smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(N(C)S(C)(=O)=O)cc1)O2 587409961 OTGBLTMSCQCFLX-LJQANCHMSA-N 408.907 3.073 50 1 HGGF OB(O)c1ccc(OCc2ccccc2)cc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN12 963096122 CQBSCKLFPTZDDM-CJFMBICVSA-N 417.289 3.194 50 1 HGGF CCOc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccc3c(c2)OCCO3)cc1OCC 84690163 HUYWXOJOSJHKPM-VSIOZEBNSA-N 414.458 3.093 50 1 HGGF CC(=O)O[C@@H]1C(CO[Si](C)(C)C(C)(C)C)=C(Br)C(=O)[C@H]2O[C@@]21C 206874596 SKMOFBACQDORIZ-IIAWOOMASA-N 405.361 3.329 50 1 HGGF COc1ccc2c3c1O[C@@H]1[C@]4(OC)C=C[C@@]5(C[C@@H]4[C@@H](C)N=C=S)[C@@H](C2)N(C)CC[C@]315 100660483 XVYDBKXHAQVZDF-WDDNWWIVSA-N 424.566 3.407 50 1 HGGF O=C(Cn1c(-c2ccncc2)nc2ccccc21)NNC(=S)Nc1ccccc1 29123887 UUFPMLSKMJFYOY-UHFFFAOYSA-N 402.483 3.116 50 1 HGGF CCO[C@H](CO)[C@@H](Oc1ccc(/C=C/C=O)cc1OC)c1ccc(O)c(OC)c1 238785817 BSICIQGJYAQPRY-YPXJWJENSA-N 402.443 3.139 50 1 HGGF COc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(CCOC(=O)NCCCl)CC3 25969618 SZYDNEDTLQXYDM-QGZVFWFLSA-N 416.905 3.488 50 1 HGGF CC1(C)CC[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@]12O 238761183 CONURYKPFPSXNB-PZBQBTNVSA-N 412.482 3.219 50 1 HGGF NNC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587024915 CJPWKGCRBKSXRL-KYNGSXCRSA-N 423.542 3.303 50 1 HGGF CCCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](c3cc(OC)ccc3OC)[C@@H]2C1 169688751 FPTLHIJRNMYTQK-CTNGQTDRSA-N 403.486 3.406 50 1 HGGF COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([C@@H](C)N=C=S)C2 36311330 XVYDBKXHAQVZDF-MPOKQVBNSA-N 424.566 3.407 50 1 HGGF COc1cccc(/C=N\NC(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)c1 33336782 OQUPXMMXORDSBV-WNFQYIGGSA-N 409.393 3.429 50 1 HGGF COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1NC(=O)CCl)OCO4)[C@@H](C2)C3=O 587418917 CAYSQYOSAICDIA-YEJXKQKISA-N 415.829 3.264 50 1 HGGF O=C(N/N=C1\CCc2cccc(O)c21)c1cccc(S(=O)(=O)Nc2ccccc2)c1 1857557816 NVGQTAZRBUBHRF-FCDQGJHFSA-N 421.478 3.273 50 1 HGGF Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 587747743 RPYIAIZUNSVIEN-BIBXISHDSA-N 417.278 3.436 50 1 HGGF CC(C)C[C@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618008664 JGQCKCQLTIDVDO-OAHLLOKOSA-N 407.646 3.327 50 1 HGGF CCC[C@@H](C[C@@H](CCl)OC(C)=O)OC(=O)C(Br)Br 2356790964 GFYKJFVSIXNFHG-IUCAKERBSA-N 408.514 3.375 50 1 HGGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]12 136710509 KGBITPLFAPVFHQ-NAPVJOBCSA-N 418.486 3.085 50 1 HGGF c1cncc(O[Si](Oc2cccnc2)(Oc2cccnc2)Oc2cccnc2)c1 195498554 QMAXAKSMLUEBAY-UHFFFAOYSA-N 404.458 3.318 50 1 HGGF CCN(c1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1)S(C)(=O)=O 587408528 HFYZEKKACCCNQP-HXUWFJFHSA-N 422.934 3.463 50 1 HGGF COc1ccc(C2=C[C]3c4cc(OC)c(OC)cc4CCN3C(N)=C2C#N)cc1OC 2356844101 GXHDSWQJYZTUJR-UHFFFAOYSA-N 418.473 3.250 50 1 HGGF OB(O)c1ccc(OCc2ccccc2)cc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963096125 CQBSCKLFPTZDDM-CPJSRVTESA-N 417.289 3.194 50 1 HGGF CN(CCCl)[C@@H]1CC[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 169359674 MSUIGQZUZUIMHT-KIRBEMFZSA-N 402.966 3.381 50 1 HGGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CBr)c1ccc(Cl)nn1 963608396 KZHCLRYFJZTMMN-BTDLBPIBSA-N 412.715 3.320 50 1 HGGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]12CCN(c1ncnc3[nH]ccc13)C2 143667963 SVNCRVDSLAQSCK-FQEVSTJZSA-N 408.418 3.110 50 1 HGGF CCCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O 587326777 CTEHWALQRNDWIG-HFSMHLIXSA-N 416.836 3.474 50 1 HGGF N[P@@](=O)(OCCc1noc2ccc([N+](=O)[O-])cc12)N(CCCl)CCCl 27621168 DUFAVCOHTHNEBG-RUZDIDTESA-N 411.182 3.142 50 1 HGGF C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(OC(C)=O)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO 42877582 FRLNJCYJMRBLCV-QKAGPBIOSA-N 408.491 3.268 50 1 HGGF Cc1ccc(-n2cnnc2SCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1Cl 586967921 JACCDOMYRCDLJW-UHFFFAOYSA-N 413.894 3.001 50 1 HGGF COc1ccc(/C=N/NC(=O)CSc2nnnn2-c2cccc3ccccc23)cc1 103276489 SMMVJDOJNACYPE-LPYMAVHISA-N 418.482 3.067 50 1 HGGF COc1cc(C)ccc1[C@@]1(CBr)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963508670 KUBQRMYVGSNSSQ-MGPUTAFESA-N 420.303 3.255 50 1 HGGF Cc1cc2c(cc1O)[C@@](CBr)(c1ccc(F)cc1F)N[C@H](C(=O)O)C2 963521825 CJMOMYLKMSPKDX-MAUKXSAKSA-N 412.230 3.216 50 1 HGGF CC1(C)CC[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(C)[C@H](C=O)C(C=O)=CC[C@@]12O 2356681697 CONURYKPFPSXNB-CDPNLFKUSA-N 412.482 3.219 50 1 HGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(Br)c1O 13586118 ZQILFCRZYYFVTK-KRWDZBQOSA-N 416.275 3.447 50 1 HGGF O=c1cc(CCl)oc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O 96922704 WGRXGFIVTOYROA-UHFFFAOYSA-N 402.800 3.425 50 1 HGGF CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321206 CJXVBASXJCUHJQ-NBHGPNQESA-N 420.820 3.389 50 1 HGGF Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3cccnc3)cc2)c1C 299832896 UKLXHVRNOKQVNW-MHWRWJLKSA-N 423.454 3.033 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1C)[C@H]2O5 101617920 WTVMVUJOBOGEOT-ZYAQRSCGSA-N 410.539 3.104 50 1 HGGF COC(=O)CC[C@]1(CCl)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963193353 ZVVZFYIIHQGXJA-IUODEOHRSA-N 414.207 3.345 50 1 HGGF COc1ccc(/C=N/N(C(=O)c2cccnc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 66251905 GSJAPZHSCURQJA-YDZHTSKRSA-N 404.382 3.315 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@@H](C)N=C=S)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 169728600 WTVMVUJOBOGEOT-JTXBMKTASA-N 410.539 3.104 50 1 HGGF CCOC(=O)C1=C(/C=C/C#N)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 169723452 KDPMDERPFVVZQC-CVRCPQJVSA-N 411.414 3.229 50 1 HGGF CC(C)N1N=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](Cl)C1=O 587707420 VORVZGJPDGDZTF-OYBNVQJLSA-N 402.695 3.162 50 1 HGGF CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCCBr)cc2)C1=O 103294053 PADUOKGJTXEALA-LCYFTJDESA-N 414.277 3.060 50 1 HGGF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](Cl)C[C@@]21C 253637379 VMBNVFFKWHQNCC-OWDOTMIMSA-N 420.933 3.375 50 1 HGGF CCCCNc1nc(NNC(=O)c2ccncc2)nc(N2CCCc3ccccc32)n1 58494367 QPTQGWCHXDTALH-UHFFFAOYSA-N 418.505 3.320 50 1 HGGF COc1ccc(NC(=O)NNC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)cc1 73139259 YYQWRRGZMCHMMG-UHFFFAOYSA-N 420.347 3.022 50 1 HGGF CC(C)(C)OC(=O)N[C@@H](CCCCCB(O)O)C(=O)Nc1cnc2ccccc2c1 195109548 QAGGHXSLYHBTGS-SFHVURJKSA-N 415.299 3.100 50 1 HGGF CCCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Cl)C1=O 587326783 CTEHWALQRNDWIG-YFVAEKQCSA-N 416.836 3.474 50 1 HGGF COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587689445 SLLPOIIBAJOIEE-WILFGZOFSA-N 418.690 3.077 50 1 HGGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)NCCc2nc3ccccn3c21 962990601 RMYKYQXNETUELR-PXNSSMCTSA-N 414.303 3.050 50 1 HGGF CC(=O)OCC(=CCc1cc(OC(C)=O)ccc1OC(C)=O)CCC=C(C)C=O 2356524089 PTFRLNDWAMMBFM-UHFFFAOYSA-N 402.443 3.495 50 1 HGGF CN(CCCl)[C@@H]1CC[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 169359676 MSUIGQZUZUIMHT-FKQDBXSBSA-N 402.966 3.381 50 1 HGGF CC(C)Oc1cc2nc(CCNC(=O)CBr)[nH]c2cc1Br 586970998 JUAKDZIGIMBZQS-UHFFFAOYSA-N 419.117 3.166 50 1 HGGF COc1cc2c3c(c1)O[C@@](CCl)(CCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587416941 GRTVUABAZYQBFT-KSFYIVLOSA-N 411.841 3.107 50 1 HGGF O=C1C=CC([N+](=O)[O-])=C/C1=C\NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 15974298 SEPSTABQECNFME-JQIJEIRASA-N 412.405 3.320 50 3 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Br)S(C)(=O)=O)O2 587408326 LVCMQBAHZZJNBZ-ROUUACIJSA-N 424.316 3.204 50 1 HGGF COC(=O)[C@H](Cl)[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587721366 POWDICKWAPTNPK-DCHUIVQRSA-N 400.622 3.363 50 1 HGGF C=C1CCC=C(C)[C@H](OC(C)=O)[C@@H]2OC(=O)C(=C)[C@@H]2C[C@@H]2O[C@]2(C)CC[C@@H]1OO 2356462098 GFWUCUVAEYBQOX-LTYIQVFOSA-N 406.475 3.498 50 1 HGGF N#C/C(=C\N1CCN(C(=O)c2ccco2)C1=S)C(=O)Nc1ccc(Cl)cc1 40406474 XOEBLQNXRXTYEU-VAWYXSNFSA-N 400.847 3.022 50 1 HGGF CN(C)Cc1nc2ccccc2n1CCC(=O)N/N=C/c1c(O)ccc2ccccc12 96929699 ADLMTNJWHZZUDU-MFKUBSTISA-N 415.497 3.497 50 1 HGGF CC=CC=CC=CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C(=O)O)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356558398 YOWISNGQSRPIPP-GNRVTEMESA-N 402.487 3.374 50 1 HGGF C[C@H](S[C@H](C)C(=O)N/N=C\c1ccc(F)cc1)C(=O)N/N=C/c1ccc(F)cc1 31637689 WQZBJECPVQLPCI-OQOIHLKCSA-N 418.469 3.075 50 1 HGGF CCOC(=O)[C@]1(CCBr)CCC[C@@]12NCCc1c(C(=O)O)cccc12 963119452 FEJLUUIMKMUSTR-MOPGFXCFSA-N 410.308 3.244 50 1 HGGF COc1nc2ccc(Cl)cc2cc1[C@H]1[C@H](Cl)C(=O)N1NC(=O)c1ccncc1 1772653978 MXOFHJNLFZSADB-HOTGVXAUSA-N 417.252 3.128 50 1 HGGF COc1cc(/C=N/NC(=O)Cc2cc(=O)oc3c(C)ccc(C)c23)cc(OC)c1OC 40916886 XTOOCQPRTOQELC-WYMPLXKRSA-N 424.453 3.128 50 1 HGGF COc1ccc(/C=C(\C#N)Cn2nnn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1 98084840 OGHKSVUYKRGXNQ-GXDHUFHOSA-N 401.348 3.064 50 1 HGGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2CNc2c3cccc2[N+](=O)[O-])cc1OC 1772631923 RANMAIRKHPDEIG-GOSISDBHSA-N 406.398 3.256 50 1 HGGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@H]1c1cc(B(O)O)ccc1Cl 963186074 GCJOYMRUROHVRH-GOTSBHOMSA-N 402.690 3.232 50 1 HGGF CC=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1OC(C)=O)[C@@]1(C)C(C=O)=CCC[C@@H]1C 2356474339 NSALWXIRBGWDKK-CUXGGIFKSA-N 404.459 3.188 50 1 HGGF OC[C@H](O)[C@@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586893370 XNTQGLSMHZIRRG-IONNQARKSA-N 413.162 3.369 50 1 HGGF COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689443 SLLPOIIBAJOIEE-QGVFVLOBSA-N 418.690 3.077 50 1 HGGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@H]1c1cc(B(O)O)ccc1Cl 963186076 GCJOYMRUROHVRH-PKTZIBPZSA-N 402.690 3.232 50 1 HGGF C[C@@H]1O[C@@]2([C@@H](CO)OCOCc3ccccc3)CO[C@H]1[C@H]2O[Si](C)(C)C(C)(C)C 2356705585 VKNZRUAREFLWJE-CUUFHOINSA-N 424.610 3.485 50 1 HGGF COc1ccc(N[C@H](C)C(=O)N/N=C\c2cc(Br)ccc2OC)cc1 15961326 RBIPRARFXNSRFU-WXYNYTDUSA-N 406.280 3.417 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1Br)O2 587372371 KTKNHQOOTGTPFA-KSSFIOAISA-N 411.296 3.295 50 1 HGGF Cc1ccc(C(=O)N/N=C/c2ccc(OCCn3c([N+](=O)[O-])cnc3C)cc2)cc1 473107045 ZZFGGKQMQLQUDM-YDZHTSKRSA-N 407.430 3.251 50 1 HGGF COC(=O)[C@H](Cl)[C@@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587721368 POWDICKWAPTNPK-ZDJGWFFZSA-N 400.622 3.363 50 1 HGGF COc1ccc(Cl)cc1C#Cc1ccc([C@H]2C(=O)NC(=O)[C@@H]2Br)cc1 587899931 JVUIPDKYQCCDKC-IAGOWNOFSA-N 418.674 3.252 50 1 HGGF Cc1ncccc1[C@]1(CBr)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963222437 GMKQTQKELRHEIZ-QUCCMNQESA-N 412.287 3.176 50 1 HGGF Cc1cc([C@]2(CBr)NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1O 963034185 QSSFPFDVSXJSNI-XCLFUZPHSA-N 401.304 3.392 50 1 HGGF COc1ccc(/C=N/NC(=O)c2cc(Br)c(Br)n2C)cc1 169702866 UZPAGBXXUGJFHY-CAOOACKPSA-N 415.085 3.323 50 1 HGGF CCCOc1cc2nc(CCNC(=O)CBr)[nH]c2cc1Br 586971051 LEFUKEYQTUNTFO-UHFFFAOYSA-N 419.117 3.168 50 1 HGGF C=C1CC/C=C(\C)[C@H](OC(C)=O)[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2O[C@@]2(C)CC[C@H]1OO 238787861 GFWUCUVAEYBQOX-ACUDDUCFSA-N 406.475 3.498 50 1 HGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(N)=O)n(C)c2)N1 587681785 ARINMJRHDWTEBD-VVVCHXIZSA-N 414.706 3.042 50 1 HGGF C[C@@H]1CCCC[C@H]1[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C/COCC(=O)O 60027310 JPMWVHYATGJOOX-YFHYQTHCSA-N 400.943 3.382 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@@]12O 15115436 SJZRUQOYQZRISL-ZGCCROSNSA-N 400.471 3.264 50 1 HGGF endogenous,in-man N#CC1=C([C-](C#N)C#N)N[C@@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@H]1c1cccs1 195330896 WZTPXPWEUVKTTF-YFNKSVMNSA-N 423.501 3.208 50 1 HGGF COC(=O)c1cc2c(cc1OCc1ccccc1)N(S(C)(=O)=O)C[C@H]2CCl 27412164 PUWITKHWGDTDBI-CQSZACIVSA-N 409.891 3.154 50 1 HGGF COc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccc(C)cc1 33422046 NKPNHVBFTBWXHW-MXAYSNPKSA-N 418.453 3.180 50 1 HGGF Cc1nonc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673831 QPOLOCXXEYSGMM-JKYUHCHBSA-N 419.092 3.452 50 1 HGGF COC(=O)c1c2cc[n+](CCNC(=O)N(C)N=O)cc2c(C)c2c1[nH]c1ccccc12 169350009 SYZKDDKQESODMC-UHFFFAOYSA-O 420.449 3.180 50 1 HGGF CC(=S)NC[C@H]1CN(c2ccc(/C=C(\C#N)n3nc4ccccc4n3)cc2)C(=O)O1 38334477 LRECCDZDEKVCQN-LTXFRBGYSA-N 418.482 3.215 50 1 HGGF CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)NCCCSSCCN(C)C 618008442 GEFDYPNMZRLOAT-GOSISDBHSA-N 411.637 3.280 50 1 HGGF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1sc(=O)n(CCCl)c1Cl 963609239 NEMWNNSZRRWSRB-LKFCYVNXSA-N 403.331 3.443 50 1 HGGF COC(=O)C1=CN(c2ccc(OC)cc2OC)C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 95569690 RGUVPVAJFMWLCH-OAQYLSRUSA-N 421.453 3.067 50 3 HGGF CCOC(=O)[C@@H]1CCC[C@@H](Br)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587416737 DKSCDEDNLZDLBG-HXYMJUCXSA-N 409.276 3.308 50 1 HGGF COc1cc2c3c(c1)O[C@]1([C@@H](Br)[C@H]4CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O 587418994 VSZFLHOIDPOPJA-OGJQZVJNSA-N 421.287 3.466 50 1 HGGF CC(=N)Nc1cccc(C(=O)NNC(=O)C[C@@H](CC(=O)O)c2ccc(Cl)cc2)c1 13862971 PWRWRUDHYRCDSB-HNNXBMFYSA-N 416.865 3.159 50 1 HGGF CC1(C)CC[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@]12O 2356681698 CONURYKPFPSXNB-NVXDSCFRSA-N 412.482 3.219 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Br)S(C)(=O)=O)O2 587408319 LVCMQBAHZZJNBZ-MSOLQXFVSA-N 424.316 3.204 50 1 HGGF COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc3c(c2)OCCO3)ccc1C(F)(F)F 84671613 ZAVNBVYHXSHANL-SFQCIDFKSA-N 424.375 3.323 50 1 HGGF CC(=O)NNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1 35848898 QRIAOTJJLBAURX-UHFFFAOYSA-N 419.890 3.052 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 36311345 WTVMVUJOBOGEOT-MUIOGDRLSA-N 410.539 3.104 50 1 HGGF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](Cl)C[C@]21C 58487345 VMBNVFFKWHQNCC-DCJPYBRISA-N 420.933 3.375 50 1 HGGF CC1=C(CO[P@@](N)(=O)N(CCCl)CCCl)C(=O)c2ccccc2C1=O 26852143 