1NCC(=O)N/N=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 67197093 XFYQDDQRAIVRCN-WYMPLXKRSA-N 397.862 4.479 50 40 GIGB Cc1cc(C)nc(N2C(O)=C(C#N)[C@@H](c3ccccc3)N2C(=O)c2ccccc2)n1 17081257 BYYBATGZAMWQLA-HXUWFJFHSA-N 397.438 4.005 50 40 GIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)c(C)cc2nc1Cl 899584 RPTZAQVQURRZTJ-GOSISDBHSA-N 397.862 4.150 50 40 GIGB CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19818115 RMTCWOPWKFTMDI-JTSKRJEESA-N 385.423 4.480 50 40 GIGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)NC[C@@H]1CCCO1 1099970 PLEPSQQILLBZQH-ISBHARSQSA-N 388.876 4.286 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c(OC)c1 33702194 MXMHDHDLMZPZTJ-ZVHZXABRSA-N 391.471 4.184 50 40 GIGB CCCCn1nc(C)c(Cl)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253406979 VMMJYJWNFPMCSC-HNNXBMFYSA-N 388.899 4.096 50 40 GIGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 5282436 KDMSPYYRLQWXMW-FYJGNVAPSA-N 390.892 4.134 50 40 GIGB CCCCCCOc1ccc(OCCOc2ccccc2/C=N/NC(N)=O)cc1 5951272 BZRBQMDQZYHORO-JJIBRWJFSA-N 399.491 4.106 50 40 GIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 16688991 FQGFELQQRLCVDB-LGMDPLHJSA-N 378.428 4.204 50 40 GIGB O=C(N/N=C1/CCCc2ccccc21)c1ccc(NC(=O)c2ccccc2)cc1 30755635 HZTMPKMHYBNZPA-ROMGYVFFSA-N 383.451 4.409 50 40 GIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl 627554 ORHWZJFAPBUCKS-KRWDZBQOSA-N 380.831 4.122 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 670311 LVPLVKKMXBECCD-BUVRLJJBSA-N 390.439 4.143 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 859760 ZMNTXIKBMKZFDD-MDWZMJQESA-N 376.334 4.268 50 40 GIGB N#C/C(=C\c1cc(Cl)c(O)c(Br)c1)C(=O)NCc1ccccc1 1095508 OBFJHODNMJUQSD-AWNIVKPZSA-N 391.652 4.031 50 40 GIGB COC(=O)c1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 3617258 GCFODCRCGFCSOH-RIYZIHGNSA-N 396.251 4.118 50 40 GIGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC#N)N1 4102594 AVTVGYRYHXSOLA-GOSISDBHSA-N 392.509 4.340 50 40 GIGB aggregator COc1ccccc1[C@@H]1CC(=O)N2CN(c3ccc(C)cc3)CSC2=C1C#N 4923331 CLEWWZXTNHQSHQ-SFHVURJKSA-N 391.496 4.223 50 40 GIGB CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)N/N=C/c1ccccc1O 6625451 GODLWJWCTCMEJX-PLDOOPKKSA-N 390.487 4.329 50 40 GIGB CCOc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OC(F)F 12748047 ZJNHGGHNGKMQPI-UKTHLTGXSA-N 383.354 4.400 50 40 GIGB COc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(OC)c1 15434669 YVVNKEQBMASRPZ-UHFFFAOYSA-N 375.639 4.421 50 40 GIGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(CSc2ccccc2)cc1 20246309 DVVXXXHHPOPGAQ-OEAKJJBVSA-N 390.464 4.441 50 40 GIGB COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)c1 58871357 IFZWFKQIZZATCT-BUVRLJJBSA-N 387.439 4.020 50 40 GIGB Cc1c(/C=N/NC(=O)Nc2ccc(Br)cc2)c2ccccc2n1C 59303409 GKDOXUFYJPCJRD-RGVLZGJSSA-N 385.265 4.405 50 40 GIGB CN(C)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Br 408599444 UZQDBMYTFBCWSI-LPYMAVHISA-N 396.288 4.432 50 40 GIGB COc1cccc(OC)c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 408970992 CFOPYFHJLUJNLU-FMIVXFBMSA-N 376.334 4.268 50 40 GIGB COC(=O)c1ccc(C)c(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)c1 409192715 ZPGAQFLOZQQUIA-FSJBWODESA-N 396.830 4.459 50 40 GIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1O 409256395 OHNKUNUSELNIIU-YDZHTSKRSA-N 388.895 4.435 50 40 GIGB COc1ccc(Br)cc1/C=N/NC(=O)c1cc2c(s1)CCCC2 2658678 DNSOOVXSERETKM-VXLYETTFSA-N 393.306 4.162 50 40 GIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 5025435 PSDLBZQCWXZMLR-WSDLNYQXSA-N 393.399 4.001 50 40 GIGB COc1cccc(-c2n[nH]c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)c1 5192873 MMPZDCADWANYLC-HXUWFJFHSA-N 394.434 4.457 50 40 GIGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)c2cccc3ccccc23)cc1 7975651 MKDXMMYHOVOUIO-XMHGGMMESA-N 384.435 4.239 50 40 GIGB COc1ccc(-c2n[nH]c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 8382610 DAASRNKQQKADOA-HXUWFJFHSA-N 394.434 4.457 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N4CCCC4)cc3)cc2c1 409183422 CIQTXCYCIUCOML-HAHDFKILSA-N 377.444 4.196 50 40 GIGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 409187826 USLPMJXXCRQYPL-YBEGLDIGSA-N 398.846 4.216 50 40 GIGB N#CC1=C(N)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl 4494767 GUYBDYXJBWYGLU-GOSISDBHSA-N 378.888 4.389 50 40 GIGB Cc1ccc(C)c(OCC(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 4589525 DFGDESUUGAIPMW-UUYOSTAYSA-N 393.399 4.001 50 40 GIGB O=C(OCCc1cccc2c1[C@@H](Cl)C(=O)N2)c1ccc(C(F)(F)F)cc1 5749680 CQTFFOKISXUFPN-OAHLLOKOSA-N 383.753 4.337 50 40 GIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 7386366 XDEGZAQJQKDVGH-MXJLDLDKSA-N 395.503 4.237 50 40 GIGB C=CCCOc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3o2)cc1 59417058 QHEHONHXOJDYTL-HZHRSRAPSA-N 395.484 4.415 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Cl)cc3)o2)cc1 408724574 FRGMVOVILIPZHH-YDZHTSKRSA-N 396.830 4.079 50 40 GIGB CC/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(OC)c(OC)c1 408877135 QEILEBHDFBCMNT-HMMYKYKNSA-N 391.265 4.010 50 40 GIGB Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1C 409096830 LDGLAUIGXMXZSY-PDGQHHTCSA-N 395.890 4.339 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 409127622 DRFOUANXYVRRML-OAQYLSRUSA-N 390.414 4.219 50 40 GIGB COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1OC(C)C 1968030 LWUGKUVRCUXWKJ-GZTJUZNOSA-N 391.876 4.474 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1O 3261503 GUFNZVQWFQWJPG-XYOKQWHBSA-N 376.384 4.261 50 40 GIGB COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 5942914 CPUWQQHNQFIYMO-BUVRLJJBSA-N 387.439 4.020 50 40 GIGB N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)c1ccccc1F 33761619 ZKUZHGIGTXWJII-GHXNOFRVSA-N 376.181 4.116 50 40 GIGB COc1ccccc1N1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1 96114342 QPKOQQIDLDFWJO-MRXNPFEDSA-N 380.579 4.058 50 40 GIGB biogenic Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1 212105018 RYELGSWEXNAETA-ATVHPVEESA-N 381.863 4.031 50 40 GIGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1 212594237 VDVQYCVHSSQTPR-WQLSENKSSA-N 375.197 4.142 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C(\C)c1ccc(Cl)cc1 408710930 XUOLIHLCXDICPD-VXLYETTFSA-N 381.657 4.265 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccccc1Br 408751553 XSOZLGKNKMCNIN-WSDLNYQXSA-N 397.276 4.016 50 40 GIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408859796 QMLVYQQLTRZUHD-HADWXUJASA-N 395.440 4.486 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OC 409064402 DIMFARZUKVCSGG-QGOAFFKASA-N 392.455 4.377 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC(C)C)cc2)c1C 409186990 KOVDMWYHBYEFQG-UNOMPAQXSA-N 392.455 4.180 50 40 GIGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Br)s1 1434124 MAGIYVHBVQPUIE-YFEDRJBBSA-N 387.686 4.082 50 40 GIGB Cc1cc(C)c(C(=O)COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1C 5229465 UHJCWLMRBXSRNG-XDHOZWIPSA-N 376.456 4.011 50 40 GIGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N/NC(=O)c1cccc(Cl)c1 14921484 MDOPVQQZPVKRML-JJFYIABZSA-N 378.259 4.436 50 40 GIGB C[C@H](Cl)CN1COc2ccc3c4c(ccc3c2C1)OCN(C[C@@H](C)Cl)C4 95741638 ZRJNKRBITXKBNC-OKILXGFUSA-N 395.330 4.398 50 40 GIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@@]43C)o2)c1 408724388 DXQCBZKVHFFWBS-CCVFBZPMSA-N 394.471 4.400 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 408797684 SYUQLLCSCRXTLR-LFIBNONCSA-N 380.831 4.296 50 40 GIGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1 409089577 ODHABDSGBLUFMC-PDGQHHTCSA-N 391.471 4.158 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Br)cc3)cc2c1 409184425 LCAJKOCVJBMVEA-JAIQZWGSSA-N 387.233 4.358 50 40 GIGB CC[C@@]1(C(=O)OC)C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C 504820512 GNNOCKGGURGXCT-LIRRHRJNSA-N 387.593 4.339 50 40 GIGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1cccs1 2207657 ZWGAJTRCTLVKNY-ZDUSSCGKSA-N 388.374 4.171 50 40 GIGB CCc1cc2ccccc2nc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 4849233 RFPJHNQOTBRFGF-UHFFFAOYSA-N 399.903 4.004 50 40 GIGB C/C(=N\NC(=O)CSc1cc(C)c(Br)cc1C)c1ccncc1 4863537 YUCKUABEKRNNAB-DEDYPNTBSA-N 392.322 4.093 50 40 GIGB Cc1ccc([C@@H]2C(C#N)=C(N)O[C@H]3[C@@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1 5546339 OYBRLNLLOLUPME-UWVAXJGDSA-N 398.388 4.184 50 40 GIGB CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(OCC)c1 6961741 PBWGRYJJWXQQOH-CIAFOILYSA-N 392.908 4.380 50 40 GIGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OC 7993655 FBEUIRXMKBHYNN-AWQFTUOYSA-N 399.299 4.253 50 40 GIGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 17079432 JDJLOZJJOQNLQV-QPEQYQDCSA-N 389.205 4.439 50 40 GIGB Cc1occc1C(=O)NNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 24842083 ASVRVQNZGQKUEL-UHFFFAOYSA-N 393.424 4.046 50 40 GIGB CC(=O)Nc1cccc([C@H](C)NC(=O)NNc2ccc(Cl)cc2Cl)c1 45718914 RUUZQISILFUFKO-JTQLQIEISA-N 381.263 4.339 50 40 GIGB CCCCn1nc(C)c(Cl)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253406983 VMMJYJWNFPMCSC-OAHLLOKOSA-N 388.899 4.096 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C(/c1ccccc1)C(C)C 408710688 FEVMCQRULMLJAQ-LVZFUZTISA-N 375.266 4.248 50 40 GIGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3ccccc3)o2)cc1 408755863 NNBOVINSLPNJRX-KCOUNZPASA-N 392.455 4.309 50 40 GIGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2cccc(O)c2)c1C 408856701 KSSOMDOLKMZDGW-OYKKKHCWSA-N 375.472 4.434 50 40 GIGB COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C 408861832 BBKGOZGMGWLZOJ-XQNSMLJCSA-N 399.494 4.431 50 40 GIGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(C(C)(C)C)cc3)CC2=O)cc1 409150723 DKZKDHGRECPMQG-QETRNLNESA-N 391.515 4.050 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3cc(C)ccc3C)o2)cc1 409362657 JRGFVQGLHSGSES-ZVHZXABRSA-N 390.439 4.043 50 40 GIGB COc1cc(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1O 1114407 YDARHNRMUXOQKJ-WUXMJOGZSA-N 375.178 4.136 50 40 GIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2)cc1 2726862 RPPLHXUCWRMNNV-XDJHFCHBSA-N 391.471 4.255 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Br)c2)[C@@H]2CCCC=C12 20058103 XRDKIBUWSWAVAW-WBVHZDCISA-N 379.261 4.043 50 40 GIGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 59166846 BZCKECLFWKSYBI-UFWORHAWSA-N 398.271 4.285 50 40 GIGB O=C(N/N=C/c1cc2cc([N+](=O)[O-])ccc2nc1Cl)c1ccc(Cl)cc1 408728066 HQDGKUXZBHRWPS-AWQFTUOYSA-N 389.198 4.214 50 40 GIGB CCOC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cccc(C)c3)o2)c1 408870317 VXGFOKQPKKAARN-UCQKPKSFSA-N 376.412 4.196 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 1002751 OTNMYKZNIYCTRV-UGKGYDQZSA-N 394.482 4.083 50 40 GIGB CC(C)c1ccc(/C=N/NC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 3088998 PPWYDVUEZHKACJ-WYMPLXKRSA-N 391.393 4.308 50 40 GIGB COc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1 4923102 YHGWQUDUUQJLIE-LJQANCHMSA-N 391.496 4.223 50 40 GIGB CCCOc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1OC 8812808 ACOAOVDJPGHGTN-UDWIEESQSA-N 391.265 4.010 50 40 GIGB CCOc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 10475858 OSESSOUCKYTEAB-KOEQRZSOSA-N 388.467 4.357 50 40 GIGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)c2)cc1 59410772 UPALOOGGXMQVQL-ZMOGYAJESA-N 388.423 4.067 50 40 GIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1 59502277 SUAHHUDBJOZWNR-RGVLZGJSSA-N 393.668 4.431 50 40 GIGB C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 408791548 YMFFQNZVMLVTQQ-XDHOZWIPSA-N 377.853 4.022 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)o1 408992784 BXDHZSMGJXPALU-HMHKGCENSA-N 379.913 4.410 50 40 GIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2ccccc2)s1 1905791 XLJWWGSFUJPUQI-CXUHLZMHSA-N 390.424 4.188 50 40 GIGB C/C(=N\OCC(=O)N/N=C/C1=C(c2ccccc2)[C@@H]2C=C[C@H]1C2)c1ccccc1 4902694 HDIQGCXVCDDEIV-HDKILSCFSA-N 385.467 4.189 50 40 GIGB CCCCNC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccs1 40161456 BUNRIGJSYSAYDV-AQTBWJFISA-N 390.512 4.483 50 40 GIGB CC(C)C[C@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 103642791 FUSUFTVAQIREOR-IBGZPJMESA-N 379.412 4.329 50 40 GIGB CC(C)/C(=N\NC(=O)c1ccc(I)cc1)c1ccccc1 408712053 XMDZKNBCHFROCK-KNTRCKAVSA-N 392.240 4.081 50 40 GIGB Cc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 1431144 DLSSUCNCTNRMOE-LFVJCYFKSA-N 381.439 4.007 50 40 GIGB CCCCc1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)cc1 2176375 JVXZDQVDGKRBNA-FYJGNVAPSA-N 389.293 4.321 50 40 GIGB COc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N3C2)cc1 2217965 XTTCYOUUBAPAIM-SFHVURJKSA-N 395.459 4.054 50 40 GIGB CCOc1ccc(CCCC(=O)N/N=C/c2ccc(Br)cc2)cc1 5872968 UKLLBKDRFUBWHP-KGENOOAVSA-N 389.293 4.321 50 40 GIGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)N1CCOCC1 17149690 XCFPNNLEYXICRK-BENRWUELSA-N 377.227 4.019 50 40 GIGB C/C(Cc1ccccc1)=N\NC(=O)CSCc1ccccc1Br 20248299 MMUHEOGTCOQVQS-XSFVSMFZSA-N 391.334 4.417 50 40 GIGB COc1cc(Br)c(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC 33406407 VSPUDNQWWZFRCP-GHXNOFRVSA-N 384.233 4.407 50 40 GIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1c(F)cccc1Cl 627513 HTHBOBSVXYHRLG-INIZCTEOSA-N 398.821 4.261 50 40 GIGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)[C@@H](O)c1ccccc1 3102745 VBBYGSODDLGXCE-GQBLCDNYSA-N 394.858 4.103 50 40 GIGB C/C(=N\NC(=O)c1cccc(F)c1)c1cccc(NC(=O)c2cccs2)c1 5381948 PDYMYQAMIYKJGB-YDZHTSKRSA-N 381.432 4.294 50 40 GIGB C[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1cc(Cl)ccc1O 5527735 UMOMJAVLEGOWNR-XPAGJJBOSA-N 391.905 4.286 50 40 GIGB CCOc1ccc2ccccc2c1/C=N\NC(=O)CSc1ccc(OC)cc1 16693121 UEIFDMJWCCTPTF-UCQKPKSFSA-N 394.496 4.490 50 40 GIGB CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 85565174 MDFXWBJYDYWQRK-QNHAZURESA-N 382.548 4.352 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Br 408760455 YWUQDNMUEIVHLF-CIAFOILYSA-N 383.245 4.375 50 40 GIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl 408921577 BEQITVFFGNHJMZ-YRNVUSSQSA-N 392.198 4.456 50 40 GIGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)Cc1cccc(C(F)(F)F)c1 408960028 IDYFROWODQDVLD-QFEZKATASA-N 389.421 4.307 50 40 GIGB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1 409193807 MRFQNBDNJWHASV-SSDVNMTOSA-N 382.803 4.371 50 40 GIGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccco1 1105637 KAGUUEANSJIMCS-CIAFOILYSA-N 399.244 4.385 50 40 GIGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 6218497 IOTNPIDBERJNMW-WSDLNYQXSA-N 393.399 4.001 50 40 GIGB COc1ccc(Oc2ccc(/C=N/NC(=O)OC(C)(C)C)cc2[N+](=O)[O-])cc1 10216475 IOTMYIINTISIGY-UDWIEESQSA-N 387.392 4.254 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)CCSc2ccc(Cl)cc2)cc1OC 20248398 LYYFWORHVOWGTC-FYJGNVAPSA-N 392.908 4.380 50 40 GIGB FC(F)(F)Oc1ccc2c(c1)[C@H]1O[C@@H]2[C@H](Br)[C@@H]1Br 95486416 YQZTXJVRMTZYRA-XFWSIPNHSA-N 387.977 4.238 50 40 GIGB N#C/C(C(=O)CSc1ncnc2sccc12)=C1\Nc2ccccc2S1 104796868 BMAYAMUQMOLVPO-BOPFTXTBSA-N 382.495 4.305 50 40 GIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br 408743894 HZQUXRSCJMZIHZ-WJDWOHSUSA-N 395.256 4.315 50 40 GIGB CCOc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1 408905058 SNMOXHVOGCNGGW-ODLFYWEKSA-N 376.254 4.312 50 40 GIGB O=C(N/N=C/c1ccccc1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2271954 WSNCPKBBFBYJJH-ZVHZXABRSA-N 399.277 4.380 50 40 GIGB Cc1ccc(COc2ccccc2[C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1 409124704 BJZQYQWNIISUNB-QHCPKHFHSA-N 399.494 4.304 50 40 GIGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1Cl 409128224 ISYNVLUMBIHHSY-MRXNPFEDSA-N 392.286 4.122 50 40 GIGB O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)NC1CCCCC1 2755520 PTARHEQAXYMPHR-UHFFFAOYSA-N 388.471 4.179 50 40 GIGB C/C(=N/NC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)C2CC2)c1 5381294 GWJINQLYNSAWSZ-KSEXSDGBSA-N 390.270 4.496 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 5661811 OYJKXVRSEONHCI-LCYFTJDESA-N 387.233 4.012 50 40 GIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 6222510 IXZJHXICKFDGFZ-CIAFOILYSA-N 383.791 4.201 50 40 GIGB CC(C)(C)c1cc(C(=O)N/N=C\c2c[nH]c3ccccc23)n(-c2ccccc2)n1 32679252 WNUKDEPUISBNEG-MYYYXRDXSA-N 385.471 4.415 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1O 59151726 SJPBCJRQZATWMF-SRZZPIQSSA-N 399.244 4.080 50 40 GIGB COc1ccc(NC(=O)[C@H](Br)Cc2ccccc2Cl)c(OC)c1 96345898 CYFZSTSBKNPTNV-CYBMUJFWSA-N 398.684 4.302 50 40 GIGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 408888622 XYYXWWAWELLMCI-FOWTUZBSSA-N 395.415 4.328 50 40 GIGB N#Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3F)c2)c(F)c1 408965447 HMHJQXFHIXXMEX-LGJNPRDNSA-N 391.377 4.179 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(SC#N)c1O 409048876 UJKWWVGNQNSSRN-CHHVJCJISA-N 379.441 4.137 50 40 GIGB Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)N(C)C4=C3C(=O)CCC4)cc2)cc1 409137881 XBFXYVUNBKKRDQ-QHCPKHFHSA-N 399.494 4.304 50 40 GIGB COc1ccc(C(=O)[C@H](Br)CBr)cc1C(F)(F)F 575361386 ZVZYAYZWBLFCJI-MRVPVSSYSA-N 389.993 4.055 50 40 GIGB ClCCN(CCCl)c1ccc(/C=N/N=c2/[nH]c3ccccc3s2)cc1 1690737 XJMFQDQSJWOMAB-FYJGNVAPSA-N 393.343 4.448 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 3660927 HHYCTLGURSRBHU-CIAFOILYSA-N 390.892 4.156 50 40 GIGB CC(C)(C)C1=CC(=NNC(=O)c2ccc([N+](=O)[O-])cc2)C=C(C(C)(C)C)C1=O 4671957 PBOAPRYWMUBZEJ-UHFFFAOYSA-N 383.448 4.208 50 40 GIGB CC/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccc2c(c1)OCCO2 4714603 XIRYIFMPYATAJX-CYNURGJPSA-N 384.501 4.010 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1Br 5771304 QGXRTMXXRRAWSF-GIJQJNRQSA-N 383.698 4.345 50 40 GIGB O=P(C(=S)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@H]21)(c1ccccc1)c1ccccc1 95676981 YSKJWRGCOCIJFA-RECXWPGBSA-N 393.492 4.476 50 40 GIGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)O)c1 408543044 OORXTDGIPOBBNQ-QINSGFPZSA-N 391.814 4.375 50 40 GIGB C/C(=N\NC(=O)CSCCc1ccccc1)c1cccc(Br)c1 408728221 WYZQNYVOAXSTHG-XSFVSMFZSA-N 391.334 4.265 50 40 GIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccnc3)c2C)c1 408786548 KIEWIESMEGQBET-UNOMPAQXSA-N 386.455 4.434 50 40 GIGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccccc1 409206732 WQZNPJAFYADLLZ-AUEUWSLNSA-N 399.450 4.032 50 40 GIGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1c(Cl)cccc1Cl 710708 CBHGUGSHOSNHPP-IFRROFPPSA-N 381.650 4.367 50 40 GIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(O)cc1 3343333 KBERLOIVWYYJIZ-BUVRLJJBSA-N 382.423 4.009 50 40 GIGB N#C/C(=C\c1ccc(OC(F)F)cc1OC(F)F)c1nnc2n1CCCCC2 5560084 ARFVNUZMDBRCFC-XYOKQWHBSA-N 396.344 4.271 50 40 GIGB Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccccc3)cc2)n1 6684417 AONKFGQIJODCCU-LPYMAVHISA-N 376.485 4.150 50 40 GIGB COc1ccccc1[C@H]1CC(=O)N2CN(C3CCCCC3)CSC2=C1C#N 20029505 SDWLFDRFZYMMMR-QGZVFWFLSA-N 383.517 4.043 50 40 GIGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 20248732 DCKSHJDNBPPCRQ-XDHOZWIPSA-N 377.853 4.022 50 40 GIGB CC(=O)OCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95749453 UGDNEIBQZNPTEF-UHFFFAOYSA-N 377.444 4.324 50 40 GIGB COc1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3[C@@H]4CCCC[C@@]43C)o2)c([N+](=O)[O-])c1 138539362 IIXBOOKEPNZPRD-RICRRJBLSA-N 397.431 4.140 50 40 GIGB CCCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc12 408734916 LKWARMOVIWRZHO-ZSFFSCSXSA-N 378.472 4.221 50 40 GIGB CCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1cccc(C(F)(F)F)c1 409104677 DTAPLOPOXOMVRI-KSEXSDGBSA-N 384.785 4.450 50 40 GIGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 830512 VCSFIXAKTKACBL-MFKUBSTISA-N 398.418 4.491 50 40 GIGB N#C/C(=C\c1ccc(I)o1)C(=O)Nc1ccccc1Cl 1211208 SCIFSYDOCSJKLU-VQHVLOKHSA-N 398.587 4.083 50 40 GIGB CCOC(=O)[C@@H](CC(C)C)/N=C/c1ccc(N(CCCl)CCCl)cc1 1702519 LOSLRIVGRKZIFT-SDLXJUDFSA-N 387.351 4.367 50 40 GIGB CCC[C@H](C(=O)NNC(=O)CSc1nc2ccccc2s1)c1ccccc1 3374751 DCFPNEPNQYXJHA-HNNXBMFYSA-N 399.541 4.120 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1OC 5661870 HOCKTRUBBRQENV-WSDLNYQXSA-N 384.819 4.381 50 40 GIGB CCCCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2o1 137787958 JMDGJLFAGVXSDU-FYJGNVAPSA-N 383.473 4.249 50 40 GIGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 408541445 ZOEGRCYOLHHNIT-JCMHNJIXSA-N 399.447 4.326 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCC#N 408809885 SLWSHCOQBVSHNI-LFIBNONCSA-N 395.846 4.495 50 40 GIGB N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)Nc1cccc(Br)c1 408855551 FDAZAPWGDCRENV-RAXLEYEMSA-N 386.249 4.188 50 40 GIGB C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1cc([N+](=O)[O-])cs1 919124 JMEJPMXYNNPKJW-CPNJWEJPSA-N 375.450 4.007 50 40 GIGB O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1Cl 1051933 RPWAYXWOTUOCDG-AWQFTUOYSA-N 384.650 4.126 50 40 GIGB CC[C@@H](Br)C(=O)Nc1nc2c(F)cc(Br)cc2s1 20132316 GXDWDLLNMGQHDM-ZCFIWIBFSA-N 396.079 4.310 50 40 GIGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OC 409073748 IGYCYQHGSJIMEZ-XSFVSMFZSA-N 386.451 4.290 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C)cc3)o2)cc1Cl 650266 FZSQKEISHGEIDU-FSJBWODESA-N 396.830 4.459 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)o2)sc2c1CC[C@H](C)C2 1252086 SVFRXGLUGZTZMI-LQELWAHVSA-N 398.484 4.497 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Cl)c2)cn1 1425110 YEIVWNFIJUBYMM-WYMPLXKRSA-N 393.830 4.027 50 40 GIGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(O)c(Br)c1 1445328 JUPJQBSLUYZPRY-CIAFOILYSA-N 383.245 4.001 50 40 GIGB CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)/C=C/c1ccccc1Cl 2552078 AKBZFZGIKPCNEU-LHNRBYRGSA-N 386.879 4.093 50 40 GIGB Cc1ccc(OCC(=O)N/N=C/C(Br)=C/c2ccccc2)cc1C 3115166 UAUIUPKEFYPUIW-NHJUXKLCSA-N 387.277 4.220 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1OCc1ccccc1 3376051 JTTCURUFXZZKJF-GZTJUZNOSA-N 391.452 4.276 50 40 GIGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12 7000255 YBFMTJYQHOOUQI-OQLLNIDSSA-N 376.412 4.292 50 40 GIGB CC(C)c1ccc(NC(=O)/C(C#N)=C2\SCC(=O)N2c2ccccc2)cc1 12504988 KMEUNTKKSXKILK-UZYVYHOESA-N 377.469 4.264 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(O)c1 20248906 CEXNTLXYYFXGLH-FYJGNVAPSA-N 390.892 4.243 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NC[C@@H]1CCCO1 102855076 SEWUIIVMKAAJCV-NRUITVPNSA-N 391.254 4.456 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2C)c1 408599098 OSZZVONQFSEYSG-LPYMAVHISA-N 376.416 4.075 50 40 GIGB Cc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 408977695 FHEIGAQONWCFJS-YALBQKEFSA-N 385.467 4.007 50 40 GIGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OCC(=O)O 409042121 BKVNOBGPESYYLN-NTUHNPAUSA-N 398.802 4.407 50 40 GIGB N#C/C(=C/Nc1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 13608242 SCKTYSWIQGHQEU-LCYFTJDESA-N 398.227 4.152 50 40 GIGB Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccccn1 15229669 MAWCAKATQHVAAU-YSMPRRRNSA-N 398.466 4.171 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1ccc(Cl)cc1 23410518 GRABGULVILJZIS-PTNGSMBKSA-N 384.844 4.312 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OC(C)=O 59292136 BTFCBPRHGFJGKD-OQLLNIDSSA-N 384.819 4.128 50 40 GIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1[C@H]2CCCC[C@]21C 101713663 UTXVFOHELIKLAX-MVRSUKAXSA-N 391.309 4.290 50 40 GIGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1 408586389 BPLXKMYPRRZACP-ZVHZXABRSA-N 395.890 4.449 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)cc1 408590855 QTCJFCPAQXKIGK-WSDLNYQXSA-N 382.803 4.151 50 40 GIGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1 989060 JVANVKBTBYODCF-IBGZPJMESA-N 376.847 4.361 50 40 GIGB N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1320718 JLYKASUBGHCOKL-UHFFFAOYSA-N 398.647 4.450 50 40 GIGB O=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1ccccc1O 33349982 VEHGDFUGKQJKHS-QRVIBDJDSA-N 380.831 4.389 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Cl)c1OCc1ccccc1 409367483 BGDHJOSZOZRYJT-WOJGMQOQSA-N 396.874 4.457 50 40 GIGB CCN(CC)c1ccc(C(=O)N/N=C(\C)c2ccc(OC(F)F)cc2)cc1 4882051 PUYJJUWMXHPEJB-OEAKJJBVSA-N 375.419 4.288 50 40 GIGB N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2)CC1 5590915 ZIUSRQFFNNBHEY-VBKFSLOCSA-N 386.282 4.249 50 40 GIGB CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)cc1 7211909 QNFJFAVJGCZITI-GXDHUFHOSA-N 388.254 4.241 50 40 GIGB CCSc1ccccc1C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 12757337 QIGDKTNOGIXBGW-UHFFFAOYSA-N 397.525 4.305 50 40 GIGB Cc1ccc(NC(=O)CS[C@H](C)C(=O)NNc2ccc(C)c(Cl)c2)cc1 30551778 ZNUJGPWKHVYQIK-CQSZACIVSA-N 391.924 4.160 50 40 GIGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCc1cccs1 59534442 GYYUPGNBQLBETR-GXDHUFHOSA-N 379.397 4.140 50 40 GIGB CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1OCC 408858725 OUBAIMIXXYDHOI-LPYMAVHISA-N 386.517 4.176 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC)c(OC)c3)cc2c1 409188240 XRGMINUZLLNBSW-XKZIYDEJSA-N 382.416 4.003 50 40 GIGB CCCC(=O)N1c2ccc(-c3csc(NC(=O)CCCl)n3)cc2C[C@@H]1C 4892804 ZGIKXBMXSBQXGE-LBPRGKRZSA-N 391.924 4.455 50 40 GIGB N#CC1=C(N)OC(C(F)(F)F)=C(c2nc3ccccc3o2)[C@H]1c1ccncc1 5395264 DYBQLDCASIGMSX-AWEZNQCLSA-N 384.317 4.004 50 40 GIGB N#CC1=C(SCC(=O)c2ccc(Cl)cc2)NC(=O)[C@@H](C#N)C12CCCCC2 8973413 XXDHXNIIDPPSRK-OAHLLOKOSA-N 399.903 4.211 50 40 GIGB COc1ccccc1OCC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 20243978 DXIBUOUVXBRHSU-HZHRSRAPSA-N 376.412 4.017 50 40 GIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(N2CCCCC2)o1 60684435 GKQPZZWZEJLXRP-SRZZPIQSSA-N 396.274 4.106 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 408599278 RRVTYLBRFNQVPM-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCC#N 408789017 HFBKFOKHDSHPLJ-CXUHLZMHSA-N 395.846 4.414 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)c1C 409004582 AOIJASDUZCTIGD-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB N#CCOc1ccccc1/C=C(/C#N)c1ccc(I)cc1 409368805 NVAAUINKOTWITP-PTNGSMBKSA-N 386.192 4.258 50 40 GIGB C#CCn1c(C)c(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc21 409392696 RJNKBTGBWIAGNC-JVWAILMASA-N 394.478 4.298 50 40 GIGB C/C(=N\NC(=O)[C@@H](C)Nc1c(C)cccc1C)c1ccc(Br)cc1 726409 JUERJQTYKYMSCF-QQHUYRGFSA-N 388.309 4.407 50 40 GIGB O=C(CCl)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 1397234 LFFQZBOKKXAFTF-PGMHBOJBSA-N 397.645 4.026 50 40 GIGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@H]1c1ccccc1Cl 20348358 SYQAKROVWOSDNS-HNNXBMFYSA-N 385.876 4.148 50 40 GIGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NC[C@@H]1CCCO1 26964601 UBVDXNURHAPHQS-PINLSGDHSA-N 391.254 4.456 50 40 GIGB Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)o1 408725269 KGTRNRYZZZVKOO-LSHDLFTRSA-N 382.803 4.401 50 40 GIGB COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(F)cc4)cc3C2)cc1 408730312 PJZSXLCUINIWRX-MXAYSNPKSA-N 389.430 4.118 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(Br)c2)c1 408744251 JUVJTAYSXRGQBZ-GDNBJRDFSA-N 396.244 4.206 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 408883218 UGOIPIIGLWYVAO-IZZDOVSWSA-N 392.198 4.456 50 40 GIGB CC(C)(C)c1ccc(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 409001804 KQXUJGXIFYMQGH-SSDVNMTOSA-N 392.286 4.380 50 40 GIGB O=C(CCNC(=O)OCc1ccccc1)NN(c1ccccc1)c1ccccc1 409002076 LYTVSALDMCHKOC-UHFFFAOYSA-N 389.455 4.172 50 40 GIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 1965211 RHZATZIKBPRADT-RVDMUPIBSA-N 377.469 4.443 50 40 GIGB N#CC(Nc1cccc(OC(F)(F)C(F)F)c1)=C1C(=O)c2ccccc2C1=O 2550146 XXRDUAJFRIDNAD-UHFFFAOYSA-N 390.292 4.192 50 40 GIGB CC1(C)[C@]2(C(=O)Nc3ccc(Cl)cc3)CC[C@@]1(C)C(=O)[C@H]2Br 2703437 VAFQPVNXJQZERO-OAUYIBNBSA-N 384.701 4.437 50 40 GIGB C/C(=N/NC(=O)CSCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 4402191 DHHDEFAQZILIGF-UNOMPAQXSA-N 377.853 4.022 50 40 GIGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccccc1 4712099 VOTCGDGPYKVJJW-YDZHTSKRSA-N 381.863 4.277 50 40 GIGB C/C(Cc1c[nH]c2ccccc12)=N\NC(=O)C(O)(c1ccccc1)c1ccccc1 5494498 XBNCFBRMCKQNOG-OVVQPSECSA-N 397.478 4.139 50 40 GIGB O=C(NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccccc1 6550260 BVGWWCRZYLQFRF-UHFFFAOYSA-N 389.333 4.432 50 40 GIGB C[C@@]12[C@H]3[C@@H]4C[C@H]5[C@H]([C@H]4[C@H]1Br)[C@H]2C(Br)(Br)[C@H]53 245266579 KEDQYEQDYKQXQJ-XIDGKQKGSA-N 396.948 4.014 50 40 GIGB Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 989054 UDESGRLBAASEQX-IBGZPJMESA-N 376.847 4.361 50 40 GIGB CNC(=O)/C(C#N)=C/c1cc(Br)c(Sc2ccc(C)cc2)o1 1095124 RXZGKUXLKQNYTG-YRNVUSSQSA-N 377.263 4.155 50 40 GIGB C/C(=N\NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 5003107 OCDFJSQNFGMGHE-OVGGYYKHSA-N 385.467 4.088 50 40 GIGB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C\c2ccccc2O)c1 32216656 SEDNXUZFVGEVSJ-JMTCZITHSA-N 384.479 4.465 50 40 GIGB Fc1cc(CBr)c(I)cc1Br 169795573 JMLKUEHSQBUVCT-UHFFFAOYSA-N 393.819 4.088 50 40 GIGB COc1cccc(C(=O)N/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)c1 208213374 UETMHUUZECRHNS-GCMSVZMUSA-N 379.504 4.490 50 40 GIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@]43C)o2)c1 408724387 DXQCBZKVHFFWBS-BZVNERFISA-N 394.471 4.400 50 40 GIGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1ccc2ccccc2c1 3217474 TYWDJYCYGBKSII-FRKPEAEDSA-N 387.351 4.022 50 40 GIGB CCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)c3ccccn3)cc2)cc1 5119709 ZPAAIBYWMSRZAJ-KOEQRZSOSA-N 389.455 4.213 50 40 GIGB CCCCCC[C@@H](CCl)OCCOCCOCCOCCOCCCC 5418349 XQWVKTMGOKTMND-FQEVSTJZSA-N 396.996 4.447 50 40 GIGB CCOc1cc(C(=O)NN)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 226326938 CKGMBWCFRAVXFI-UHFFFAOYSA-N 389.666 4.228 50 40 GIGB Cc1c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc2n1C 408529234 IUYLYYUGCBWTLA-OPEKNORGSA-N 388.393 4.068 50 40 GIGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 408811736 WEYAKKYKVMJEHX-FOWTUZBSSA-N 380.831 4.296 50 40 GIGB Cc1cc(C)c2nc(Cl)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 711817 VLIPPJNTPABFIK-KRWDZBQOSA-N 379.847 4.320 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccccc1Br 989035 ICDYLJGSMFDVTM-OAHLLOKOSA-N 393.244 4.057 50 40 GIGB Cc1cc(/C=N/NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccccn1 1103874 MAWCAKATQHVAAU-CVKSISIWSA-N 398.466 4.171 50 40 GIGB COc1ccccc1/C(C)=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2 1469520 WPJNLUSAXCERTQ-UQQQWYQISA-N 389.499 4.459 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccncc2)cc1COc1cccc(C)c1C 2302826 RWMBGOYWIJXSNC-AFUMVMLFSA-N 389.455 4.050 50 40 GIGB O=C(N/N=C/C=C/c1ccccc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3113060 GIQFACJYJDEQDF-JOUPJCCWSA-N 393.450 4.363 50 40 GIGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 4888845 HSACPWHOQLTPCH-INIZCTEOSA-N 380.498 4.290 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@H]2C[C@H](c3ccccc3)CC=C12 13110734 BFDLPNAMAQGGCB-PIPMEXSNSA-N 377.451 4.069 50 40 GIGB O=C(N/N=C(\c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12 13321824 AYCUIBGTUKBZEC-DARPEHSRSA-N 384.395 4.259 50 40 GIGB CC(C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 33621803 PHFGQXGKSMTIHX-XKZIYDEJSA-N 377.400 4.299 50 40 GIGB C[C@@]12[C@@H](Br)[C@@H]3[C@H]4C[C@H]5[C@@H]3[C@H]1C(Br)(Br)[C@@H]5[C@@H]42 100883090 KEDQYEQDYKQXQJ-ZTKVBPMESA-N 396.948 4.014 50 40 GIGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 100923090 YVWMFLWDIOVZQB-OEAKJJBVSA-N 396.447 4.027 50 40 GIGB O=C(NNC(=O)c1sc2c(c1Cl)CCCC2)Nc1cccc(Cl)c1 904391 VRESXUZNCHMOMI-UHFFFAOYSA-N 384.288 4.400 50 40 GIGB CN(C)c1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 2360601 SRJULASJUUBDJA-HXTHCWADSA-N 383.495 4.209 50 40 GIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1cccc(O)c1 6025512 ZHLLBEASFANPTR-OAHLLOKOSA-N 399.237 4.307 50 40 GIGB N#C/C(=C(\OCc1ccc(C#N)cc1)c1ccccc1)c1nnc2n1CCCCC2 6049486 WDEDUQLZVFJPEZ-XTQSDGFTSA-N 395.466 4.485 50 40 GIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccco2)o1 6181601 SUHXZMPBXUVWQU-FMIVXFBMSA-N 379.328 4.002 50 40 GIGB Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 6980417 MTEAVKPJRZEXHP-ZMOGYAJESA-N 379.847 4.265 50 40 GIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Cl)ccc1O 30840593 NNLVYSMDOADIFA-QRVIBDJDSA-N 380.831 4.242 50 40 GIGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(F)cc1 36166513 IBVPNQBQBRJSHG-UFFVCSGVSA-N 387.754 4.411 50 40 GIGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)o2)cc1 408755925 PXLBZFPPOPGMII-BUVRLJJBSA-N 399.406 4.199 50 40 GIGB C=CCn1cc(/C=N/NC(=O)c2ccccc2Br)c2ccccc21 20760316 XTULRABJCOHAIR-CIAFOILYSA-N 382.261 4.354 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 20763806 UFFAILGKCQLNHP-WGOQTCKBSA-N 399.450 4.300 50 40 GIGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3Cl)c21 36618841 FBNHNDMLESOTEQ-QGZVFWFLSA-N 392.846 4.347 50 40 GIGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C 658800 PSABGFUXGMNLMW-HXUWFJFHSA-N 396.487 4.323 50 40 GIGB CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OC)c2OC)cc1 1425068 GIYXBVDTRUDYJG-BRABVMKYSA-N 384.476 4.137 50 40 GIGB O=C(NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC1CCCCC1 2281432 VDTHRTFYAAVJFJ-UHFFFAOYSA-N 388.475 4.164 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 2502657 VFSAFWSNAUNDPW-JOCHJYFZSA-N 388.398 4.328 50 40 GIGB C[C@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)cc1 5229449 MZKWYVIIVFQETC-IQGJIOQQSA-N 382.847 4.128 50 40 GIGB Cc1ccc(NCC(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)cc1C 59249849 YEAINUXDEMKFQG-ZMOGYAJESA-N 380.879 4.310 50 40 GIGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(Br)cc2)cc1 409129051 QLLAATUXPGKAGS-XDHOZWIPSA-N 377.307 4.390 50 40 GIGB N#CC1=C(SCC(=O)c2ccc(Cl)cc2)NC(=O)C[C@H]1c1ccccc1 12250090 PKDQHRJLSFGRCM-INIZCTEOSA-N 382.872 4.295 50 40 GIGB N#CC1=CN(c2ccc(OC(F)(F)F)cc2)c2cc(F)ccc2S1(=O)=O 44167148 YYHDPMANIRZUMI-UHFFFAOYSA-N 384.310 4.015 50 40 GIGB N#C/C(=C\c1csc(COc2ccccc2)n1)c1nnc2n1CCCCC2 60421536 CIBNWKJGDFDXEW-RVDMUPIBSA-N 377.473 4.104 50 40 GIGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 408599865 NDRKUBVXPNXKPC-HYARGMPZSA-N 383.448 4.445 50 40 GIGB COc1ccccc1/C=N/NC(=O)CSCc1c(Cl)cccc1Cl 409122118 ZHWINXDYODQTKP-AWQFTUOYSA-N 383.300 4.386 50 40 GIGB N#Cc1ccc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 3251365 POUNOQQXIXXOTA-WGOQTCKBSA-N 391.434 4.175 50 40 GIGB O=C(Cc1ccccc1)N/N=C/c1cc(Cc2ccccc2Cl)ccc1O 4702557 PEQCRNICZUUGQC-BUVRLJJBSA-N 378.859 4.329 50 40 GIGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OC(C)C 6345911 WYQITTPWHYDVMO-SRZZPIQSSA-N 392.908 4.378 50 40 GIGB CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2ccccc2Br)CC1 6615070 MDQSLSREYZSASB-UHFFFAOYSA-N 394.313 4.096 50 40 GIGB Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccccc2O)c2ccccc21 6968846 FYBPNHRNTCSWRV-AFUMVMLFSA-N 383.451 4.468 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(OC)c1 14151870 ZDMONIAAPSQYLK-NTEUORMPSA-N 393.468 4.061 50 40 GIGB N#CC1=C(N)C2=CCCC[C@@H]2[C@H](c2ccc(Br)cc2)C1(C#N)C#N 16034139 AJGNIXQAFVRBAW-YOEHRIQHSA-N 379.261 4.043 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)c(C)c1 20194361 FPRVCKGPMLOZLF-FSJBWODESA-N 395.390 4.304 50 40 GIGB CCOC(=O)CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 103850264 AIYVPUUYGUNNIO-UHFFFAOYSA-N 378.452 4.056 50 40 GIGB CC(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1 1089070 VGBHMJOFCUPTGO-YDZHTSKRSA-N 380.879 4.472 50 40 GIGB N#C/C(=C\c1c[nH]c2ccc(Br)cc12)C(=O)NCc1ccccc1 1104980 RDVZHBXCQFUAPU-RIYZIHGNSA-N 380.245 4.154 50 40 GIGB CCOC(=O)/C(C#N)=C/Nc1ccccc1NC(=S)Nc1cc(C)ccc1C 2650017 KJLSFIUGRVYEOA-DTQAZKPQSA-N 394.500 4.495 50 40 GIGB C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)o1 25582787 FIFUQGBWLDSGDC-FEIUABRGSA-N 396.244 4.466 50 40 GIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)cc1 408796874 PPXDYDLKKZAMGG-MDWZMJQESA-N 375.211 4.326 50 40 GIGB CCOc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(OC)cc2)cc1 408953976 RDHMWAQGIZYWBG-JCMHNJIXSA-N 378.432 4.040 50 40 GIGB Cc1cccc(COc2ccc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)cc2)c1 409201130 NWCXRYDOCCXBGI-LRULAXNGSA-N 383.451 4.332 50 40 GIGB COc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1 409367701 DVAPTPFUTZCBCP-FQEVSTJZSA-N 391.471 4.452 50 40 GIGB Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(Br)s1 1444148 DSOGRBJXBSKRTD-DJKKODMXSA-N 395.322 4.472 50 40 GIGB Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2)cc1 4177281 WDIIUKVTLOCPMY-QHCPKHFHSA-N 384.435 4.498 50 40 GIGB CCOC(=O)N/N=C/c1cccc(OCCOc2ccc(Cl)c(C)c2)c1 4548372 OBSUKYQNQFUHDR-FYJGNVAPSA-N 376.840 4.186 50 40 GIGB CN(CCSSCCN(C)/N=C/c1ccccc1)/N=C\c1ccccc1 5052915 JRCYZTMMANNQDZ-QGFZOGOGSA-N 386.590 4.300 50 40 GIGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Cl)cc1 31849084 GADYBDHFZHVOBF-JJFYIABZSA-N 396.790 4.199 50 40 GIGB C[C@@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 100868303 FLVKQSUCJXTORD-OXUBRWNRSA-N 390.321 4.123 50 40 GIGB COc1cccc(C(=O)N/N=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)c1 208459054 LPYPDIYYWUSLFG-ZVHZXABRSA-N 377.488 4.399 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2C)cc1 408599622 XSIRPTIXWDZELX-LPYMAVHISA-N 376.416 4.075 50 40 GIGB COc1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3[C@H]4CCCC[C@@]43C)o2)c([N+](=O)[O-])c1 408718779 IIXBOOKEPNZPRD-AKBQTTGDSA-N 397.431 4.140 50 40 GIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1OC 408816163 XWYIGGDFOQNXSS-NTEUORMPSA-N 386.835 4.302 50 40 GIGB Cc1nn(-c2ccccc2)cc1/C=N/NC(=O)C(C)(C)Oc1ccc(Cl)cc1 2739378 KUYFVLABJHMFED-YDZHTSKRSA-N 396.878 4.142 50 40 GIGB C/C(=N/NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc(Br)cc1 13647070 VATCVOZVWDLDMM-BKUYFWCQSA-N 397.276 4.302 50 40 GIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC#N)c(Br)c1 408742771 BZYAYTRQCDGQEP-GDNBJRDFSA-N 396.244 4.206 50 40 GIGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc2ccccc2o1 1411799 HOXIQCPCVKCEJH-CIAFOILYSA-N 375.340 4.365 50 40 GIGB N#C/C(=C\c1cccn1CCOc1ccccc1Cl)C(=O)NCc1ccco1 4616476 LSOMJAZYWCCPTA-DTQAZKPQSA-N 395.846 4.037 50 40 GIGB CCn1c(C)nc2cc(C(=O)N/N=C3\C(O)=Nc4ccc(C(C)C)cc43)ccc21 5931558 QKUVGHDPJVBMFP-UHFFFAOYSA-N 389.459 4.224 50 40 GIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)cc1OC 13564510 PCZSZNJROHFGJD-UVTDQMKNSA-N 379.441 4.249 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C(\C)c1ccc(C)c(C)c1 408710679 FBPDGIBDIHRQBG-DEDYPNTBSA-N 375.266 4.229 50 40 GIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)o1 408724994 IBDWAXOFCLQELL-DNFLGLBLSA-N 397.431 4.140 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC 408850258 JQHMMPXTLHXROK-XNTDXEJSSA-N 398.821 4.435 50 40 GIGB Cc1cc(C)n(CCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 947986 LLXBLEUNLBCMNG-ZVHZXABRSA-N 398.551 4.341 50 40 GIGB O=C(CNc1ccc(Cl)cc1)N/N=C/C(Br)=C/c1ccccc1 3671727 NDYGXDJNOKHQAN-ISZZKKSJSA-N 392.684 4.290 50 40 GIGB CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OCC 6672774 IGEOURBRVCGALZ-WSDLNYQXSA-N 378.831 4.431 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 6683888 GLUJTDPNURMJDH-FYJGNVAPSA-N 379.372 4.017 50 40 GIGB C/C(=N\NC(=O)CCSc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 8516779 QPNDBNIJWQZWPX-HYARGMPZSA-N 388.464 4.010 50 40 GIGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408800875 QAEKDQWWVOJMLF-GXDHUFHOSA-N 399.244 4.265 50 40 GIGB CCO[P@](=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1N(C)C 939062 SZSGVTHSLYVBTH-AREMUKBSSA-N 390.807 4.326 50 40 GIGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1 4715660 JOQBJFIZERMLOU-UYRXBGFRSA-N 392.455 4.125 50 40 GIGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)NCc1ccco1 17700102 AJQKZBAQDYSFBX-WOJGMQOQSA-N 376.387 4.221 50 40 GIGB COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCc1ccc(F)cc1 408741797 NULHZEPLIYWZNG-DHRITJCHSA-N 396.393 4.316 50 40 GIGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccccc2[N+](=O)[O-])c1C 408996296 CWVOLSBKHBUTLN-QRVIBDJDSA-N 390.443 4.383 50 40 GIGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 409365908 SIDPFZGRNNYFDO-CIAFOILYSA-N 383.791 4.201 50 40 GIGB Cc1nn(C(=O)NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)c(C)c1Cl 2744746 OSYZKGPCVMDAFW-VZUCSPMQSA-N 397.649 4.152 50 40 GIGB CC(C)(Oc1ccccc1OC(=O)c1ccccc1)C(=O)CBr 3097120 SSXAFKQGGBEXIH-UHFFFAOYSA-N 377.234 4.027 50 40 GIGB O=C(N/N=C/c1ccccc1OCCOc1ccccc1)NC1CCCCC1 4207655 GSPNPIFNRAFKHT-HAVVHWLPSA-N 381.476 4.110 50 40 GIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 20197417 NHRFOIHRNXZVEW-HYARGMPZSA-N 393.399 4.408 50 40 GIGB CCN1CCC(=NNC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)CC1 55079252 KHYJTTRWXFGIHW-UHFFFAOYSA-N 392.528 4.473 50 40 GIGB Cc1ccc(CSCC(=O)N/N=C/c2cccc(Br)c2)cc1 59473090 PXHNCNPCFDZAEV-VXLYETTFSA-N 377.307 4.141 50 40 GIGB CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCc1ccccc1 96577493 ROZVCOHSNDMBSQ-MYYYXRDXSA-N 389.455 4.010 50 40 GIGB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@](O)(CCl)[C@]12C 118928729 LSUMZADQUYYJTQ-RBMXHDPQSA-N 378.940 4.303 50 40 GIGB C[C@@]12[C@@H](Br)[C@H]3[C@H]4[C@@H]1C(Br)(Br)[C@H]1[C@@H]4C[C@@H]3[C@H]12 195528771 KEDQYEQDYKQXQJ-LYYHJFKMSA-N 396.948 4.014 50 40 GIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)n1 408978920 OSNWTXXFBCRSQH-OQLLNIDSSA-N 376.372 4.224 50 40 GIGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)n2c1 408982842 ZLOVSRKMDSCPCJ-AFUMVMLFSA-N 398.466 4.294 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3cccc(OC)c3OC(C)C)cc2c1 409187634 SRVDAHQUTNYUPC-QRVIBDJDSA-N 396.443 4.391 50 40 GIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Cl 409190803 QWDONPJHFXVPQE-UFFVCSGVSA-N 381.646 4.423 50 40 GIGB CCSC1=C(C#N)[C@@H](c2ccc(OC)c(OCc3ccccc3)c2)CC(=O)N1 1102316 QWHDBCXTGACVIJ-QGZVFWFLSA-N 394.496 4.366 50 40 GIGB COc1ccc(C(=O)[C@H](C)Br)c(OCc2ccccc2)c1OC 1662407 COKUZHHQAIDIEG-LBPRGKRZSA-N 379.250 4.249 50 40 GIGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(CSc2ccccc2)cc1 5205806 KIFZLZYRRWEHCB-YDZHTSKRSA-N 390.464 4.472 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c(OC)c1 6170227 KNZOPSHUGUTHMH-BUVRLJJBSA-N 390.439 4.047 50 40 GIGB COc1ccc(/C=C(\C#N)C(N)=S)cc1OCc1c(F)cccc1Cl 33660275 IVEMGFMDUYBELR-KPKJPENVSA-N 376.840 4.260 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C)c1 408870164 VFZADTUZAFFOIV-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB CCOc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1OCC 831141 PSOVZFDHQYYHGP-SITPEIFSSA-N 386.517 4.256 50 40 GIGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c2ccccc21 871934 KVLYPVDRSGHTJI-SFQUDFHCSA-N 387.439 4.059 50 40 GIGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccccc1F 3102856 JZQQRGJDESLBCT-AFUMVMLFSA-N 385.398 4.221 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCC#N 3616247 ZRDFTIDEDVZKFT-XNTDXEJSSA-N 381.819 4.105 50 40 GIGB CCOC(=O)/C(C#N)=C/c1ccc(OCCOc2cc(C)cc(CC)c2)cc1 4599750 OCPYFJBWZLMDST-XSFVSMFZSA-N 379.456 4.485 50 40 GIGB C#CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 6295404 RPDKDMLHNUKIRJ-GDNBJRDFSA-N 383.201 4.433 50 40 GIGB Cc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)n1 33547578 BGOAOHPAXJFZJG-RVDMUPIBSA-N 382.489 4.194 50 40 GIGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(N)=O 59232834 WFBHSOFZZCKTSG-NTUHNPAUSA-N 391.652 4.074 50 40 GIGB CC(C)(C)[C@@H]1CCc2sc(C(=O)NNc3nc(-c4ccncc4)no3)cc2C1 60362605 IVCZMOJFLVUDOY-CQSZACIVSA-N 397.504 4.101 50 40 GIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 408675778 AUGHALZZLQQUFN-NLRVBDNBSA-N 397.478 4.216 50 40 GIGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccco1 409367945 PACYTGUSMULQHR-CIAFOILYSA-N 399.244 4.385 50 40 GIGB O=C(Nc1ccccc1C(=O)NNc1nc2ccccc2s1)c1ccccc1 642817 ONCUYNPQOMSOOR-UHFFFAOYSA-N 388.452 4.306 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OCc1ccccc1Cl 4616850 CHEVUVOQYKNQLY-LICLKQGHSA-N 384.863 4.359 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1cccc(C#N)c1 9201974 CDCHJBUNXXTPEI-CVKSISIWSA-N 399.450 4.218 50 40 GIGB CC(C)CCC[C@H](C)NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 26181635 UWAJCGJBCOFHSL-INIZCTEOSA-N 387.480 4.017 50 40 GIGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(Sc3ccccc3)o2)c1 33663280 JDDBSCGMLSERGV-FYJGNVAPSA-N 379.441 4.153 50 40 GIGB O=C(NNc1nc(-c2ccc(Cl)cc2)no1)C1(c2ccc(Cl)cc2)CC1 84421765 MZQCTNMGGPXVKW-UHFFFAOYSA-N 389.242 4.218 50 40 GIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1 6579694 KLYIOWCNMPPKBE-WSDLNYQXSA-N 382.803 4.151 50 40 GIGB O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 44835447 KIEMZSSMLKTERC-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 59473348 CJTVFOMSHKUWDH-LNOXHEFASA-N 390.892 4.132 50 40 GIGB COc1cc([C@@H]2C(C#N)=C(C)N=C3C2=C(O)c2ccccc23)cc(OC)c1OC 101870554 DGXWFNCPRYDFBB-LJQANCHMSA-N 388.423 4.379 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCCC 409072964 ODCUWABGKSXOIA-QGOAFFKASA-N 392.455 4.464 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc(C)cc(O)n3)o2)cc1 409103554 AGODMBZEGGWRQQ-GXDHUFHOSA-N 392.440 4.089 50 40 GIGB COc1cccc(/C=C(\C#N)C(=O)N2CCCC2)c1OCc1ccc(Cl)cc1 409368265 WBRXPZCHJJQSTA-QGOAFFKASA-N 396.874 4.457 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OC 2165468 OWDVYBHWSDAAIZ-LFVJCYFKSA-N 376.456 4.330 50 40 GIGB CC1(C)CC(NC(=O)[C@]23CC[C@](C)([C@@H]2Br)C3(C)C)CC(C)(C)N1 2448100 VEOCQHPHVDVKDX-BKTGTZMESA-N 385.390 4.002 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Br)c2)C2=C1CCCC2 3095516 BXWNZYJFLUBCNJ-KRWDZBQOSA-N 379.261 4.187 50 40 GIGB Cc1cc(C(=O)NNC(=O)CSC(c2ccccc2)c2ccccc2)c(C)o1 8346336 NRICZFHHKJOLKL-UHFFFAOYSA-N 394.496 4.180 50 40 GIGB O=C(NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccncc1 15273619 QKLIFQDBYPBXIX-UHFFFAOYSA-N 397.887 4.102 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Br)c2)[C@H]2CCCC=C12 20058102 XRDKIBUWSWAVAW-RDJZCZTQSA-N 379.261 4.043 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 408794553 JNHBGSBWOMYRGE-XNTDXEJSSA-N 396.830 4.002 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)Cc1cccc(OC)c1 409018854 ZNTANGZVXGIPNR-JLPGSUDCSA-N 376.456 4.330 50 40 GIGB N#C/C(=C\c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)c1nc2ccccc2[nH]1 4453644 MMNLJJZIZSUZEM-XNTDXEJSSA-N 399.362 4.283 50 40 GIGB CCCOc1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1 31857573 QAPSPBLRBXTEPT-NDENLUEZSA-N 385.514 4.328 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1OCc1cccc(F)c1 409136530 UZPCANUDEJQJSI-QFIPXVFZSA-N 388.398 4.328 50 40 GIGB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(C)C)cc1)C(C#N)=C(N)O2 1057550 RHQLMTRUYXFRQJ-NRFANRHFSA-N 386.455 4.186 50 40 GIGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cc2cc(Br)ccc2o1 4739392 GDFQNHBNFCXMAB-UFFVCSGVSA-N 382.217 4.441 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)o1 6966992 VLWIDRYNUIPFKK-DHRITJCHSA-N 382.423 4.227 50 40 GIGB C/C(=N/NC(=O)c1ccc(CNc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 13882197 DXSPTKAWOUVHTB-JLPGSUDCSA-N 388.427 4.361 50 40 GIGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(C(=O)OCC)cc2s1 20133060 HTDQVTKNVBWWNF-NSHDSACASA-N 399.310 4.365 50 40 GIGB Cc1c(C(=O)NNC(=O)N[C@H]2CCSc3ccc(F)cc32)oc2ccccc12 32795233 YHZADKZEZPPFOZ-HNNXBMFYSA-N 399.447 4.061 50 40 GIGB CCCCOc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1OC 40866671 BQGQDQXHNBXLHS-OEAKJJBVSA-N 384.476 4.020 50 40 GIGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc(Cl)c(Cl)c1 408738169 RHUDHCJHEAVXIS-CNHKJKLMSA-N 388.048 4.225 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC 408966314 ZNYPYGZCYOKRBX-FSJBWODESA-N 380.366 4.267 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(SC#N)c1O 409048177 QWODVLWPJBDVFH-CHHVJCJISA-N 379.441 4.137 50 40 GIGB COc1cc(C=C(C#N)C#N)cc(Br)c1OCc1ccc(C#N)cc1 409143588 HOIUFBLELSVQCN-UHFFFAOYSA-N 394.228 4.339 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)cc3)o2)cc1 409364410 WZVBKNHHNWXMJF-BUVRLJJBSA-N 390.439 4.125 50 40 GIGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 1240623 RCYHPKDEGSRYAD-SFHVURJKSA-N 398.800 4.331 50 40 GIGB COc1ccccc1/C=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 2751828 HMNYESPQCYEIGW-DNTJNYDQSA-N 387.650 4.185 50 40 GIGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)ccc2nc1Cl 4168409 ZPCKUKNYVMYTHY-GOSISDBHSA-N 395.846 4.008 50 40 GIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 5868546 LTHJNWGYEFTRRN-VBKFSLOCSA-N 395.415 4.315 50 40 GIGB Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)N(C)C)cc1 59334946 YVHRDQWMCSXSJZ-YVLHZVERSA-N 399.288 4.332 50 40 GIGB O=C(CBr)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)cc1 98210698 HLLOESJGNGIHCD-SECBINFHSA-N 381.066 4.068 50 40 GIGB COC(=O)c1cc(-c2ccc(/C=N\NC(=O)c3ccccc3)o2)ccc1Cl 408947133 ALHFPHJXUCDQTF-UUYOSTAYSA-N 382.803 4.151 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 409209723 IANGAXBTNPDCPM-WDZFZDKYSA-N 392.198 4.456 50 40 GIGB O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(F)cc1 409261298 CNVVVYQBDQUDMS-SSDVNMTOSA-N 396.249 4.392 50 40 GIGB N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 942487 WIZXJXJGCFXZBP-GHRIWEEISA-N 384.391 4.157 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 1191404 DLHRTEIBJAYNDU-NTCAYCPXSA-N 389.367 4.409 50 40 GIGB CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(Br)s2)cc1 1445106 FNGPJIHIASOYJQ-GIJQJNRQSA-N 381.295 4.163 50 40 GIGB COc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 5827071 IMTDIGKLWHEFCE-LQELWAHVSA-N 377.469 4.182 50 40 GIGB Cc1c(C(=O)NNC(=O)c2ccc(C#Cc3ccccc3)cc2)oc2ccccc12 24714130 DFUNWQAJBPVVDA-UHFFFAOYSA-N 394.430 4.216 50 40 GIGB CCOC(=O)C[P@@](=O)(c1ccccc1)c1ccccc1OCc1ccccc1 97959779 JFRKYEHAZVWCAQ-MUUNZHRXSA-N 394.407 4.143 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@@]43C)o2)cc1[N+](=O)[O-] 408721981 BWNRYVUWOAHLNY-MIOHHHEFSA-N 381.432 4.440 50 40 GIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(Cl)c1 408741203 OKVYEBDKXIRAER-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1n[nH]c2c1CCc1ccccc1-2 9070558 SVVGONUAHGVWQK-LSHDLFTRSA-N 385.254 4.246 50 40 GIGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(OCC)c(OCC)c2)cc1 216068573 BGEQLZNRPFJFHV-XQNSMLJCSA-N 384.476 4.427 50 40 GIGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc1C(=O)O 408852442 FWVTZCQRUGXTLL-WQRHYEAKSA-N 386.407 4.177 50 40 GIGB CCOP(=S)(OCC)Oc1nnc(SC)n1-c1cccc(Cl)c1 2555948 DHYHNIOGADIHFN-UHFFFAOYSA-N 393.858 4.319 50 40 GIGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Nc3oc(OC)nc32)cc1CCC 5792934 JEZJNSFRLWDDNM-QGZVFWFLSA-N 382.464 4.066 50 40 GIGB N#C/C(=C\Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)cs1 6045201 DOUZNRWIAPCQDW-UKTHLTGXSA-N 392.396 4.424 50 40 GIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2I)c1 57395906 WHWFXSJCAWXZOQ-UVTDQMKNSA-N 388.208 4.145 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OCC 408964105 OFWNSSHROXINPX-OEAKJJBVSA-N 394.427 4.169 50 40 GIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC 409052506 UITBWJBBUXNWOQ-SSDVNMTOSA-N 391.254 4.086 50 40 GIGB O=C(NNC(=O)Nc1csc2c1CCCC2)Nc1csc2c1CCCC2 838848 PDIAQFYVADVQIP-UHFFFAOYSA-N 390.534 4.425 50 40 GIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] 1211503 JJWIUOAZQCEQGO-NTUHNPAUSA-N 386.205 4.211 50 40 GIGB CC/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(OC)c(OC)c1 4714609 RDUZBAUXFSBERV-JOJWKMGHSA-N 386.517 4.256 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccco2)sc2c1CC[C@@H](C)C2 5996457 BZMYNBNRCXEHDU-YGYTWAPGSA-N 384.457 4.188 50 40 GIGB CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6050017 BHILEUQEIOOMPF-UFFVCSGVSA-N 378.259 4.206 50 40 GIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(N2CCCC2)cc1 32192932 LNPWPVOBVXVTSV-UUYOSTAYSA-N 392.286 4.123 50 40 GIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H]1[C@@H]2CCCC[C@]21C 100228940 UTXVFOHELIKLAX-FAVJPGRCSA-N 391.309 4.290 50 40 GIGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Cl)s1 408570613 XDTMEOHEKYURKU-GIJQJNRQSA-N 398.962 4.409 50 40 GIGB CCOc1cc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)ccc1O 408725933 JKIKRORXUVHALP-YDZHTSKRSA-N 394.496 4.328 50 40 GIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 408787534 BLEXSFFPDYSYMN-MHWRWJLKSA-N 398.846 4.136 50 40 GIGB C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 409074440 LRIVZQIDROHAKC-QGOAFFKASA-N 390.439 4.240 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nccc(C)n3)o2)cc1 409268974 CEEVQMXYNHETLV-RVDMUPIBSA-N 376.441 4.383 50 40 GIGB CCc1ccc(/C=N/NC(=O)c2ccccc2OCCOc2ccccc2)cc1 3344326 VRRWMIWEJSQGBZ-XIEYBQDHSA-N 388.467 4.471 50 40 GIGB CC(C)(C)[C@H](Br)C(=O)NCCC(=O)Nc1ccc2ccccc2c1 15423158 ODKXCYVWKGRXQO-QGZVFWFLSA-N 391.309 4.094 50 40 GIGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1ccccc1Cl 409387061 NJNVYYVCYOOXQM-ZMOGYAJESA-N 386.927 4.120 50 40 GIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(Br)o2)cc1 1319469 AGGYMJXUFJJZKW-AINDZBIGSA-N 379.254 4.085 50 40 GIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)sc(C)c1C 2669851 DLZHUTJMVDSVKS-MHWRWJLKSA-N 398.484 4.484 50 40 GIGB COc1ccc(Cl)cc1NC(=O)NNC(=O)c1csc2ccccc12 17076870 BTWVWXOLHRRYQS-UHFFFAOYSA-N 375.837 4.030 50 40 GIGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1 408753556 NKUSALBNQHDNOF-OEAKJJBVSA-N 390.443 4.329 50 40 GIGB CCCCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccco3)o2)cc1 409066862 XBKDZFGWJJYNNZ-HMAPJEAMSA-N 380.400 4.260 50 40 GIGB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1 4180666 UEBRXZKVJPRVES-YDZHTSKRSA-N 396.491 4.477 50 40 GIGB COc1cccc([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)c1 4923452 QWDPNJTXEKCPPU-SFHVURJKSA-N 391.496 4.223 50 40 GIGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 5527722 WZWSUDBWPWAWNI-JYQBEENSSA-N 395.242 4.030 50 40 GIGB C/C(CC(=O)NCc1ccccc1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 14923543 FQLGSYYVDNPNAN-ZXVVBBHZSA-N 399.494 4.095 50 40 GIGB N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)N1CCCC1 16437966 UFLQFFCSQRPCMS-FOWTUZBSSA-N 379.847 4.122 50 40 GIGB COc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(C)cc2)C3)cc1 408733415 IUWYTXNEUFMMNC-QFEZKATASA-N 385.467 4.288 50 40 GIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(Br)o2)cc1 1319472 AGGYMJXUFJJZKW-NJDFMEINSA-N 379.254 4.085 50 40 GIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc([N+](=O)[O-])ccc1Cl 18272153 WVULGXIVTWTDSV-AWNIVKPZSA-N 377.791 4.257 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)N2CCCC2)ccc1OCc1ccc(Cl)cc1 33410207 QLHDXYZFOPEHBV-PDGQHHTCSA-N 396.874 4.457 50 40 GIGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 59117336 SXIMSXDNSMPOJT-UKTHLTGXSA-N 375.211 4.464 50 40 GIGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccnc3)cc2)c1 97015691 LRHLGUDLQNJHDD-UNOMPAQXSA-N 385.423 4.215 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1C 107686869 OFSARPFCNFBUQN-YDZHTSKRSA-N 391.427 4.473 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1 408891156 MITZEAOZIRBUKS-LICLKQGHSA-N 379.416 4.484 50 40 GIGB CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C)OCO2 409101682 QJRGDOBWEJVDBQ-MKMNVTDBSA-N 384.819 4.322 50 40 GIGB C=CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1Br 20760623 PEXLEOQRWNZESU-RGVLZGJSSA-N 393.668 4.431 50 40 GIGB Cc1ccccc1NC(=O)[C@H]1[C@H]2[C@H]3C[C@@H]([C@H]2ON1c1ccccc1)[C@H](Cl)C3 217721478 KAQDAEQXVSETDF-MEEZROHZSA-N 382.891 4.386 50 40 GIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(Br)cc1 1102895 DWCOHAPITCARSG-UFFVCSGVSA-N 385.183 4.161 50 40 GIGB C/C(=N\NC(=O)CSCc1ccccc1Br)c1ccccc1 5282459 NSUIJYLJJITUIZ-CPNJWEJPSA-N 377.307 4.223 50 40 GIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1 5512235 BCSHZFYTLJEJRF-BUVRLJJBSA-N 390.439 4.047 50 40 GIGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(NC(=O)c4ccccc4)ccc32)cc1 8917134 BCXXOHXUDWJBDV-JOCHJYFZSA-N 381.435 4.466 50 40 GIGB C/C(=N/NC(=O)c1ccccc1I)c1ccc(Cl)cc1 12403710 VUCJYPIOQWDXRV-ZDLGFXPLSA-N 398.631 4.099 50 40 GIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c(OC)c1 33318251 IAHXCXFQBFKIGD-LGMDPLHJSA-N 379.460 4.096 50 40 GIGB COc1ccc(C(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)cc1 33336506 XAOFBHJKZWKKGR-MYYYXRDXSA-N 383.451 4.462 50 40 GIGB CCc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)cc1 59471548 BIHOQUJTHNGXJA-OEAKJJBVSA-N 385.895 4.470 50 40 GIGB Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408727458 YVEJQYDQZKDVOE-ZMOGYAJESA-N 379.847 4.265 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NC[C@H]1CCCO1 39383919 CJDLYYKEUOZTOA-INDWDQIESA-N 391.254 4.456 50 40 GIGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(N)=O 59225033 XCGKKXJOQOMGJZ-NTUHNPAUSA-N 391.652 4.074 50 40 GIGB C=CCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC 408781376 CRFPYLMXNBWUBI-FMCGGJTJSA-N 378.350 4.043 50 40 GIGB CCC[C](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1 1560410096 DLJKFMNVQBXGHL-UHFFFAOYSA-N 383.269 4.248 50 40 GIGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 985275 KVPKORLSMFVLNI-JTSKRJEESA-N 386.451 4.212 50 40 GIGB Cc1cc(Cl)ccc1NC(=S)NNC(=O)c1ccccc1Br 2783561 OJHFWNDUYXCQCV-UHFFFAOYSA-N 398.713 4.042 50 40 GIGB CCCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 3102881 AHFDXNLRLSVOCC-LFVJCYFKSA-N 395.503 4.468 50 40 GIGB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC)cc1 13496592 YXHFUHKQZRKBOM-LGMDPLHJSA-N 388.496 4.304 50 40 GIGB aggregator CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccccc4)cc3C2)cc1 408734301 PVNYYKXHVSDQPF-MFKUBSTISA-N 385.467 4.369 50 40 GIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)CCc1ccccc1 409049781 YQPVRDAWOPYTGD-KGENOOAVSA-N 387.277 4.097 50 40 GIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(Cl)c1Cl 1305233 NBIAFYIDJXVJQX-UFWORHAWSA-N 380.256 4.377 50 40 GIGB N#CC1=C(N)Oc2c(c(=O)n(-c3ccccc3)c3ccccc23)[C@@H]1c1ccccc1 1428547 SLCLGVJDURPQHT-OAQYLSRUSA-N 391.430 4.209 50 40 GIGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 3174496 UKLTXQUPLBFVRH-DEDYPNTBSA-N 375.266 4.392 50 40 GIGB CC(=O)Oc1cccc(-c2csc(N(/N=C/c3cccc(F)c3)C(C)=O)n2)c1 4478110 FCOSSJLSZLUDIQ-SSDVNMTOSA-N 397.431 4.262 50 40 GIGB O=C(COc1ccc2ccccc2c1)N/N=C/c1c(F)c(F)c(F)c(F)c1F 22010816 QDKACMBVGWFFSH-ZNLRHDTNSA-N 394.299 4.064 50 40 GIGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1C 408589613 MFQCFLPIUKUMDC-UQQIOGDDSA-N 395.890 4.240 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1cccc([N+](=O)[O-])c1 408771609 IEGXFUNWIMUNBN-PDGQHHTCSA-N 392.459 4.358 50 40 GIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccccc2Br)cc1 409125811 FYGKBAAWBMRJGQ-OTGIAGGSSA-N 377.307 4.388 50 40 GIGB CCOC1=C(C#N)[C@@H](c2cccc(Cl)c2)C(C(=O)c2ccccc2)=C(N)O1 1073661 ZCXQEKIVFXSJSK-QGZVFWFLSA-N 380.831 4.279 50 40 GIGB O=C(N/N=c1\oc2ccccc2cc1-c1nc2ccccc2[nH]1)c1ccccc1 1885203 NKJOFPOGWQEQJE-VYIQYICTSA-N 380.407 4.222 50 40 GIGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/C=C/c3ccccc3)cc2)cc1 2020949 TXLHDMJXXZQCPE-JVWXNFGLSA-N 399.450 4.377 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c(O)c1 5261350 QOQPHCGNEIXIAI-BUVRLJJBSA-N 397.519 4.065 50 40 GIGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1 16439521 UFXMXKCMXQZAMY-UKTHLTGXSA-N 375.211 4.326 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc2ccccc2o1 59417743 MKBYSWXLAWTCDB-CIAFOILYSA-N 375.340 4.365 50 40 GIGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc(Cl)c1O 72341362 BIRNBIRHWHSSLD-SSDVNMTOSA-N 384.819 4.067 50 40 GIGB O=C(CCCC[C@@H]1CCSS1)NC1CCN(Cc2ccccc2)CC1 72777396 YEPHEPIDMVGMSV-LJQANCHMSA-N 378.607 4.481 50 40 GIGB biogenic CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@@]43C)o2)cc1 100181980 URKVDFDKNZMMSQ-SYAOEQQNSA-N 394.471 4.400 50 40 GIGB C#CCOc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Br 107869525 BPATUFLNAUVSIZ-YBEGLDIGSA-N 382.213 4.223 50 40 GIGB O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220758826 ZKVPEYITHRFCNA-GDBMZVCRSA-N 395.594 4.442 50 40 GIGB Cc1oc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br 1093300 WRFPDHQBHNPDGA-UBKPWBPPSA-N 376.037 4.421 50 40 GIGB COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OC(=O)c1cccs1 4511859 DVSLUHCBAOJJQH-FYJGNVAPSA-N 395.440 4.132 50 40 GIGB O=C(Cc1ccc(F)cc1)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1 12896419 YHYYRVOMWBVJPQ-OAQYLSRUSA-N 394.471 4.049 50 40 GIGB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)OC(=O)[C@@H]12 101081938 SYIVTYTYMUUORT-YQXZIBMNSA-N 386.447 4.302 50 40 GIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2)o1 409150732 DMBWWXVUGSTUIY-NSMHLIOHSA-N 393.399 4.081 50 40 GIGB Cc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(Cl)c4)CC(=O)N32)cc1 12276074 HPEUZXYMBWVYSM-DYESRHJHSA-N 396.899 4.292 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(F)cc1 13810025 SJACJCFSJXNHBY-PTNGSMBKSA-N 376.343 4.330 50 40 GIGB Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1 15933901 GLHVUJOFFXVNAO-LGJNPRDNSA-N 386.430 4.175 50 40 GIGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1 20033317 NYWIUEKEBSDELG-LJQANCHMSA-N 386.455 4.392 50 40 GIGB COc1ccccc1NCC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 67197089 VLRSCHNYUUXZAB-FSJBWODESA-N 383.835 4.171 50 40 GIGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1c(Cl)cccc1Cl 107780183 DCZCKZUZHZKEKZ-AUEPDCJTSA-N 398.249 4.257 50 40 GIGB CCOc1ccc2ccccc2c1C=NNC(=O)COc1cccc(CC)c1 245241321 AEVKWOFURXBUGA-UHFFFAOYSA-N 376.456 4.330 50 40 GIGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Cl 408792623 BKRYSTBPELJCSB-CXUHLZMHSA-N 398.846 4.054 50 40 GIGB O=C(CCNC(=O)Oc1ccccc1)NN(c1ccccc1)c1ccccc1 409000807 YIJBGWGULCAWMK-UHFFFAOYSA-N 375.428 4.035 50 40 GIGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 409365737 WQZRDUFKDXRNHC-HYARGMPZSA-N 377.400 4.110 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 861471 NBWOBFJQDAJUIX-SSDVNMTOSA-N 398.806 4.070 50 40 GIGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)cc1OC 948276 AEWCTHYXHCFONR-MOSHPQCFSA-N 378.472 4.093 50 40 GIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 1810753 CHMWZWOCYAAXCA-OKACTXMXSA-N 398.488 4.114 50 40 GIGB CC1(C)CC(NC(=O)[C@@]23CC[C@@](C)([C@@H]2Br)C3(C)C)CC(C)(C)N1 4185009 VEOCQHPHVDVKDX-FASAQXTFSA-N 385.390 4.002 50 40 GIGB CCOC(=O)[C@@H](CC(C)C)NCc1ccc(N(CCCl)CCCl)cc1 4821834 OIGIOZBLIDTXFG-GOSISDBHSA-N 389.367 4.038 50 40 GIGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 6998820 AGKOKEJCOPYXLM-JVWAILMASA-N 395.462 4.068 50 40 GIGB O=C(N/N=C\c1cc(Br)ccc1O)C12CC3C[C@H](CC[C@H](C3)C1)C2 17149720 ZLXXQMUQVYKIBV-MUMPFRCKSA-N 391.309 4.211 50 40 GIGB N#C/C(=C/n1c(S)nc2ccc([N+](=O)[O-])cc21)c1nc2ccccc2s1 17223473 QJVUKZARGGNAFA-KTKRTIGZSA-N 379.426 4.365 50 40 GIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Sc2ccccc2)o1 33720754 JVDFHHFZORRODV-MOSHPQCFSA-N 381.413 4.032 50 40 GIGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)C1 45887153 MZIUKPHNVAJZLH-NSHDSACASA-N 375.211 4.267 50 40 GIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)n1 408977422 IWKNAAZISQSCTJ-CIAFOILYSA-N 382.423 4.198 50 40 GIGB C/C(=N\NC(=O)CNc1ccc(Br)cc1)c1ccc(Cl)cc1 409356742 NRPULRVQWBPXHY-RGVLZGJSSA-N 380.673 4.055 50 40 GIGB Cc1cc(C)c(NNC(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)c(C)c1 1680069781 DVFUJBDIRDWXBG-IBGZPJMESA-N 397.910 4.377 50 40 GIGB CN(/N=C(\CBr)c1ccccc1)C(=S)Nc1ccc(F)cc1 4280770 DKAKQMOBZFZYFD-HMMYKYKNSA-N 380.286 4.254 50 40 GIGB CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc(OC(F)F)cc3)ccc21 5160730 ZVCJAPKXXMQKID-WYMPLXKRSA-N 386.402 4.120 50 40 GIGB N#C/C(=C/c1cc2ccccc2nc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 33334798 AORGWCCFUWYJCO-RGEXLXHISA-N 386.411 4.044 50 40 GIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 33671283 MHJQFCIMALDDSM-ZVHZXABRSA-N 388.471 4.125 50 40 GIGB Cc1ccc(OCC(=O)NN=C2CCN(Cc3ccccc3)CC2)c(C(C)C)c1 58158142 SFDWQQOWWQDDIP-UHFFFAOYSA-N 393.531 4.265 50 40 GIGB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCc1ccccc1Cl)[C@H](Br)C2=O 100868276 DGRQQFSPTYGWLX-FSPWUOQZSA-N 398.728 4.115 50 40 GIGB N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(C(=O)O)c1 408542281 KIJDKGAMBIJTRA-PTNGSMBKSA-N 376.343 4.330 50 40 GIGB N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)cc1 409136111 SENUKURPLPXTOQ-WJDWOHSUSA-N 387.252 4.489 50 40 GIGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1OCc1ccccc1F 1106939 CXCOZBFMDPWKRF-QFIPXVFZSA-N 388.398 4.328 50 40 GIGB C[C@@H](Br)C(=O)NP(=O)(Oc1ccccc1)Oc1ccccc1 2144639 KJDBOTROVWHYBM-GFCCVEGCSA-N 384.166 4.152 50 40 GIGB Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1 6628460 QYLXSQWDASARKQ-LICLKQGHSA-N 376.847 4.262 50 40 GIGB CC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19830748 XPVFQOZKSYKSEA-UZUQRXQVSA-N 384.435 4.300 50 40 GIGB O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1ccco1 30814076 SZRGRSRHATZYSZ-MTJSOVHGSA-N 399.244 4.385 50 40 GIGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408792729 BRZNCLAFHIEWDZ-VZUCSPMQSA-N 392.198 4.456 50 40 GIGB COc1cccc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)c1OC(C)C 409012283 QBAQUCTZFNXPIE-HAHDFKILSA-N 377.444 4.037 50 40 GIGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccccc2)cc1)OCO3 409095258 BPXRUPZGLOGYEI-QHCPKHFHSA-N 398.418 4.212 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccn3)c2C)cc1 409232012 MPZWBECPZFWSMY-RGEXLXHISA-N 386.455 4.434 50 40 GIGB O=C(COc1cccc2ccccc12)NNC(=O)c1ccc(-c2ccccc2)cc1 670505 LQRXVLSQFQSVBR-UHFFFAOYSA-N 396.446 4.347 50 40 GIGB O=C(COc1cccc2ccccc12)N/N=C/c1ccc(Br)cc1 1497054 XXKDTHWMSKSQIZ-CIAFOILYSA-N 383.245 4.131 50 40 GIGB Cc1ccc(Cl)cc1NC(=O)CCC(=O)N/N=C/c1ccc(Cl)cc1 3101294 ILDQMSXOAVJICX-SRZZPIQSSA-N 378.259 4.171 50 40 GIGB Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2C1 4922746 IRVHZYHWBLUFGY-MRXNPFEDSA-N 379.460 4.354 50 40 GIGB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)CCCl)c1C 14405647 YLVXBFNCCRBXTD-UHFFFAOYSA-N 376.888 4.120 50 40 GIGB CCOC(=O)/C(C#N)=C(\NCc1ccc(Cl)nc1)SCc1ccccc1 20478077 AKVLZKBZMJQQBI-FBMGVBCBSA-N 387.892 4.056 50 40 GIGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)SCCS1 98064718 QMHOELGNXZCJMH-KGENOOAVSA-N 386.542 4.302 50 40 GIGB O=C(O)c1ccc(N/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1 104385671 QMJQZMRLWXVMAN-BKUYFWCQSA-N 380.275 4.115 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1O 408766275 TWUWXJPSDPPRMW-JYRVWZFOSA-N 387.233 4.099 50 40 GIGB CCCCOc1ccc(C(=O)N/N=C/c2coc3ccc(C)cc3c2=O)cc1 2109941 JDBJUWAWPDAGIV-YDZHTSKRSA-N 378.428 4.044 50 40 GIGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 3192621 CVUSSUXJTLWRPT-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1O 6126788 JZSXAMMTTMHJGK-SRZZPIQSSA-N 399.244 4.080 50 40 GIGB COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(C(C)C)c3ccccc23)c1 8811230 XNRAOTHIWOADJV-YDZHTSKRSA-N 379.460 4.312 50 40 GIGB CC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(F)cc2s1 20132309 ZJCWDXDZWGOQEV-ZCFIWIBFSA-N 396.079 4.310 50 40 GIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408800678 QNPUUEDBALOESL-LZNAANCOSA-N 382.435 4.235 50 40 GIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Sc3ncccn3)o2)c1 409100377 VLIBFHKMAKKBHG-RVDMUPIBSA-N 376.441 4.383 50 40 GIGB COc1cc(/C=N/c2cccc(C(=O)O)c2)ccc1N(CCCl)CCCl 1686176 KCCBMSFXAKKYDO-LPYMAVHISA-N 395.286 4.428 50 40 GIGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1c(Cl)cccc1Cl 5350606 OPRGAYXBHURRJO-CQSZACIVSA-N 384.222 4.053 50 40 GIGB COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)CCl)c12 6659385 MHSAASSNUGEFFT-UHFFFAOYSA-N 388.876 4.159 50 40 GIGB CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\Nc1ccc(C)cc1C 18180635 FRVLRFBPDRPXJD-QNGOZBTKSA-N 385.467 4.051 50 40 GIGB Cc1ccc(Sc2ncccc2C(=O)NNc2nc(C)cc(C)n2)c(C)c1 25325174 YJNOUOGUUGYTSF-UHFFFAOYSA-N 379.489 4.013 50 40 GIGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3cc2O)cc(Cl)c1O 30908515 BIRNBIRHWHSSLD-JJFYIABZSA-N 384.819 4.067 50 40 GIGB O=[P@@](NCCc1ccccc1)(c1ccccc1)c1nc2ccccc2s1 101914528 VICLHUUHPNVUJF-VWLOTQADSA-N 378.437 4.358 50 40 GIGB C=CCc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(OCC)c1O 408969701 SDWLYTKMVOAQPC-YDZHTSKRSA-N 394.427 4.038 50 40 GIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 409116650 LUPKBRDMEALYTC-AINDZBIGSA-N 377.853 4.188 50 40 GIGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 6162457 INYDKJPXHDMHJX-MRXNPFEDSA-N 378.457 4.145 50 40 GIGB N#Cc1ccc(-c2ccc(/C=N\NC(=O)c3cccc(-n4cccc4)c3)o2)cc1 409023490 FERZCKLBILCESP-XYGWBWBKSA-N 380.407 4.373 50 40 GIGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1 409241028 WJWGNMGEOMRCLM-QINSGFPZSA-N 391.814 4.375 50 40 GIGB O=C(c1cccc(F)c1C(F)(F)F)[C@H](Br)CBr 575361143 RNPVTCKSBKRVJK-ZCFIWIBFSA-N 377.957 4.186 50 40 GIGB N#C/C(=C\c1ccc(I)o1)C(=O)Nc1ccc(Cl)cc1 2855135 RDIRIXDXYJYDPZ-VQHVLOKHSA-N 398.587 4.083 50 40 GIGB CCCCCCc1ccc(OCCOc2cccc(/C=N/NC(N)=O)c2)cc1 4590356 YQTVYHKHJIDAPO-JJIBRWJFSA-N 383.492 4.269 50 40 GIGB C[C@@H](Cl)CN1COc2c3c(c4ccccc4c2C1)CN(C[C@@H](C)Cl)CO3 4896183 OMLATFOZEQOHQU-ZIAGYGMSSA-N 395.330 4.398 50 40 GIGB Cc1c(Br)c(/C=N/NC(=O)CC(C)C)c(C)n1-c1ccccc1 20243820 YUEBEJLTVNHCOC-RGVLZGJSSA-N 376.298 4.353 50 40 GIGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(OCc2ccccc2)cc1 30833216 XMQDIKPRAGFZKU-OYKKKHCWSA-N 394.858 4.448 50 40 GIGB COCCNC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12 408817493 UDGSZNJCAHXSHZ-HMMYKYKNSA-N 386.451 4.088 50 40 GIGB Cc1nc2c(o1)NC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Cl)cc1 1073902 SDOFPBRUXNABJO-GOSISDBHSA-N 392.846 4.467 50 40 GIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c1 1251834 BULHFCCDBLWGTF-ZMOGYAJESA-N 377.488 4.448 50 40 GIGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1c(Cl)cccc1Cl)Nc1ccccc12 2322690 RKBPMBRSBNVCNN-MRXNPFEDSA-N 380.238 4.452 50 40 GIGB CCOP(=O)(OCC)[C@H](NC(=O)c1ccc(Cl)cc1)C(Cl)Cl 5462788 XTOQOBWMEKXCJS-ZDUSSCGKSA-N 388.615 4.466 50 40 GIGB COc1cc(Cl)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 8106879 ZILHCXHGKIUHNV-AWQFTUOYSA-N 399.299 4.253 50 40 GIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccc(CSc3nncn3C)cc2)C1 8109493 CZEODAOAIWWXQG-BUIMCUSZSA-N 395.532 4.126 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NC1CCCC1 33927745 VSBAZUIBKXUSFX-UKTHLTGXSA-N 384.819 4.264 50 40 GIGB CCc1c(C(=O)NNc2cccc(Cl)c2)cnn1-c1cccc(Cl)c1 36820899 PLUVUUHCPZXEHO-UHFFFAOYSA-N 375.259 4.498 50 40 GIGB CCOC(=O)/C(C#N)=C(O)/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1 102958363 CACCUOTYGLYOLP-VZZSTEPBSA-N 396.830 4.010 50 40 GIGB [O-][N+]([C@H]1[C@H]2C[C@@H]([C@H]3CC=C[C@@H]32)[C@H]1Cl)=[N+]([O-])[C@H]1[C@@H](Cl)[C@@H]2C[C@@H]1[C@H]1C=CC[C@H]21 104236594 ULTDDMMLHKVFET-QNEYWRBVSA-N 395.330 4.095 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 108206522 PPCIIVIYFKUBHS-JYRVWZFOSA-N 387.233 4.012 50 40 GIGB C[C@@]12[C@H](Br)[C@H]3[C@H]4C[C@H]5[C@H]3[C@H]1C(Br)(Br)[C@H]5[C@@H]42 245266574 KEDQYEQDYKQXQJ-CDHWDVSSSA-N 396.948 4.014 50 40 GIGB Cc1c(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(Cl)nn1-c1ccccc1 408895840 WAKPFOCTSQVTKB-IKMPRTQCSA-N 398.919 4.465 50 40 GIGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccccc1Cl 1436348 PUFVXKUYXYUMEN-WYMPLXKRSA-N 395.846 4.087 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)O)c3ccccc23)cc1Cl 4711022 VJQHXMSVOKBQQH-RIYZIHGNSA-N 393.830 4.233 50 40 GIGB N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(F)cc1F 40139672 IPNGNLOWXRANDL-NTUHNPAUSA-N 384.773 4.350 50 40 GIGB CC1=NN(c2cccc(Cl)c2)C(=O)[C@H]1/C=C(\C#N)c1nc2ccccc2[nH]1 100962873 DQAHRSICTAZPGV-WQMJKPAKSA-N 375.819 4.162 50 40 GIGB [O-][N+]([C@H]1[C@H]2C[C@H]([C@H]1Cl)[C@@H]1CC=C[C@@H]21)=[N+]([O-])[C@H]1[C@@H](Cl)[C@@H]2C[C@@H]1[C@H]1C=CC[C@H]21 104236579 ULTDDMMLHKVFET-DFOHNKTGSA-N 395.330 4.095 50 40 GIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OC)c1 408802700 GFURCMOEZAUWRP-VZUCSPMQSA-N 393.226 4.262 50 40 GIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1 408807152 OISXJWPQKSJIBE-GZTJUZNOSA-N 380.444 4.345 50 40 GIGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc([N+](=O)[O-])c1O 50704711 VLCOOTXIPWAURU-AUWJEWJLSA-N 378.388 4.256 50 40 GIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(C(=O)O)cc2)c1 409243415 WHHVFIIHIIGBLL-AQTBWJFISA-N 385.423 4.338 50 40 GIGB CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)N3CCCC3)o2)ccc1Cl 409368303 RSSZSPLEEZFVBO-RVDMUPIBSA-N 398.846 4.306 50 40 GIGB CCOc1ccc(CCCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1 4106453 UYXOUDXYCPDSND-LFVJCYFKSA-N 377.488 4.358 50 40 GIGB C=CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(OC)cc(OC)c1 8811196 SWXWKOJFXVLLCB-BUVRLJJBSA-N 390.439 4.186 50 40 GIGB COc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2C)c1 33616219 MEWYMMZZEKGLEV-LDADJPATSA-N 387.439 4.354 50 40 GIGB O=C(COc1ccccc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408527241 FNRKUPLIANAJSR-ZVHZXABRSA-N 394.858 4.448 50 40 GIGB COc1cc(N2Cc3ccccc3C2)ccc1/C=C(\C#N)C(=O)NCc1ccco1 781403 WBAMJITXUHIYHP-RGVLZGJSSA-N 399.450 4.032 50 40 GIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1O 1174036 GKRWCGSOSFTFJM-SFQUDFHCSA-N 378.428 4.074 50 40 GIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1320256 JRSZBSDRJPWFHT-SRRANQMSSA-N 389.839 4.291 50 40 GIGB N#CC1=C2SCN(CCc3ccccc3)CN2C(=O)C[C@H]1c1ccc(F)cc1 20348063 UIBHHTWZCPBRQK-IBGZPJMESA-N 393.487 4.083 50 40 GIGB O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 59101682 ZPQWNFQPMRPIJS-SSDVNMTOSA-N 386.238 4.235 50 40 GIGB O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 95707849 JSDBFOSAQSKPPJ-UHFFFAOYSA-N 382.503 4.491 50 40 GIGB Cc1cc2c(cc1C)CN(c1ccc(/C=N/NC(=O)c3ccccc3O)cc1)C2 408734210 CUPQSNFPQIRTPN-DHRITJCHSA-N 385.467 4.293 50 40 GIGB COc1cccc2cc(C(=O)N/N=C/c3ccc(N4CCCCC4)cc3)oc12 408961036 QDGOLHDRKKVYHE-HZHRSRAPSA-N 377.444 4.196 50 40 GIGB Cc1c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc(N2CCCC2)c1C 7387025 FUTVXPKFCQJGKR-KOEQRZSOSA-N 390.531 4.268 50 40 GIGB CCOC(=O)NNC(=O)c1sc2cccc(F)c2c1COc1ccccc1 36800870 REBISRWJJJDHBO-UHFFFAOYSA-N 388.420 4.010 50 40 GIGB C/C(=N\NC(=O)c1cc(Br)c[nH]1)c1cc(F)c(Cl)cc1Cl 61459073 ZIAIPNWSVXECKN-KPSZGOFPSA-N 393.043 4.377 50 40 GIGB O=P(C(=S)N[C@@H]1C[C@@H]2C[C@@H]1[C@H]1C=CC[C@H]21)(c1ccccc1)c1ccccc1 100013725 YSKJWRGCOCIJFA-GVJIXFOXSA-N 393.492 4.476 50 40 GIGB CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 122118580 KJZFCRKXKZWGNY-XCFSVVGJSA-N 375.557 4.195 50 40 GIGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)o1 408724997 IBDWAXOFCLQELL-LYFOMMBQSA-N 397.431 4.140 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1OCC 408861524 SFMOOIBKRNQVEF-UDWIEESQSA-N 391.265 4.010 50 40 GIGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 408950484 FMBLCKHFYZCVAE-XIEYBQDHSA-N 397.482 4.098 50 40 GIGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)o1 408995742 NAZNYEURTPSTBZ-HYARGMPZSA-N 379.485 4.402 50 40 GIGB O=C(CNC1CCCCC1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 409387105 NSBDXRCELWSLET-AFUMVMLFSA-N 399.922 4.291 50 40 GIGB N#CC1=C(SCc2ccccc2)NC(=O)[C@H](C#N)[C@@H]1c1ccccc1Cl 16975343 HXZYZFWYIHGJJH-QAPCUYQASA-N 379.872 4.362 50 40 GIGB O=C(NCc1ccc(NC(=O)C2CC2)cc1)NNc1ccc(Cl)cc1Cl 23174366 FMCGUEJTFANKJO-UHFFFAOYSA-N 393.274 4.168 50 40 GIGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1C 32138875 JHXHTUMJTQBSSR-WAGPWIPHSA-N 397.906 4.258 50 40 GIGB CCOc1cc(/C=N/NC(N)=O)cc(Cl)c1OCc1cccc2ccccc12 58823096 ARWZQCGLLHWMFM-WYMPLXKRSA-N 397.862 4.473 50 40 GIGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 58883471 AVSXOWUDDCATLP-SSDVNMTOSA-N 392.286 4.380 50 40 GIGB Cc1c(/C=N/NC(=O)c2ccco2)c2ccccc2n1Cc1ccc(F)cc1 408589306 LGVVEQKQJRROPD-ZMOGYAJESA-N 375.403 4.494 50 40 GIGB COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1 408748132 YXEJSARZHXYENF-LCYFTJDESA-N 387.233 4.012 50 40 GIGB COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 409246308 ARENECOHYRCFBS-GHXNOFRVSA-N 391.305 4.168 50 40 GIGB Cc1cc(C)c(CSc2ccc(Br)cc2)cc1/C=N/NC(N)=O 2727570 PXODVEVMMDNGCY-AWQFTUOYSA-N 392.322 4.360 50 40 GIGB C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)c1cc(Cl)ccc1O 4358536 QVJKFSHQEFTCSH-OEAKJJBVSA-N 387.867 4.105 50 40 GIGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1cc(Cl)ccc1Cl 6209689 ZPHXEWMHANRZIM-KPKJPENVSA-N 391.210 4.002 50 40 GIGB N#C/C(=C\c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 7000824 GEFFCBHVILZCFV-OQLLNIDSSA-N 382.666 4.441 50 40 GIGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(Cl)c(Cl)c2)cc1 32565547 SESXQXZXAWJYHM-YVNNLAQVSA-N 389.242 4.156 50 40 GIGB O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)Nc1ccccc1 408854686 BHZCRCKIHWSRLL-MOSHPQCFSA-N 383.249 4.395 50 40 GIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2c(C)cc(C)cc2nc1Cl 898814 LSNFDVOLNYHZPN-GOSISDBHSA-N 397.862 4.150 50 40 GIGB COc1cccc(-c2ncnn2C2=C(C#N)[C@H]3CCCCC[C@@H]3S2)c1OC 5019065 BFMYFHPWNWDPDO-DYVFJYSZSA-N 382.489 4.350 50 40 GIGB CC1=C(C#N)C(=O)N=C(O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 5198959 YNZCRCZSAISAMR-GHXNOFRVSA-N 383.747 4.228 50 40 GIGB Cc1cc(C(=O)NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c(C)o1 5272412 WWHDFIIGFKNKSE-IBGZPJMESA-N 380.469 4.191 50 40 GIGB N#CC1=C(N)C2=CCCC[C@H]2[C@@H](c2ccc(Br)cc2)C1(C#N)C#N 5729314 AJGNIXQAFVRBAW-RHSMWYFYSA-N 379.261 4.043 50 40 GIGB COc1ccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1OC 8158398 QXYYDZUBQRNFJB-UHFFFAOYSA-N 376.456 4.051 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 15145857 DNXHYDIGUUSDAI-FYJGNVAPSA-N 379.372 4.017 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc([N+](=O)[O-])c1O 36089024 HOIQFLQWILEZRE-LZYBPNLTSA-N 389.367 4.008 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc([N+](=O)[O-])c1O 44027368 UQKHVAGSJDXAJV-NYYWCZLTSA-N 397.774 4.234 50 40 GIGB CN1CCC(=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 55082685 WXKJDXKZFNJYLX-UHFFFAOYSA-N 392.890 4.367 50 40 GIGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)N(C)C)cc2Br)c1 59333912 DXYIYUDPXBGKJS-YVLHZVERSA-N 399.288 4.332 50 40 GIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 5685020 UYLILNVDFFHIFD-MFKUBSTISA-N 384.414 4.442 50 40 GIGB Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3nc(C)cc(C)n3)c2c1 37137079 HMXIQIIGNQDWRV-UHFFFAOYSA-N 383.455 4.374 50 40 GIGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1O 44506007 YWSRPJJBYCOKCI-SDQBBNPISA-N 384.233 4.412 50 40 GIGB COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 