UUZZTXDOLUXZNC-RUZDIDTESA-N 405.218 3.245 50 1 HGGF O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C/C=C/c1ccc(Br)cc1 36046961 XQAWEFHZLKKXEC-WSBYUQNDSA-N 412.287 3.094 50 1 HGGF CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccc(Br)cc4)[C@H]3[C@H]1CC2 13142937 JQOWUEPPUWFFJG-JEDBISTDSA-N 420.314 3.335 50 1 HGGF C[C@@H]1CCCC[C@@H]1[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C/COCC(=O)O 60027308 JPMWVHYATGJOOX-TWEBCOGBSA-N 400.943 3.382 50 1 HGGF in-vitro COC(C)(C)[C@@H](Br)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586971166 NISFPCDDMQXLQB-LBPRGKRZSA-N 406.284 3.483 50 1 HGGF C[C@H]1OO[C@@H](COC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)[C@@H]2O[C@H]12 102259500 FMSPEMZCJBAPCE-KNABZNKPSA-N 401.297 3.140 50 1 HGGF O=C(N/N=C\c1ccc(O)cc1)c1ccccc1NS(=O)(=O)c1cccs1 103059491 VTRWWEFOWQLRBL-UNOMPAQXSA-N 401.469 3.018 50 1 HGGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O 587413694 PCYHEMFHCUBYFJ-IFXJQAMLSA-N 403.228 3.431 50 1 HGGF O=C(OC1CC1)c1ccc([C@@]2(CBr)NCCc3ccc(O)cc32)cc1 963329717 ROKZRJHMJKKEJD-HXUWFJFHSA-N 402.288 3.496 50 1 HGGF O=C(/C=C/c1ccc(C(F)(F)F)cc1)NC(=S)NNC(=O)Cc1cccs1 205570595 VLHQIMJOMAPEPX-VMPITWQZSA-N 413.446 3.045 50 1 HGGF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1sc(B(O)O)cc1Br 963256760 DSFQMNMYNDDSFJ-KZULUSFZSA-N 408.170 3.111 50 1 HGGF COC(=O)[C@H](Cl)[C@@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587714649 AIQJHKMKAYVFRO-ZDJGWFFZSA-N 400.622 3.363 50 1 HGGF N#Cc1ccc(OCC(=O)NN/C=C2\SC(=Nc3ccccc3)N=C2Cl)cc1 263591502 YKHBUNQMIJSLTC-GJXXPDGXSA-N 411.874 3.471 50 3 HGGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 84615074 WTVMVUJOBOGEOT-MSTBNJGASA-N 410.539 3.104 50 1 HGGF CC1(C)CC(/N=C(/O)NP(=O)(N2CC2(C)C)N2CC2(C)C)CC(C)(C)N1[O] 101969259 OAEPJYMYOMBVBW-UHFFFAOYSA-N 400.484 3.154 50 1 HGGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1sc(B(O)O)cc1Br 963256761 DSFQMNMYNDDSFJ-SGTLLEGYSA-N 408.170 3.111 50 1 HGGF CCOC(=O)CN1C(=O)[C@@H](OC)[C@H]1C(CC)(CC)SSC(C=O)(CC)CC 73162416 GUYKHEUKZKYPRT-HOTGVXAUSA-N 419.609 3.473 50 1 HGGF C[C@]12CCC(=NNC(N)=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NNC(N)=S)CC[C@@H]12 2356762380 VRARBZPXAFLRSH-KUVPCWQVSA-N 416.595 3.163 50 1 HGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc(O)c3O)cc(Br)c1OC 38153941 NXJDWSFSAVXKMI-AWEZNQCLSA-N 419.231 3.096 50 1 HGGF O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1ccc(Cl)c(F)c1 73158611 YAQJYIVAWSUVBD-LIMNOBDPSA-N 418.881 3.280 50 1 HGGF CCC(C=O)(CC)SSC(CC)(CC)[C@@H]1[C@@H](OC)C(=O)N1CC(=O)OC 73162434 PXRCUGGKHPNRKA-CABCVRRESA-N 405.582 3.083 50 1 HGGF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cc2F)c1 587143895 MVVNKYBPSJZHBK-UHFFFAOYSA-N 420.400 3.346 50 1 HGGF COc1cc2c3c(c1)O[C@@](CNC(=O)CCl)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419525 DROSPHYSTGBWBA-YWZLYKJASA-N 406.265 3.347 50 1 HGGF N#C/C=C/c1cc(F)cc(Oc2ccc(F)cc2OCCn2ccc(=O)[nH]c2=O)c1 73196331 USRHSVZSPKDGMT-OWOJBTEDSA-N 411.364 3.223 50 1 HGGF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(C#N)c(O)nc2CC[C@H]1Br 587374852 ZUIVGPQERLJIHV-APWZRJJASA-N 414.259 3.120 50 1 HGGF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](Cl)C[C@]21C 253637383 VMBNVFFKWHQNCC-PSQPFDPUSA-N 420.933 3.375 50 1 HGGF Cc1[nH]n(-c2cccc3ccccc23)c(=O)c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 169330734 LGTJLDGTBSGKRE-YDZHTSKRSA-N 415.409 3.299 50 1 HGGF O=C/C=C1\O[C@@H]2CC(=O)N2[C@]1(C/C=C/c1ccccc1)C(=O)OCc1ccccc1 222287386 KBUJSCWFZMYQLR-LWIDKCCSSA-N 403.434 3.244 50 1 HGGF Cc1ccc(S(=O)(=O)NNC(=O)c2cccnc2Nc2ccc(Cl)cc2)cc1 28640280 RSZBXBXCFWQVTA-UHFFFAOYSA-N 416.890 3.410 50 1 HGGF Cc1c(C(=O)N/N=C/c2ccc(Br)s2)nnn1Nc1ccccc1 40880793 MFQYVKNEIOFMGE-RQZCQDPDSA-N 405.281 3.050 50 1 HGGF C[C@H]1CCCC[C@H]1[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C/COCC(=O)O 60027311 JPMWVHYATGJOOX-QJCFWPDYSA-N 400.943 3.382 50 1 HGGF Cc1nonc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587672488 GDUJPGNZYPLBQF-UOWDBTKRSA-N 419.092 3.452 50 1 HGGF CN1C(=O)C[C@H]2CN[C@](CCl)(c3ccc4c(c3)NC(=O)CS4)c3cccc1c32 963015898 AVHJBWSKOSMOHJ-LAJNKCICSA-N 413.930 3.267 50 1 HGGF C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)C(C)=CCC[C@@](C)(OO)C=CC[C@@]3(C)O[C@H]3C[C@H]12 2356599219 RCYULYLGINZBIT-UQXDBHSJSA-N 406.475 3.498 50 1 HGGF O=C1OC(=O)[C@H]2[C@@H]1N(c1ccncc1)C(c1ccco1)=C[C@H]2c1ccccc1[N+](=O)[O-] 73392513 DFISPJSMZMAQTE-BEVDRBHNSA-N 417.377 3.296 50 1 HGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CBr)(c2c(F)cccc2F)N1 962910451 XSQUKKLFHMPOTH-GUYCJALGSA-N 400.194 3.341 50 1 HGGF COc1ccc(C(=O)Nc2ccc(C(=O)NN=C3C(=O)Nc4ccccc43)cc2)cc1 1857541121 ZRHFXBCQANGXGP-UHFFFAOYSA-N 414.421 3.034 50 1 HGGF COC(=O)C=C(CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C)COC(C)=O 2356387828 JBYWUCWGYTVZKN-MHXAIHSWSA-N 406.519 3.378 50 1 HGGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1ccccc1 55802614 YPOFDKLATMUOHJ-NRFANRHFSA-N 406.511 3.059 50 1 HGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(/C=C/N1CCOCC1)CCl 587547126 ZHCAAPVAFQTEFI-BIZHUJQWSA-N 401.846 3.177 50 1 HGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(N)=O)co2)N1 587682160 BPDOWKWIEZIXKN-BCTVWOGZSA-N 401.663 3.297 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 96941725 WTVMVUJOBOGEOT-FLGRNMAGSA-N 410.539 3.104 50 1 HGGF COc1ccc(-c2ccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c(O)c2)cc1OC 587926623 KDGLGVFIIFRYAN-UHFFFAOYSA-N 404.426 3.223 50 1 HGGF COC(=O)C=C(CC[C@@H]1C(C=O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@]12C)COC(C)=O 2356387830 JBYWUCWGYTVZKN-WKHFQEMYSA-N 406.519 3.378 50 1 HGGF O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1Nc1ccc(F)cc1 28641008 WJAPLDXXUHQVQE-UHFFFAOYSA-N 420.853 3.241 50 1 HGGF O=C(N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 40408516 ZLKATRWRBDGOIQ-DOZBRYHWSA-N 416.437 3.086 50 1 HGGF CC1(C)[C@]2(Br)C=C[C@@](C)(O)[C@]13C[C@H](Br)[C@@](C)(O)C[C@@H]3O2 145320749 CJKNEXXODMOERQ-OCFHUKCCSA-N 410.146 3.118 50 1 HGGF C=C1[C@H](CC)O[C@](O)(CCC[C@]2(OC)C[C@H](C)[C@H](CC(=O)OC)OO2)[C@H]1Cl 2356433134 YEUANVVXYVFBSK-JAVISRFCSA-N 406.903 3.080 50 1 HGGF CCC(C=O)(CC)SSC(CC)(CC)[C@H]1[C@H](OC)C(=O)N1CC(=O)OC 73162432 PXRCUGGKHPNRKA-LSDHHAIUSA-N 405.582 3.083 50 1 HGGF COc1cc2c3c(c1)O[C@](CCl)(c1c[nH]c(C(=O)N4CCCC4)c1)[C@@H](C2)C3=O 587422558 QMOIJGJYHQDUHB-YCRPNKLZSA-N 400.862 3.141 50 1 HGGF COc1cc(C(=O)N/N=C2\C(=O)Nc3ccc(Cl)c(Cl)c32)cc(OC)c1OC 43013167 MFIVKUBTWPFFPX-UHFFFAOYSA-N 424.240 3.105 50 1 HGGF O=C(Cl)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)c1c(CO)oc2cc(Br)cnc12 587272753 BHDSNKKRHNKKLZ-XDPNNTCOSA-N 410.651 3.469 50 1 HGGF Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1 72173570 ZVLVEKFVMDDPHO-UHFFFAOYSA-N 400.438 3.219 50 1 HGGF Cc1occc1C(=O)NN=C[C@@H]1C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 1857612383 XVDVFYJLKFVWMV-FQEVSTJZSA-N 401.422 3.270 50 1 HGGF COC(=O)[C@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=O)[C@@]3(C)CC[C@@H]12 2356536615 ZQGPUDHBVNDQKG-HTILLRJPSA-N 404.503 3.418 50 1 HGGF COc1ccc(/C=C(\C#N)C(=O)N/N=C(\C)c2cc3cccc(OC)c3oc2=O)cc1 1772639878 PTILOKQLWSNBPP-UJENFFRMSA-N 417.421 3.258 50 1 HGGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CC(N)=O)c1C)CC2=O 587459294 HTLAKKHTXSNEEC-NRFANRHFSA-N 404.894 3.348 50 1 HGGF CC(=O)O[C@@H]1C=C(C)[C@]2(C)CC[C@H](C(=O)O)[C@@](C)(CCC(=CC=O)C(=O)O)[C@H]2C1 2356659905 XVTXYSXFTDXMFZ-XPMXXILHSA-N 406.475 3.382 50 1 HGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]([C@](C)(O)C(=O)CBr)C[C@@H]12 2356791921 JDLJKQXEXAGIDT-ZCNHVBTFSA-N 412.162 3.449 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(C#N)c(O)nc2CC[C@@H]1Br 587374855 ZUIVGPQERLJIHV-LPHOPBHVSA-N 414.259 3.120 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1ccc(S(C)(=O)=O)cc1)O2 587408074 DQNWSVARUIDHTR-IBGZPJMESA-N 402.497 3.056 50 1 HGGF CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)C(=O)O1 40747362 NUHIASRQZKQLKU-BXBHGGAKSA-N 401.426 3.088 50 1 HGGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 103207478 AKBMNFVPURWEJR-ZFWWWQNUSA-N 405.197 3.095 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(NS(C)(=O)=O)cc1)([C@@H](C)Cl)O2 587410355 RAXMWHLVRYUJDI-CWTRNNRKSA-N 408.907 3.437 50 1 HGGF C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N/C1=C\C(=O)OCc1cc(O)cc(O)c1 195170027 SYJIHQBYKGUCSC-IJVAAYCNSA-N 407.539 3.181 50 1 HGGF CCOC(=O)[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673463 MYLRAQIIOSAOFE-RTHLEPHNSA-N 409.093 3.276 50 1 HGGF CC(C)[C@@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618009029 PJYUEUXZCXWFSD-HNNXBMFYSA-N 407.646 3.327 50 1 HGGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC[C@]12CCN(c1ncnc3[nH]ccc13)C2 143668189 SVNCRVDSLAQSCK-HXUWFJFHSA-N 408.418 3.110 50 1 HGGF COc1cc2c3c(c1)O[C@@](CBr)([C@@H]1COc4ccccc4O1)[C@@H](C2)C3=O 587414837 XXJDOQBEUMOXPH-QKMWGZLOSA-N 417.255 3.416 50 1 HGGF CC(C)(N)CNC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49679224 JMIMUGHITSYEGH-UHFFFAOYSA-N 407.555 3.040 50 1 HGGF Cc1ccc2nc(Cl)c([C@H]3[C@H](Cl)C(=O)N3NC(=O)c3ccncc3)cc2c1 1772570894 OPLMNNCGWBCDTH-HOTGVXAUSA-N 401.253 3.427 50 1 HGGF COC(=O)[C@]1([C@@H](C)Br)c2cccc(F)c2CCN1[C@@H]1CCSC1 962713545 RGPUSGFNSHWOCD-QFSBIZTOSA-N 402.329 3.341 50 1 HGGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]2(C)[C@@]1(O)C(=O)CCl 299809548 FCSHDIVRCWTZOX-TWMFWCMMSA-N 410.913 3.142 50 1 HGGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1C 963015905 AXNYKCILBXQDFI-FPTDNZKUSA-N 415.921 3.344 50 1 HGGF CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337234 NRPPFVSXXLPRKI-FCXKASHQSA-N 424.428 3.161 50 1 HGGF CC(=O)NCCc1cc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)ccc1F 587381356 HXPBHJGNKNAKOK-OAQYLSRUSA-N 404.869 3.494 50 1 HGGF CCOC(=O)CN1C(=O)[C@@H](OC)[C@@H]1C(CC)(CC)SSC(C=O)(CC)CC 73162420 GUYKHEUKZKYPRT-JKSUJKDBSA-N 419.609 3.473 50 1 HGGF CC(=O)O[C@@H]1C(CO[Si](C)(C)C(C)(C)C)=C(Br)C(=O)[C@@H]2O[C@@]21C 195330369 SKMOFBACQDORIZ-IJEWVQPXSA-N 405.361 3.329 50 1 HGGF COc1ccc([C@@H]2C(C#N)=C(N)O[C@]3(OC)CCN(Cc4ccccc4)C[C@@H]23)cc1 299835623 MDBFKECHKSGYCG-WMTXJRDZSA-N 405.498 3.368 50 1 HGGF O=C(O)c1ccc(-n2cc(/C=N/NC(=O)c3cccnc3)c(-c3ccccc3)n2)cc1 1772619872 KONCMPHOJHXYNN-AFUMVMLFSA-N 411.421 3.396 50 1 HGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H]12 2356655733 KGBITPLFAPVFHQ-FUMNGEBKSA-N 418.486 3.085 50 1 HGGF Cc1cccc(C)c1NC(=O)CCC(=O)NNC(=O)c1cc(O)c2ccccc2c1 1620592 GKHKOKFWBBNAJQ-UHFFFAOYSA-N 405.454 3.342 50 1 HGGF Cc1cccc(C(=O)Nc2ccc(C(=O)NN[C@H]3C(=O)Nc4ccccc43)cc2)c1 1772644489 BMZKKFXAJCTMTM-HXUWFJFHSA-N 400.438 3.175 50 1 HGGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccccc2OC)no1)C(C)C 103219654 WDCZSPMDLDAXOP-UZYVYHOESA-N 413.474 3.453 50 1 HGGF NC1(C(=O)NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CCCC1 49757082 GYTGWKMWOSHADY-UHFFFAOYSA-N 404.551 3.391 50 1 HGGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@H]1c1cc(B(O)O)ccc1Cl 963186070 GCJOYMRUROHVRH-DHIUTWEWSA-N 402.690 3.232 50 1 HGGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl 253697265 FCSHDIVRCWTZOX-FUFXRNRPSA-N 410.913 3.142 50 1 HGGF NNC(=O)c1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1 587138683 PWXAHASBQYOFRC-UHFFFAOYSA-N 408.364 3.477 50 1 HGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=C(N)Oc1ccccc12 587746656 NJZMWEZAOMKYLZ-GIGQVBGESA-N 403.251 3.128 50 1 HGGF N#CC1=C(N2C(=O)CN(c3ccccc3)C2=O)N(c2ccccc2)C(=O)N2CCC[C@@H]12 96935379 ZVEACPULDJRPHF-IBGZPJMESA-N 413.437 3.295 50 1 HGGF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)NN)cc3[nH]1)[C@H]1CC=C[C@@H]21 587277137 PMWXCASHDPHMOJ-TYILLQQXSA-N 404.430 3.210 50 1 HGGF COc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 38159733 KXAMPBUHODBGSN-JJFYIABZSA-N 408.370 3.260 50 1 HGGF CC(C)CN(NC(=O)Cc1c(F)cccc1F)c1nc(C#N)ncc1Br 58568838 VNYANFCXOWMRJY-UHFFFAOYSA-N 424.249 3.125 50 1 HGGF C[C@H](C=C[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@H]12 2356347546 ULZUWKJCVZFDGB-QCJUNKMLSA-N 418.574 3.218 50 1 HGGF C[C@H](S[C@H](C)C(=O)N/N=C\c1ccc(F)cc1)C(=O)N/N=C\c1ccc(F)cc1 31637685 WQZBJECPVQLPCI-KPPDONNGSA-N 418.469 3.075 50 1 HGGF CC(C)(NC(=O)CCl)c1nc2c(Br)cnc(Br)c2[nH]1 587009156 XSHVHERHERPOHB-UHFFFAOYSA-N 410.497 3.073 50 1 HGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CCNC(C)=O)c(F)c1)[C@@H](C2)C3=O 587427740 UQGALGYLDGRPSY-JTSKRJEESA-N 417.864 3.395 50 1 HGGF CC(C)[C@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618009030 PJYUEUXZCXWFSD-OAHLLOKOSA-N 407.646 3.327 50 1 HGGF CCOC(=O)C[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538101 NKPOYOFBKKHROV-LPHOPBHVSA-N 421.243 3.441 50 1 HGGF O=C(O)COc1ccccc1C[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 3914907 CQHSEENDVCFMSH-HOHHPDJVSA-N 423.469 3.294 50 1 HGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=C(N)Oc1ccccc12 587746655 NJZMWEZAOMKYLZ-DGIBIBHMSA-N 403.251 3.128 50 1 HGGF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2c1 586971274 PLBDTBJWOYKIKM-AWEZNQCLSA-N 418.357 3.454 50 1 HGGF CCOC(=O)[C@]1([C@H](Cl)C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587687415 GOYMLWOVVRUOAR-YOPRPIMNSA-N 406.679 3.077 50 1 HGGF C[C@]12CCC(=NNC(N)=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NNC(N)=S)CC[C@H]12 2356762382 VRARBZPXAFLRSH-XKPOPYSVSA-N 416.595 3.163 50 1 HGGF COC(=O)[C@]1([C@@H](C)Br)c2cccc(F)c2CCN1[C@H]1CCSC1 962713535 RGPUSGFNSHWOCD-PEBVRCNWSA-N 402.329 3.341 50 1 HGGF COc1cc(OC)nc([C@H](Cl)c2ccccc2NS(=O)(=O)C(F)(F)F)n1 103181224 GMDMGDJDGQAWIS-GFCCVEGCSA-N 411.789 3.084 50 1 HGGF COc1cc(O)c2c(c1)C(=O)c1cc(CN(CCCl)CCCl)cc(O)c1C2=O 29346102 IIJCLUXJSLQGIU-UHFFFAOYSA-N 424.280 3.161 50 1 HGGF CCOC(=O)C1=C(CCl)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 79205509 UWYILHOTOJGHKJ-CVEARBPZSA-N 408.838 3.388 50 1 HGGF CCOC(=O)C1=C(CCl)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 79205505 