408760598 BLFFFTGOPZBPBN-IWIPYMOSSA-N 375.472 4.104 50 40 GIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 408888193 XUGKVQDRVFLDPT-SFQUDFHCSA-N 378.432 4.295 50 40 GIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1 409132832 LVLVKSYIXDTANM-UGVMZYNRSA-N 386.542 4.120 50 40 GIGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC 409199033 ATNZXNDJLYVKKN-NTUHNPAUSA-N 389.205 4.439 50 40 GIGB O=C(CSc1ccc(Cl)cc1)NN=C1CCN(Cc2ccccc2)CC1 409330614 LBMLHLPGIPBLOU-UHFFFAOYSA-N 387.936 4.200 50 40 GIGB O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccccc1Cl 3256550 SAIAEDBUCITVOH-AWQFTUOYSA-N 376.641 4.348 50 40 GIGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCCC)cc1OCC 6324729 SOWSKGOUMSQPMB-KQWNVCNZSA-N 382.460 4.203 50 40 GIGB O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccccc1Cl 6672710 CERDHJPIAUWQKK-GZIVZEMBSA-N 390.720 4.307 50 40 GIGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 6813162 OSXXPFCMJMADJG-SFHVURJKSA-N 392.459 4.368 50 40 GIGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(Br)c1 59333575 OYDUTWWYMNQDBE-YBEGLDIGSA-N 385.261 4.023 50 40 GIGB N#C/C(=C\c1ccccc1)C(=O)Oc1ccc(C(=S)N2CCCCC2)cc1 408752170 GOUKXLZEODJRFQ-XDJHFCHBSA-N 376.481 4.361 50 40 GIGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 409014355 XMAKYRJYCKKFDZ-IFRROFPPSA-N 381.650 4.367 50 40 GIGB O=C(Cc1cccc2ccccc12)N/N=C/c1cccn1-c1cccc(C(=O)O)c1 409093938 BUPVTLUWEWFWET-PCLIKHOPSA-N 397.434 4.022 50 40 GIGB Cc1ccc(SCCC(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1 409142489 KNVSEHDUHJAYDM-CIAFOILYSA-N 386.542 4.122 50 40 GIGB N#C[C@H](C(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccccc1 409195580 RATGXBZMTVGLQV-YYHBXHNPSA-N 387.414 4.162 50 40 GIGB O=C(N/N=C/c1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 1434186 XPQLITVSOIGZCU-OEAKJJBVSA-N 377.831 4.356 50 40 GIGB Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 4714507 RZUGOGCBEKCWJC-UUYOSTAYSA-N 393.399 4.001 50 40 GIGB ClCCOc1cc(Br)c(OCCCl)cc1Br 5749095 IGJLUNFUSYBNGH-UHFFFAOYSA-N 392.902 4.447 50 40 GIGB in-vitro CC(=O)Nc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 7167061 WUBMZCLDKIBTMF-OVCLIPMQSA-N 395.267 4.290 50 40 GIGB C/C(=N\NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1scnc1C 98054678 YMEBCKFPKULLHY-YDZHTSKRSA-N 376.441 4.414 50 40 GIGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1C1CCCC1 408772322 OEAVCJOCHVZAMU-FVCDEYCHSA-N 398.514 4.428 50 40 GIGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1C 408995980 CHEAUDBVXSIESM-QRVIBDJDSA-N 390.443 4.383 50 40 GIGB Cc1ccc(O)c(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c1 1055645 MHMBSPFILXXEAE-WSDLNYQXSA-N 397.272 4.309 50 40 GIGB N#CC1=C(N)C2=CCCC[C@H]2[C@H](c2ccc(Br)cc2)C1(C#N)C#N 4730345 AJGNIXQAFVRBAW-PBHICJAKSA-N 379.261 4.043 50 40 GIGB N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)NCCc1c[nH]c2ccccc12 4812157 YMVMNJKSEHIUJV-PGMHBOJBSA-N 398.510 4.424 50 40 GIGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccc(Br)c1 5381787 LNCYVURTLVXJQK-VCHYOVAHSA-N 396.082 4.366 50 40 GIGB Cc1cccc(N2CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N3C2)c1 6746240 WXELDYIUNMYZEP-GOSISDBHSA-N 379.460 4.354 50 40 GIGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1sc2ccccc2c1Cl 9883994 KDMYTNWBDXTTRB-UHFFFAOYSA-N 395.267 4.292 50 40 GIGB Cc1ccc(COc2cccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 408567210 KUUJUBFVXPSYLQ-UCQKPKSFSA-N 389.411 4.246 50 40 GIGB CC/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 408827576 KULOTNIVPGPXFJ-LTGZKZEYSA-N 392.908 4.380 50 40 GIGB Cc1ccccc1Cn1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 409258805 VZYASNMFKBUEMC-ZDXRRBIGSA-N 397.478 4.182 50 40 GIGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)o1 4511290 USUJTODAMVNMTP-WSDLNYQXSA-N 382.803 4.151 50 40 GIGB COc1cccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c1OC 7986220 MNHYLZNUYLJHES-MDWZMJQESA-N 398.267 4.349 50 40 GIGB O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1cccc([N+](=O)[O-])c1 17644000 BBXXVQYDHCGKCY-YDZHTSKRSA-N 393.374 4.077 50 40 GIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 20885092 ZEVWFCUMHHUHMM-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Sc2ccccc2)cc1 33468236 NNBOZURJSLXCAA-JCMHNJIXSA-N 391.452 4.439 50 40 GIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(CC)CC)c2C)cc1 408788317 DQOVMKVCIZILTR-ZHZULCJRSA-N 393.487 4.046 50 40 GIGB O=C(c1ccc(F)cc1C(F)(F)F)[C@@H](Br)CBr 575361039 OVDOVOPNLAQRQO-QMMMGPOBSA-N 377.957 4.186 50 40 GIGB N#C/C(=C\c1ccc(N2Cc3ccccc3C2)cc1)C(=O)NCc1cccs1 781453 TVLRSKOMNHIHBE-UDWIEESQSA-N 385.492 4.492 50 40 GIGB O=C(COc1cccc2ccccc12)N/N=C\c1ccc(N2CCCCC2)cc1 38201646 BDRVDENERRILOV-UQQQWYQISA-N 387.483 4.359 50 40 GIGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OC 408965961 YBAGABBTMBNHBV-LSFURLLWSA-N 386.757 4.140 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3O)o2)cc1Cl 409086397 ZKBOEXGYNWASNN-UFFVCSGVSA-N 399.790 4.286 50 40 GIGB FC(F)(F)Oc1cc(CBr)ccc1I 616576674 XOFDESNVPFMCJI-UHFFFAOYSA-N 380.929 4.085 50 40 GIGB O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N/N=C/c1cccnc1 4315060 XLPNDYUVYSKRPK-CVKSISIWSA-N 389.499 4.079 50 40 GIGB CC(C)N1C(=O)/C(=N\NC(=O)c2sc3ccccc3c2Cl)c2ccccc21 5625183 ANKDHGZJSTYNIW-XLNRJJMWSA-N 397.887 4.444 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 5894168 YUBOPZRRKNSMKF-WSDLNYQXSA-N 396.834 4.420 50 40 GIGB CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2C1 6746309 UFFLKZZDTDHXKB-QGZVFWFLSA-N 391.496 4.305 50 40 GIGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 33498410 WMEQEUWHKIZZHR-QCDXTXTGSA-N 393.182 4.429 50 40 GIGB C=CCOc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1 59471526 QWCKHYCWPKVLJO-SRZZPIQSSA-N 379.243 4.087 50 40 GIGB C[C@]12[C@@H](Br)[C@H]3[C@H]4[C@@H]1C(Br)(Br)[C@H]1[C@@H]4C[C@@H]3[C@H]12 195528772 KEDQYEQDYKQXQJ-ZCFFMFOXSA-N 396.948 4.014 50 40 GIGB N#C/C(=C\c1ccccc1OCc1ccccc1C#N)C(=O)NCc1ccccc1 408925458 LBEUHAZFOYULIZ-OEAKJJBVSA-N 393.446 4.361 50 40 GIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)n1 408978441 MCTKZNBLPXVSRE-XDHOZWIPSA-N 375.403 4.465 50 40 GIGB COc1cccc(/C=N/NC(=O)c2ccco2)c1OCc1ccc(Cl)cc1 409091233 RWSVINAECASVAL-WSDLNYQXSA-N 384.819 4.285 50 40 GIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(Cl)cc1 409360201 DFRSHMKSTRLORH-ZMOGYAJESA-N 381.863 4.454 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccccc1F 409368581 CRXUEBNLCJBPAM-CPNJWEJPSA-N 394.446 4.333 50 40 GIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)cc1 1319276 OWFABHUXCTZHJP-STCDJXRXSA-N 389.293 4.492 50 40 GIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(CC(=O)O)c2ccccc12 4090743 HQZJMAPBPQRLPO-RIYZIHGNSA-N 393.830 4.233 50 40 GIGB Cc1ccc(SCCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)cc1 7061793 WXUIZZIFYWQOMU-HZHRSRAPSA-N 392.528 4.430 50 40 GIGB Cc1cc2nc(/C(C#N)=C/c3ccc(SCCO)c([N+](=O)[O-])c3)[nH]c2cc1C 9235973 XUWPGXBBJBGPEH-OQLLNIDSSA-N 394.456 4.237 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1 14152071 SPRJUPSYEPYUSM-XNTDXEJSSA-N 377.469 4.361 50 40 GIGB CC/C(=N\NC(=O)CSCc1ccc(C)cc1)c1ccc(OC)c(OC)c1 59473164 SRCQXTLAUDYHGS-RELWKKBWSA-N 386.517 4.176 50 40 GIGB Cc1cc(C)c(C(=O)OC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](C)N3)cc1C 102625191 KHJWUTFDVWLNEL-DOMZBBRYSA-N 395.381 4.113 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 409369706 FBJZEZKAPMEIRY-AFUMVMLFSA-N 393.874 4.481 50 40 GIGB C/C(=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1cccc([N+](=O)[O-])c1 1316671 JYFMMDFGJYMTBK-UCQKPKSFSA-N 399.410 4.292 50 40 GIGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(Cl)cc1Cl 1499471 XNJXJYNFPJMVNF-CNHKJKLMSA-N 388.048 4.225 50 40 GIGB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@H]12 4025842 ZAWRSOOFVJIHLN-VBEQINLCSA-N 391.305 4.411 50 40 GIGB biogenic CO/C=C/[C@@H]1[C@H](c2ccccc2)C(C#N)=C(c2ccccc2)OC1(OC)OC 4568191 DAEDNFRBFGAXAQ-YBYKEUDPSA-N 377.440 4.458 50 40 GIGB Cc1cc(C(=O)N/N=C/c2cc(/N=N/c3ccc(C)c(C)c3)ccc2O)[nH]n1 6187926 GVGFVKRUOVCCBG-SENGRVHDSA-N 376.420 4.220 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)NCc2cccs2)o1 6216136 YLKZXGANDASYBV-NTEUORMPSA-N 393.424 4.448 50 40 GIGB CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C#N)cc2)cc1 20764486 VWYHUYYVLALSNW-WGOQTCKBSA-N 399.450 4.300 50 40 GIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1C 59401595 HHQUXAXBBOIGBM-LPYMAVHISA-N 376.416 4.075 50 40 GIGB N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)c1ccccc1F 108149910 KJTNTNHXRZCPKH-GHXNOFRVSA-N 376.181 4.116 50 40 GIGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc1[N+](=O)[O-] 208368512 UNCYRXWOJBKOJY-WQRHYEAKSA-N 387.395 4.387 50 40 GIGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OC 408599055 NZQDGEZDMMCOHV-KPKJPENVSA-N 382.401 4.145 50 40 GIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 409365766 RXUZCNURQLKNQK-SSDVNMTOSA-N 398.806 4.070 50 40 GIGB COc1cc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc(OC)c1OC 1445252 BCBQXOQYFCKTER-UHFFFAOYSA-N 382.460 4.156 50 40 GIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 5883878 JEUQMUUXMZDNLY-IBGZPJMESA-N 386.455 4.392 50 40 GIGB N#C/C(=C\c1ccc(C(=O)O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 7981568 FTKFVCAAGXFYLO-NTUHNPAUSA-N 382.224 4.030 50 40 GIGB O=C(COc1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 58927908 XDMASTQMEQFPJB-ZVHZXABRSA-N 394.858 4.448 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1-c1ccc(N(C)C)cc1 408739568 CSBRQWWWAXRTLT-ZVHZXABRSA-N 378.451 4.063 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br 408755092 TXNZBQJLKHMGPY-VXLYETTFSA-N 381.657 4.265 50 40 GIGB CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NCc1ccc(OC)cc1 408816557 WJCSGZGDJFGIHG-RGEXLXHISA-N 386.451 4.470 50 40 GIGB CCn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21 408965787 LZSMSOAUTNLXEL-SRZZPIQSSA-N 376.372 4.080 50 40 GIGB O=C(N/N=C/c1cccn1-c1ccccc1F)c1cc2cc([N+](=O)[O-])ccc2o1 408966507 OWRXDTSXEUXFOS-WSDLNYQXSA-N 392.346 4.035 50 40 GIGB CC/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 409140495 FOWUFLPNNMSYNB-JOJWKMGHSA-N 386.517 4.423 50 40 GIGB Cc1ccc(COc2ccc(/C=N/NC(=O)CNc3ccc(F)cc3)cc2)cc1 409364650 XUGBUANBDWNYTP-VULFUBBASA-N 391.446 4.275 50 40 GIGB O=C1c2ccccc2C(=O)c2cc(C(Br)Br)ccc21 4127755 KMINCYHZTSCUET-UHFFFAOYSA-N 380.035 4.250 50 40 GIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@H]2C1 4473467 GFOGUBRWYBBOHI-PUECVXPYSA-N 393.288 4.289 50 40 GIGB Cc1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c(O)c1 6203860 KZDXDDSJBLHATM-WSDLNYQXSA-N 397.272 4.309 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59302981 PXQDTHGKINRTGO-FSJBWODESA-N 395.846 4.210 50 40 GIGB COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C 408806045 AHUPXAFINHPQRC-HYARGMPZSA-N 387.483 4.307 50 40 GIGB CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)cc1 656707 KIXVUARLPBWABG-QOSBVPTNSA-N 382.847 4.415 50 40 GIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C)c1C 1453418 ZOAJJXACOVXSDS-XNTDXEJSSA-N 384.457 4.096 50 40 GIGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)C2 8336787 JBEWISOCWFQNGV-GZIVZEMBSA-N 376.287 4.076 50 40 GIGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 59515555 CNJSTANCLQYDDA-DNTJNYDQSA-N 384.650 4.044 50 40 GIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1 408807993 IQIQJMGQFBAMRF-LFIBNONCSA-N 398.846 4.136 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 5533191 AOUVXHKPVSWXMU-ZVHZXABRSA-N 375.472 4.483 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c(C)n1-c1ccccc1 13038392 IWJDNVQJBDNZOC-CPNJWEJPSA-N 385.423 4.338 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)OC(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 13635740 ALTISEULIXAKRY-YVLHZVERSA-N 396.399 4.041 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccccn2)c1C 33716622 WGVSRJGJZQBUHM-CVKSISIWSA-N 398.466 4.415 50 40 GIGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc1Br 408785936 KBNAIJYZUVUVEK-SDQBBNPISA-N 383.673 4.099 50 40 GIGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)Oc1ccccc1 1465013 WINVRNQXOBBUCY-HZHRSRAPSA-N 390.395 4.037 50 40 GIGB COc1cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)ccc1OC(C)C 2317451 TURZKFJMPUMFPC-YDZHTSKRSA-N 377.444 4.103 50 40 GIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Br)c2)C2=C1CCCC2 3095517 BXWNZYJFLUBCNJ-QGZVFWFLSA-N 379.261 4.187 50 40 GIGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1)C(N)=S 3239358 RVINKIUVCXDFDW-GXDHUFHOSA-N 396.422 4.334 50 40 GIGB N#CC1=C(N)Oc2n[nH]c(C34CC5CC(CC(C5)C3)C4)c2[C@H]1c1ccccc1F 4631704 WJFXLUWRVLUNTA-KGLSSGQOSA-N 390.462 4.235 50 40 GIGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl 4720890 GZEUFFWZGZDRKK-DNTJNYDQSA-N 387.650 4.185 50 40 GIGB Cc1ccc(-c2cc(C(=O)NN=C3CCN(C)CC3)c3ccccc3n2)s1 55079142 BXUVBHBGERTXEH-UHFFFAOYSA-N 378.501 4.083 50 40 GIGB CCC[C@H](NC(=O)/C(C#N)=C\c1cccc(Br)n1)c1ccccc1 95567909 LIDOPKHSVQTSJY-KSVUCXBSSA-N 384.277 4.409 50 40 GIGB in-vitro Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1cccc2ccccc12 408587433 FWVYHNLDPYNCNU-NHVVDLMHSA-N 397.478 4.431 50 40 GIGB CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br 408753756 CIMYAHNIVOEOKA-DHDCSXOGSA-N 399.244 4.229 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1OCC 408815229 IUCSVMVEGYDBNF-LFIBNONCSA-N 386.879 4.107 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccccn2)cc(C)c1OCc1ccc(F)cc1 408852787 IFNPRHBYSSCZAB-DHRITJCHSA-N 377.419 4.180 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(SC#N)c1O 409055599 JMDFBKZDROWYME-XGICHPGQSA-N 385.832 4.173 50 40 GIGB Cc1cccc(OCCn2cc(/C=N/NC(=O)c3ccncc3)c3ccccc32)c1 1294614 LFNJALJAWGBIGQ-WGOQTCKBSA-N 398.466 4.188 50 40 GIGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1O 1453925 OKIGDUWKWOQLLW-UKTHLTGXSA-N 387.233 4.099 50 40 GIGB C/C(=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1)c1cccc(O)c1 1469113 KNZDULMWHYSZNN-FBHDLOMBSA-N 389.242 4.243 50 40 GIGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Nc2ccccc2)o1 3210712 GYQAHHLWXCAOKP-UDWIEESQSA-N 380.360 4.019 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1C 9233621 YVOBTMOWOFUHAT-LDADJPATSA-N 390.443 4.358 50 40 GIGB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)OC(=O)[C@@H]12 108507243 SYIVTYTYMUUORT-OUYJLQGDSA-N 386.447 4.302 50 40 GIGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 408805635 BERLVFFLJMSMFY-LFIBNONCSA-N 380.831 4.215 50 40 GIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 409362338 JAYVSHRCVCCINZ-SSDVNMTOSA-N 398.806 4.070 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409383222 UZCPZSPCQRWWIG-AFUMVMLFSA-N 393.874 4.481 50 40 GIGB CCOC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1CC(C)C 841812 LBPTXUPPQYUJEP-KRWDZBQOSA-N 398.528 4.440 50 40 GIGB CC(/C=N/NC(=O)c1nn(C)cc1Br)=C\c1ccc(C(C)C)cc1 1086779 OYHLBBGXMOYYHG-RDPKOCKBSA-N 389.297 4.125 50 40 GIGB Cc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc(C)c1O 13148859 GKCMSDGUXFEELQ-CXUHLZMHSA-N 392.274 4.110 50 40 GIGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccc(Cl)cc1 13764824 ALRKJBYJESKBOJ-WYMPLXKRSA-N 395.846 4.087 50 40 GIGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1Cl 16439214 XMLOPXZWJOQIAB-KPKJPENVSA-N 391.210 4.002 50 40 GIGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NC[C@H]1CCCO1 26964608 UBVDXNURHAPHQS-LDCOFTPGSA-N 391.254 4.456 50 40 GIGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1 33872722 KYPPUCLZTSEMPI-YDRQLGOLSA-N 385.261 4.242 50 40 GIGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(C)c1O 105809366 XOIICOGTCBHIFY-UKWGHVSLSA-N 387.233 4.282 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c(O)c1 409391566 JTRFUJHPKHRZCO-ZVHZXABRSA-N 390.439 4.052 50 40 GIGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)c1 4680408 GXZHABFNOQDXQN-ZVHZXABRSA-N 375.403 4.150 50 40 GIGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Cc1cccc2ccccc12 5637601 PWXYQTJJMVWGTA-KRWDZBQOSA-N 398.462 4.150 50 40 GIGB NC(=O)N/N=C/c1cccc(OCCOc2ccc(C3CCCCC3)cc2)c1 6220812 CRVODAACVIPCGN-LFVJCYFKSA-N 381.476 4.194 50 40 GIGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc(Cl)cc1Cl 58951702 ZGNIECKJSCRTPR-CNHKJKLMSA-N 388.048 4.225 50 40 GIGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(N)=S 408541720 CWTPHLCLXFXZLE-QPEQYQDCSA-N 391.265 4.360 50 40 GIGB C/C(=N/NC(=O)Cc1cccc2ccccc12)c1ccc(NC(=O)C2CC2)cc1 5381092 LKAGMRSRFLELOI-QQXSKIMKSA-N 385.467 4.271 50 40 GIGB COC(=O)N/N=C(/C)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 6185103 QNMFAFVXMUZCEU-FBHDLOMBSA-N 380.231 4.326 50 40 GIGB O=C(/C=C/c1c(F)cccc1Cl)NNc1c(F)c(F)c(F)c(F)c1F 8302778 DWOHDHYSOGDZGF-SNAWJCMRSA-N 380.675 4.331 50 40 GIGB C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OCC 8812424 RAQKRMLSJVTIDK-WSDLNYQXSA-N 376.815 4.207 50 40 GIGB N#C/C(=C\c1ccccc1)C(=O)Oc1ccccc1C(=S)N1CCCCC1 408754998 XQXSEFOUNDTKTD-OBGWFSINSA-N 376.481 4.361 50 40 GIGB O=C(N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1)Nc1ccccc1 408961362 SALWKJGRIIOSSO-UCQKPKSFSA-N 389.411 4.119 50 40 GIGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1c(F)cccc1F)C(C#N)=C(N)O2 660256 XKKFXIGUOZUFEX-QGZVFWFLSA-N 398.800 4.331 50 40 GIGB C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1cccc(C)c1O 4904345 DQILFHHZJYVWDR-SSDVNMTOSA-N 394.258 4.142 50 40 GIGB N#C/C(=C\c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC(F)F)cc1 5068798 DQPOLTGJIHKZFT-UKTHLTGXSA-N 388.395 4.318 50 40 GIGB CCCCc1ccc(NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C)cc1 8733016 NEFDVQXVHIUTOP-QGZVFWFLSA-N 397.357 4.284 50 40 GIGB C=C(C)CSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C2=C(CCCC2=O)N1 13284570 JVTRFVNFFGWXQA-LJQANCHMSA-N 382.485 4.139 50 40 GIGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cc(-c2ccccc2)n[nH]1 18163351 AKQSRASEVJHMPL-PCLIKHOPSA-N 396.450 4.420 50 40 GIGB Cc1nc(CC(=O)N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)cs1 33551856 AFWRUVRNJCPRMR-IRJMIRDBSA-N 377.469 4.038 50 40 GIGB CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C/c2cccs2)C1 97962591 LLQSHDWFRQGLEQ-LBSLPOPVSA-N 377.554 4.187 50 40 GIGB O=C(N/N=C/c1ccc(Br)cc1)C12[C@H]3CCC[C@@H]1C32c1ccccc1 100955364 WQJQCBODITURGQ-IEQCIWMLSA-N 395.300 4.267 50 40 GIGB CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=CCCC[C@@H]2[C@@H]1c1cccc2ccccc12 103450031 XGDGFATYQMYRDA-XTJBDQBJSA-N 397.478 4.473 50 40 GIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2C)cc1 223175287 MCVXUUVBYOTADZ-ZHZULCJRSA-N 399.450 4.426 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC 408583220 SMYUDZLQCJWJNG-CXUHLZMHSA-N 383.831 4.442 50 40 GIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@]43C)o2)cc1[N+](=O)[O-] 408721979 BWNRYVUWOAHLNY-LYFOMMBQSA-N 381.432 4.440 50 40 GIGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C 658799 PSABGFUXGMNLMW-FQEVSTJZSA-N 396.487 4.323 50 40 GIGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(Cl)c2)o1 2321531 WQBKKKXCEOOIFE-SRZZPIQSSA-N 399.790 4.037 50 40 GIGB O=C(N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1)c1ccccn1 2660358 OZUIDOWWKWIYEG-FYJGNVAPSA-N 397.529 4.021 50 40 GIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(OC)c2O)cc1 4813971 QGPSSGKQDOMOIA-BTXKWLAHSA-N 390.867 4.097 50 40 GIGB Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 6345892 YYWGSHKPYBMQQN-ZMOGYAJESA-N 379.847 4.265 50 40 GIGB CCOc1ccccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1 83292287 GJKWEOWVEXULQF-JAIQZWGSSA-N 387.233 4.358 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1c(Cl)cccc1Cl 96563334 LTZAAXKOFFRKFB-CQSZACIVSA-N 397.217 4.134 50 40 GIGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Cl)cc1OCC 408589651 MJDSMFMKGFFACX-WSDLNYQXSA-N 391.254 4.168 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1OCC 408859209 NAWWXUFANXTBPS-HYARGMPZSA-N 384.501 4.201 50 40 GIGB COc1ccc2ccc(OC)c(/C=N\NC(=O)COc3ccccc3Cl)c2c1 409018972 ZRQZEYXFHMEYRN-FMCGGJTJSA-N 398.846 4.040 50 40 GIGB N#CC(=CNc1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 2049463221 DZDGIDVZVBNEAW-UHFFFAOYSA-N 397.681 4.353 50 40 GIGB CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C#N)[C@H]1c1cccc(Cl)c1 668735 CYURSNFZAHQJQO-QGZVFWFLSA-N 380.831 4.122 50 40 GIGB Cc1ccc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1 4922464 YFYKKAWPKOLOOX-GOSISDBHSA-N 379.460 4.354 50 40 GIGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 7387055 QCCNRQHFTFWVPD-PCLIKHOPSA-N 394.494 4.098 50 40 GIGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(F)cc2)o1 8812236 LKQDAAXFLXNPQD-ZMOGYAJESA-N 388.402 4.344 50 40 GIGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc(Cl)cc1 100922345 YSVQEFGBZHVMIV-BHGWPJFGSA-N 397.784 4.493 50 40 GIGB O=[P@](Nc1ccc(Cl)cn1)(c1ccccc1)c1nc2c(s1)CCCC2 101023704 GFBWGIDBQGVIBN-XMMPIXPASA-N 389.848 4.411 50 40 GIGB C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1O 408905099 SYGAZHNYXHTXNO-JAIQZWGSSA-N 388.265 4.347 50 40 GIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1F 4548560 MMLUDGBHLFJILG-HNNXBMFYSA-N 391.240 4.039 50 40 GIGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1c(Cl)cccc1Cl 20249080 INHNGJUTGHHKDF-UFWORHAWSA-N 398.271 4.285 50 40 GIGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1(c2ccccc2)CCC1 25602921 KCEKLVXMGPJIQY-UHFFFAOYSA-N 391.496 4.001 50 40 GIGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)CCc1ccccc1 100522895 BRZDSVXUFAFKML-KOEQRZSOSA-N 377.488 4.019 50 40 GIGB Cc1nc(-c2ccc(C(=O)N/N=C\c3ccc4c(c3)C[C@H](C)O4)cc2)cs1 408710770 JTEKVDWTLMIROD-BTXKWLAHSA-N 377.469 4.206 50 40 GIGB CC(=O)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 408759475 FRBKGZKLQFEHPF-OQLLNIDSSA-N 399.244 4.229 50 40 GIGB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@H]12 4025843 ZAWRSOOFVJIHLN-LYYGHALDSA-N 391.305 4.411 50 40 GIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 4503761 FETFRYPFSIHNND-SRZZPIQSSA-N 399.790 4.281 50 40 GIGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc(F)cc1 13234006 ZYXPDVMKRYDKKM-SRZZPIQSSA-N 380.404 4.210 50 40 GIGB C/C(=N/NC(=O)Cc1c(C)n(-c2ccccc2)c2ccccc12)c1cccnc1 18192859 YGTFOHFIDDKXEQ-ONUIUJJFSA-N 382.467 4.417 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1[N+](=O)[O-] 28217551 DRYFRGZUGKTRER-LPYMAVHISA-N 376.416 4.075 50 40 GIGB Cc1c(/C=N/NC(=O)Nc2cccc(Br)c2)c2ccccc2n1C 59679650 GUUVDAYWIUKRRT-RGVLZGJSSA-N 385.265 4.405 50 40 GIGB N#CC1=C(N)/C(=C\c2ccc(Cl)c(Cl)c2)C(=N)N(c2ccccc2)C1=O 104428763 CHLPPECELPIPMX-FJAUNQCOSA-N 383.238 4.137 50 40 GIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)cc1 408786945 YISJKQLBCXEGBH-BOPFTXTBSA-N 399.288 4.460 50 40 GIGB Cc1cccc(NC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 408961237 LNVKVUCZYYUPCZ-UUYOSTAYSA-N 377.400 4.417 50 40 GIGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2cccs2)c2ccccc21 409193516 FCWZFTBEKVKNEX-AFUMVMLFSA-N 398.491 4.316 50 40 GIGB Cc1ccccc1[C@H]1CC(=O)N2CN(c3ccc(F)cc3)CSC2=C1C#N 4922570 WBMCWSHZFXQISQ-GOSISDBHSA-N 379.460 4.354 50 40 GIGB O=C(N/N=C/c1cn(CCOc2ccccc2)c2ccccc12)c1ccccc1O 7095835 RKEZYLKXYUXHMY-PCLIKHOPSA-N 399.450 4.190 50 40 GIGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59459583 VTPGAPSHZFPGOA-DNTJNYDQSA-N 384.650 4.044 50 40 GIGB O=C(Cl)c1ccc(OCc2cccc(F)c2)c(I)c1 217710399 KNBVAZMAQRPYPF-UHFFFAOYSA-N 390.579 4.388 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC#N 408744878 NVBXRDVORZDEGG-DHDCSXOGSA-N 381.819 4.105 50 40 GIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1cc(C)cc(C)c1 408879069 CKFQMLIYIAUHJI-CAOOACKPSA-N 384.863 4.327 50 40 GIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(Cl)cc1 4649309 YINJKSPBSQNXIN-FYJGNVAPSA-N 386.839 4.002 50 40 GIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 5712700 YAJOLYFUPLAVNS-NTEUORMPSA-N 386.835 4.302 50 40 GIGB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/CCCl 100499539 SGHQAEKGWSSHCO-JWCBKIGOSA-N 379.938 4.144 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1-c1ccc(N(C)C)cc1 408739935 GVMUODMJEALLMI-ZVHZXABRSA-N 378.451 4.063 50 40 GIGB COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 408766777 RRNXBMPQYGEFCU-OYKKKHCWSA-N 395.890 4.449 50 40 GIGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 408788082 IDXMYBKWAGMASZ-NTEUORMPSA-N 386.835 4.389 50 40 GIGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1Cc1cc(C)cc(C)c1 408877745 YFJJXQNOGKLSOT-FRKPEAEDSA-N 399.288 4.058 50 40 GIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1 409132829 LVLVKSYIXDTANM-FPQGOQEYSA-N 386.542 4.120 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(OC)cc1OC 6593499 IKQYJBVVFVZPEM-BUVRLJJBSA-N 392.455 4.410 50 40 GIGB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CCCl 1811773 UNFGTYKBHSLPTD-UHFFFAOYSA-N 397.880 4.176 50 40 GIGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(Br)cc1 59474257 CPEKTCWIFYGGQX-DJKKODMXSA-N 397.725 4.486 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC#N 408986641 RUEAVYHMBUSCBW-LDADJPATSA-N 375.428 4.150 50 40 GIGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1 4565656 XEQSQFUWXBVNBA-LJQANCHMSA-N 386.455 4.474 50 40 GIGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)NC3CCCC3)o2)c1C 409188639 IQOPTSKHKNIEIG-QINSGFPZSA-N 378.428 4.007 50 40 GIGB N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)C(=O)NCc1ccccc1 15225911 OBFJHODNMJUQSD-MLPAPPSSSA-N 391.652 4.031 50 40 GIGB Cc1ccsc1/C=N/NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 6218747 ZRODKNNJYGATIX-ZVHZXABRSA-N 389.524 4.379 50 40 GIGB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)[C@@H](C)Cl)c1 14405059 XTLXDRJOICOCJD-CYBMUJFWSA-N 396.878 4.307 50 40 GIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1O 15220521 DBRXTLBIRRUROC-JYRVWZFOSA-N 387.233 4.099 50 40 GIGB Cc1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3[C@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1 16292231 OYBRLNLLOLUPME-MBOZVWFJSA-N 398.388 4.184 50 40 GIGB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 59416963 VFDXBLNRQOLVBL-JXMROGBWSA-N 391.177 4.087 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1OC 408720075 RNFJIAKTFZDHGB-SITPEIFSSA-N 384.501 4.032 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(O)c1 409393171 UZQNTNIEURMONW-AFUMVMLFSA-N 399.450 4.168 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1 654874 BQGDCUBBCXAHON-WSDLNYQXSA-N 384.819 4.285 50 40 GIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)c(O)c1 3264136 GUWAQNBYORLZDY-GHRIWEEISA-N 386.455 4.332 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1 6179993 TYYZJUMAMZGLSY-WSDLNYQXSA-N 382.803 4.151 50 40 GIGB Cc1cc(C)cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)c1 8335690 KRQLIQXFONXSNZ-GOSISDBHSA-N 391.496 4.014 50 40 GIGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCCC3)c2C)cc1 15230400 ZLGPVCYLFTVATL-RGEXLXHISA-N 377.488 4.459 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1cccc(F)c1 59334855 NAINFBFWRIWTAU-ODLFYWEKSA-N 394.446 4.137 50 40 GIGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccc(N2CCCC2)cc1 408675944 CSRFWXOZXIOLKQ-LFVJCYFKSA-N 392.890 4.495 50 40 GIGB COc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1 409241175 JGCRXLSHUJNEBO-LCJWNIEWSA-N 375.472 4.080 50 40 GIGB O=C(N/N=C/c1ccc2ccccc2c1)C(O)(c1ccccc1)c1ccccc1 3169472 WSKNEBHGOUKUER-NLRVBDNBSA-N 380.447 4.226 50 40 GIGB O=C(N/N=C/c1c(F)cccc1F)c1ccccc1OCc1ccc(F)cc1 3312120 NECPGXAKKQBWBL-BRJLIKDPSA-N 384.357 4.447 50 40 GIGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Br)s1 3570555 PTJLMKINIMXKJF-PKNBQFBNSA-N 377.263 4.455 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OC)c(OC)c1 6735988 APJWEZJKAKIOGV-FSJBWODESA-N 398.846 4.283 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1O 59432886 QTTNWAPXSQSKJQ-NTUHNPAUSA-N 387.233 4.017 50 40 GIGB O=C(CN1c2ccccc2Sc2ccccc21)NNC(=O)Nc1ccccc1 2523161 QSUBMKDDEXPBMV-UHFFFAOYSA-N 390.468 4.142 50 40 GIGB CCCCc1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 3193378 OCQXPOSLYBUKBX-BUVRLJJBSA-N 376.456 4.417 50 40 GIGB CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCCl)c1ccccc1[S@@]2=O 4973964 YYJPTJBVMWSOGE-AREMUKBSSA-N 392.864 4.029 50 40 GIGB Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cccc1[N+](=O)[O-] 28217480 BYZQGFMZDNHMDP-FSJBWODESA-N 394.406 4.214 50 40 GIGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(N)=O 59281714 COTBEHXJMKRARW-NTUHNPAUSA-N 391.652 4.074 50 40 GIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(Br)o1 98035302 QBHUTRYKLDKHTL-MTJSOVHGSA-N 399.244 4.238 50 40 GIGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=S)NC2CCCCC2)cc1 1084554 KZLVQRAREAMYME-OEAKJJBVSA-N 398.507 4.209 50 40 GIGB COc1cc(N2CCCC2)c(OC)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 1112761 UJZPCSKHSQHLHF-GZTJUZNOSA-N 379.416 4.276 50 40 GIGB O=C(COc1ccccc1Cl)N/N=C\C(Br)=C\c1ccccc1 44965624 LEMPBXYYEGXXGR-OUJXGQAASA-N 393.668 4.257 50 40 GIGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1)[C@H](Br)C2=O 100834634 VAFQPVNXJQZERO-DQYPLSBCSA-N 384.701 4.437 50 40 GIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)cc1 207055090 JEPWUXFFRVFOJZ-JCMHNJIXSA-N 398.462 4.498 50 40 GIGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c2ccccc21 408779558 YLPRBCVJWDLLEY-UVTDQMKNSA-N 393.830 4.013 50 40 GIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(OC)cc1O 409390879 GCDCTRDZYQGMSA-OEAKJJBVSA-N 378.428 4.107 50 40 GIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1 1093336 XSTHZXQQVGNAIS-YZSQISJMSA-N 383.451 4.220 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)OCCO2 1437611 JRYHATSYDFYMNU-WSDLNYQXSA-N 382.803 4.135 50 40 GIGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 4513626 ZMOLEMBGNLTDPO-IBGZPJMESA-N 393.512 4.293 50 40 GIGB COc1ccc(/C=N/NC(=O)c2cc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1 9110442 FAOGNNISTWEWNM-UFFVCSGVSA-N 389.242 4.156 50 40 GIGB O=C(N/N=C\c1ccc(Cl)cc1Cl)C(O)(c1ccccc1)c1ccccc1 15223248 GIVYIEVPRUYQKE-OYKKKHCWSA-N 399.277 4.380 50 40 GIGB CCCCCCCCCCCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 97942929 RCFIYRWUODPBQP-UHFFFAOYSA-N 377.485 4.489 50 40 GIGB Cc1ccc(COc2cccc(/C=N/NC(=O)CNc3ccc(C)cc3)c2)cc1 408526290 BMKQFFGRULTWHR-CVKSISIWSA-N 387.483 4.445 50 40 GIGB CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 408531241 LJAGOIYCDJJQCI-NDENLUEZSA-N 375.812 4.191 50 40 GIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCC#N 408792168 IZCKPLRTDQEXDJ-XNTDXEJSSA-N 396.244 4.206 50 40 GIGB N#C/C(=C\c1ccccc1OCc1ccccc1C#N)C(=O)Nc1ccc(O)cc1 1410912 JJJRUZLNPIQRSW-DEDYPNTBSA-N 395.418 4.389 50 40 GIGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC(C)C)c1 1453903 ZQTYXFXFBQSGOD-SFQUDFHCSA-N 380.444 4.427 50 40 GIGB CSc1nc(NNC(=O)c2ccccc2Cl)c2c3c(sc2n1)CCC3 2238792 VZLKZTYUIUSEPT-UHFFFAOYSA-N 390.921 4.312 50 40 GIGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1OCC 4714661 JPHMNWMUNOCGGT-HAFIMRKLSA-N 398.528 4.422 50 40 GIGB O=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1cccs1 6561272 DYFJAIWRNWBOHB-UHFFFAOYSA-N 386.860 4.055 50 40 GIGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 113833468 QGCHSIDHXYVXAV-YVLHZVERSA-N 396.399 4.043 50 40 GIGB Cc1cc(Br)ccc1C(=O)[C@H](Br)CBr 307748572 CEQLWHVKRFTBPU-SECBINFHSA-N 384.893 4.099 50 40 GIGB CCOC(=O)COc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1 408526918 DMIMSGPABFQAPJ-WJDWOHSUSA-N 386.245 4.455 50 40 GIGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1 408883914 SEWKYDUMDZCWOU-VZUCSPMQSA-N 392.198 4.456 50 40 GIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 409366848 ZLNLQMWASDSHFE-AFUMVMLFSA-N 393.874 4.481 50 40 GIGB CC(C)(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OC(F)F)cc1 668404 KNUUOZFDRPZJBV-SSDVNMTOSA-N 382.794 4.249 50 40 GIGB O=C(CSCc1ccccc1Cl)N/N=C/c1cccc(Br)c1 1440612 RQFRXXRYJQHNPM-DJKKODMXSA-N 397.725 4.486 50 40 GIGB N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1ccccc1Cl 1453905 KLEAYLDAVNJGTE-YRNVUSSQSA-N 377.625 4.354 50 40 GIGB COc1ccccc1[C@H]1CC(=O)N2CN(c3ccc(F)cc3)CSC2=C1C#N 2238041 NGBLBLANOUFXRP-QGZVFWFLSA-N 395.459 4.054 50 40 GIGB O=C(N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1)c1cccnc1 3335214 OTJKISFLGCHUEH-FYJGNVAPSA-N 397.529 4.021 50 40 GIGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1-n1cccc1 4062998 BKJMGLJKLKTMPQ-FYJGNVAPSA-N 398.260 4.012 50 40 GIGB COc1ccc(C(=O)N/N=C(/C)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 5886361 YXAKCSLDPLPNID-XYGWBWBKSA-N 393.487 4.368 50 40 GIGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1OC 9046739 XWXBGSSLNLVLKF-QGZVFWFLSA-N 396.491 4.113 50 40 GIGB Cc1ccccc1[C@H]1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N 20237976 VEJUAMHKPPNSQO-LJQANCHMSA-N 375.497 4.210 50 40 GIGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C 408763540 STBQHZYCGKCZID-ZVHZXABRSA-N 375.472 4.483 50 40 GIGB N#C/C(=C/c1ccccc1I)c1ccc2c(c1)OCO2 409364088 NARPRTOFUAJTTO-QPEQYQDCSA-N 375.165 4.084 50 40 GIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccccc1 3310346 RQODGJCUOCBUNV-SFQUDFHCSA-N 376.847 4.058 50 40 GIGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N3C2)cc1 4923518 CZQNDHLGWUAFQD-SFHVURJKSA-N 379.460 4.354 50 40 GIGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3)c2C)cc1 5585803 MAONPUPBWCOFST-BUVRLJJBSA-N 389.455 4.035 50 40 GIGB COc1cc(Br)c(/C=C(\C#N)c2nc3ccccc3n2C)cc1OC 6210063 HQJFGEVFNXDIDE-MDWZMJQESA-N 398.260 4.417 50 40 GIGB COc1cccc([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)c1 6803926 BSXNPQXNTDSIQD-LJQANCHMSA-N 391.496 4.223 50 40 GIGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(Cl)c(Cl)c2)cc1 18042685 CIAXJSXIYTZJEC-GXDHUFHOSA-N 383.256 4.253 50 40 GIGB C[C@]12[C@@H](Br)[C@@H]3[C@H]4C[C@H]5[C@@H]3[C@H]1C(Br)(Br)[C@@H]5[C@@H]42 100883087 KEDQYEQDYKQXQJ-GNZFQUCMSA-N 396.948 4.014 50 40 GIGB O=C(CN1CCCCC1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408867288 KIRXGQIUGUGBDC-SRZZPIQSSA-N 380.275 4.189 50 40 GIGB CCCCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 3067907 FMYLVDQLGQSYQF-WSDLNYQXSA-N 392.286 4.425 50 40 GIGB O=C(NNC(=O)c1ccccc1-c1nc2ccccc2s1)c1ccccc1F 3352299 HGULGSGZHNUIHK-UHFFFAOYSA-N 391.427 4.177 50 40 GIGB C[C@@H]1CCc2sc(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)cc2C1 6085443 GOGJVOMWHMOSGV-ZHHULCEESA-N 386.561 4.240 50 40 GIGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(Cl)c1)c1cccs1 6335986 GXRLYBZAHHJBFS-CIAFOILYSA-N 383.860 4.418 50 40 GIGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCCC2)o1 59379000 JONQBIKMFDKAEW-CIAFOILYSA-N 391.924 4.307 50 40 GIGB COc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1 409114627 HURXEQCELAPYQE-AWQFTUOYSA-N 383.300 4.386 50 40 GIGB Cc1ccc(Cn2cc(/C=N/NC(=O)[C@H](O)c3ccccc3)c3ccccc32)cc1 409359609 PHJTVBWZIDKUIZ-AQPAOHHBSA-N 397.478 4.182 50 40 GIGB CC(C)Oc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 5408160 SUTPLOZRMJWQDM-MRXNPFEDSA-N 378.457 4.144 50 40 GIGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC(C)C)c1 8812865 VEIMBKXEXFEEHS-RGVLZGJSSA-N 391.265 4.009 50 40 GIGB COc1ccc(/C=N/NC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)n[nH]2)cc1 9012066 PIZXDWLXQYAQPF-UFFVCSGVSA-N 389.242 4.156 50 40 GIGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCc2ccccc2)NC(=O)[C@H]1C#N 9329562 XBFVNOPMQNMMRZ-PXNSSMCTSA-N 389.480 4.107 50 40 GIGB C=CCN1C(c2ccccc2)=CS/C1=C(\C#N)c1nnc2n1CCCCC2 13118919 QIVFLPGXEQESOH-HEHNFIMWSA-N 375.501 4.430 50 40 GIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1 33719945 YNPJLJNGWPHFKU-LFVJCYFKSA-N 375.472 4.459 50 40 GIGB CCO[C@]1(C(=O)Nc2ccc(OCCBr)cc2)CCC[C@H](C)C1 225714368 YQQBYRVDITUJJT-KBXCAEBGSA-N 384.314 4.384 50 40 GIGB Cc1ccc(COc2ccccc2[C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1 409124700 BJZQYQWNIISUNB-HSZRJFAPSA-N 399.494 4.304 50 40 GIGB COc1cc(Cl)c(/C=N/NC(=O)CNc2cccc3ccccc23)cc1OC 409392365 PIWXSJWWCJFLJG-WYMPLXKRSA-N 397.862 4.073 50 40 GIGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)[C@@H](O)c1ccccc1 805082 FDNOYMHGXWHHHF-QPHXDFOYSA-N 389.238 4.437 50 40 GIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cccc(Br)c1 1434565 VMJZGRDPXRRMSA-OTGIAGGSSA-N 377.307 4.221 50 40 GIGB Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccc(Br)cc1 3206967 FTXUTDBBVLZPDS-WSDLNYQXSA-N 397.276 4.016 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OC 3616217 WNVIBXUVPZIWNX-RIYZIHGNSA-N 386.835 4.220 50 40 GIGB C[C@@H]1Cc2ccccc2N1C(=O)[C@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 4185847 FLVKQSUCJXTORD-NOHCGJFLSA-N 390.321 4.123 50 40 GIGB O=C(N/N=C\c1cccc(OC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1 30822065 GLAJMJZQAIZQJB-CFRMEGHHSA-N 396.805 4.462 50 40 GIGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 58885716 BJEKCJNYDAWZBV-UHFFFAOYSA-N 377.794 4.370 50 40 GIGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc2)cc1 59193941 VSQJSOQNBNGFRI-GHRIWEEISA-N 383.469 4.285 50 40 GIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)NCc1ccccc1 59233052 DXZZVYHUCHQKIF-RCCKNPSSSA-N 382.419 4.129 50 40 GIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(O)c(Br)c2)cc1 408599335 SRAPUFHFEXXRMJ-RGVLZGJSSA-N 375.266 4.216 50 40 GIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1 408819131 ZQZPNKQHBDTQKK-VGOFMYFVSA-N 391.254 4.363 50 40 GIGB O=[N+]([O-])c1ccc(O[P@@](=O)(CCl)N(CCCl)CCCl)cc1 1690234 FHIAZVOYQILZEU-NRFANRHFSA-N 375.576 4.143 50 40 GIGB O=C(O)c1ccc(/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1O 1705078 CVARUTZDRBOEJN-CIAFOILYSA-N 381.259 4.125 50 40 GIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2C)cc1C 6966745 XXBWGUPFPWLBOT-OJLHXUGZSA-N 384.483 4.468 50 40 GIGB O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1 8812211 VUUUMDXHNDJLCU-YDZHTSKRSA-N 393.374 4.077 50 40 GIGB CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc1 36618839 GICANPALSUBLCT-QGZVFWFLSA-N 391.862 4.014 50 40 GIGB COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)c(Cl)c1 103616079 VGFMVNBXIMSJOB-SSDVNMTOSA-N 394.258 4.137 50 40 GIGB Cc1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3[C@H]4CCCC[C@@]43C)o2)c([N+](=O)[O-])c1 408718837 NTEMEGVNJSGQST-AKBQTTGDSA-N 381.432 4.440 50 40 GIGB O=C(N/N=C/c1cccn1-c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 408964624 CYLVKNVNHCAZJY-WYMPLXKRSA-N 375.325 4.399 50 40 GIGB CCC(CC)[C@H]1C(C#N)=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c21 1472042 DJGJCDOAQVMRRK-FQEVSTJZSA-N 377.488 4.006 50 40 GIGB C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@H]2C1 4473469 GFOGUBRWYBBOHI-IWEFOYFVSA-N 393.288 4.289 50 40 GIGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NC2CCCCCC2)c(C)n1CC(C)C 6216359 YMNOOJYQTIUOEF-UDWIEESQSA-N 399.535 4.050 50 40 GIGB COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)([C@@H]2Br)C3(C)C)cc1 17201517 ZTGOHZQTJFQOJK-JCGIZDLHSA-N 380.282 4.002 50 40 GIGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1Br 20195418 DHCBYCLUVODCLC-CIAFOILYSA-N 389.293 4.157 50 40 GIGB O=C(/C=C/c1ccco1)Oc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1 32144098 QBCASEZCRCYXED-KGECZUTASA-N 394.814 4.316 50 40 GIGB O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)C(Cl)Cl 60017036 XZQBECZIAHVGOQ-UHFFFAOYSA-N 378.215 4.058 50 40 GIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(O)c(Br)c2)cc1 408566446 GMRYETZJXYGYGU-CIAFOILYSA-N 389.293 4.145 50 40 GIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c(O)c1 409390792 FQTJGMLUQCZHTD-FSJBWODESA-N 397.862 4.226 50 40 GIGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)c1 650258 FBLDSNHDQUTALM-YDZHTSKRSA-N 396.830 4.079 50 40 GIGB O=C1/C(=C/c2cccs2)C(=O)N(C2CCCCC2)C(=S)N1CCCCl 2178728 QILYDTNMVJVMNR-QINSGFPZSA-N 396.965 4.049 50 40 GIGB CC(C)(C)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 3027360 SSTDNZCGYGRJPC-NLRVBDNBSA-N 386.495 4.370 50 40 GIGB Cc1ccc2c(c1)/C(=N/OC(=O)CCCl)C(=O)N2Cc1ccc(Cl)cc1 3064305 DUVLWUPNBXQKBI-PYCFMQQDSA-N 391.254 4.071 50 40 GIGB CCN(CC)CC(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 4525839 OLKLWHJDRWNKGX-PCLIKHOPSA-N 389.499 4.211 50 40 GIGB O=C(CNc1ccccc1)N/N=C/c1sc(Nc2ccccc2)nc1Cl 6297624 BNQGKXMRQPWTMZ-SRZZPIQSSA-N 385.880 4.102 50 40 GIGB CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C(C[C@@H](CC)CC2)[C@H]1c1ccccc1 35193570 QDGRPBRRSWBNGH-UYGSHGSRSA-N 375.472 4.100 50 40 GIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccc(F)cc1 59953221 SLZKRQUUKKSZNA-NRFANRHFSA-N 390.414 4.219 50 40 GIGB COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2C)c1C 408803879 UJUHFZCOZMEPLA-LDADJPATSA-N 385.895 4.116 50 40 GIGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1 408845130 OTBAEHMOOVEKAT-IOFATVNJSA-N 399.450 4.111 50 40 GIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCc1ccc(F)cc1 409235067 AVCCFKZNANUQLG-QFEZKATASA-N 380.394 4.237 50 40 GIGB N#C/C(=C\Nc1ccc(I)cc1)c1nc2ccccc2[nH]1 1775487 IRPBHEDDCYPXEE-ZHACJKMWSA-N 386.196 4.144 50 40 GIGB CCOc1cc(Cl)c(Cl)c2cc(C(=O)NNc3ccccc3)c(=O)oc12 6155316 IOSKUJGDIGAVLN-UHFFFAOYSA-N 393.226 4.255 50 40 GIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 13810273 MSKUFWWKXYXMBU-WQRHYEAKSA-N 385.423 4.369 50 40 GIGB C[C@@H]1N(C)c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2C1(C)C 96142456 IDKJYURVTPXLSH-SFHVURJKSA-N 375.452 4.442 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(F)cc3)c2C)c1 408692314 JPLXPNOQMUSIHF-DHRITJCHSA-N 378.451 4.104 50 40 GIGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 408892767 CICRQNKKEPJFHL-NTUHNPAUSA-N 386.205 4.211 50 40 GIGB C/C(=N\NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1)c1ccncc1 408949683 FVPBDBSPZHGTMB-NLRVBDNBSA-N 387.483 4.327 50 40 GIGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1cccs1 408995248 BCJVKXLXWJXUFX-ZCBGOQAOSA-N 375.453 4.164 50 40 GIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(C(=O)O)cc2)cc1C 409243019 ULLKRTDFJQZJQS-AQTBWJFISA-N 385.423 4.338 50 40 GIGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 681640 NZCLMDFWFNRXMU-YDZHTSKRSA-N 393.830 4.062 50 40 GIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H]1[C@H]2CCCC[C@@]12C 4544677 UTXVFOHELIKLAX-UOGCTUSDSA-N 391.309 4.290 50 40 GIGB Cc1ccc(Sc2ccc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])o2)cc1 33482018 LEDPUMKNIJUUII-BKUYFWCQSA-N 395.440 4.340 50 40 GIGB CCCOc1cc(Br)c(/C=N\NC(=O)c2ccccc2)cc1OC 33529397 GOXYMVJKAJTZDL-NDENLUEZSA-N 391.265 4.010 50 40 GIGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1C 58914530 ATZWJOUQNXIIIQ-FMCGGJTJSA-N 395.846 4.306 50 40 GIGB CC[C@@H](C)n1nc(C)c(Cl)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253404936 RNBXVRIPIGWMOT-MEBBXXQBSA-N 388.899 4.267 50 40 GIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2C)c1C 409205602 RHSWAUFDQOVCNK-QVGKIPNLSA-N 384.483 4.468 50 40 GIGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1ccc(Br)cc1 2317033 JNKRULSXODTKLX-INIZCTEOSA-N 378.229 4.215 50 40 GIGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)c1ccccn1 5594465 PTOQIPKNVNBYOS-BJMVGYQFSA-N 380.039 4.376 50 40 GIGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC 59473757 DGYRWMAVSOWSBV-XMOVILSBSA-N 392.908 4.378 50 40 GIGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 211204727 LTNXXZPMIIKKSJ-YBEGLDIGSA-N 380.831 4.215 50 40 GIGB COCCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408966221 KNNVNYLMLCGZJE-XMHGGMMESA-N 380.488 4.488 50 40 GIGB COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)c1 409002241 MMVTVSYZHSDLIP-QAWWPKJNSA-N 399.450 4.111 50 40 GIGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(N2CCCC2=O)cc1 1053016 SZZSXUWNVLJMQA-KOEQRZSOSA-N 399.450 4.370 50 40 GIGB N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(N)=O 3254495 UTVCKXYSWCMXHL-FYJGNVAPSA-N 384.435 4.237 50 40 GIGB C/C(=N/NC(=O)Cc1c(C)n(-c2ccccc2)c2ccccc12)c1ccncc1 18192862 HEMZLTWPROONDZ-ONUIUJJFSA-N 382.467 4.417 50 40 GIGB CC[C@@H](C)n1nc(C)c(Cl)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253404926 RNBXVRIPIGWMOT-BMIGLBTASA-N 388.899 4.267 50 40 GIGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1 408803787 AMEGMESIHKVKPI-IWTVXVHRSA-N 378.428 4.247 50 40 GIGB Cc1c(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cccc1[N+](=O)[O-] 408863922 RCWWRWFQOBZUGB-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc1 3266410 DOVLUVXHMDDIND-LDADJPATSA-N 392.455 4.216 50 40 GIGB Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1 4714508 JIRMCTLPTJMEGB-UUYOSTAYSA-N 393.399 4.001 50 40 GIGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1cccc(Cl)c1Cl 23217807 JMJYZFNXHSROGZ-XYOKQWHBSA-N 391.210 4.002 50 40 GIGB CCCCCCOc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 33655641 DMPSOHANSWJGNH-JCMHNJIXSA-N 399.447 4.326 50 40 GIGB CCOC(=O)[C@@H](CC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 103649697 SFNOOYZMYYCNTL-HSZRJFAPSA-N 377.444 4.322 50 40 GIGB CC(C)(C)OC(=O)N1[C@@]2(C)C[C@H](Br)[C@H](Br)C[C@]12C 104277531 KVQHWEOFWCKLPY-SCZFNRLRSA-N 383.124 4.075 50 40 GIGB NNC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 226334994 WLRPPJBXPIXRRF-PKNBQFBNSA-N 397.272 4.184 50 40 GIGB CCOC(=O)CN1C=CC=C/C1=C(/C#N)c1nc(-c2ccc(OC)cc2)cs1 257173212 GVFLGIRJHZFRHE-HTXNQAPBSA-N 393.468 4.002 50 40 GIGB C/C(=N\NC(=O)c1ccc(I)cc1)c1ccc(Cl)cc1 408711667 DQKKQPSSRLWLPL-VCHYOVAHSA-N 398.631 4.099 50 40 GIGB O=C(N/N=C\c1cc(Cl)c(O)c(Br)c1)c1cc2ccccc2o1 408847513 NHESPNZRNIXPBL-UWVJOHFNSA-N 393.624 4.318 50 40 GIGB CN(C)c1ccc(/C=C/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 408956102 WCEFRKGBOYHLAW-NAUHHSDCSA-N 384.483 4.056 50 40 GIGB C/C(=N\NC(=O)COc1ccc(C)c(Cl)c1)c1ccc2ccccc2c1O 409189944 OBTMTMMOOHGAMU-OEAKJJBVSA-N 382.847 4.426 50 40 GIGB Cc1nc(CC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1 2636727 IMMXIFMXVCJBHJ-SSDVNMTOSA-N 387.549 4.445 50 40 GIGB COc1ccc(C(=O)Nc2ccc(OC(F)(F)[C@H](F)Cl)cc2)cc1OC 3235316 RZRXDWLDAARAHV-INIZCTEOSA-N 389.757 4.462 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 6269152 DDRCXRGGQZWMOK-FYJGNVAPSA-N 394.456 4.174 50 40 GIGB O=C(CSc1ccc(Cl)cc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 7993703 DYMUHZARVMYQLY-GRKKMJAJSA-N 375.837 4.156 50 40 GIGB N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1ccccc1F 20348337 GFEKLBDHBMNXSW-QGZVFWFLSA-N 379.460 4.041 50 40 GIGB N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1ccc(F)cc1 20348342 QLUDBMGLGDPYGW-GOSISDBHSA-N 379.460 4.041 50 40 GIGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(OC)cc1 54216323 RZXDXWDJPPSMAU-FOWTUZBSSA-N 388.427 4.030 50 40 GIGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1cccc(Cl)c1 58917024 FTKGVKYUIJGDQM-YDZHTSKRSA-N 381.863 4.277 50 40 GIGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 208455293 YTRRWNCIPBDELT-YDZHTSKRSA-N 392.459 4.299 50 40 GIGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc21 208459348 HNJGDCFNYZRLNS-YDZHTSKRSA-N 392.459 4.299 50 40 GIGB CCOc1cc(C(=O)NN)cc(Cl)c1OCc1ccc(Cl)cc1Cl 216836683 ANWBAOFIRRQLBM-UHFFFAOYSA-N 389.666 4.228 50 40 GIGB O=C(N/N=C/c1ccc(Br)cc1)[C@]12[C@H]3CCC[C@@H]1[C@@]32c1ccccc1 257345359 WQJQCBODITURGQ-LCSVOKFVSA-N 395.300 4.267 50 40 GIGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(Cl)cc1Cl 885027 COZSCYVRRZCBPW-IFRROFPPSA-N 381.650 4.367 50 40 GIGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl 2886718 LOGXHKVCDOYHJT-XYOKQWHBSA-N 375.211 4.326 50 40 GIGB CC1=C(C(=O)OCCCCCl)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 4064527 WSIJGRXWCLQXMV-CQSZACIVSA-N 391.682 4.184 50 40 GIGB Cc1ccccc1N1CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2C1 4922749 IRVHZYHWBLUFGY-INIZCTEOSA-N 379.460 4.354 50 40 GIGB Cc1cc(C(=O)NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(C)o1 5272407 WWHDFIIGFKNKSE-LJQANCHMSA-N 380.469 4.191 50 40 GIGB COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 6691017 ZRJOCDYQKQPUNN-FQEVSTJZSA-N 394.434 4.457 50 40 GIGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC)cc1C 27018994 QZFMAAQXWCBHMF-XMHGGMMESA-N 398.466 4.066 50 40 GIGB COc1ccc(CCCC(=O)N/N=C2\CCCc3cc(OC)c(C)cc32)cc1 32116621 LACIYMFWQNKOSE-DARPEHSRSA-N 380.488 4.192 50 40 GIGB O=C(N/N=C\c1ccc(OC(=O)c2ccccc2)cc1)c1cccc(Cl)c1 33780339 WCHZXULMIKTCOA-UCQKPKSFSA-N 378.815 4.323 50 40 GIGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cccc2ccccc12 59514218 VDULISGYBFHCTL-WSDLNYQXSA-N 382.261 4.165 50 40 GIGB COc1cccc(/C=C(\C#N)C(=O)OCc2csc(Br)c2)c1 96307022 KXNYLMVKMZXPQF-WLRTZDKTSA-N 378.247 4.170 50 40 GIGB C/C(CC(=O)Nc1ccc(Cl)cn1)=N\NC(=O)c1cccc2ccccc12 101158936 MAPVWMVNINRWDC-ZMOGYAJESA-N 380.835 4.023 50 40 GIGB Cc1ccc(NC(=O)N/N=C\c2cc(Br)c(N3CCCC3)o2)cc1 408855716 GTMNTAHDUXNOTF-ODLFYWEKSA-N 391.269 4.106 50 40 GIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)c(OC)c1 408880151 DQTCSLGSSOPQRE-LDADJPATSA-N 378.472 4.225 50 40 GIGB Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 409067500 DZBGBSKZVLNMNC-ATVHPVEESA-N 381.863 4.031 50 40 GIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br 409192604 FGIPKYOJUQMFDP-PTNGSMBKSA-N 390.325 4.261 50 40 GIGB N#C/C(=C/c1cccc(I)c1)c1ccc([N+](=O)[O-])cc1 409343890 IFJTXJOEVWHNIQ-JYRVWZFOSA-N 376.153 4.264 50 40 GIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)c(C)c1 874466 CAAWBKFTJLTGST-QGZVFWFLSA-N 391.496 4.014 50 40 GIGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@H](C)CC)cc2)ccc1OC 1320210 HULMODIOZBSQMZ-BRABVMKYSA-N 384.476 4.137 50 40 GIGB O=C(CSCc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5737103 CKCYZLMBXDOHRD-CIAFOILYSA-N 395.440 4.238 50 40 GIGB Cc1ccc(OCCSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2)cc1 6477139 QZFDIDCQPMHLHS-GOSISDBHSA-N 382.460 4.285 50 40 GIGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2Cl)c(C#N)c1C 6655944 XRJQBCNRQDYSBQ-RIYZIHGNSA-N 398.871 4.477 50 40 GIGB Cc1cc(C)c(OCC(=O)N/N=C\C=C\c2ccccc2)c(Br)c1 20100959 NKTXCPRTYKMNTO-VMGASSTCSA-N 387.277 4.260 50 40 GIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc(C)cc1 59334859 AZSKHSSSKZFQFD-BKUYFWCQSA-N 390.483 4.306 50 40 GIGB Cc1ccc(S(=O)(=O)/C(C#N)=C\Nc2[nH]ncc2-c2ccc(Cl)cc2)cc1 100919925 NPBWLEANULSKIM-BOPFTXTBSA-N 398.875 4.289 50 40 GIGB Cc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1Br 201108669 CTQSHKHMMCRGEY-FSJBWODESA-N 396.288 4.473 50 40 GIGB CCCCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 3148862 ZTYZMFCYIIGWSF-DEDYPNTBSA-N 375.266 4.392 50 40 GIGB O=C(NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(F)cc1 7653019 RGLZKNFHWHXXTO-UHFFFAOYSA-N 392.308 4.179 50 40 GIGB N#Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccc(F)cc3)c3ccccc32)cc1 8812475 VMIYRQPFUGUHBQ-MZJWZYIUSA-N 396.425 4.464 50 40 GIGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)CC(=O)N1 9363590 JQIRBGKMDLLFJU-QGZVFWFLSA-N 386.517 4.225 50 40 GIGB COc1ccccc1NCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 57476898 HAMWAXWQSVSUTQ-FSJBWODESA-N 383.835 4.171 50 40 GIGB C[C@@H]1CCCC/C1=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 102648944 OOGNDSXSWDSASE-QCLIIHOKSA-N 377.488 4.230 50 40 GIGB N#Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(F)c1 408968799 ZGBZXPCPXNIKGM-MZJWZYIUSA-N 396.425 4.464 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NCc1ccco1 408993384 DNFDRQAWUSZOSX-MDWZMJQESA-N 396.786 4.115 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OC)c(OCC)c3)cc2c1 409186459 CGWHXGJWQUFMKN-XKZIYDEJSA-N 382.416 4.003 50 40 GIGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)COc1c(C)cc(C)cc1C 847776 GLYJUKHBPUFKJT-LSFURLLWSA-N 395.286 4.456 50 40 GIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1O 3570330 LUKAZXAQOAZQGX-NTUHNPAUSA-N 387.233 4.017 50 40 GIGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccccn1 6962564 MEDATEPSVWOSEJ-FSJBWODESA-N 398.919 4.385 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)N2CCCC2)ccc1OCc1ccccc1Cl 33410157 NGEIRWDCNTVZEA-PDGQHHTCSA-N 396.874 4.457 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1cccc(F)c1 59334272 MXKNQGAALDDTPS-CHHVJCJISA-N 388.826 4.062 50 40 GIGB COc1cccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 83294528 NNSRDANXLIJKMX-NHDPSOOVSA-N 399.790 4.281 50 40 GIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1 211253770 FUJHIHNEMHANSC-LGMDPLHJSA-N 381.863 4.031 50 40 GIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Br)o2)cc1 408994232 YJAYKOFUUVKBPL-RGVLZGJSSA-N 386.249 4.214 50 40 GIGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc(=O)c2c(C)oc(C)c32)cc1 1106332 VQURLYKBRVGKIL-NRFANRHFSA-N 388.423 4.027 50 40 GIGB biogenic Cc1ccc(OCC(=O)N/N=C/c2ccc3ccccc3c2)c(Br)c1 1439245 GEUZHGTYNYWJEH-WSDLNYQXSA-N 397.272 4.440 50 40 GIGB O=C(N/N=C/[C@]1(c2ccccc2)CC1(Cl)Cl)c1ccc2ccccc2n1 2315213 OFFFDJLPKXCHPM-QMFLXTPQSA-N 384.266 4.466 50 40 GIGB O=C(N/N=C/c1ccccc1C(F)(F)F)C(O)(c1ccccc1)c1ccccc1 2794980 CPHBDWJYOCEPPT-CVKSISIWSA-N 398.384 4.092 50 40 GIGB C/C(=N\NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(C#N)cc1 4882690 PTSSWRUHKHWTPV-LQKURTRISA-N 391.434 4.322 50 40 GIGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 4953585 PAUIHNNKGIANDM-UKTHLTGXSA-N 386.205 4.211 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1F)c1ccc(N2CCCC2)cc1 7386878 NYINDBLYXNZRFA-KOEQRZSOSA-N 394.494 4.180 50 40 GIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(Br)s1 33306005 YFIWSMOQGIVZCE-UWVJOHFNSA-N 391.212 4.222 50 40 GIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 408743961 ITVFBMBISPLFOO-UVTDQMKNSA-N 389.367 4.415 50 40 GIGB CN(C)c1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 409070936 HMBRIZOEMRJLSK-MFKUBSTISA-N 391.446 4.235 50 40 GIGB O=C(N/N=C/c1c(Cl)cccc1Cl)C(O)(c1ccccc1)c1ccccc1 712364 BAGJPHJDDHQZSN-ZVHZXABRSA-N 399.277 4.380 50 40 GIGB COc1ccc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1 2365420 LVRISZYCBBDCGG-GOSISDBHSA-N 395.459 4.054 50 40 GIGB C/C(=N\OCC(=O)N/N=C(\C)c1cccs1)c1ccc(Cl)c(Cl)c1 5447131 HRFPLTRDQMXGRC-TXPZZQPNSA-N 384.288 4.336 50 40 GIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cccn1-c1cccc(C(=O)O)c1 9262918 JVQFBHKFOHUOAG-NBVRZTHBSA-N 385.423 4.284 50 40 GIGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1 13471543 LBUYAUNRTRTBJN-FGZHOGPDSA-N 399.542 4.119 50 40 GIGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccc(Br)cc1 58917836 JUUASEBIZSHNLD-WSDLNYQXSA-N 397.276 4.016 50 40 GIGB Cc1ccccc1NC(=O)[C@H]1[C@H]2[C@@H]3C[C@H]([C@H](Cl)C3)[C@@H]2ON1c1ccccc1 100891795 KAQDAEQXVSETDF-MYFPZXJNSA-N 382.891 4.386 50 40 GIGB CCN1c2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2C(C)=CC1(C)C 208507450 VTIHRGOJOYHZCY-BUVRLJJBSA-N 377.488 4.481 50 40 GIGB CCOC(=O)COc1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1 408598832 KCORWHXSGNGOBI-LFIBNONCSA-N 379.441 4.162 50 40 GIGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1 408734467 GOQRAOCUDNBDBD-LFIBNONCSA-N 398.846 4.136 50 40 GIGB Cc1cccc(C(=O)N/N=C/c2cccc(Oc3nc(Cl)ncc3F)c2)c1 409063000 FFCUALURQKJBFT-AUEPDCJTSA-N 384.798 4.134 50 40 GIGB N#C/C(=C\c1cccc(OCc2ccc(C#N)cc2)c1)C(=O)NCc1cccs1 409205156 MYJKBRQYFGWXDL-RGVLZGJSSA-N 399.475 4.422 50 40 GIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1coc2ccc(C)cc2c1=O 652312 FMWGACFALFVJQY-MDWZMJQESA-N 394.814 4.309 50 40 GIGB N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@H]1c1ccsc1 720053 YCZRGMOOTNYRSU-KRWDZBQOSA-N 383.423 4.331 50 40 GIGB COc1ccc(CCCC(=O)N/N=C/c2ccc(Br)cc2)cc1C 1434856 IPCVKLABTLHWSQ-FYJGNVAPSA-N 389.293 4.239 50 40 GIGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(N)=O)cc1 6961549 QWHCNZQLDINCHY-UNOMPAQXSA-N 386.411 4.165 50 40 GIGB N#C/C(=C\c1ccc(OCC(N)=O)c(Cl)c1)c1ccc(Br)cc1 33642691 GJUMXVPLABSIBY-NTUHNPAUSA-N 391.652 4.031 50 40 GIGB CC(C)(C)NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(O)CCCC2=N1 100703295 KUFQCGPWVYGCAU-QGZVFWFLSA-N 385.489 4.197 50 40 GIGB C/C(CC(=O)Nc1ccccc1)=N\NC(=O)CSCc1ccc(Cl)cc1 105445887 HIMPJQRCCOMSAU-HYARGMPZSA-N 389.908 4.094 50 40 GIGB Cc1cccc(Cn2cc(/C=N\NC(=O)c3cccc(O)c3)c3ccccc32)c1 408998357 IUNMXRZQADGSNR-QFEZKATASA-N 383.451 4.468 50 40 GIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c[nH]nc2-c2ccccc2)c1 1029914 AHMBONNKOKGPRG-FSJBWODESA-N 376.460 4.038 50 40 GIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(Cl)c(Cl)c1 1261196 KHHZUFSOBFXTKO-UFWORHAWSA-N 380.256 4.377 50 40 GIGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H](C)CC)cc2)ccc1OC 1320212 HULMODIOZBSQMZ-YQCVNYCESA-N 384.476 4.137 50 40 GIGB CCCCCCOc1ccccc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 3097513 IZXPDQPYPKUQNA-CJLVFECKSA-N 383.448 4.247 50 40 GIGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)o1 6200579 VNCXYBUDZUKPRG-KAMYIIQDSA-N 388.379 4.205 50 40 GIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)Nc3ccc(C(C)C)cc32)c1 6404463 PMUJAZYXQZJBDZ-UHFFFAOYSA-N 393.487 4.093 50 40 GIGB C/C(=N/NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(C)C)cc1 13552284 LKNAGEQBGCEJOT-BKUYFWCQSA-N 389.839 4.291 50 40 GIGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)cc1 15220105 YQXBQZQBDFXPLI-NBVRZTHBSA-N 392.455 4.479 50 40 GIGB O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(CSc2ccccc2)o1 28437965 GMHVNUZOHTYBFI-UHFFFAOYSA-N 391.452 4.128 50 40 GIGB CCOc1cc(C)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C(C)C 107800333 VQYCSGRUESJQME-XKZIYDEJSA-N 383.448 4.118 50 40 GIGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 208202956 LHBQDVQYRHMSRJ-KOUDTOEKSA-N 380.448 4.081 50 40 GIGB COc1cc(-c2nc3cc(CBr)ccc3o2)cc(OC)c1OC 226317992 SJBXCAQJPZMYQQ-UHFFFAOYSA-N 378.222 4.416 50 40 GIGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C 408789603 MTYLGWWCLXADDB-LGJNPRDNSA-N 392.478 4.412 50 40 GIGB N#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 408797921 TYCKLGCXTQZCMA-KPKJPENVSA-N 388.210 4.147 50 40 GIGB CC(C)[C@H]1COC([C@H]2CCCCN2P(c2ccccc2)c2ccccc2)=N1 1988188066 PQUUCDVLTJZOFT-FGZHOGPDSA-N 380.472 4.342 50 40 GIGB COc1ccccc1[C@H](CCNC(=O)CCl)c1ccc(OC(C)C)cc1 1321530 FGJZBXXCCKUOCC-GOSISDBHSA-N 375.896 4.359 50 40 GIGB biogenic COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 14151874 MTQBSILBNGFIIC-NTEUORMPSA-N 393.468 4.061 50 40 GIGB Cc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cn1 30803194 FHRQVSVVWQYOMV-MSXFZWOLSA-N 393.830 4.027 50 40 GIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c(OC)c1 33410043 OXJXNPVTRQMJQC-LCYFTJDESA-N 387.233 4.012 50 40 GIGB CC(C)(C)OC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 78566310 LYOHDJGKUJDWGS-UHFFFAOYSA-N 378.452 4.055 50 40 GIGB N#C/C(=C/c1cnc(N2CCCC2)nc1)c1ncc(C(F)(F)F)cc1Cl 84338473 IJUSTYCFGDOGSF-XGICHPGQSA-N 379.773 4.208 50 40 GIGB COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1Cl 100544221 YFBWMXCZYFZTHJ-SSDVNMTOSA-N 394.258 4.137 50 40 GIGB CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1O 409367495 BXUNQUWJDCDDSM-ZROIWOOFSA-N 391.208 4.460 50 40 GIGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc2ccccc2c1 1429132 DPGAHIWSDWBFLE-CIAFOILYSA-N 383.245 4.131 