UWYILHOTOJGHKJ-HOTGVXAUSA-N 408.838 3.388 50 1 HGGF NNC(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 587032192 RUDOTIXUESKVDG-UHFFFAOYSA-N 402.277 3.393 50 1 HGGF O=C(O)COc1ccccc1C[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 169336195 CQHSEENDVCFMSH-UDLWXZSKSA-N 423.469 3.294 50 1 HGGF CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587689418 SGEWGFAHDTVTFF-FWTOCNMZSA-N 406.679 3.077 50 1 HGGF Cc1cccc(C(=O)Nc2ccc(C(=O)NN[C@@H]3C(=O)Nc4ccccc43)cc2)c1 1772644488 BMZKKFXAJCTMTM-FQEVSTJZSA-N 400.438 3.175 50 1 HGGF O=c1nc2oc(CCCCCCCCCCl)cc2cn1[C@H]1C[C@H](O)[C@@H](CO)O1 28226591 RUIBSXPWOIGJPG-RCCFBDPRSA-N 412.914 3.142 50 1 HGGF C/C(=N\N(C)C(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)c1cccc(Br)c1 40393879 GAWDAEQJMOURHQ-SGASUCAWSA-N 414.303 3.161 50 1 HGGF CC(C)CN(NC(=O)c1cc2ccccc2[nH]1)c1nc(C#N)ncc1Br 58581647 HZQJYJHQNPSPOR-UHFFFAOYSA-N 413.279 3.399 50 1 HGGF N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc1 653884789 ZAPKUFAISOEHRG-WYMPLXKRSA-N 403.394 3.018 50 1 HGGF C#CC=CC[C@H](Br)[C@]1(O)C[C@@H]2O[C@H](CC)[C@H](Br)C[C@H]2O1 2356306642 PCYNQLXLLJWWRG-JNWWKETESA-N 408.130 3.138 50 1 HGGF O=C(NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCOCC1 49756958 SJNKHTHQXIJSDZ-UHFFFAOYSA-N 406.523 3.046 50 1 HGGF C[C@@H]1CC[C@H]2[C@@](C)(COS(=O)(=O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103190931 MYWARXURNXBVAR-DRYFRRCTSA-N 424.515 3.396 50 1 HGGF CC=CC=CC=CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C(=O)O)[C@]2(C)CCCC(C)(C)[C@H]12 2356558399 YOWISNGQSRPIPP-IQWFGDOHSA-N 402.487 3.374 50 1 HGGF CCOC(=O)[C@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537332 CUEHUJYXHORMFS-VZMUKZCBSA-N 421.243 3.439 50 1 HGGF NNC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587024912 CJPWKGCRBKSXRL-CCKFTAQKSA-N 423.542 3.303 50 1 HGGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1sc(B(O)O)cc1Br 963256762 DSFQMNMYNDDSFJ-XIKOKIGWSA-N 408.170 3.111 50 1 HGGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)C(C)C)cccc2-3)cc1 14945666 MFBZGLIBOANTMZ-UHFFFAOYSA-N 419.441 3.105 50 1 HGGF N#CC1=C(N2C(=O)CN(c3ccccc3)C2=O)N(c2ccccc2)C(=O)N2CCC[C@H]12 96935380 ZVEACPULDJRPHF-LJQANCHMSA-N 413.437 3.295 50 1 HGGF CCOC(=O)[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673462 MYLRAQIIOSAOFE-RMLUDKJBSA-N 409.093 3.276 50 1 HGGF NNC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587116418 WEAVADFPEIDZGK-UHFFFAOYSA-N 400.158 3.010 50 1 HGGF Cc1nonc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673832 QPOLOCXXEYSGMM-NXSYQRQQSA-N 419.092 3.452 50 1 HGGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1C 963015908 AXNYKCILBXQDFI-RCDICMHDSA-N 415.921 3.344 50 1 HGGF O=c1cc(CCl)oc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1O 96922716 CNZSFXIZNFEZQE-UHFFFAOYSA-N 416.827 3.421 50 1 HGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccncn1 587537419 FGKRDFGWCUOCLP-LPHOPBHVSA-N 413.227 3.434 50 1 HGGF O=C(O)Cc1ccc(C[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)cc1 26731270 VTJKWCBVZXGWSP-WSXMNFTMSA-N 407.470 3.457 50 1 HGGF C=CCN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@@]2(OC)C=C[C@@]3(C[C@@H]2N=C=S)[C@H]1C5 100687014 HOTOKEVVOSQFDG-HVSAFERVSA-N 408.523 3.024 50 1 HGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC=Cn1c2nc(CCl)cc1=O 587549359 ZOAYDBPQNDJSKY-PGRDOPGGSA-N 422.824 3.419 50 1 HGGF O=C(O)COc1cccc(C[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 1492708 JFLGDEPZDPAZLY-BCUPCRFMSA-N 423.469 3.294 50 1 HGGF CCCN1N=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](Cl)C1=O 587704614 JZBLZJFMAJNWQW-FVLGBLRTSA-N 402.695 3.163 50 1 HGGF COC(=O)[C@@H](NC(=O)OCc1ccccc1)c1cccc(NC(=O)CCCl)c1 1857769299 QIBPWAWBJSUPSO-SFHVURJKSA-N 404.850 3.395 50 1 HGGF O=C1c2cc3c(cc2[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1C(=O)N2CCCCl)OCO3 27191982 KOLCHVKMORPDSP-QZTJIDSGSA-N 414.801 3.429 50 1 HGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N2CCOCC2)(CCl)N1 587685785 BAPJCIAVISJXAS-BMCIAHDBSA-N 403.723 3.402 50 1 HGGF COC(=O)C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1 73159676 CQJCYXYDSUGERD-DKGMDFAASA-N 414.259 3.172 50 1 HGGF CC(C)(C)OC(=O)N[C@H](CCCCCB(O)O)C(=O)Nc1nc2ccccc2s1 195147909 XWMNPKKMRJLGII-CQSZACIVSA-N 421.328 3.161 50 1 HGGF CN1C(=O)C[C@H]2CN[C@@](CCl)(c3ccc4c(c3)NC(=O)CS4)c3cccc1c32 963015899 AVHJBWSKOSMOHJ-QKVFXAPYSA-N 413.930 3.267 50 1 HGGF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(C(=O)NN)cc4[nH]3)ccc12 586918534 NVKVOKKVYCDRDH-UHFFFAOYSA-N 406.442 3.194 50 1 HGGF Cc1oc(C(N)=O)cc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541561 CHBJQWXPXVYENE-LAUBAEHRSA-N 413.813 3.488 50 1 HGGF COC(=O)[C@]1([C@H](C)Br)c2cccc(F)c2CCN1[C@@H]1CCSC1 962713530 RGPUSGFNSHWOCD-JKDFXYPNSA-N 402.329 3.341 50 1 HGGF C[C@H]1OO[C@@H](COC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)[C@@H]2O[C@H]12 44069804 FMSPEMZCJBAPCE-BHBOYYQOSA-N 401.297 3.140 50 1 HGGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1ccccc1 55802612 YPOFDKLATMUOHJ-OAQYLSRUSA-N 406.511 3.059 50 1 HGGF CC(C)N1N=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](Cl)C1=O 587707418 VORVZGJPDGDZTF-BIZFCNDTSA-N 402.695 3.162 50 1 HGGF COc1ccc(Cl)cc1C#Cc1cc(Br)cc(C)c1OCC(=O)NN 587901074 YOMVRESODMYWGZ-UHFFFAOYSA-N 423.694 3.188 50 1 HGGF O=C(N/N=C\Nc1ccc(C(F)(F)F)cc1)[C@H]1Cc2c([nH]c3ccccc23)CN1 103177995 RCOKBHSJEHAHNM-QGZVFWFLSA-N 401.392 3.373 50 1 HGGF O=C(O)COc1cccc(C[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 26726961 JFLGDEPZDPAZLY-OAQNSSLKSA-N 423.469 3.294 50 1 HGGF CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(OCC(F)(F)F)s1)C(C)C 103207699 NHTZANKHLPBICG-YPKPFQOOSA-N 421.441 3.187 50 1 HGGF COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)CBr)ccc1O)[C@@H](C2)C3=O 587415203 QLPCPIUTZWHZNJ-DJJJIMSYSA-N 403.228 3.467 50 1 HGGF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@H](Cl)C(C)(C)O3)CC[C@@](C)(NC=O)[C@H]2CC[C@]1(C)O 2356866126 VMGMIKLPOIXKLA-UAJZKUBTSA-N 415.018 3.221 50 1 HGGF O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(I)cc1 28873343 YZAGKFABHGFOKO-VGOFMYFVSA-N 401.185 3.025 50 1 HGGF O=C(NN=C1CCCC1)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1 1857634691 DDZHFWNQZUAYSR-UHFFFAOYSA-N 411.483 3.164 50 1 HGGF CC(=O)O[C@H]1C(CO[Si](C)(C)C(C)(C)C)=C(Br)C(=O)[C@@H]2O[C@@]12C 195442497 SKMOFBACQDORIZ-DZKIICNBSA-N 405.361 3.329 50 1 HGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=C(N)Oc1ccccc12 587747434 QGHVMTSJQKDARM-OVWNDWIMSA-N 403.251 3.128 50 1 HGGF N#Cc1ccc(COc2cccc(/C=N/NC(=O)c3cc(O)c(O)c(O)c3)c2)cc1 653865297 ARNRCTPHJGGFIM-WYMPLXKRSA-N 403.394 3.018 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)C[C@H]1Br)O2 587372372 KTKNHQOOTGTPFA-RDTXWAMCSA-N 411.296 3.295 50 1 HGGF Cc1ncccc1[C@]1(CBr)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963222433 GMKQTQKELRHEIZ-ICSRJNTNSA-N 412.287 3.176 50 1 HGGF CCOC(=O)CN1C(=O)[C@H](OC)[C@@H]1C(CC)(CC)SSC(C=O)(CC)CC 73162426 GUYKHEUKZKYPRT-HZPDHXFCSA-N 419.609 3.473 50 1 HGGF COc1cc2c(cc1OC)[C@](CBr)(c1cn(C)nc1C)N(C)[C@@H](C)C2 962561778 FCRFKKRGYJQUDW-HXPMCKFVSA-N 408.340 3.261 50 1 HGGF CN(CCCl)[C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 169359675 MSUIGQZUZUIMHT-VIEIAIOFSA-N 402.966 3.381 50 1 HGGF COC(=O)[C@]1([C@H](C)Br)c2cccc(F)c2CCN1[C@H]1CCSC1 962713541 RGPUSGFNSHWOCD-PRXAMGSTSA-N 402.329 3.341 50 1 HGGF O=C(N/N=C1\C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21)c1ccccc1O 35242036 WAPCZKVDZFVLKA-LKZQPVPRSA-N 406.394 3.167 50 1 HGGF O=C(N/N=C/c1ccc(Br)cc1)c1ccc(CN2CCC[C@H](O)C2)cc1 1857744476 LZZDEKJKKBPVCN-OZNZCJATSA-N 416.319 3.170 50 1 HGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc3c(cc2[nH]1)OCCO3 587009393 CTSRSBMEOPTIJC-KRWDZBQOSA-N 410.861 3.454 50 1 HGGF NNC(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587091788 OOGYMLCBDXKXTC-UHFFFAOYSA-N 419.285 3.188 50 1 HGGF O=C(N/N=C\c1ccc(O)c(O)c1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 64251780 HNKPAALWOLOTIT-MJXDFBPQSA-N 401.422 3.019 50 1 HGGF O=C(O)COc1ccccc1C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 100652183 CQHSEENDVCFMSH-DKQKEWDHSA-N 423.469 3.294 50 1 HGGF O=C1OC(=O)[C@@H]2[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])C=C(c1ccco1)N2c1ccncc1 195511025 DFISPJSMZMAQTE-XPGWFJOJSA-N 417.377 3.296 50 1 HGGF CC(C)(C)[Si](C)(C)OCCC[C@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963216374 BYAGPPYRROEWMO-ULQDDVLXSA-N 418.614 3.011 50 1 HGGF NNC(=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586986399 XDALJTIGZHHAIK-QGZVFWFLSA-N 414.307 3.114 50 1 HGGF C/C(=N\NC(=O)c1sc(N)c(C#N)c1N)c1cc2c(ccc3ccccc32)oc1=O 103291499 XUSWDMDBNLAMPC-KIBLKLHPSA-N 417.450 3.198 50 1 HGGF COc1ccc(Cl)cc1C#Cc1c(C)nn(Cc2cccc(C(=O)NN)c2)c1C 587902518 GTIQYJRQXXTEJR-UHFFFAOYSA-N 408.889 3.214 50 1 HGGF C[C@H]1OO[C@@H](COC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)[C@H]2O[C@H]21 101422708 FMSPEMZCJBAPCE-SAFRDLNSSA-N 401.297 3.140 50 1 HGGF CCO/C(O)=C1\C(C[S@](=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccn1 40685263 WZRYNQXSXVHJKP-YUDDIWMESA-N 408.483 3.426 50 1 HGGF CN(C)CCSSCCN(C)C(=O)COc1ccc(Br)cc1 618009501 DWBUQXLQFVSQFX-UHFFFAOYSA-N 407.399 3.229 50 1 HGGF O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCBr)c1ccccn21 473113368 GJESPWGHVGLIBA-UHFFFAOYSA-N 413.227 3.052 50 1 HGGF C=CCN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@@]2(OC)C=C[C@@]3(C[C@@H]2N=C=S)[C@@H]1C5 26271113 HOTOKEVVOSQFDG-RRJVNCKPSA-N 408.523 3.024 50 1 HGGF C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)/C(C)=C/CC[C@](C)(OO)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 238746465 RCYULYLGINZBIT-YWAGRQFYSA-N 406.475 3.498 50 1 HGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587009660 OUSPVRRQCAFNIJ-KRWDZBQOSA-N 408.849 3.265 50 1 HGGF COC(=O)C=Cc1ccc(OC(=O)C[C@H](C)OC(C)=O)c(C=CC(C)(C)OO)c1 2356686794 SSDKOFIZUJKNAI-AWEZNQCLSA-N 406.431 3.401 50 1 HGGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=NNC(N)=O)CC[C@@]43C)[C@H]1CCC2=NNC(N)=S 2356762381 VRARBZPXAFLRSH-OBRACTJBSA-N 416.595 3.163 50 1 HGGF COC(C)(C)[C@@H](Br)c1nc2cc(I)cnc2[nH]1 586970765 GFETURHYWLYQDC-QMMMGPOBSA-N 410.053 3.424 50 1 HGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N2CCOCC2)(CCl)N1 587686336 CRDRQNHUGSGKFC-HZARRAJXSA-N 403.723 3.402 50 1 HGGF O=C(O)Cc1cccc(C[C@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)[C@H]3CC[C@H]2O3)c1 195224384 AGZOJGNFCHGAFI-CIQGODMRSA-N 407.470 3.457 50 1 HGGF CC1(C)[C@@]2(Br)C=C[C@@](C)(O)[C@@]13C[C@H](Br)[C@@](C)(O)C[C@H]3O2 238779857 CJKNEXXODMOERQ-VMFVLUETSA-N 410.146 3.118 50 1 HGGF COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1Br)[C@@H](C2)C3=O 587417517 NNNHWMWGJVTQJD-PJFSTRORSA-N 424.291 3.196 50 1 HGGF CCCCCCc1[nH]nc2c1[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857648323 HVFLPPJKEKZOJO-INIZCTEOSA-N 413.434 3.373 50 1 HGGF CC[C@H](C)[C@@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618009258 UQGVILJXBVVGMU-GJZGRUSLSA-N 407.646 3.327 50 1 HGGF COc1nc(C(Br)Br)c([N+](=O)[O-])c(N2CCCCC2)n1 27860477 SGSCSJGYKPHDDX-UHFFFAOYSA-N 410.066 3.172 50 1 HGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(N)=O)n(C)c2)N1 587683999 IVFGWEROHNBFPJ-XYZCENFISA-N 414.706 3.042 50 1 HGGF COc1cc2cc(C(=O)NC3=C(CCCl)CCC(N)=C3)[nH]c2c(OC)c1OC 28520413 PVYDLBTVYPNQAO-UHFFFAOYSA-N 405.882 3.443 50 1 HGGF COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@@]42C=C[C@@]1(OC)[C@H]([C@H](C)N=C=S)C2 100660533 XVYDBKXHAQVZDF-VQCKQEAPSA-N 424.566 3.407 50 1 HGGF NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2ncsc2c1 28355026 NRIPTQZFVGVSMI-UHFFFAOYSA-N 402.284 3.308 50 1 HGGF CCCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 299837490 ORAZDBVVVDBNCT-YQVWRLOYSA-N 406.324 3.331 50 1 HGGF CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2coc3ccccc23)cc1 1857754432 IEAHLVDRJBUYLR-UHFFFAOYSA-N 411.483 3.271 50 1 HGGF C#CC=CC[C@H](Br)[C@]1(O)C[C@@H]2O[C@H](CC)[C@H](Br)C[C@@H]2O1 2356306645 PCYNQLXLLJWWRG-UMBPPFEGSA-N 408.130 3.138 50 1 HGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N2CCOCC2)(CCl)N1 587685789 BAPJCIAVISJXAS-BWDYTYLZSA-N 403.723 3.402 50 1 HGGF C=C1CCC=C(C)[C@H](OC(C)=O)[C@@H]2OC(=O)C(=C)[C@@H]2C[C@@H]2O[C@@]2(C)CC[C@@H]1OO 2356462096 GFWUCUVAEYBQOX-CMAYMZJCSA-N 406.475 3.498 50 1 HGGF COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587686593 DAYWMNYQKUJMCC-WILFGZOFSA-N 418.690 3.077 50 1 HGGF O=C(N/N=C/N1C=Cc2oncc2C1)c1cnc2c(C(F)(F)F)cccc2c1O 95557736 CCHKOBJMGFUAQY-NUGSKGIGSA-N 403.320 3.107 50 1 HGGF CC(C)(CN)CNC(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621477575 OHLPUEYUGSTUGA-ORHPWPPPSA-N 408.539 3.467 50 1 HGGF C[C@@H]1CCCC[C@@H]1[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](Cl)[C@@H]1C/C=C/COCC(=O)O 14952576 JPMWVHYATGJOOX-WGEWDFOHSA-N 400.943 3.382 50 1 HGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]12 2356655736 KGBITPLFAPVFHQ-ZRNYENFQSA-N 418.486 3.085 50 1 HGGF NNC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 45337858 HLVWMICFJCIQSJ-UHFFFAOYSA-N 420.269 3.443 50 1 HGGF COC(=O)/C=C/c1ccc(OC(=O)C[C@H](C)OC(C)=O)c(/C=C/C(C)(C)OO)c1 238784457 SSDKOFIZUJKNAI-NXFAGNFXSA-N 406.431 3.401 50 1 HGGF COC(=O)CC[C@@]1(CCl)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963193357 ZVVZFYIIHQGXJA-WFASDCNBSA-N 414.207 3.345 50 1 HGGF COc1ccc(C)cc1-n1nnnc1SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 101666164 LZFQTBHVBSVCPL-LGMDPLHJSA-N 419.470 3.441 50 1 HGGF COc1ccc(/C=N/NC(=O)c2cc(Br)c(Br)[nH]2)cc1 169702856 WLEIWTIUJZTGCT-FRKPEAEDSA-N 401.058 3.312 50 1 HGGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)c2c(c1)OCO2 13586114 PLPUVLHIWUNQPF-QGZVFWFLSA-N 414.259 3.462 50 1 HGGF O=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)no1 40876172 ZEORDEVQFQYFPN-UHFFFAOYSA-N 407.377 3.387 50 1 HGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(N)=O)n(C)c2)N1 587681787 ARINMJRHDWTEBD-XYZCENFISA-N 414.706 3.042 50 1 HGGF O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C/C=C/c1ccc(Br)cc1 36046955 XQAWEFHZLKKXEC-XGGSGYJXSA-N 412.287 3.094 50 1 HGGF COC(=O)C=C(CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O 2356387831 JBYWUCWGYTVZKN-XZYOPWHXSA-N 406.519 3.378 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@H]1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 96941724 WTVMVUJOBOGEOT-HFXRLNDPSA-N 410.539 3.104 50 1 HGGF Cc1cccc(/C=N/NC(=O)CSc2nnnn2-c2cccc3ccccc23)c1 103276486 VBHOBSZQRBZXDS-LPYMAVHISA-N 402.483 3.366 50 1 HGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCN3CCCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 71416598 AQZYFQJZCAVQTH-ZBFLUBEFSA-N 409.523 3.224 50 1 HGGF CCO[C@@H]1[C@@H](Br)Cn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@H]1C 1631674 DQAFLNVGFSWHQX-GOPGUHFVSA-N 403.276 3.060 50 1 HGGF CN(C)c1ccc([C@H]2[C@@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 103206156 LJRABRXGTKKZDK-WBVHZDCISA-N 403.269 3.253 50 1 HGGF CC(C)N1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Cl)C1=O 587326433 BUEYUJPDXOOQKU-YFVAEKQCSA-N 416.836 3.473 50 1 HGGF COC1=C/C(=C/NNC(=O)CSc2cc(C)c(Br)cc2C)C=CC1=O 13123193 MHHBRJKPZULOKC-UKTHLTGXSA-N 423.332 3.332 50 3 HGGF COC(=O)CCCCCCC(=O)N/N=C/c1cc(OC)c(O)cc1Br 95809418 AGVXLNROBTURGS-YBFXNURJSA-N 415.284 3.127 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@H]1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 36311335 WTVMVUJOBOGEOT-RTHSAQQTSA-N 410.539 3.104 50 1 HGGF NNC(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586986396 XDALJTIGZHHAIK-KRWDZBQOSA-N 414.307 3.114 50 1 HGGF COc1cc2c3c(c1)O[C@](c1ccc(NS(C)(=O)=O)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587451753 ZQDOYXSZCDVZKM-MGZSFGTLSA-N 421.902 3.337 50 1 HGGF CCOC(=O)[C@]1([C@H](Cl)C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587690116 ZGZUAMWASUGMIW-VXSYNFHWSA-N 406.679 3.077 50 1 HGGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCl)c1ccc(NS(C)(=O)=O)cc1 963637631 SYRBIACTMXWRFD-XCLFUZPHSA-N 424.950 3.092 50 1 HGGF CCn1cc(C(=O)N/N=C/c2cccc(Br)c2)c(=O)c2ccc(C)nc21 103222709 MSVZUZFBDJZBDG-UFFVCSGVSA-N 413.275 3.251 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]1C(C=O)=C[C@]1(O)CC(C)(C)C[C@@H]12 238764256 CYANGADGENNSLV-BEMVSCACSA-N 400.471 3.264 50 1 HGGF CO[P@@](=O)(c1cc(C)cc(OCC#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 653723501 BCWHKLAPFZIVFH-NDEPHWFRSA-N 417.789 3.006 50 1 HGGF O=C(O)COc1cccc(C[C@@H]2[C@@H]3CC[C@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 169371180 JFLGDEPZDPAZLY-VIDRYGANSA-N 423.469 3.294 50 1 HGGF Cc1nonc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537425 FHRBPTYPZMWDTN-RDTXWAMCSA-N 417.215 3.336 50 1 HGGF CCOC(=O)C1=C(CCl)N=C(C)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 79205513 UWYILHOTOJGHKJ-JKSUJKDBSA-N 408.838 3.388 50 1 HGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(N)=O)co2)N1 587682161 BPDOWKWIEZIXKN-PWJLMRLQSA-N 401.663 3.297 50 1 HGGF CCCC[C@@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618009347 VXYBGUJPQRDZIQ-HNNXBMFYSA-N 407.646 3.471 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 36311343 WTVMVUJOBOGEOT-YPFSSHFCSA-N 410.539 3.104 50 1 HGGF CCO/C(O)=C1\C(C[S@@](=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccn1 40685254 WZRYNQXSXVHJKP-GAMPXSECSA-N 408.483 3.426 50 1 HGGF O=C(O)Cc1ccc(C[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)cc1 169336527 VTJKWCBVZXGWSP-CVMCYLOFSA-N 407.470 3.457 50 1 HGGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1cccc([N+](=O)[O-])c1 1772648354 LCJFRZTXQVWWAC-GOSISDBHSA-N 410.393 3.492 50 1 HGGF CN(CCCl)[C@@H]1CC[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 25993177 MSUIGQZUZUIMHT-REDMDHKUSA-N 402.966 3.381 50 1 HGGF COC(=O)[C@@]12C=C(OC(C)=O)[C@]3(OO1)[C@@]1(C)CCCC(C)(C)[C@@H]1CC[C@@]3(C)C2=O 59126993 SGCNCTATEUFDTH-SDTQGNRXSA-N 406.475 3.261 50 1 HGGF CN1CCc2cn(C)nc2[C@@]1(CBr)c1ccccc1OCC(F)(F)F 963955656 QZVRWRMKSMQNPR-MRXNPFEDSA-N 418.257 3.488 50 1 HGGF CN[C@H]1CC[C@@H](Br)C[C@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O 100496093 SHHPSHHSRUDILS-DVTQJAKQSA-N 410.308 3.007 50 1 HGGF O=C1OC(=O)c2cc(NS(=O)(=O)c3cccc4cccnc34)cc3cccc1c23 95584411 IQRBPMNHXLWOFJ-UHFFFAOYSA-N 404.403 3.499 50 1 HGGF Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 587747744 RPYIAIZUNSVIEN-GIPWTMENSA-N 417.278 3.436 50 1 HGGF O=C(O)COc1cccc(C[C@H]2[C@@H]3CC[C@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 100652152 JFLGDEPZDPAZLY-LKEHCPFKSA-N 423.469 3.294 50 1 HGGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587689442 SLLPOIIBAJOIEE-ASOWGIATSA-N 418.690 3.077 50 1 HGGF COc1ccc2c(c1O)-c1cccc3c1[C@H](C2)N(CCOC(=O)NCCCl)CC3 25969611 SZYDNEDTLQXYDM-KRWDZBQOSA-N 416.905 3.488 50 1 HGGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cncnc1 587537950 MAWDENNDXHXSSV-APWZRJJASA-N 413.227 3.434 50 1 HGGF N#C/C(=C(\O)Cn1nc(C(=O)O)c2ccccc2c1=O)c1nc2ccccc2s1 618014382 XSVHJKRQXASQQL-FYWRMAATSA-N 404.407 3.197 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)C1=C(C=O)[C@@H](O)[C@@H]1CC(C)(C)C[C@@H]12 71318606 ZXLVDZRNPKMJND-NJORCMFTSA-N 400.471 3.264 50 1 HGGF O=C(O)Cc1ccc(C[C@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)[C@H]3CC[C@H]2O3)cc1 195220260 VTJKWCBVZXGWSP-CIQGODMRSA-N 407.470 3.457 50 1 HGGF N#Cc1ccc(COc2ccc(/C=N/NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1 653887527 NIMUINQYYPRZIE-WYMPLXKRSA-N 403.394 3.018 50 1 HGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(N)=O)co2)N1 587684506 KPWDUOBFOIUMTR-PWJLMRLQSA-N 401.663 3.297 50 1 HGGF O=C(O)COc1ccccc1C[C@H]1[C@@H](/C=N/NC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 195218347 CQHSEENDVCFMSH-FSLLARCFSA-N 423.469 3.294 50 1 HGGF COC(=O)c1cc(Br)c2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc2c1 586906696 GJCRROJCBLFYGN-UHFFFAOYSA-N 401.172 3.090 50 1 HGGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)N[C@H](C(=O)O)Cc2cccc(F)c21 962904958 WFDQXHYRVSMSCC-UVFQYZLESA-N 414.905 3.408 50 1 HGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587009477 HIHNSNOJQCECIO-LBPRGKRZSA-N 422.798 3.443 50 1 HGGF CCOP(=O)(OCC)[C@@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1F 103215397 BMVLKNNDVPWDGE-XYGUXCPDSA-N 401.400 3.263 50 1 HGGF N#Cc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1C#N 587009668 OWUHKRSGDOGBPV-IBGZPJMESA-N 402.845 3.426 50 1 HGGF CN(C)CCSSCCCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 618008838 LLLASUZATMECEJ-UHFFFAOYSA-N 424.419 3.173 50 1 HGGF CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Cl)C1=O 587328663 JVIVHZCQMQZZNT-ILZDJORESA-N 402.809 3.084 50 1 HGGF CC(C)CN(NC(=O)c1onc2ccccc12)c1nc(C#N)ncc1Br 58581902 VZIXWFKNRFFMNN-UHFFFAOYSA-N 415.251 3.059 50 1 HGGF CCOC(=O)/C(=C(/C)N)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687009 FBHNVFGKCYKRMR-LQAHPAEPSA-N 419.722 3.352 50 1 HGGF COc1ccc2oc(=O)cc([C@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c2c1 1857745116 XRKCRRDQDSHMID-IBGZPJMESA-N 414.373 3.126 50 1 HGGF C[C@@H]1CCCC[C@@H]1[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C/COCC(=O)O 100309336 JPMWVHYATGJOOX-RSVRKTHRSA-N 400.943 3.382 50 1 HGGF in-vitro O=C(O)COc1cccc(C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)[C@H]3CC[C@H]2O3)c1 195290173 JFLGDEPZDPAZLY-PXQWSSMZSA-N 423.469 3.294 50 1 HGGF CCCCOc1ccc(C(=O)NN/C=C2\C=NN=C2c2ccc(OC)c(OC)c2)cc1 15973670 MEQNJQFIIATLES-OBGWFSINSA-N 422.485 3.490 50 3 HGGF CC(C)(C)[Si](C)(C)OCCC[C@@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963216371 BYAGPPYRROEWMO-IKGGRYGDSA-N 418.614 3.011 50 1 HGGF CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O 587328669 JVIVHZCQMQZZNT-XKGZKEIXSA-N 402.809 3.084 50 1 HGGF O=C(CCCNC(=O)OCc1ccccc1)O[C@@H](Br)CBr 169336851 KAMAQVPHKJVWFR-GFCCVEGCSA-N 423.101 3.352 50 1 HGGF CCOC(=O)[C@]1([C@@H](Cl)C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587690114 ZGZUAMWASUGMIW-KRMBAHDKSA-N 406.679 3.077 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@@]12O 15115440 SJZRUQOYQZRISL-OSYBGZHQSA-N 400.471 3.264 50 1 HGGF endogenous,in-man O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1ccc(Br)cc1 103232061 ZQZRTJIHERHBIG-DJKKODMXSA-N 418.276 3.137 50 1 HGGF COc1cc2c3c(c1)O[C@@](c1ccc(NS(C)(=O)=O)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587451757 ZQDOYXSZCDVZKM-XITNVPRNSA-N 421.902 3.337 50 1 HGGF CC(=O)NCCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587382870 VDXMMBMDHSVCPU-NRFANRHFSA-N 404.869 3.494 50 1 HGGF CCOC(=O)/C(=C(/C)N)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689938 XVMMRKWOEQTTTQ-NYHGKYOVSA-N 419.722 3.352 50 1 HGGF CCC[C@@H](C[C@H](CCl)OC(C)=O)OC(=O)C(Br)Br 2356790963 GFYKJFVSIXNFHG-DTWKUNHWSA-N 408.514 3.375 50 1 HGGF Cc1nonc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587672487 GDUJPGNZYPLBQF-NXSYQRQQSA-N 419.092 3.452 50 1 HGGF CN[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@@H](Cl)C(C)(C)O3)CC[C@@](C)(NC=O)[C@H]2CC[C@]1(C)O 2356866124 VMGMIKLPOIXKLA-PSDTUPOISA-N 415.018 3.221 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(N(C)S(C)(=O)=O)cc1)O2 587409960 OTGBLTMSCQCFLX-IBGZPJMESA-N 408.907 3.073 50 1 HGGF Cc1nc(-c2ccccc2[N+](=O)[O-])ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 653905741 JYWRGSPABGGUKP-GFMRDNFCSA-N 415.409 3.076 50 1 HGGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(N1)c1ccccc1C[C@H]2Br 963224305 BRIQLFMKUGIJLB-ZVDOUQERSA-N 409.283 3.397 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@H]3C=C(C=O)[C@]12O 256600559 SJZRUQOYQZRISL-JNXLBDECSA-N 400.471 3.264 50 1 HGGF endogenous,in-man O=C(CBr)NCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586971687 WPJVDYZZUMNTJW-UHFFFAOYSA-N 400.582 3.169 50 1 HGGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)c2c(c1)OCO2 13586116 PLPUVLHIWUNQPF-KRWDZBQOSA-N 414.259 3.462 50 1 HGGF C=C1[C@H](Cl)[C@@](O)(CCC[C@]2(OC)C[C@H](C)[C@H](CC(=O)OC)OO2)O[C@@H]1CC 203525734 YEUANVVXYVFBSK-DRHYGZJTSA-N 406.903 3.080 50 1 HGGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1sc(=O)n(CCCl)c1Cl 963609241 NEMWNNSZRRWSRB-OTYXRUKQSA-N 403.331 3.443 50 1 HGGF C=C1C[C@H]2O[C@H]3[C@H]4[C@H](CC[C@@](C)(OC(C)=O)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO 169292973 FRLNJCYJMRBLCV-ZMJSRCGFSA-N 408.491 3.268 50 1 HGGF CCOC(=O)/C(=C(/C)N)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687023 FBHNVFGKCYKRMR-YXCDFHHWSA-N 419.722 3.352 50 1 HGGF CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1-c1ccccc1)B(O)O 1857553420 VNEXTJNXTBBNAH-YADHBBJMSA-N 424.350 3.041 50 1 HGGF Cn1nc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccc1=O 195301352 QPWWXMMNAPPJHA-UHFFFAOYSA-N 406.602 3.290 50 1 HGGF N#Cc1cccc(COc2ccc(/C=N/NC(=O)c3cc(O)c(O)c(O)c3)cc2)c1 653884773 SSOVWUZJZQVWDV-WYMPLXKRSA-N 403.394 3.018 50 1 HGGF COc1cc2c(cc1OC)[C@](CBr)(c1cn(C)nc1C)N(C)[C@H](C)C2 962561775 FCRFKKRGYJQUDW-CWTRNNRKSA-N 408.340 3.261 50 1 HGGF CCOC(=O)[C@@H](Cl)[C@@]1(C(=O)OCC)c2ccsc2CCN1Cc1cccnc1 962993420 INMIFHDJKKZRMN-YLJYHZDGSA-N 422.934 3.130 50 1 HGGF O=C(O)Cc1cccc(C[C@H]2[C@@H]3CC[C@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 100652161 AGZOJGNFCHGAFI-XEFHJSOSSA-N 407.470 3.457 50 1 HGGF COCCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(NC(=O)CCl)cc2)n1 653863993 YSPCBXZWFMKRFE-UHFFFAOYSA-N 416.865 3.145 50 1 HGGF CCOc1cc(C)c(F)c(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1 1857577906 ZHPGBCFNKHBCKG-UHFFFAOYSA-N 402.447 3.309 50 1 HGGF COC(=O)[C@]1([C@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538269 OMLWUGBYKGSVTN-MWJQBAMBSA-N 407.216 3.049 50 1 HGGF Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N/N=C\c3ccccc3)s2)cc1 33333842 DKQYXBKSHXQCGT-NDENLUEZSA-N 414.512 3.325 50 1 HGGF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 587147715 YMQLMZZERVXXEL-UHFFFAOYSA-N 420.400 3.346 50 1 HGGF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)NN)cc3[nH]1)[C@@H]1CC=C[C@H]21 587277134 PMWXCASHDPHMOJ-KSMMKXTCSA-N 404.430 3.210 50 1 HGGF O=CC1=C(SCCC(=O)O)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 45318188 KOHMJZQRKKIGGY-UHFFFAOYSA-N 404.513 3.249 50 1 HGGF COc1cc2c(cc1OC)[C@@](CBr)(c1cn(C)nc1C)N(C)[C@H](C)C2 962561762 FCRFKKRGYJQUDW-BLVKFPJESA-N 408.340 3.261 50 1 HGGF CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)c2ccsc2CCN1Cc1cccnc1 962993416 INMIFHDJKKZRMN-PXNSSMCTSA-N 422.934 3.130 50 1 HGGF COC(=O)[C@]1([C@H](C)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 587671559 TYSYEEZOONIARF-RDOZXCAGSA-N 409.093 3.274 50 1 HGGF CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689969 YDQIKGMSIAAAMO-OCDRQSPJSA-N 406.679 3.077 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(cc1NC(=O)CCl)OCO3)O2 587370726 BJRXFLLTZNQRMQ-FQEVSTJZSA-N 402.834 3.364 50 1 HGGF C=C1[C@H](CC)O[C@](O)(CCC[C@]2(OC)C[C@H](C)[C@H](CC(=O)OC)OO2)[C@@H]1Cl 2356433136 YEUANVVXYVFBSK-UXRQFECGSA-N 406.903 3.080 50 1 HGGF CCOc1ccc2nc(NC(=O)[C@H](Cc3ccco3)NC(=O)CCl)sc2c1 35932885 VRHADSMVIGOMEM-AWEZNQCLSA-N 407.879 3.193 50 1 HGGF COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N/S(=O)(=O)c3ccccc3)N1CC2 100427374 JQENRLABAMLBTE-FLFQWRMESA-N 423.494 3.378 50 1 HGGF O=C(O)CCCNC(=O)N/N=C(\c1ccccc1)c1ccc(Br)cc1 28643331 AMCBKALBVGXHTP-HEHNFIMWSA-N 404.264 3.366 50 1 HGGF COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1OC 143662535 GMDKZHJZAGRRGP-GOSISDBHSA-N 406.417 3.462 50 1 HGGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccc3cccnc3n2)ccc1C(=O)O 219895437 LDSJPQGLIQDNFL-DHRITJCHSA-N 413.437 3.499 50 1 HGGF COc1cc(C(=O)N/N=C/c2cc(-c3cccc(C(=O)O)c3)co2)cc(OC)c1OC 473133067 WLJBKPJKDQJKRM-FOKLQQMPSA-N 424.409 3.435 50 1 HGGF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c(C2CC2)n1 587229562 IBRXWDAKXPNKEC-UHFFFAOYSA-N 422.489 3.131 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1Br)O2 587372369 KTKNHQOOTGTPFA-KBXCAEBGSA-N 411.296 3.295 