50 40 GIGB C/C(=N\NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccc(C)cc1 5277255 GYYIZGVKRVXOOX-NCELDCMTSA-N 388.467 4.493 50 40 GIGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 5515014 IFZWLZSHERGPCR-CIAFOILYSA-N 399.244 4.482 50 40 GIGB COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1Br 7158130 MXRPITCMVOGECE-SYLKQSLASA-N 377.282 4.060 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCCCC2)o1 33623848 APIYBVHAYHWMEI-HZHRSRAPSA-N 377.444 4.196 50 40 GIGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1 33872720 KYPPUCLZTSEMPI-ATTDUZETSA-N 385.261 4.242 50 40 GIGB C[C@H]1O[C@]1(C)C(=O)[C@@H](Br)[C@H](Br)c1ccc(Cl)cc1 102673513 HMKVJMOQBUSHGB-XDRUHAPNSA-N 396.506 4.286 50 40 GIGB CC[C@@H](Nc1ccccc1OC)C(=O)N/N=C/c1ccc(Cl)cc1Cl 654502 PEUSRFFWQQLFAN-UGVMZYNRSA-N 380.275 4.343 50 40 GIGB CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)cc1 4677873 HGNSKJHPGDKQFL-XQNSMLJCSA-N 376.460 4.410 50 40 GIGB CC1(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)SCCS1 6348173 MZYBFLRBGDPRIB-KGENOOAVSA-N 386.542 4.302 50 40 GIGB CCCCCn1cnnc1SCC(=O)/C(C#N)=C1/Sc2ccccc2N1C 6985385 UQGGAHCZVSCPNI-NBVRZTHBSA-N 399.545 4.107 50 40 GIGB N#CSCC(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Br 226328661 OZZARWSZHAMBHZ-UHFFFAOYSA-N 388.246 4.410 50 40 GIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CC2(C)SCCS2)c1C 408588213 IISVFGXQPHFERB-FYJGNVAPSA-N 387.574 4.439 50 40 GIGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3C)c2C)c1 408591907 WFFFAPOWRBGDCZ-YDZHTSKRSA-N 390.443 4.383 50 40 GIGB N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1cc(Cl)ccc1Cl 408922751 GJQGEBWOEGTXMX-WUXMJOGZSA-N 391.210 4.002 50 40 GIGB CC(=O)C1=C(C)NC(SCc2ccc(C#N)cc2)=C(C#N)[C@@H]1c1ccco1 5266942 YVZWAUFVHUROOV-HXUWFJFHSA-N 375.453 4.370 50 40 GIGB Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(OC(C)C)cc3)c21 5941833 UFQLMPMYCOFGQL-LJQANCHMSA-N 386.455 4.391 50 40 GIGB CN(C(=O)CCl)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918393 IMPPITSCOUNNJN-UOUDCZANSA-N 381.988 4.456 50 40 GIGB O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220758891 ZKVPEYITHRFCNA-GOEBONIOSA-N 395.594 4.442 50 40 GIGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1)C(=O)Nc1ccccc1 408743405 SUOFWLGGVJBUCS-RAXLEYEMSA-N 375.340 4.106 50 40 GIGB N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409069486 JEDYZXIPYGIOFJ-LFYBBSHMSA-N 393.182 4.429 50 40 GIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(OC)c1 409235148 NXFMKYCXRCYIDV-PNWWAVQQSA-N 377.488 4.326 50 40 GIGB Cc1cccc(C)c1OCC(=O)N/N=C/C(Br)=C/c1ccccc1 3115174 SUBPCTXRAJTAGG-NHJUXKLCSA-N 387.277 4.220 50 40 GIGB CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)cc1 4678006 PHNRHNKDDDDDOI-HZHRSRAPSA-N 392.459 4.115 50 40 GIGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc2c(c1)CCCC2 5288014 FRHGRIBDZBBPAV-ZXVVBBHZSA-N 398.506 4.342 50 40 GIGB C/C(=N\NC(=O)c1ccccc1OCCOc1ccccc1)c1cccs1 5787649 KGUHNYVJDCZXCA-CJLVFECKSA-N 380.469 4.360 50 40 GIGB CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)c1ccccc1 28216627 NGRYWPKFWFHFDK-NMWDDECMSA-N 375.472 4.240 50 40 GIGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1cccc(Br)c1 59473381 AJUHDXOKONDGTM-DJKKODMXSA-N 397.725 4.486 50 40 GIGB CCOc1ccc(/C=N/NC(=O)c2cccc(N3Cc4ccccc4C3)c2)cc1 408720386 MMJVGTGDFONYLS-MFKUBSTISA-N 385.467 4.369 50 40 GIGB Cc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1Br 409222251 BHBLQCYFNDTDQW-GIJQJNRQSA-N 396.082 4.284 50 40 GIGB N#C/C(=C\c1cccc(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 874106 DEKFJVOIEQKIKL-MHWRWJLKSA-N 394.272 4.196 50 40 GIGB CC(C)N1C(=O)/C(=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21 15230405 MAIGJXQTWDIQOV-LVWGJNHUSA-N 397.434 4.475 50 40 GIGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2)c1)C(=O)Nc1ccccc1 409273037 UYBHZKZMYWZLOA-XMHGGMMESA-N 397.434 4.250 50 40 GIGB N#C/C(=C/c1ccc(I)cc1)c1ccc2c(c1)OCO2 409365177 QEVWHWMAGRCFIF-QPEQYQDCSA-N 375.165 4.084 50 40 GIGB CCCCC(=O)NNC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)o1 1793436 LRLOWQLEFFTDPG-ZRDIBKRKSA-N 391.265 4.060 50 40 GIGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCO1 4551259 UEFKZVSFMUAIPF-YWFITGJYSA-N 396.874 4.121 50 40 GIGB Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2C1 4922690 UXALFLNQPPWJJG-QGZVFWFLSA-N 379.460 4.354 50 40 GIGB C/C(=N/NC(=O)[C@@H](C)Nc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 5529965 GOSBJSRHNQBECY-JNCAFBRLSA-N 376.416 4.089 50 40 GIGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1ccccc1C#N 408956911 RSRRLVRWVQXGEZ-VUBFKTCSSA-N 387.483 4.414 50 40 GIGB CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 409104445 ISVMPYFBCSGYAN-BOPFTXTBSA-N 393.874 4.486 50 40 GIGB CC/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 695561 QAZUDXIACZNTMW-CAPFRKAQSA-N 380.231 4.375 50 40 GIGB N#Cc1ccc(-c2csc(NNC(=O)c3ccc(Br)cc3)n2)cc1 708627 RNCKVWICHWFBNB-UHFFFAOYSA-N 399.273 4.201 50 40 GIGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1 989067 LSQYPSUTPDEDNN-NRFANRHFSA-N 386.455 4.106 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(O)cc3)c2C)cc1 1090993 LWUIAMSSZHGJJH-AQTBWJFISA-N 387.439 4.354 50 40 GIGB CC1=C(C(=O)OCCCCCl)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 4064525 WSIJGRXWCLQXMV-AWEZNQCLSA-N 391.682 4.184 50 40 GIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccsc2)C(C#N)=C(N)O3)cc1 5924079 HSOMCMJLCASXIR-MRXNPFEDSA-N 378.457 4.145 50 40 GIGB CCOc1ccc(NC(=S)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 6393600 QGBFYEUIMPWGNZ-UHFFFAOYSA-N 387.549 4.009 50 40 GIGB Cc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(Cl)c4)CC(=O)N32)cc1 12276071 HPEUZXYMBWVYSM-UTKZUKDTSA-N 396.899 4.292 50 40 GIGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Cl)c(Cl)c1 59472845 KXMQDRASCPFGTA-UFWORHAWSA-N 398.271 4.285 50 40 GIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)c(OC)c1 408802115 DDQXFLFPBVAOMU-RONKMWSCSA-N 378.472 4.404 50 40 GIGB Cc1c(/C=N/NC(=O)CSc2ccccc2)c(Cl)nn1-c1ccccc1 408891703 BPQGLVBGFVBUHJ-CIAFOILYSA-N 384.892 4.077 50 40 GIGB CC(C)Oc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1Cl 409024441 YDNCEJSDSLLAIU-MSXFZWOLSA-N 397.862 4.205 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cn1 1427509 WYQRZDQWXUTZTM-WYMPLXKRSA-N 393.830 4.027 50 40 GIGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 6813165 ABLNOHCUTYKRPD-GOSISDBHSA-N 392.459 4.368 50 40 GIGB O=C(N/N=C/c1ccc(N2CCCCC2)c(F)c1)c1ccc(N2CCCC2)cc1 7386843 XDXWLYWNBMRPTD-KOEQRZSOSA-N 394.494 4.180 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)cc([N+](=O)[O-])c1O 16195075 HOIQFLQWILEZRE-PXNMLYILSA-N 389.367 4.008 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1O 4673271 FXSWMPGJRZKGRY-WDZFZDKYSA-N 393.226 4.262 50 40 GIGB C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(Br)cc1 5595813 RJURTOSTGZDLGK-BKUYFWCQSA-N 397.276 4.302 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OCC 6942332 XNSVJFPWJDWUDU-OEAKJJBVSA-N 396.443 4.393 50 40 GIGB Cc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N32)cc1 12275496 JKGAKMTYDGZAKA-LAUBAEHRSA-N 396.899 4.292 50 40 GIGB COc1ccc(Cl)cc1C(=O)N/N=C(\C)c1ccc(Br)cc1 15938578 BGGXVMWXISTOGC-VXLYETTFSA-N 381.657 4.265 50 40 GIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(Br)c2)cc1 33571607 GIJRPATYRBWBCR-LCYFTJDESA-N 387.233 4.012 50 40 GIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc(OC)c1OC(C)C 33663694 LKMMGWDWTCPWHH-ZVHZXABRSA-N 392.455 4.408 50 40 GIGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)c1 58914517 YJZKXTVMUNCHSY-FMCGGJTJSA-N 395.846 4.306 50 40 GIGB CC1=NN(c2cccc(Cl)c2)C(=O)[C@@H]1/C=C(\C#N)c1nc2ccccc2[nH]1 100962871 DQAHRSICTAZPGV-LRFDDAOPSA-N 375.819 4.162 50 40 GIGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 104804727 WLLNMFWSJXGGBU-NTMALXAHSA-N 390.877 4.022 50 40 GIGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 208202914 LHBQDVQYRHMSRJ-CYGNYLSHSA-N 380.448 4.081 50 40 GIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2ccccc2c1 3082741 VJQNSNCCRSMNDQ-SSDVNMTOSA-N 386.238 4.235 50 40 GIGB CC(C)[C@@H](NC(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 3167897 BVDQIMKLHJREFA-QHCPKHFHSA-N 377.424 4.413 50 40 GIGB CCCCc1ccc(NC(=O)CCNC(=O)[C@H](Br)CCC)cc1 8733013 SVKAIHSRZCTXQW-MRXNPFEDSA-N 383.330 4.038 50 40 GIGB C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])c1C 33463178 KVFYGDIFHQBABJ-SXGWCWSVSA-N 395.415 4.006 50 40 GIGB Cc1ccc(-n2cccc2/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl 33750849 NNJDFGYEQTWGBJ-XKZIYDEJSA-N 396.834 4.040 50 40 GIGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 51367128 LSEBXPVYZGSTHP-OPAMFIHVSA-N 386.451 4.294 50 40 GIGB ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4O[C@H]4[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl 97974839 ZXFXBSWRVIQKOD-CFKMXOCQSA-N 389.320 4.453 50 40 GIGB Oc1nc(/C(Cl)=C/c2cnn(CCCl)c2)nc2sc3c(c12)CCCC3 206206302 PUVFJWJVJXASHZ-GHXNOFRVSA-N 395.315 4.448 50 40 GIGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)c(C)c1 4553259 CAAWBKFTJLTGST-KRWDZBQOSA-N 391.496 4.014 50 40 GIGB C/C(=N\NC(=O)CCc1ccccc1)c1cccc(NC(=O)c2ccco2)c1 5381511 CLDQNSWJUAUZNI-LFVJCYFKSA-N 375.428 4.005 50 40 GIGB C[C@@H](Cl)C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 9062167 HJYSLWHMNQCCNZ-LLVKDONJSA-N 386.864 4.023 50 40 GIGB COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1 28495831 CJEFJMBZNXBOPE-FYWRMAATSA-N 378.428 4.089 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc2ccccc2c1 59334244 MCJNZWWLVJHAJE-MTJSOVHGSA-N 386.451 4.423 50 40 GIGB CC(C)(C)[C@H]1CCc2sc(C(=O)NNc3nc(-c4ccncc4)no3)cc2C1 60362606 IVCZMOJFLVUDOY-AWEZNQCLSA-N 397.504 4.101 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)cc1Cl 409002457 UZDFAYMOIICCQJ-YDZHTSKRSA-N 396.830 4.079 50 40 GIGB COc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1 409367704 DVAPTPFUTZCBCP-HXUWFJFHSA-N 391.471 4.452 50 40 GIGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@H](O)c1ccccc1 1248185 PGOLRVCYBFAMOA-SZMVHAFZSA-N 388.345 4.149 50 40 GIGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@H]1COc2ccccc2O1 3114855 RCAKEVYHAAQNGU-RWOVVYLESA-N 382.419 4.283 50 40 GIGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N3C2)cc1 4922698 OCAUNWRHXNFUAD-GOSISDBHSA-N 379.460 4.354 50 40 GIGB N#CC1=C(N)OC(C(F)(F)F)=C(c2nc3ccccc3o2)[C@@H]1c1ccncc1 5395265 DYBQLDCASIGMSX-CQSZACIVSA-N 384.317 4.004 50 40 GIGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)c1C 9110580 WDMPMPTWTZPDKL-QGZVFWFLSA-N 391.496 4.014 50 40 GIGB Cc1ccc([C@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)s1 13916328 BHVFBPLHNPDPLI-LJQANCHMSA-N 390.512 4.392 50 40 GIGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 14151918 KUPPHLXMRGAKGO-RVDMUPIBSA-N 376.485 4.110 50 40 GIGB CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(C)cc1C 16693148 CLHHQCUDKHNFKG-OYKKKHCWSA-N 376.456 4.384 50 40 GIGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1O 33304551 MNJZNJHCLXTVFJ-WZUFQYTHSA-N 393.226 4.262 50 40 GIGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(F)c2)cc1OC 107797150 MKFKWQQVNFNNPQ-VTGBELTLSA-N 378.831 4.429 50 40 GIGB CCOc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc1OCC 408913937 VIMQMQRFFXKQBC-LFVJCYFKSA-N 398.503 4.274 50 40 GIGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccc(OC)cc2)c1C 408968730 YHIYNICGCPRQDY-XYGWBWBKSA-N 389.499 4.358 50 40 GIGB CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(C)cc1 989069 QKMNAGUNFNLKEW-NRFANRHFSA-N 386.455 4.106 50 40 GIGB C/C(=N/NC(=O)Cc1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 5884221 YMYJUCLQJFMJCH-UQQQWYQISA-N 377.488 4.288 50 40 GIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(O)cc1 6931392 PTFGTPOJCGXMIE-LPYMAVHISA-N 388.452 4.070 50 40 GIGB CCCCCCCCC(=O)N/N=C/c1c[nH]nc1-c1ccc(OC)c(OC)c1 8399577 BJVDJNJACZYZMW-HYARGMPZSA-N 386.496 4.295 50 40 GIGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 33658337 QCXYBGXQWDTEEJ-WSDLNYQXSA-N 384.819 4.381 50 40 GIGB COc1ccc(-c2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)o2)cc1 644879 BWTBLDONTCRMSA-HXUWFJFHSA-N 390.439 4.406 50 40 GIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@@H](O)c1ccccc1 1103959 FQCKJZHXEYDTIU-QPHXDFOYSA-N 389.238 4.437 50 40 GIGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1c(F)cccc1Cl)CO2 4871412 ANWCZVHSSOHEFB-ZASXCATISA-N 390.842 4.067 50 40 GIGB COc1cc(C(=O)N/N=C(\C)c2ccc3ccccc3c2)cc(OC)c1OC 5381694 XPFMDDSTVVVJQW-OEAKJJBVSA-N 378.428 4.020 50 40 GIGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)NCc1ccco1 6221997 JZLWDKFSWZWXQV-MDWZMJQESA-N 397.774 4.325 50 40 GIGB C[C@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 16712946 FLVKQSUCJXTORD-CCQDZNTNSA-N 390.321 4.123 50 40 GIGB CCOc1ccccc1[C@H]1CC(=O)N2CN(C3CCCCC3)CSC2=C1C#N 20348357 PIXUXVSRHBRGCF-GOSISDBHSA-N 397.544 4.433 50 40 GIGB CC(C)COc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc12 408735386 RCFSCVUXQIQIPT-TVNWYLLRSA-N 378.472 4.077 50 40 GIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)cs3)cc2c1 409189030 HISMBCMGZWIYGM-LSCVHKIXSA-N 393.262 4.419 50 40 GIGB CCOc1ccc(C(=O)N/N=C(\C)c2cccc(NC(=O)c3ccco3)c2)cc1 6048038 JUPJAIMBKPJTFE-BUVRLJJBSA-N 391.427 4.085 50 40 GIGB Cc1ccc(CC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3F)c2)cc1 408951512 JAUWZQVNEASYMS-MFKUBSTISA-N 390.414 4.046 50 40 GIGB CCOc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)cc1 408953167 OPCWPMLARXKEBN-KQWNVCNZSA-N 391.475 4.098 50 40 GIGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408992815 SWXDSOYFBBKKQW-UUYOSTAYSA-N 396.834 4.420 50 40 GIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2)o1 409150730 DMBWWXVUGSTUIY-IKMPRTQCSA-N 393.399 4.081 50 40 GIGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c1 1211544 GOFVBHPDRYPBKD-MDWZMJQESA-N 387.233 4.012 50 40 GIGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc(C(C)(C)C)cc2)cc1 4513623 ZMOLEMBGNLTDPO-LJQANCHMSA-N 393.512 4.293 50 40 GIGB CCCCc1[nH]nc2c1[C@@H](c1ccc(OC3CCCC3)cc1)C(C#N)=C(N)O2 4631724 PNCVGPMUFROXFW-IBGZPJMESA-N 378.476 4.292 50 40 GIGB COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Cl)c(C)c1 5540392 ZOAMBBNTVDVQBG-FSJBWODESA-N 382.847 4.339 50 40 GIGB CCCCC(=O)Oc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1OC 6962450 JAZQWACWFKGOGK-GHRIWEEISA-N 394.475 4.173 50 40 GIGB C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(I)cc1 408785694 YFYRGKVUNRHJEW-VCHYOVAHSA-N 398.631 4.099 50 40 GIGB COc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccccc3)s2)cc1 887385 FFSKVADJKHVRMM-GZTJUZNOSA-N 375.453 4.288 50 40 GIGB N#C/C(=C\Nc1cc(C(F)(F)F)ccn1)S(=O)(=O)c1ccc(Cl)cc1 5390835 VFJHYAWYKHLWRH-UKTHLTGXSA-N 387.770 4.005 50 40 GIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1 6963026 GZPOJABUXNLCHJ-JJEHFPDLSA-N 393.487 4.228 50 40 GIGB CN(NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccccc1 15832513 YCCZSGFEWWKMBZ-UHFFFAOYSA-N 393.512 4.033 50 40 GIGB CCOc1ccc(/C=N\NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 32701883 TXNNRVCFAMXGME-UQQQWYQISA-N 389.499 4.459 50 40 GIGB O=C(N/N=C/c1ccc(OCCSc2ccccc2)cc1)c1ccncc1 41078019 BVEXMTUPYPLJNK-XQNSMLJCSA-N 377.469 4.017 50 40 GIGB O=C(CBr)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)cc1 98210699 HLLOESJGNGIHCD-VIFPVBQESA-N 381.066 4.068 50 40 GIGB CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)[C@@H]1C2 102979908 FGJNYFXZKUUTPQ-RBCCBENGSA-N 387.698 4.332 50 40 GIGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(Cl)c(Cl)c1 107545593 JRIMPJBRLUCKBF-AUEPDCJTSA-N 398.249 4.257 50 40 GIGB COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCc1ccccc1 217037502 YELLMDSYRGZCDK-HAHDFKILSA-N 375.428 4.430 50 40 GIGB COc1ccc(C(C)=NNC(=O)c2cc(C3CC3)nc3ccccc23)c(OC)c1 245238454 PJCLXGMWUSYXRQ-UHFFFAOYSA-N 389.455 4.283 50 40 GIGB CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1O 408905397 YKHLJRVUKMULEE-GRSHGNNSSA-N 392.253 4.017 50 40 GIGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(Br)o1 408997518 GXYNBXKJUXIPTR-REZTVBANSA-N 387.686 4.079 50 40 GIGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC)c(Cl)c2)cc1OC 409312898 OFWBSSHQKNVESU-XKZIYDEJSA-N 388.851 4.076 50 40 GIGB COc1ccccc1NC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1ccc(C)o1 876089 WRIMVSONHDXTTI-IBGZPJMESA-N 395.484 4.294 50 40 GIGB Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)c2c1 1008026 FWRUJWDMZWPICQ-SRZZPIQSSA-N 394.456 4.002 50 40 GIGB Cc1cc2cccc(C)c2nc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 4167466 ZCLFUFDWPZJCAQ-UHFFFAOYSA-N 399.903 4.058 50 40 GIGB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N/N=C/c1ccc(F)cc1 4700022 WDOQWKSKTPKSTE-KOEQRZSOSA-N 389.430 4.421 50 40 GIGB O=C(NNC(=O)[C@@H]1CC=CCC1)c1ccccc1OCc1ccc(Cl)cc1 13001266 CDNRBUWETKLWSY-MRXNPFEDSA-N 384.863 4.036 50 40 GIGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2ccccc2)c2ccccc21 14134881 MZISCEWBVOTXPU-JVWAILMASA-N 392.462 4.254 50 40 GIGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)o2)cc1 15228236 UJERDFYUUQMIIH-QRVIBDJDSA-N 388.379 4.243 50 40 GIGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 33658528 ADGSJBHYDFBYNF-AYCSXLNKSA-N 394.427 4.116 50 40 GIGB O=C(CSc1nc2ccccc2s1)NNC1=Nc2cccc3cccc1c23 2311267 HLCKQDYCTPHAAD-UHFFFAOYSA-N 390.493 4.254 50 40 GIGB CCOc1cc(/C=N/NC(N)=O)ccc1OCCOc1ccc([C@@H](C)CC)cc1 4576126 BEHXLMAEIWQHSV-WTJYETQFSA-N 399.491 4.059 50 40 GIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 4723462 SZWMYRKBIPDTSI-LFIBNONCSA-N 380.831 4.215 50 40 GIGB CCCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 5793617 OLCHFQUYZPTXRJ-HZHRSRAPSA-N 391.427 4.085 50 40 GIGB C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 408786056 KODOEVLIZIVQFN-LGUFXXKBSA-N 383.495 4.399 50 40 GIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC#N 408793302 DNRSHXBXTZDBLY-LDADJPATSA-N 375.428 4.150 50 40 GIGB CCOc1ccccc1C(=O)N/N=C/c1c[nH]c2ccc(Br)cc12 993726 NDMINICYZQQIKX-SRZZPIQSSA-N 386.249 4.093 50 40 GIGB N#CC1=C2CCCC[C@H]2[C@H](c2cccc(Br)c2)C(C#N)(C#N)C1=O 2297487 KGRIVQHVDXWUEI-WBVHZDCISA-N 380.245 4.159 50 40 GIGB C=CCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nc2ccccc21 5619149 OMOYFBRMDCUCKB-UHFFFAOYSA-N 387.468 4.156 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] 5942714 OZSMDTHYZLUBLU-OEAKJJBVSA-N 389.411 4.246 50 40 GIGB Cc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1N1CCCC1 408845482 HERPBNBGHJTGHN-BKUYFWCQSA-N 386.293 4.122 50 40 GIGB COCCCNC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccccc3s2)o1 408859935 VUUZDQRPRKISHB-ACCUITESSA-N 399.497 4.100 50 40 GIGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)C(=O)NCCCc1ccccc1 409235654 PNEPSMVHKATVTP-HKWRFOASSA-N 377.463 4.082 50 40 GIGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(C(C)C)c(OCC)cc1C 818610 KMDZFMHHAVFCCV-FQEVSTJZSA-N 384.476 4.162 50 40 GIGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1)c1ccccc1 3082017 DACPWGXTXWSFGK-OEAKJJBVSA-N 377.831 4.356 50 40 GIGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3C)o2)c1 13586149 FKQXZHNFTRKPCV-OEAKJJBVSA-N 376.412 4.196 50 40 GIGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1ccccc1 28215793 BXZUHOWHDLUEOI-OEAKJJBVSA-N 377.513 4.478 50 40 GIGB Cc1ccc(C(=O)N/N=C/c2cccn2-c2ccc(Br)cc2)cc1 59303152 HQQGAEHXCLFKOB-FYJGNVAPSA-N 382.261 4.312 50 40 GIGB C[C@H](CCC(=O)NN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253505214 BXSPCFWJSALCFW-JWFYPXJISA-N 390.612 4.412 50 40 GIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(Br)c(C)o2)cc1 409131475 JDDJRFZXUUTHCC-BEAUZRKQSA-N 381.295 4.290 50 40 GIGB