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(CS(=O)(=O)c1ccccc1)O2 587408317 LUODVWNXGVPYLE-SFHVURJKSA-N 424.316 3.150 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@]3(O)C=C(C=O)[C@H]12 100782787 CYANGADGENNSLV-CUSRLENDSA-N 400.471 3.264 50 1 HGGF endogenous,in-man O=C(O)Cc1ccc(C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)cc1 299805113 VTJKWCBVZXGWSP-ZYWPZRKOSA-N 407.470 3.457 50 1 HGGF Cc1ccc2nc(Cl)c([C@@H]3[C@@H](Cl)C(=O)N3NC(=O)c3ccncc3)cc2c1 1772570895 OPLMNNCGWBCDTH-HZPDHXFCSA-N 401.253 3.427 50 1 HGGF COC(=O)[C@]1([C@H](Cl)C(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587689875 XNHZLVMZCDMPCV-CPQOQLRJSA-N 418.690 3.077 50 1 HGGF CN1CCc2cn(C)nc2[C@]1(CBr)c1ccccc1OCC(F)(F)F 963955654 QZVRWRMKSMQNPR-INIZCTEOSA-N 418.257 3.488 50 1 HGGF NC(=O)[C@@H](Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884967 SNTMQGRNSRRIBK-SFHVURJKSA-N 409.700 3.469 50 1 HGGF CN(C)C(=O)c1ccc2c(c1)[C@@](CBr)(c1ccc(F)cc1F)NCC2 962928122 GYHOGGFFVYQXJE-LJQANCHMSA-N 409.274 3.451 50 1 HGGF CN(C)CCSSCCCNC(=O)C(C)(C)NC(=O)OCc1ccccc1 618009214 SXXNKUUSZIGSMD-UHFFFAOYSA-N 413.609 3.141 50 1 HGGF O=C(O)COc1ccccc1C[C@@H]1[C@@H]2CC[C@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 169336198 CQHSEENDVCFMSH-DRQMCJFHSA-N 423.469 3.294 50 1 HGGF COc1cc([C@H]2[C@@H]3CN(C)CCC3=C(C#N)C(=N)C2(C#N)C#N)ccc1OC(C)C 169688750 YZYIVIQVDFIHJC-NQIIRXRSSA-N 403.486 3.405 50 1 HGGF NC(=O)NNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772588454 SYZHTZDRLKGOEK-PKNBQFBNSA-N 413.441 3.185 50 1 HGGF COC1=CC(=CNNC(=O)c2cc(-c3ccco3)nc3ccccc23)C=C(OC)C1=O 13120525 BMFGTQGCMBDKSK-UHFFFAOYSA-N 417.421 3.256 50 3 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@]3(O)C=C(C=O)[C@H]12 100782786 CYANGADGENNSLV-XQXALNAESA-N 400.471 3.264 50 1 HGGF endogenous,in-man CCOC(=O)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539923 YRHAGFBKISTERQ-KBXCAEBGSA-N 407.216 3.051 50 1 HGGF CCCCc1cn(CCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1 169346143 RICXJYGZAJNMER-LFVJCYFKSA-N 406.490 3.249 50 1 HGGF CC(C)c1ccc(-n2c(O)c(/C=N/NC(=O)c3ccccc3O)c(=O)[nH]c2=S)cc1 169693165 MYCHXWHLRNVKIZ-SSDVNMTOSA-N 424.482 3.194 50 1 HGGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)Nc2ccnn2C(N)=C1C#N 82053102 QKXPOUVRXWYWOS-LLVKDONJSA-N 415.259 3.119 50 1 HGGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H]1O[C@]1(C)C[C@H](OO)C=C(C)CCC=C(C)[C@H]2OC(C)=O 2356613465 MPQMGJDSJYROKQ-WWFOSYLESA-N 406.475 3.498 50 1 HGGF O=C(O)COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC2CC(C3)N4)cc1 1857609623 XXQYZXSGNLCZGS-UHFFFAOYSA-N 415.486 3.339 50 1 HGGF CCO[C@@H](CO)[C@H](Oc1ccc(C=CC=O)cc1OC)c1ccc(O)c(OC)c1 2356517235 BSICIQGJYAQPRY-FCHUYYIVSA-N 402.443 3.139 50 1 HGGF Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cccc(Br)n1 1772605944 BIYFMXSNOUEPRE-HNNXBMFYSA-N 408.259 3.463 50 1 HGGF NNC(=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1 587138981 YPBXUGCHYBUFLA-UHFFFAOYSA-N 408.364 3.477 50 1 HGGF Cc1oc(C(N)=O)cc1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541565 CHBJQWXPXVYENE-UWJYYQICSA-N 413.813 3.488 50 1 HGGF CCCc1c(O)ccc2c1O[C@](CBr)(C(=O)CBr)CC2=O 587457393 YBOXRLMBRODJOT-OAHLLOKOSA-N 420.097 3.408 50 1 HGGF CC=CC=CC=CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C(=O)O)[C@@]2(C)CCCC(C)(C)[C@H]12 2356558397 YOWISNGQSRPIPP-FUAMJQMHSA-N 402.487 3.374 50 1 HGGF Cc1ncc([N+](=O)[O-])n1CCN(CCBr)Cc1ccc(F)cc1F 96926851 YTPNHBFCIIBAMV-UHFFFAOYSA-N 403.227 3.275 50 1 HGGF COC(=O)C(C)(C)c1ccc(-c2nc3nc(O)nc(O)c3cc2CCCl)cc1 587368813 PHKXQUBTEPTNKG-UHFFFAOYSA-N 401.850 3.335 50 1 HGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 587737078 YBUNNSSYTWJRHB-UGZDLDLSSA-N 421.241 3.267 50 1 HGGF COCCOc1nc(-c2cccc(OC)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 653863929 ABEMQIHQKAFZRK-UHFFFAOYSA-N 416.865 3.145 50 1 HGGF CC(=O)O[C@@H]1C=C(C)[C@]2(C)CC[C@H](C(=O)O)[C@@](C)(CCC(=CC=O)C(=O)O)[C@@H]2C1 2356659903 XVTXYSXFTDXMFZ-SCFBQEJPSA-N 406.475 3.382 50 1 HGGF Cc1cc([C@@]2(CBr)NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1O 963034189 QSSFPFDVSXJSNI-ZUOKHONESA-N 401.304 3.392 50 1 HGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]([C@](C)(O)[C@H](O)CBr)C[C@@H]12 2356790737 FXOORJBJRXCTSV-LMONPCFVSA-N 414.178 3.241 50 1 HGGF O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 473172394 WJZIBTLHYPCRFA-FSJBWODESA-N 416.393 3.284 50 1 HGGF CCCn1cnc2cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cc(Br)c21 587003919 OAGSHUVBEIHKJP-UHFFFAOYSA-N 413.279 3.356 50 1 HGGF CCOC(=O)[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673461 MYLRAQIIOSAOFE-CLAHSXSESA-N 409.093 3.276 50 1 HGGF CN(CCCl)P(=O)(OCC1=CC(=O)c2ccccc2C1=O)N(C)CCCl 26850976 WKVLYMQIKMPLKY-UHFFFAOYSA-N 419.245 3.458 50 1 HGGF CCOC(=O)C1=C(C)NC(/C=C/C#N)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 49783981 XJRORDHAVMQOCP-RUJXFNLJSA-N 411.414 3.016 50 1 HGGF CCCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](c3cccc(OC)c3OC)[C@@H]2C1 169686884 OZGPBCXJVHGNIW-QUCCMNQESA-N 403.486 3.406 50 1 HGGF COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)[C@H]1c1cccc(OC)c1OC 95601601 QYRWRBPUEJWMBA-LJQANCHMSA-N 409.417 3.197 50 3 HGGF COc1cc(Br)c(/C=N/NC(=O)CCCCCCC(=O)O)cc1OC 95808427 RRQYEBABJQLPIR-YBFXNURJSA-N 415.284 3.342 50 1 HGGF CCCN1N=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Cl)C1=O 587704613 JZBLZJFMAJNWQW-AUYAEMIRSA-N 402.695 3.163 50 1 HGGF COc1ccc(CNC(=O)Nc2nc3ccc(C(=O)CBr)cc3[nH]2)cc1 1857595258 XVSXAXQJUZYECS-UHFFFAOYSA-N 417.263 3.471 50 1 HGGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2cc(C(=O)O)ccc2F)ccc1C(=O)O 219895005 JFRPIQARMXZGHH-BHGWPJFGSA-N 423.400 3.394 50 1 HGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cncnc1 587537953 MAWDENNDXHXSSV-LPHOPBHVSA-N 413.227 3.434 50 1 HGGF Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 587747055 OWMNUWAMFMORHQ-YBTHPKLGSA-N 417.278 3.436 50 1 HGGF COc1ccc2c(c1OC)[C@]1(C(C=O)=C(N)Oc3ccc(Cl)cc31)N(C)[C@@H](C)C2 962617275 CAWPHSGOSIEULC-YTEVENLXSA-N 414.889 3.239 50 1 HGGF COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H]2O[C@H](O)[C@H](C)[C@@]24C=C[C@]3(C)OO4)cc1 64447147 VDDPMSOUNOTNPH-RPHDOLJNSA-N 402.487 3.235 50 1 HGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(N)=O)co2)N1 587682163 BPDOWKWIEZIXKN-ZKANADHPSA-N 401.663 3.297 50 1 HGGF COc1ccc2c(c1OC)[C@]1(C(C=O)=C(N)Oc3ccc(Cl)cc31)N(C)[C@H](C)C2 962617267 CAWPHSGOSIEULC-IPQOISQHSA-N 414.889 3.239 50 1 HGGF C/C(=N/NC(=O)c1cc2ccc(O)cc2oc1=N)c1nc(-c2ccccc2)[nH]c1C 71331635 RXCIANIJYDGIHX-JTAXVKMNSA-N 401.426 3.470 50 1 HGGF CC(C#N)=C1CCN(c2ccc(N3C[C@H](Cn4cc(F)nn4)OC3=O)cc2F)CC1 95585393 AEMGUUCTPHPTFS-INIZCTEOSA-N 414.416 3.022 50 1 HGGF O=C(N/N=C/c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1)c1ccncc1 169346157 VEMFRJJOAUANFL-AFUMVMLFSA-N 412.453 3.064 50 1 HGGF O=C(CCCNC(=O)OCc1ccccc1)O[C@H](Br)CBr 169336852 KAMAQVPHKJVWFR-LBPRGKRZSA-N 423.101 3.352 50 1 HGGF CCOC(=O)[C@]1([C@@H](Cl)C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587687409 GOYMLWOVVRUOAR-KRMBAHDKSA-N 406.679 3.077 50 1 HGGF CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)c3nc4ccccc4n3C)cc2)C(=O)O1 40527598 WLYRXPFJXBJZKB-OXRZLYTFSA-N 415.453 3.099 50 1 HGGF COc1ccc(COc2ccc(/C=N/NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1 653865323 CMKXJBPNEMQQOP-FSJBWODESA-N 408.410 3.155 50 1 HGGF COC(=O)c1cc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)ccc1O 587374779 QGULJXADHDRMJV-LJQANCHMSA-N 420.259 3.325 50 1 HGGF CCCN1N=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](Cl)C1=O 587704615 JZBLZJFMAJNWQW-OYBNVQJLSA-N 402.695 3.163 50 1 HGGF COCCOc1nc(-c2ccc(F)c(F)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 653880644 ALZJINGULZQDKO-UHFFFAOYSA-N 422.819 3.415 50 1 HGGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587686571 DAYWMNYQKUJMCC-ASOWGIATSA-N 418.690 3.077 50 1 HGGF Cc1occc1C(=O)NN=C[C@H]1C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 1857612384 XVDVFYJLKFVWMV-HXUWFJFHSA-N 401.422 3.270 50 1 HGGF C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@@H](Cl)C(=O)N2[C@H]1C(=O)O 26172956 HPMKIEMRXVQVAA-JOXOIDLHSA-N 400.934 3.123 50 1 HGGF CC1(C)[C@@H](Cl)[C@H](Cl)C[C@@]2(C)[C@H]1C(=O)C[C@]1(C)O[C@H]([C@H]3CC(=O)NC3=O)C[C@@H]12 139893125 UYNSKTVHKLBLLY-JFPJHDDYSA-N 416.345 3.053 50 1 HGGF COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc(OC)c1O 95808712 NTOTVWWQTBSGPT-YBFXNURJSA-N 415.284 3.127 50 1 HGGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(I)cc1 95809410 WRBSMEUMZMRFER-LDADJPATSA-N 416.259 3.255 50 1 HGGF CN1CCN(C(=O)O[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 621477363 IVTLLIINRVYQCO-GDTNWSJKSA-N 406.523 3.140 50 1 HGGF NC(=O)N/N=C(/CCCCCC/C(=N/NC(N)=O)c1ccccc1)c1ccccc1 13142769 MTTFIFPOMXQPCT-DQIQZUARSA-N 408.506 3.472 50 1 HGGF CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)c2ccsc2CCN1Cc1cccnc1 962993415 INMIFHDJKKZRMN-FXAWDEMLSA-N 422.934 3.130 50 1 HGGF C[C@]1(C#CCCCCc2ccccc2)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O 29230607 AAJCKZUDOKBYKB-LKUPVBHCSA-N 403.862 3.063 50 1 HGGF CC(=N\NC(=O)c1oc2ccccc2c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)NO 49774882 TVHQITCIBJQFBX-UDWIEESQSA-N 410.390 3.160 50 1 HGGF COC(=O)c1cccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009473 HFTZRCORFZSBGA-KRWDZBQOSA-N 410.861 3.470 50 1 HGGF CCOC(=O)[C@]1([C@@H](Cl)C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587690115 ZGZUAMWASUGMIW-QZOJXLDYSA-N 406.679 3.077 50 1 HGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(N)=O)co2)N1 587684504 KPWDUOBFOIUMTR-BCTVWOGZSA-N 401.663 3.297 50 1 HGGF COC(=O)[C@]1([C@H](Cl)C(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689351 RXYDSJBMRHWRSE-IQSNUIKMSA-N 418.690 3.077 50 1 HGGF COc1ccc(S(=O)(=O)NNC(=O)c2cc(F)cc(-c3ccccc3)c2)c(F)c1 1857545773 VECMJTLGSLRNGS-UHFFFAOYSA-N 418.421 3.264 50 1 HGGF COC(C)(C)[C@H](Br)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586971165 NISFPCDDMQXLQB-GFCCVEGCSA-N 406.284 3.483 50 1 HGGF COc1ccc(C2=CS/C(=C(C#N)/C=C3/C=CC(=O)C([N+](=O)[O-])=C3)N2)cc1OC 15952520 HZMFBXZGQQXQOK-KKMKSFFLSA-N 409.423 3.300 50 3 HGGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cnccn1 587537765 KALXESPZDXTGMU-VQIMIIECSA-N 413.227 3.434 50 1 HGGF COC(=O)C=C(CC[C@@H]1C(C=O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@@]12C)COC(C)=O 2356387829 JBYWUCWGYTVZKN-SQVLJLFZSA-N 406.519 3.378 50 1 HGGF C=C(C(=O)OC)[C@@H]1C[C@]2(OO)C(=C)[C@H](OC(=O)C(C)C)CC[C@]2(C)C[C@@H]1OC(C)=O 2356572311 XCXSKXOQGGFKAL-UNTMZNOTSA-N 424.490 3.210 50 1 HGGF COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H]2O[C@H](O)[C@H](C)[C@@]24CC[C@]3(C)OO4)cc1 64453580 WBNLLPDZRSVUHK-RPHDOLJNSA-N 404.503 3.459 50 1 HGGF COc1cc2c3c(c1)O[C@@]1([C@@H](Br)[C@H]4CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O 587418996 VSZFLHOIDPOPJA-PONJSXBFSA-N 421.287 3.466 50 1 HGGF CC(C)[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)N[C@H](C(=O)O)Cc2cccc(F)c21 962904905 WFDQXHYRVSMSCC-DKICVRJWSA-N 414.905 3.408 50 1 HGGF O=C1CSC(=NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3F)n2)N1 1772621189 WROJXJLNASPNJB-UHFFFAOYSA-N 419.441 3.386 50 1 HGGF CCO[C@H](CO)[C@@H](Oc1ccc(C=CC=O)cc1OC)c1ccc(O)c(OC)c1 2356517238 BSICIQGJYAQPRY-YADHBBJMSA-N 402.443 3.139 50 1 HGGF COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1OC 143662353 GMDKZHJZAGRRGP-SFHVURJKSA-N 406.417 3.462 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](Br)S(C)(=O)=O)O2 587408328 LVCMQBAHZZJNBZ-ZWKOTPCHSA-N 424.316 3.204 50 1 HGGF CCOc1ccc(/C=N/NC(=O)[C@H](OC)c2ccc3c(c2)OCCO3)cc1OCC 84690162 HUYWXOJOSJHKPM-KURUZVKSSA-N 414.458 3.093 50 1 HGGF N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 2500565 CXHJIHOQRZATCF-NRFANRHFSA-N 410.433 3.480 50 1 HGGF Cn1c([N+](=O)[O-])cnc1OC(=O)Nc1ccc(N(CCCl)CCCl)cc1 27628318 QXCGKLXRAKCAGJ-UHFFFAOYSA-N 402.238 3.223 50 1 HGGF CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)/C(O)=C(\C#N)c1ccncc1 100013783 RCONQDLVHHNCCF-XWGZKPFFSA-N 420.513 3.153 50 1 HGGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(OC)cc2)no1)C(C)C 103219651 KJUKYHCZLLOWSQ-VZCXRCSSSA-N 413.474 3.453 50 1 HGGF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c1 586971276 PLBDTBJWOYKIKM-CQSZACIVSA-N 418.357 3.454 50 1 HGGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587686591 DAYWMNYQKUJMCC-UQNYDYMRSA-N 418.690 3.077 50 1 HGGF CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCCCSSCCN(C)C 618008443 GEFDYPNMZRLOAT-SFHVURJKSA-N 411.637 3.280 50 1 HGGF COc1ccc(-c2ccc(C(=O)N/N=C3\C(=O)N(C)c4ccccc43)c(C)n2)cc1 653871782 WVFSMYFEGGQSTH-DAFNUICNSA-N 400.438 3.176 50 1 HGGF C[C@H]1CCCC[C@@H]1[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](Cl)[C@@H]1C/C=C/COCC(=O)O 169692587 JPMWVHYATGJOOX-PMYNLWGGSA-N 400.943 3.382 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](Br)S(C)(=O)=O)O2 587408324 LVCMQBAHZZJNBZ-QZTJIDSGSA-N 424.316 3.204 50 1 HGGF COc1cc(-c2n[nH]c3ccc(/C=C(\C#N)n4cncn4)cc23)cc(OC)c1OC 263620673 KVQZHZNPPJMLLH-GIDUJCDVSA-N 402.414 3.369 50 1 HGGF in-vitro CN(C)CCSSCCCNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 618012265 AAUASJFRYSLPSO-HNNXBMFYSA-N 405.630 3.225 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]1C(C=O)=C[C@@]1(O)CC(C)(C)C[C@H]21 85635132 CYANGADGENNSLV-IEYZSLPESA-N 400.471 3.264 50 1 HGGF in-man N[C@H](N=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009356 BIRLGLWLFGHFFF-PKOBYXMFSA-N 410.865 3.407 50 1 HGGF CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321207 CJXVBASXJCUHJQ-PBEJRMEISA-N 420.820 3.389 50 1 HGGF COC(=O)c1cc2c(cc1OCc1ccccc1)N(S(C)(=O)=O)C[C@@H]2CCl 27412158 PUWITKHWGDTDBI-AWEZNQCLSA-N 409.891 3.154 50 1 HGGF CCOC(=O)c1c(C)[nH]c(C(=O)OCC(O)=C(C#N)c2nc3ccccc3[nH]2)c1C 1857622255 XDDCWRDHDZXOCH-UHFFFAOYSA-N 408.414 3.334 50 1 HGGF Cc1cnc(Cl)c(Cn2cc(/C=N/NC(=O)c3ccc(C(F)(F)F)cc3)nn2)c1 299866293 VQNYDMBXDPLNGV-KTZMUZOWSA-N 422.798 3.466 50 1 HGGF CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689420 SGEWGFAHDTVTFF-OCDRQSPJSA-N 406.679 3.077 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C1=C(C=O)[C@H](O)[C@@H]1CC(C)(C)C[C@@H]12 2356387589 ZXLVDZRNPKMJND-COBDKXOCSA-N 400.471 3.264 50 1 HGGF C=CCN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@]2(OC)C=C[C@@]3(C[C@@H]2N=C=S)[C@H]1C5 100687011 HOTOKEVVOSQFDG-WGONTRSLSA-N 408.523 3.024 50 1 HGGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2cccc(C(=O)O)c2)ccc1C(=O)O 145274241 ZPHAURPRJQDKOS-FSJBWODESA-N 405.410 3.254 50 1 HGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(N)=O)n(C)c2)N1 587681786 ARINMJRHDWTEBD-XLFHBGCDSA-N 414.706 3.042 50 1 HGGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CNC(=O)CBr 13603132 VAUDLNNWQPHUCE-FJWRRNOESA-N 422.363 3.491 50 1 HGGF O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1cc2cc(Cl)ccc2[nH]1 36184821 FMEATHLTTIYICN-UHFFFAOYSA-N 417.796 3.463 50 1 HGGF O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccc(CN2CCC[C@H](O)C2)cc1 1857744777 YFNXMXTXMLFSAL-MSIOFZDNSA-N 420.557 3.398 50 1 HGGF O=[N+]([O-])c1ccc([C@@H]2C[C@@H](OO)N[P@](=O)(N(CCCl)CCCl)O2)cc1 14263401 BGGYWYCBMPZTJJ-SMLFXBKZSA-N 414.182 3.349 50 1 HGGF COc1cccc(OC)c1/C=N/NC(=O)c1oc2nc(C(F)(F)F)ccc2c1N 653715989 HKEVGAUHVMVOSS-LIMNOBDPSA-N 408.336 3.210 50 1 HGGF CC1(C)CN[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)c2cc3c(cc21)OCO3 963392431 ZXAZDIPBOTVGCV-QFIPXVFZSA-N 415.921 3.343 50 1 HGGF C=C[C@]1(C)[C@H](Cl)C[C@H]2C(=O)[C@@]1(N=C=S)C1=CC=C[C@@H]3NC(=O)[C@H]([C@@H]13)C2(C)C 2356809039 ANAIJPORCUZMPW-CFQKIZLISA-N 402.947 3.484 50 1 HGGF CC(=O)N1CCc2ccc(-n3cc(CNC(=O)Nc4cccc(CCl)c4)nn3)cc21 96908812 DIQNQEFIAXVCSG-UHFFFAOYSA-N 424.892 3.237 50 1 HGGF CCOC(=O)C[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538100 NKPOYOFBKKHROV-APWZRJJASA-N 421.243 3.441 50 1 HGGF COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H]2OC(=O)[C@H](C)[C@@]24C=C[C@]3(C)OO4)cc1 64454364 NODRVSYGMRVKQK-FYQPDDGJSA-N 400.471 3.443 50 1 HGGF CCCCCCCC(=O)O[C@@H]1C2=C(C=O)[C@]34C[C@@]3(CC2=CC1(C)C)C(=O)O[C@H]4O 2356720880 MIYIESSPGYJWFP-SQMBMXPBSA-N 402.487 3.376 50 1 HGGF CCN(CC)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 71341579 KJVJDHLOTQPDOH-ZBFLUBEFSA-N 411.539 3.470 50 1 HGGF COc1cc2c(cc1OC)[C@@](CBr)(c1cn(C)nc1C)N(C)[C@@H](C)C2 962561773 FCRFKKRGYJQUDW-BUXKBTBVSA-N 408.340 3.261 50 1 HGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc([N+](=O)[O-])s1 95808355 ZUOUJSJCYNAXPN-XDHOZWIPSA-N 404.448 3.401 50 1 HGGF O=C(O)Cc1ccc(C[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)cc1 100854033 VTJKWCBVZXGWSP-FYZFUAQQSA-N 407.470 3.457 50 1 HGGF COc1cc(/C=N/NC(=O)CN(C)c2cc(C)nc3ccccc23)cc(OC)c1OC 72109398 WDUGFVQKHGDXMZ-ZMOGYAJESA-N 422.485 3.156 50 1 HGGF CC(=O)NCCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587382872 VDXMMBMDHSVCPU-OAQYLSRUSA-N 404.869 3.494 50 1 HGGF COC(=O)[C@]1([C@@H](Cl)C(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689352 RXYDSJBMRHWRSE-UQNYDYMRSA-N 418.690 3.077 50 1 HGGF Cc1ccc(NC(=O)CNC2=C(C#N)[C@H]3CCCN3C(=O)N2c2ccccc2)cc1 96935420 ATKQCXZHWMGPMQ-HXUWFJFHSA-N 401.470 3.363 50 1 HGGF COC(=O)[C@H](Cl)[C@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587714622 AIQJHKMKAYVFRO-AVNHGCJLSA-N 400.622 3.363 50 1 HGGF CCO[C@H]1[C@@H](Br)Cn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@@H]1C 5836247 DQAFLNVGFSWHQX-ZTFRIQLXSA-N 403.276 3.060 50 1 HGGF O=C(N/N=C/c1cc(O)ccc1O)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 473171818 VZDCOBRFHSGPIX-FSJBWODESA-N 416.393 3.284 50 1 HGGF NNC(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081548 QCYZUFZGGOMYIM-UHFFFAOYSA-N 403.833 3.197 50 1 HGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]([C@@](C)(O)[C@H](O)CBr)C[C@@H]12 2356790739 FXOORJBJRXCTSV-QUTRTJBFSA-N 414.178 3.241 50 1 HGGF COC(=O)c1cccc2nc3c(NC(=O)CCCCl)c([N+](=O)[O-])ccc3nc12 103221460 FRFDZUFOPSJOLR-UHFFFAOYSA-N 402.794 3.435 50 1 HGGF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(Br)CC3)c(F)c21 66259504 WHDQXUQCKNTJJP-UHFFFAOYSA-N 415.234 3.362 50 1 HGGF O=C(/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 73407719 MAXMLWFOSLPBHM-BMRADRMJSA-N 420.254 3.140 50 1 HGGF CCOC(=O)[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587674631 YHUWPVZDSQBVEE-RTHLEPHNSA-N 409.093 3.276 50 1 HGGF CC(C)=CCc1[nH]c2cc(N=C=S)ccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O 29061932 ZSTLTDSSPJRWNE-PMACEKPBSA-N 408.527 3.443 50 1 HGGF COCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCOC 6482998 VTHMIJUJHXDYHA-UHFFFAOYSA-N 420.556 3.238 50 1 HGGF O=C(O)CC[C@H](NC(=O)Sc1ccc(N(CCCl)CCCl)cc1)C(=O)O 43648976 WYVPKSCQRLUPCT-ZDUSSCGKSA-N 423.318 3.090 50 1 HGGF COc1ccc(COc2cccc(/C=N/NC(=O)c3cc(O)c(O)c(O)c3)c2)cc1 653899201 DPQLSXSNCPBHPF-FSJBWODESA-N 408.410 3.155 50 1 HGGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccn1 40447653 UZXPDXUYCGIHSQ-GEXZYOHASA-N 424.482 3.092 50 1 HGGF CC(C)[C@H](NC(=O)CCl)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541452 BFMCCLTZMCHKKI-JRGCBEDISA-N 403.862 3.492 50 1 HGGF CC(=O)O[C@@H]1C=C(C)[C@]2(C)CC[C@H](C(=O)O)[C@](C)(CCC(=CC=O)C(=O)O)[C@@H]2C1 2356659902 XVTXYSXFTDXMFZ-KYRJBTROSA-N 406.475 3.382 50 1 HGGF CO[P@](=O)(c1cc(C)cc(OCC#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 653723500 BCWHKLAPFZIVFH-MUUNZHRXSA-N 417.789 3.006 50 1 HGGF CCCCCCc1cc2cc(/C(N)=N/NC(=O)c3ccncc3)c(=O)oc2cc1O 5951309 RGDLPAJZMFWUKN-UHFFFAOYSA-N 408.458 3.067 50 1 HGGF N#C/C(=C1\SC(=O)CN1c1ccccc1)c1nnc(NC(=O)c2ccccc2)o1 73219422 VCEWGWBFJGOTOU-XDJHFCHBSA-N 403.423 3.294 50 1 HGGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2cc(F)c(F)c(F)c2)cc1 473169173 MGNWILPLRGBARA-UHFFFAOYSA-N 408.785 3.232 50 1 HGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(N)=O)n(C)c2)N1 587681784 ARINMJRHDWTEBD-HUTHGQBESA-N 414.706 3.042 50 1 HGGF C/C(NNC(=O)c1cc(Br)ccc1O)=C(/N=O)C(=O)Nc1ccccc1 15885113 BKGCRLUFMKWNBX-GDNBJRDFSA-N 419.235 3.026 50 3 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]1C(C=O)=C[C@]1(O)CC(C)(C)C[C@@H]12 257401490 CYANGADGENNSLV-DKDCZHCESA-N 400.471 3.264 50 1 HGGF endogenous,in-man Cc1c(O)ccc2c1[C@@](CCl)(c1ccc(C(F)(F)F)cn1)N[C@H](C(=O)O)C2 963494259 ZHPSMYQPJIXGQN-YVEFUNNKSA-N 400.784 3.196 50 1 HGGF Cc1c(O)ccc2c1[C@](CBr)([C@H](C#N)c1ccccc1)N[C@H](C(=O)O)C2 963509371 MMNMTMKMLOGJGX-GUXCAODWSA-N 415.287 3.197 50 1 HGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 587737074 YBUNNSSYTWJRHB-AYLIAGHASA-N 421.241 3.267 50 1 HGGF CC(=O)OC[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1 73162329 QKHKQHPLMAIRAV-OBHPCNEJSA-N 414.259 3.172 50 1 HGGF O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccc(O)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 84671651 IPPHUFJPDBYWNA-IAGOWNOFSA-N 417.252 3.271 50 1 HGGF CCOC(=O)/C(=C(/C)N)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689937 XVMMRKWOEQTTTQ-ISJBQANJSA-N 419.722 3.352 50 1 HGGF C=C1C(=O)O[C@@H]2[C@H]1C[C@@H]1O[C@]1(C)CC[C@@H](OO)C(=C)CCC=C(C)[C@@H]2OC(C)=O 2356462099 GFWUCUVAEYBQOX-SQNFNTIFSA-N 406.475 3.498 50 1 HGGF O=C(O[C@H]1CS[S@](=O)C1)c1cc(Br)ccc1Br 96283331 FNDJTUACUTXRST-BWKAKNAASA-N 400.113 3.148 50 1 HGGF O=C(O)COc1ccccc1C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 299804983 CQHSEENDVCFMSH-BYMKSIDOSA-N 423.469 3.294 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@@H]1N=C=S)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5 100687135 QJFJMHSCCYMYKH-YIFQJNAVSA-N 422.550 3.248 50 1 HGGF COC(=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009512 JBACIOKZIFSJFT-SFHVURJKSA-N 410.861 3.470 50 1 HGGF O=C(NNC(=O)c1csc(-c2cccc(Br)c2)n1)c1ccccn1 1857647749 UHZQKOGQZFRFFE-UHFFFAOYSA-N 403.261 3.042 50 1 HGGF O=C(N/N=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccccn1 95808627 MYXUJTYQSHKKJE-OEAKJJBVSA-N 404.451 3.037 50 1 HGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(N)=O)n(C)c2)N1 587683998 IVFGWEROHNBFPJ-XLFHBGCDSA-N 414.706 3.042 50 1 HGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N2CCOCC2)(CCl)N1 587686337 CRDRQNHUGSGKFC-KSUSPKLCSA-N 403.723 3.402 50 1 HGGF CC(C)[C@@H](Br)C(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587367366 WQJCPHOIHMEYTR-CQSZACIVSA-N 417.263 3.461 50 1 HGGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1C 963015907 AXNYKCILBXQDFI-PEBXRYMYSA-N 415.921 3.344 50 1 HGGF O=C(CBr)Nc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 169352848 BSTQAPDJDOVXKT-UHFFFAOYSA-N 415.243 3.081 50 1 HGGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(OCC(N)=O)cc1)CC2=O 587458974 GGBRUEMXOWKMEY-OAQYLSRUSA-N 403.862 3.308 50 1 HGGF CCOC(=O)[C@]1([C@H](Cl)C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587690117 ZGZUAMWASUGMIW-YOPRPIMNSA-N 406.679 3.077 50 1 HGGF C=C(C(=O)OC)[C@@H]1C[C@]2(OO)C(=C)[C@H](OC(=O)C(C)C)CC[C@]2(C)C[C@H]1OC(C)=O 2356572310 XCXSKXOQGGFKAL-TVUCWEBRSA-N 424.490 3.210 50 1 HGGF O=C(O[C@@H]1CS[S@@](=O)C1)c1cc(Br)ccc1Br 96283328 FNDJTUACUTXRST-GJEGPGMTSA-N 400.113 3.148 50 1 HGGF N#Cc1cccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCl)c1 1772640785 ZHVZFYNSXYNJEG-NBYUQASBSA-N 407.967 3.051 50 1 HGGF CCOC(=O)C1=C(C)NC(CCl)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 33882614 BQZUKPLXYKHMHX-MRXNPFEDSA-N 408.838 3.175 50 1 HGGF CCOC(=O)/C(=C(\C)N)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687018 FBHNVFGKCYKRMR-OVWFVALMSA-N 419.722 3.352 50 1 HGGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1Cc2ccccc2C1 618016956 CVHXMOCYHFDSGG-APWZRJJASA-N 421.632 3.099 50 1 HGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)c3ccccc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308359 NRPYGKSGGCUWSF-CMWFBBTJSA-N 400.475 3.025 50 1 HGGF O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1cccc(C(F)(F)F)c1 103232024 VPHKDKSXLYBXRN-LSFURLLWSA-N 407.377 3.393 50 1 HGGF O=C(N/N=C/c1ccc(O)c(O)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 1857578199 OYZYOJAOHHCZRT-ZVBGSRNCSA-N 407.407 3.092 50 1 HGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N2CCOCC2)(CCl)N1 587686339 CRDRQNHUGSGKFC-OMVAHEFMSA-N 403.723 3.402 50 1 HGGF C[C@@H]1O[C@@]2([C@@H](CO)OCOCc3ccccc3)CO[C@H]1[C@@H]2O[Si](C)(C)C(C)(C)C 2356705584 VKNZRUAREFLWJE-APMKSIRGSA-N 424.610 3.485 50 1 HGGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 103207486 AKBMNFVPURWEJR-HIFRSBDPSA-N 405.197 3.095 50 1 HGGF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c(F)c2)c1 587147758 ZJOWDENNQMZLFJ-UHFFFAOYSA-N 420.400 3.346 50 1 HGGF CC(=O)N1CCC(=NNC(=O)CSc2cc(C)c(Br)cc2C)CC1 4863617 STZRPADXAMDNDC-UHFFFAOYSA-N 412.353 3.273 50 3 HGGF NNC(=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 587017066 HSOJFUIAPOLOJU-UHFFFAOYSA-N 401.455 3.582 50 1 HGGF CCO[C@H](CO)[C@H](Oc1ccc(C=CC=O)cc1OC)c1ccc(O)c(OC)c1 2356517236 BSICIQGJYAQPRY-FGZHOGPDSA-N 402.443 3.139 50 1 HGGF CC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)n(C)n1 1862730 CWQIJVNYJRUBQW-HSBSLETESA-N 423.904 3.496 50 1 HGGF COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H]2O[C@@H](O)[C@H](C)[C@@]24C=C[C@]3(C)OO4)cc1 64447145 VDDPMSOUNOTNPH-HRARYXMLSA-N 402.487 3.235 50 1 HGGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCl)c1ccc(NS(C)(=O)=O)cc1 963637622 SYRBIACTMXWRFD-RBZFPXEDSA-N 424.950 3.092 50 1 HGGF C[C@H]1OO[C@@H](COC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)[C@H]2O[C@H]21 44069660 FMSPEMZCJBAPCE-VMRHIXFTSA-N 401.297 3.140 50 1 HGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CCNC(C)=O)s1)[C@@H](C2)C3=O 587448758 BZABCXCTAWATAI-YWZLYKJASA-N 405.903 3.317 50 1 HGGF Cc1c(O)ccc2c1[C@](CBr)([C@@H](C#N)c1ccccc1)N[C@H](C(=O)O)C2 963509367 MMNMTMKMLOGJGX-FTRWYGJKSA-N 415.287 3.197 50 1 HGGF O=C(NNCCO)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772635454 VBZKNOATDNAKIT-PKNBQFBNSA-N 414.469 3.099 50 1 HGGF Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NNCCC#N)cc1 1857573443 KAWKVVMHUVFHMT-VAWYXSNFSA-N 401.514 3.356 50 1 HGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 587737076 YBUNNSSYTWJRHB-HOGDKLEQSA-N 421.241 3.267 50 1 HGGF O=C(O)COc1ccccc1C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 1492709 CQHSEENDVCFMSH-FBFMGMFWSA-N 423.469 3.294 50 1 HGGF Cc1nc(-c2ccc([N+](=O)[O-])cc2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 653905738 ITHHNQWJBSPHGF-GFMRDNFCSA-N 415.409 3.076 50 1 HGGF Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(Br)n1 1772605945 BIYFMXSNOUEPRE-OAHLLOKOSA-N 408.259 3.463 50 1 HGGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(Br)c(Br)[nH]1 169702850 IKJOCWHQWLROPR-GIDUJCDVSA-N 416.029 3.212 50 1 HGGF NC(=O)[C@H](Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884966 SNTMQGRNSRRIBK-GOSISDBHSA-N 409.700 3.469 50 1 HGGF CCOC(=O)[C@H](F)Oc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1C 1857542364 QKDJIJQJKUDLKI-XLHYMUBZSA-N 422.840 3.415 50 1 HGGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 103207474 AKBMNFVPURWEJR-DZGCQCFKSA-N 405.197 3.095 50 1 HGGF Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 587747746 RPYIAIZUNSVIEN-YBTHPKLGSA-N 417.278 3.436 50 1 HGGF CC(C)[C@H](C(=O)NCCCSSCCN(C)C)N1Cc2ccccc2C1=O 618012732 YWZFIPWECCNKRF-GOSISDBHSA-N 409.621 3.116 50 1 HGGF C=C[C@]1(C)[C@H](Cl)C[C@H]2C(=O)[C@@]1(N=C=S)C1=CC=C[C@@H]3NC(=O)[C@@H]([C@H]13)C2(C)C 2356809040 ANAIJPORCUZMPW-MNSKEPDRSA-N 402.947 3.484 50 1 HGGF N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 2500563 CXHJIHOQRZATCF-OAQYLSRUSA-N 410.433 3.480 50 1 HGGF Cc1nonc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673834 QPOLOCXXEYSGMM-WJWGPLDTSA-N 419.092 3.452 50 1 HGGF CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCSSCCN(C)C 618008716 JTRUQBYGKGONTA-OAHLLOKOSA-N 407.646 3.375 50 1 HGGF COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H]([C@H](C)N=C=S)C2 36311357 XVYDBKXHAQVZDF-SKXPEVRUSA-N 424.566 3.407 50 1 HGGF Cc1nn(CCCl)c(C)c1[C@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975816 YSXLRAWLHNESLP-MLGOLLRUSA-N 404.244 3.359 50 1 HGGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CBr)c1ccc(Cl)nn1 963608398 KZHCLRYFJZTMMN-QGHHPUGFSA-N 412.715 3.320 50 1 HGGF NNC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1 28350689 ZHJDEXIJZXWDSM-UHFFFAOYSA-N 408.508 3.196 50 1 HGGF O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C/C=C/c1ccc(Br)cc1 36046958 XQAWEFHZLKKXEC-ZFFMFHMTSA-N 412.287 3.094 50 1 HGGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CC(N)=O)c1C)CC2=O 587459307 HTLAKKHTXSNEEC-OAQYLSRUSA-N 404.894 3.348 50 1 HGGF CC(C)[C@]1(c2ccc(B(O)O)cc2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963197950 UMZFJBPDRBIHKJ-FTJBHMTQSA-N 410.326 3.389 50 1 HGGF COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C\c2ccccn2)cc1OC 15979115 QFGCKIFQWCXHIM-OYKKKHCWSA-N 404.426 3.115 50 1 HGGF CO[C@@]12C=C[C@@]3(C[C@@H]1N=C=S)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5 100687129 QJFJMHSCCYMYKH-KHTIUUMSSA-N 422.550 3.248 50 1 HGGF COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)C[C@H]1Br)[C@@H](C2)C3=O 587417511 NNNHWMWGJVTQJD-BBEJJTJUSA-N 424.291 3.196 50 1 HGGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NN=C2CCCCC2)cc1 40974080 RLIAYHJGIWKXQO-NRFANRHFSA-N 413.543 3.321 50 1 HGGF CC(=O)NCCCc1ccc([C@]2(CCl)NCCc3c(C(=O)O)cccc32)cc1 963127884 YORZTGLLMZHBSJ-QFIPXVFZSA-N 400.906 3.082 50 1 HGGF Cc1c(C(=O)N/N=C/c2ccc(Br)s2)nnn1Nc1ccc(F)cc1 72118512 KFSYOSOKCUTCCX-QGMBQPNBSA-N 423.271 3.189 50 1 HGGF COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@@]42C=C[C@@]1(OC)[C@@H]([C@@H](C)N=C=S)C2 100660479 XVYDBKXHAQVZDF-UWZAAJHQSA-N 424.566 3.407 50 1 HGGF COc1cc2c3c(c1)O[C@@](CBr)([C@H]1COc4ccccc4O1)[C@@H](C2)C3=O 587414841 XXJDOQBEUMOXPH-WSXQUGQNSA-N 417.255 3.416 50 1 HGGF O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccc(CN2CCC[C@H](O)C2)cc1 1857748994 HMHOAUVQRFOYLA-AJPHYDNBSA-N 406.530 3.007 50 1 HGGF CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(Br)s1)C(C)C 103220957 RBHZNOYCNLDBKC-SEYXRHQNSA-N 402.314 3.009 50 1 HGGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC=Cn1c2nc(CCl)cc1=O 587549354 ZOAYDBPQNDJSKY-GCJKJVERSA-N 422.824 3.419 50 1 HGGF COC(=O)[C@]1([C@@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 587671590 USRPBESBOPJVPY-WFEFGEHDSA-N 409.093 3.274 50 1 HGGF CN(C)CCSSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 618009205 SVHVDGUGIVQPRU-INIZCTEOSA-N 413.609 3.312 50 1 HGGF COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CCCC(C)C)c32)cc([N+](=O)[O-])c1O 1857765963 VIDJIRHJKZRDFC-MRXNPFEDSA-N 413.434 3.229 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C1=C(C=O)[C@H](O)[C@H]1CC(C)(C)C[C@H]12 2356387590 ZXLVDZRNPKMJND-LOVWWLSRSA-N 400.471 3.264 50 1 HGGF O=C(O)COc1ccccc1C[C@H]1[C@@H]2CC[C@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 100652181 CQHSEENDVCFMSH-GODGNLEXSA-N 423.469 3.294 50 1 HGGF Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 587747052 OWMNUWAMFMORHQ-BIBXISHDSA-N 417.278 3.436 50 1 HGGF O=C(O)CC[C@@H](CCCSSCCC[C@H](CCC(=O)O)C(=O)O)C(=O)O 13519088 FWXRWGOZASTQKI-VXGBXAGGSA-N 410.510 3.059 50 1 HGGF C[C@H]1OO[C@@H](COC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)[C@H]2O[C@H]21 101422704 FMSPEMZCJBAPCE-DSFWBIQRSA-N 401.297 3.140 50 1 HGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]([C@@](C)(O)[C@@H](O)CBr)C[C@@H]12 2356790738 FXOORJBJRXCTSV-LOVAHEPDSA-N 414.178 3.241 50 1 HGGF COc1cc(CN(CCCl)CCCl)cc2c1C(=O)c1c(O)cccc1C2=O 29391092 HTHFUXFNSAGCHQ-UHFFFAOYSA-N 408.281 3.456 50 1 HGGF COc1ccc([C@@]2([C@H](C)Cl)NCCc3ccc(C(=O)N(C)C)cc32)c(OC)c1 962923956 MODNMSAALVUFHN-RCDICMHDSA-N 402.922 3.422 50 1 HGGF CN[C@H]1CC[C@H](Br)C[C@@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O 169689186 SHHPSHHSRUDILS-ZIUOVVLSSA-N 410.308 3.007 50 1 HGGF COC(=O)[C@H](Cl)[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587721365 POWDICKWAPTNPK-AVNHGCJLSA-N 400.622 3.363 50 1 HGGF CC(C)(N)CNC(=O)CC1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3 95584358 LLBMFUWNUXRCKZ-UHFFFAOYSA-N 406.567 3.290 50 1 HGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 95809773 FJVVZNRNTKTNMR-FYJGNVAPSA-N 414.418 3.045 50 1 HGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=C(N)Oc1ccccc12 587746654 NJZMWEZAOMKYLZ-APBUJDDRSA-N 403.251 3.128 50 1 HGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=C(N)Oc1ccccc12 587746657 NJZMWEZAOMKYLZ-OVWNDWIMSA-N 403.251 3.128 50 1 HGGF CC(C)(C)c1ccc(-c2noc(C(=O)NNC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 40877798 PKRMXVFTJQDOQI-UHFFFAOYSA-N 424.417 3.409 50 1 HGGF COC(=O)CC[C@]1(CCl)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963193355 ZVVZFYIIHQGXJA-SWLSCSKDSA-N 414.207 3.345 50 1 HGGF Cc1cc2c(cc1O)[C@](CBr)(c1ccc(F)cc1F)N[C@H](C(=O)O)C2 963521826 CJMOMYLKMSPKDX-YJBOKZPZSA-N 412.230 3.216 50 1 HGGF O=C(N/N=C/c1ccc(Br)cc1)c1ccc(CN2CCC[C@@H](O)C2)cc1 1857744477 LZZDEKJKKBPVCN-VVJWVBNBSA-N 416.319 3.170 50 1 HGGF CC(=S)N(NC(=O)CC(=O)NN(C(C)=S)c1ccccc1)c1ccccc1 35849830 WRJQYIOTPRMTQA-UHFFFAOYSA-N 400.529 3.147 50 1 HGGF Cc1cc([C@]2(CBr)NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccc1O 963034180 QSSFPFDVSXJSNI-RBZFPXEDSA-N 401.304 3.392 50 1 HGGF O=S(=O)(c1ccccc1)N1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3 43620419 VTVLSMNCKAIOAH-UHFFFAOYSA-N 419.543 3.341 50 1 HGGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)Nc1cccc2ccccc12)B(O)O 1857637648 OOQXYTZMZRYNJJ-GOTSBHOMSA-N 404.319 3.406 50 1 HGGF CCC[C@H](C[C@@H](CCl)OC(C)=O)OC(=O)C(Br)Br 2356790962 GFYKJFVSIXNFHG-BDAKNGLRSA-N 408.514 3.375 50 1 HGGF N#C/C(=C\c1cccc(Br)n1)C(=O)Nc1ccc2c(c1)S(=O)(=O)C=C2 95588376 BDDPSUCLRICYEP-XYOKQWHBSA-N 416.256 3.148 50 1 HGGF COC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1N1CCOCC1 13675423 RKCBAMHPICAVMZ-KRWDZBQOSA-N 400.866 3.035 50 1 HGGF C=CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O 587332331 RYFFBEZINDJXRT-SLYNCCJLSA-N 414.820 3.250 50 1 HGGF COc1ccc(/C=N/NC(=O)c2nc(-c3cc4ccccc4oc3=O)cs2)c(O)c1 1857533636 OILVVKCDGHSUPE-LSHDLFTRSA-N 421.434 3.395 50 1 HGGF COC(=O)[C@@]1(C)[C@H]2CC[C@@]3(C)C(=C(C)C=O)C(=O)C[C@H]3[C@@]2(C)CC[C@H]1OC(C)=O 2356536617 ZQGPUDHBVNDQKG-TWIOMYSKSA-N 404.503 3.418 50 1 HGGF O=C(O)COc1ccccc1C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 26725664 CQHSEENDVCFMSH-BKKBFYIMSA-N 423.469 3.294 50 1 HGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(/C=C\N1CCOCC1)CCl 587547134 ZHCAAPVAFQTEFI-OGBOZSPHSA-N 401.846 3.177 50 1 HGGF Cc1nonc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537422 FHRBPTYPZMWDTN-KBXCAEBGSA-N 417.215 3.336 50 1 HGGF CCOC(=O)C1=C(/C=C/C#N)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 169723451 KDPMDERPFVVZQC-CEKAGXKUSA-N 411.414 3.229 50 1 HGGF CCOC(=O)C1=C(/C=C/C#N)N=C(C)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 169723453 KDPMDERPFVVZQC-INHTXZAOSA-N 411.414 3.229 50 1 HGGF CCOC(=O)c1cc(Br)c2[nH]c(C(C)(C)NC(=O)CCl)nc2c1 587008250 MNQKVXSGNLPJOD-UHFFFAOYSA-N 402.676 3.092 50 1 HGGF C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)/C(C)=C/CC[C@@](C)(OO)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 238746475 RCYULYLGINZBIT-UWTJHCRBSA-N 406.475 3.498 50 1 HGGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@H]1c1cc(B(O)O)ccc1Cl 963186078 GCJOYMRUROHVRH-XZOQPEGZSA-N 402.690 3.232 50 1 HGGF OB(O)c1ccc(COc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)cc1 198165958 LSYOWFCFCUXBCR-UHFFFAOYSA-N 405.650 3.286 50 1 HGGF Cc1cc(=O)c2c(OCC(=O)NNC(=S)Nc3ccccc3)c3ccoc3cc2o1 1857609103 IWVUTARWCQZEDG-UHFFFAOYSA-N 423.450 3.244 50 1 HGGF Cn1c(C(=O)N/N=C/c2ccc(F)cc2)cc(Br)c1Br 169702859 FLPMXRQPVHEGHF-REZTVBANSA-N 403.049 3.453 50 1 HGGF O=C(N/N=C/c1ccc(O)c(O)c1)/C(O)=C\C1=NC2(CCCC2)Cc2ccccc21 101946814 MBYVUCUZQBKEQK-PTIBAAECSA-N 405.454 3.348 50 1 HGGF Cc1nonc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587672489 GDUJPGNZYPLBQF-WJWGPLDTSA-N 419.092 3.452 50 1 HGGF CN(C)C(=O)/C(C#N)=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cn1 148922984 OGMLTZUTACBZHC-MDWZMJQESA-N 417.473 3.320 50 1 HGGF O=C(CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)N/N=C/c1cc(Br)ccc1O 1857638997 VMGJKAQAXURICA-WQEKWUENSA-N 424.245 3.029 50 1 HGGF N#Cc1ccc(OCC(=O)NN/C=C2\S/C(=N/c3ccccc3)N=C2Cl)cc1 13119289 YKHBUNQMIJSLTC-RFTHPBJJSA-N 411.874 3.471 50 1 HGGF COC1=C/C(=C/NNC(=O)C23CC4CC(CC(C4)C2)C3)C=C(Br)C1=O 15973708 ADJHFNKZIVVCMH-GXDHUFHOSA-N 407.308 3.099 50 3 HGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=C(N)Oc1ccccc12 587747430 QGHVMTSJQKDARM-DGIBIBHMSA-N 403.251 3.128 50 1 HGGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cncnc1 587537956 MAWDENNDXHXSSV-VQIMIIECSA-N 413.227 3.434 50 1 HGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(C(=O)Cl)nn2cccnc12 587888002 ALPOLWLVSIUAIU-UHFFFAOYSA-N 421.671 3.126 50 1 HGGF Cc1ccc([C@@H]2C(C#N)=C(N)N3C(=O)CSC3=C2C(=O)Nc2ccccc2)cc1 2627790 OLCJUAGTFNYBJT-GOSISDBHSA-N 402.479 3.212 50 3 HGGF aggregator CC1(C)OB(c2ccc(COC(=O)N(CCCl)CCCl)cc2)OC1(C)C 221736837 NUEHCPQISMYHRP-UHFFFAOYSA-N 402.127 3.402 50 1 HGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CCNC(C)=O)c(F)c1)[C@@H](C2)C3=O 587427738 UQGALGYLDGRPSY-HTAPYJJXSA-N 417.864 3.395 50 1 HGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cnccn1 587537763 KALXESPZDXTGMU-LPHOPBHVSA-N 413.227 3.434 50 1 HGGF NC(=O)[C@@H](Cl)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587883064 UWDXMMZMYLXJIL-SFHVURJKSA-N 409.700 3.469 50 1 HGGF C=C1C[C@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(OC(C)=O)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO 169292974 FRLNJCYJMRBLCV-QXHBTZAQSA-N 408.491 3.268 50 1 HGGF COC(=O)[C@]1([C@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 587671589 USRPBESBOPJVPY-RDOZXCAGSA-N 409.093 3.274 50 1 HGGF O=C(C[n+]1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1)c1ccccc1 2897059 JMEBJDCEOKRFBA-UHFFFAOYSA-O 423.290 3.383 50 3 HGGF CCCCC1=C(Br)[C@](O)(C(Br)Br)OC1=O 85855518 JCYSHOZCQQQZIK-SECBINFHSA-N 406.896 3.187 50 1 HGGF N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(CCCC2)[C@@H]1c1ccccc1O 102130302 AKQWJZFQFBLLGL-OAQYLSRUSA-N 422.510 3.165 50 1 HGGF CCCN1N=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Cl)C1=O 587708176 XZKJOEODTOXDAK-AUYAEMIRSA-N 402.695 3.163 50 1 HGGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(O)c3O)cc(Br)c1OC 38153940 NXJDWSFSAVXKMI-CQSZACIVSA-N 419.231 3.096 50 1 HGGF CCOC(OCC)c1ccc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)cc1 1772598353 QHEZPPCHTPVDEB-JJIBRWJFSA-N 413.518 3.463 50 1 HGGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CNC(=O)CCl)c(C)c1 587902167 MQTLSVKTPFAAFL-UHFFFAOYSA-N 405.281 3.350 50 1 HGGF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(C(=O)NN)cc3[nH]2)cc1F 587144297 LFUYZQYCYPPSTO-UHFFFAOYSA-N 404.401 3.212 50 1 HGGF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(=C(C#N)c2c(F)cccc2F)CC1 222813921 VDVDABQETCMGBF-UHFFFAOYSA-N 406.458 3.077 50 1 HGGF NNC(=O)CSc1nc2ccc(-c3ccccc3)cc2c(=O)n1-c1cccc(F)c1 28356091 HPAOOBFRIGSWCP-UHFFFAOYSA-N 420.469 3.274 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]1C(C=O)=C[C@@]1(O)CC(C)(C)C[C@@H]12 85635128 CYANGADGENNSLV-ALHKPFAZSA-N 400.471 3.264 50 1 HGGF in-man O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1O)c1cc(-c2ccc(Cl)cc2)n[nH]1 84690243 SKHOKHRJXNPFEA-IAGOWNOFSA-N 417.252 3.271 50 1 HGGF COc1ccc2c(c1OC)[C@@]1(C(C=O)=C(N)Oc3ccc(Cl)cc31)N(C)[C@@H](C)C2 962617265 CAWPHSGOSIEULC-AMXDTQDGSA-N 414.889 3.239 50 1 HGGF CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O 587328668 JVIVHZCQMQZZNT-IMFGXOCKSA-N 402.809 3.084 50 1 HGGF Cc1nonc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673833 QPOLOCXXEYSGMM-UOWDBTKRSA-N 419.092 3.452 50 1 HGGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C\c2cccc(C(=O)O)c2)ccc1C(=O)O 145275248 ZPHAURPRJQDKOS-FMCGGJTJSA-N 405.410 3.254 50 1 HGGF COC1=C/C(=C\NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)C(=O)C=C1 13123372 RXQAIHRANQXZDJ-LDADJPATSA-N 422.510 3.173 50 3 HGGF COc1cc2c3c(c1)O[C@@](c1ccc(NS(C)(=O)=O)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587451750 ZQDOYXSZCDVZKM-BFKBOQTRSA-N 421.902 3.337 50 1 HGGF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)c2ccccc2CC[C@H]1Br 963493816 XHMWWRJOTZXXJN-ILZDJORESA-N 402.288 3.253 50 1 HGGF COc1nc2ccc(Cl)cc2cc1[C@@H]1[C@H](Cl)C(=O)N1NC(=O)c1ccncc1 1772653980 MXOFHJNLFZSADB-JKSUJKDBSA-N 417.252 3.128 50 1 HGGF O=C(O)Cc1cccc(C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)[C@H]3CC[C@H]2O3)c1 195224397 AGZOJGNFCHGAFI-WULMURCZSA-N 407.470 3.457 50 1 HGGF NNC(=O)c1ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1 587114698 XDYJBJNICHRQRQ-UHFFFAOYSA-N 423.420 3.057 50 1 HGGF COc1ccc(CC(=O)N/N=C\c2ccc(-c3cccc(C(=O)O)c3)o2)cc1OC 15979393 XGTKVTPOUHKACF-QRVIBDJDSA-N 408.410 3.355 50 1 HGGF C[C@@H]1CCCC[C@@H]1[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C/C=C\COCC(=O)O 33821986 JPMWVHYATGJOOX-ALWKSLPKSA-N 400.943 3.382 50 1 HGGF in-vitro CC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 95583838 QQFAYRREXSCMPV-UHFFFAOYSA-N 408.539 3.179 50 1 HGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(F)c(CCNC(C)=O)c1)[C@@H](C2)C3=O 587424945 YMTUNHNXPXOFIB-HTAPYJJXSA-N 417.864 3.395 50 1 HGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccncn1 587537420 FGKRDFGWCUOCLP-QFBILLFUSA-N 413.227 3.434 50 1 HGGF O[C@@H]1[C@@H](CBr)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O 32139441 VGJBABRJAXMGPI-GWOFURMSSA-N 416.486 3.011 50 1 HGGF CCOC(=O)/C(C#N)=C\c1cccc(C(=O)c2c(CC)c(C)[nH]c(=O)c2N(C)C)c1 34080943 SNPMXKFCFAYAHD-ATVHPVEESA-N 407.470 3.013 50 1 HGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(N)=O)n(C)c2)N1 587683996 IVFGWEROHNBFPJ-HUTHGQBESA-N 414.706 3.042 50 1 HGGF O=C(O)Cc1cccc(C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 3914904 AGZOJGNFCHGAFI-ULWCYRNRSA-N 407.470 3.457 50 1 HGGF COc1cc(/C=N\NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 33326489 UKALBKWMMQFNAY-JMIUGGIZSA-N 419.459 3.004 50 1 HGGF CCOC(=O)CN1C(=O)[C@H](OC)[C@H]1C(CC)(CC)SSC(C=O)(CC)CC 73162423 GUYKHEUKZKYPRT-CVEARBPZSA-N 419.609 3.473 50 1 HGGF COC(=O)Nc1nc2ccc(OCc3nnc(SC(=O)CCl)o3)cc2s1 1857771861 PGHDPBITKVAZTG-UHFFFAOYSA-N 414.852 3.294 50 1 HGGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](C(=O)Cl)(c2c[nH]c3ccccc23)N1 963232433 NNWSEGJKFQASQB-UGKGYDQZSA-N 405.841 3.324 50 1 HGGF O=C(O)c1cccc(Cn2c(Cl)c(/C=N\NC(=O)c3ccccc3)sc2=O)c1 15979107 AOFOECMGXMCBNK-FBHDLOMBSA-N 415.858 3.074 50 1 HGGF COc1ccc([C@@]2([C@@H](C)Cl)NCCc3ccc(C(=O)N(C)C)cc32)c(OC)c1 962923171 MODNMSAALVUFHN-JLCFBVMHSA-N 402.922 3.422 50 1 HGGF COC(=O)[C@]1([C@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 587671587 USRPBESBOPJVPY-CYVIZDSUSA-N 409.093 3.274 50 1 HGGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(N1)c1ccccc1C[C@@H]2Br 963224295 BRIQLFMKUGIJLB-IRFCIJBXSA-N 409.283 3.397 50 1 HGGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCl)c1ccc(NS(C)(=O)=O)cc1 963637632 SYRBIACTMXWRFD-ZUOKHONESA-N 424.950 3.092 50 1 HGGF CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587689419 SGEWGFAHDTVTFF-KRMBAHDKSA-N 406.679 3.077 50 1 HGGF C/C=C1/C[N+]2(CCl)CCc3c([nH]c4ccccc34)[C@@](CO)(C(=O)OC)[C@H]1CC2 238775191 RLIMFICAKVOJON-NOAIWHDXSA-N 403.930 3.106 50 1 HGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc2c(c1)OCCO2 95809054 JNXDFUBLWGDLQS-HZHRSRAPSA-N 411.458 3.203 50 1 HGGF CO[C@@H](C(=O)N/N=C/c1ccc(F)c(Br)c1)c1ccc2c(c1)OCCO2 84723797 GHYRVAGOHZJRGR-LYUVJKPTSA-N 423.238 3.197 50 1 HGGF COC(=O)[C@]1([C@@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 587671588 USRPBESBOPJVPY-PSQXESDUSA-N 409.093 3.274 50 1 HGGF COc1ccc(C(=O)N/N=C2\C(=O)c3cnn(-c4ccccc4)c3CC2(C)C)cc1 13110934 JWTSZBCGQZEDNA-NJNXFGOHSA-N 402.454 3.432 50 3 HGGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587416739 DKSCDEDNLZDLBG-QRDCCXFBSA-N 409.276 3.308 50 1 HGGF COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([C@H](C)N=C=S)C2 26385639 XVYDBKXHAQVZDF-FKVCRMQDSA-N 424.566 3.407 50 1 HGGF CC(C)N1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O 587326429 BUEYUJPDXOOQKU-HFSMHLIXSA-N 416.836 3.473 50 1 HGGF COC(=O)[C@]1([C@@H](Cl)C(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587689874 XNHZLVMZCDMPCV-ASOWGIATSA-N 418.690 3.077 50 1 HGGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)Nc2ccnn2C(N)=C1C#N 82053104 QKXPOUVRXWYWOS-NSHDSACASA-N 415.259 3.119 50 1 HGGF Cc1cccc2nc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CCl)nn12 117852647 HGLIKLBTAKSLQK-AWEZNQCLSA-N 401.923 3.348 50 1 HGGF O=C(CCCCBr)NCC1=Cc2ccccc2O[C@@]1(O)C(F)(F)F 473088056 NQFQHRJNJBJQMD-OAHLLOKOSA-N 408.214 3.395 50 1 HGGF CCOC(=O)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539925 YRHAGFBKISTERQ-KDOFPFPSSA-N 407.216 3.051 50 1 HGGF Cc1nc(-c2cccc([N+](=O)[O-])c2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 653905723 DBKPWXLWCCSING-GFMRDNFCSA-N 415.409 3.076 50 1 HGGF CCOC(=O)[C@]1(CCBr)CCC[C@]12NCCc1c(C(=O)O)cccc12 963119457 FEJLUUIMKMUSTR-RTBURBONSA-N 410.308 3.244 50 1 HGGF CC1=C(CO[P@](N)(=O)N(CCCl)CCCl)C(=O)c2ccccc2C1=O 100869375 UUZZTXDOLUXZNC-VWLOTQADSA-N 405.218 3.245 50 1 HGGF COCCOc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)CCl)cc2)n1 653863011 ZQDREBOPNSEJRW-UHFFFAOYSA-N 404.829 3.276 50 1 HGGF COc1ccc(OC)c([C@@H]2[C@@H]3CN(C(C)C)CCC3=C(C#N)C(=N)C2(C#N)C#N)c1 169688620 LUIDVDLEJSYDRE-TZIWHRDSSA-N 403.486 3.405 50 1 HGGF CC(C)(C)OC(=O)N[C@H](CCCCCB(O)O)C(=O)Nc1cnc2ccccc2c1 195109560 QAGGHXSLYHBTGS-GOSISDBHSA-N 415.299 3.100 50 1 HGGF CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCSSCCN(C)C 618008875 NDEKSIDZZZIRLG-GJZGRUSLSA-N 407.646 3.375 50 1 HGGF CCOC(=O)[C@@H](Br)[C@]1(c2ccccc2)NCCc2nc3ccccn3c21 962990602 RMYKYQXNETUELR-XLIONFOSSA-N 414.303 3.050 50 1 HGGF O=S(=O)(c1ccccc1)N1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3 44146020 RYXXCVYKUGCDMC-UHFFFAOYSA-N 419.543 3.341 50 1 HGGF CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689421 SGEWGFAHDTVTFF-QZOJXLDYSA-N 406.679 3.077 50 1 HGGF Cc1c(O)ccc2c1[C@@](CBr)([C@@H](C#N)c1ccccc1)N[C@H](C(=O)O)C2 963509372 MMNMTMKMLOGJGX-TWOQFEAHSA-N 415.287 3.197 50 1 HGGF CCOc1cc(Br)cc(/C=N\NC(=O)COc2cccc(C)c2)c1O 64394343 SPYHLQQFJZNEPM-JMIUGGIZSA-N 407.264 3.391 50 1 HGGF CC(=O)O[C@H]1C=C(C)[C@]2(C)CC[C@@H](C(=O)O)[C@](C)(CC/C(=C/C=O)C(=O)O)[C@H]2C1 238743055 XVTXYSXFTDXMFZ-NJZSVCIVSA-N 406.475 3.382 50 1 HGGF COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)C[C@H]1Br)[C@@H](C2)C3=O 587417515 NNNHWMWGJVTQJD-CFZJUORYSA-N 424.291 3.196 50 1 HGGF CN[C@H]1CC[C@H](Br)C[C@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O 100496088 SHHPSHHSRUDILS-DMRXOPKOSA-N 410.308 3.007 50 1 HGGF CCOC(=O)c1c(C)[nH]c(C(=O)OC/C(O)=C(/C#N)c2nc3ccccc3[nH]2)c1C 102618112 XDDCWRDHDZXOCH-DTQAZKPQSA-N 408.414 3.334 50 1 HGGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl 299809547 FCSHDIVRCWTZOX-FMUQRHNKSA-N 410.913 3.142 50 1 HGGF CC(C)NC(=O)c1ccc(Cc2ccc(F)c(/C=C(\C#N)S(C)(=O)=O)c2)cc1 1857613384 XWOGBIPFRKHXPQ-XDHOZWIPSA-N 400.475 3.464 50 1 HGGF O=C(Cc1ccccc1)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O 28011067 FYDCOERXNBRZDS-IBGZPJMESA-N 423.340 3.325 50 1 HGGF CN[C@H]1CC[C@@H](Br)C[C@@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O 169689184 SHHPSHHSRUDILS-YNKKIRQSSA-N 410.308 3.007 50 1 HGGF COc1nc2ccc(Cl)cc2cc1[C@H]1[C@@H](Cl)C(=O)N1NC(=O)c1ccncc1 1772653977 MXOFHJNLFZSADB-CVEARBPZSA-N 417.252 3.128 50 1 HGGF CO[C@@]12C=C[C@@]3(C[C@@H]1N=C=S)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5 100687124 QJFJMHSCCYMYKH-IDGHOZSLSA-N 422.550 3.248 50 1 HGGF Cn1c(OC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cnc1[N+](=O)[O-] 27640458 ZPCNGGAYOYQEMG-UHFFFAOYSA-N 402.238 3.223 50 1 HGGF NNC(=O)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587183398 ZHZBXBYBYNYXSX-UHFFFAOYSA-N 412.618 3.091 50 1 HGGF C[C@H](C(=O)N(C)CCSSCCN(C)C)N(C)C(=O)OCc1ccccc1 618009338 BGBHTLQFDJUJSE-MRXNPFEDSA-N 413.609 3.045 50 1 HGGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](C(=O)Cl)(c2c[nH]c3ccccc23)N1 963231663 NNWSEGJKFQASQB-KNQAVFIVSA-N 405.841 3.324 50 1 HGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 95809383 WTMRBFJAEBNJLG-FYJGNVAPSA-N 414.418 3.045 50 1 HGGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1N1CCOCC1 13491828 VHCHHBWRTJDFKN-GOSISDBHSA-N 414.893 3.425 50 1 HGGF O=C(O)Cc1cccc(C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 299804961 AGZOJGNFCHGAFI-ZYWPZRKOSA-N 407.470 3.457 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(S(C)(=O)=O)cc1)O2 587409567 MMALXGJSSAJQHV-SFHVURJKSA-N 424.316 3.236 50 1 HGGF COC(=O)[C@]1([C@H](Cl)C(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689876 XNHZLVMZCDMPCV-IQSNUIKMSA-N 418.690 3.077 50 1 HGGF COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccccc2)cc1 40892930 KOMBWBVSCNPGTE-ALAMRGAJSA-N 401.466 3.187 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 84615071 WTVMVUJOBOGEOT-JVHZTCESSA-N 410.539 3.104 50 1 HGGF CCO/C(O)=C1\C(C[S@@](=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccn1 40685257 WZRYNQXSXVHJKP-KVUXIHKBSA-N 408.483 3.426 50 1 HGGF Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2c1 72124467 NPXYCDKYQFAXNE-QFIPXVFZSA-N 414.465 3.304 50 1 HGGF Cc1nonc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537423 FHRBPTYPZMWDTN-KDOFPFPSSA-N 417.215 3.336 50 1 HGGF CCOC(=O)[C@@H](Cl)[C@]1(C(=O)OCC)c2ccsc2CCN1Cc1cccnc1 962993419 INMIFHDJKKZRMN-XLIONFOSSA-N 422.934 3.130 50 1 HGGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccc3nccnc3c2)ccc1C(=O)O 219895383 JFWZJKCNXNJJET-LGJNPRDNSA-N 413.437 3.499 50 1 HGGF CCOC(=O)C1=C(C)NC(CCl)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 33882615 BQZUKPLXYKHMHX-INIZCTEOSA-N 408.838 3.175 50 1 HGGF COc1cc(/C=N\NC(=O)c2cc(O)cc(O)c2)ccc1OC(=O)c1ccccc1 60311226 IBAJQZZCCHZACD-QRVIBDJDSA-N 406.394 3.090 50 1 HGGF CCOC(=O)C1=C(CCl)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 79205518 UWYILHOTOJGHKJ-HZPDHXFCSA-N 408.838 3.388 50 1 HGGF COc1cc2c3c(c1)O[C@](CCl)(CCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587416940 GRTVUABAZYQBFT-AOMKIAJQSA-N 411.841 3.107 50 1 HGGF COc1ccc2c3c1O[C@@H]1[C@]4(OC)C=C[C@]5(C[C@@H]4[C@@H](C)N=C=S)[C@@H](C2)N(C)CC[C@]315 36311332 XVYDBKXHAQVZDF-PESZCMNGSA-N 424.566 3.407 50 1 HGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 587729303 GUVRQAUEKCLPSD-HOGDKLEQSA-N 421.241 3.267 50 1 HGGF CC(C)[C@@]1(c2ccc(B(O)O)cc2)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963197947 UMZFJBPDRBIHKJ-CLJLJLNGSA-N 410.326 3.389 50 1 HGGF COC(OC)(c1ccccc1)C(I)I 5954849 LRZOAPVOZRNSRW-UHFFFAOYSA-N 418.012 3.328 50 1 HGGF O=C1OC(=O)[C@H]2[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])C=C(c1ccco1)N2c1ccncc1 195511027 DFISPJSMZMAQTE-UIAACRFSSA-N 417.377 3.296 50 1 HGGF C[C@@H]1O[C@@]2([C@H](CO)OCOCc3ccccc3)CO[C@H]1[C@H]2O[Si](C)(C)C(C)(C)C 2356705586 VKNZRUAREFLWJE-ZTPQHHQPSA-N 424.610 3.485 50 1 HGGF O=C(CSc1nnc(NC(=O)CCCCl)s1)Nc1ccc(Cl)cn1 96908519 GZQHCMXJDSMBEM-UHFFFAOYSA-N 406.320 3.275 50 1 HGGF CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 473112953 DUSHSZOUEODLQI-MFKUBSTISA-N 402.454 3.425 50 1 HGGF NNC(=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586960843 QCYSCEYNJSPFQT-LJAQVGFWSA-N 404.495 3.205 50 1 HGGF C[C@@H](S[C@H](C)C(=O)NN=Cc1ccc(F)cc1)C(=O)NN=Cc1ccc(F)cc1 4726568 WQZBJECPVQLPCI-ZIAGYGMSSA-N 418.469 3.075 50 3 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(S(C)(=O)=O)c1)O2 587411407 ZNZLLXQQQCMGOP-SFHVURJKSA-N 424.316 3.236 50 1 HGGF C[C@H]1CCCC[C@H]1[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C/C=C\COCC(=O)O 33821989 JPMWVHYATGJOOX-HCVLXNQESA-N 400.943 3.382 50 1 HGGF in-vitro COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H]2O[C@@H](O)[C@H](C)[C@@]24CC[C@]3(C)OO4)cc1 64453578 WBNLLPDZRSVUHK-HRARYXMLSA-N 404.503 3.459 50 1 HGGF O=C(O)Cc1cccc(C[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 169337213 AGZOJGNFCHGAFI-CVMCYLOFSA-N 407.470 3.457 50 1 HGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cncnc1 587537954 MAWDENNDXHXSSV-QFBILLFUSA-N 413.227 3.434 50 1 HGGF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)c2ccccc2CC[C@@H]1Br 963493818 XHMWWRJOTZXXJN-XKGZKEIXSA-N 402.288 3.253 50 1 HGGF Cc1ccc2nc(Cl)c([C@@H]3[C@H](Cl)C(=O)N3NC(=O)c3ccncc3)cc2c1 1772570896 OPLMNNCGWBCDTH-JKSUJKDBSA-N 401.253 3.427 50 1 HGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CCl)(c2cnc(N3CCCCC3)s2)N1 962915200 AXTWFNLLVYEARP-KXBFYZLASA-N 409.914 3.354 50 1 HGGF O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)N1CCOCC1 44146306 DVUSZFGMSULZQQ-UHFFFAOYSA-N 407.507 3.184 50 1 HGGF CCCCCCC(=O)Oc1ccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 169336603 SUHMWEAYLFHLNC-HTXNQAPBSA-N 417.414 3.228 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1C)[C@H]2O5 101617924 WTVMVUJOBOGEOT-GKCONQOXSA-N 410.539 3.104 50 1 HGGF COc1ccc(OC)c([C@H]2[C@@H]3CN(C(C)C)CCC3=C(C#N)C(=N)C2(C#N)C#N)c1 169688621 LUIDVDLEJSYDRE-CTNGQTDRSA-N 403.486 3.405 50 1 HGGF CN(C)CCSSCCn1cc(CNC(=O)c2cccc3ccccc23)nn1 618010338 UCFRFOUAAHKFMA-UHFFFAOYSA-N 415.588 3.304 50 1 HGGF Cc1ccc([C@H]2C(C#N)=C(N)N3C(=O)CSC3=C2C(=O)Nc2ccccc2)cc1 2627789 OLCJUAGTFNYBJT-SFHVURJKSA-N 402.479 3.212 50 3 HGGF aggregator Cc1cc(SCC(=O)NN/C=C2/C=CC(=O)C(O)=C2)c(C)cc1Br 13110666 GARAEEQDYRTOLG-WQLSENKSSA-N 409.305 3.244 50 3 HGGF CN[C@@H]1CC[C@@H](Br)C[C@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O 100496090 SHHPSHHSRUDILS-TZRWKLSFSA-N 410.308 3.007 50 1 HGGF N[C@@H](N=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009355 BIRLGLWLFGHFFF-HKUYNNGSSA-N 410.865 3.407 50 1 HGGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CBr)c1ccc(Cl)nn1 963608397 KZHCLRYFJZTMMN-DYZYQPBXSA-N 412.715 3.320 50 1 HGGF C[C@H](S[C@H](C)C(=O)NN=Cc1ccc(F)cc1)C(=O)NN=Cc1ccc(F)cc1 4726566 WQZBJECPVQLPCI-OKILXGFUSA-N 418.469 3.075 50 3 HGGF CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1-c1ccccc1)B(O)O 1857553418 VNEXTJNXTBBNAH-FGZHOGPDSA-N 424.350 3.041 50 1 HGGF COC(=O)[C@@H]1N2C(=O)[C@H](Cl)[C@H]2S[C@@]1(C)CSc1nc2ccccc2s1 473145354 PRAOWGFBZAENHZ-NLZNIHBBSA-N 414.961 3.211 50 1 HGGF CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689970 YDQIKGMSIAAAMO-QZOJXLDYSA-N 406.679 3.077 50 1 HGGF O=C(Cc1ccccc1)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O 28011062 FYDCOERXNBRZDS-LJQANCHMSA-N 423.340 3.325 50 1 HGGF CCOC(=O)[C@]1([C@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537330 CUEHUJYXHORMFS-SGJUXQJHSA-N 421.243 3.439 50 1 HGGF O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 49115245 KIQVXROYXZSSLH-KEBDBYFISA-N 402.407 3.265 50 1 HGGF Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 72124483 BHDJMQFABDZPRW-NRFANRHFSA-N 416.481 3.195 50 1 HGGF O=C(OC1CC1)c1ccc([C@]2(CBr)NCCc3ccc(O)cc32)cc1 963329716 ROKZRJHMJKKEJD-FQEVSTJZSA-N 402.288 3.496 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@@H]1N=C=S)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5 26258635 QJFJMHSCCYMYKH-ORMUKAMASA-N 422.550 3.248 50 1 HGGF O[C@@H]1[C@@H](CBr)O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O 27876103 VGJBABRJAXMGPI-DBIOUOCHSA-N 416.486 3.011 50 1 HGGF CN[C@@H]1CC[C@H](Br)C[C@@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O 169689185 SHHPSHHSRUDILS-IQHCLDOUSA-N 410.308 3.007 50 1 HGGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)Oc1cccc2ccccc12)B(O)O 1857638662 JLDRHTLSTJDTQN-GOTSBHOMSA-N 405.303 3.373 50 1 HGGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccccc2)cc1 40892581 OUPOIBQNHQCPEW-ZRZWOPFXSA-N 421.522 3.035 50 1 HGGF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCSSCCN(C)C 618008707 JTRUQBYGKGONTA-HNNXBMFYSA-N 407.646 3.375 50 1 HGGF CCCCCCCC(=O)O[C@@H]1C2=C(C=O)[C@]34C[C@@]3(CC2=CC1(C)C)C(=O)O[C@@H]4O 2356720882 MIYIESSPGYJWFP-VLSUOOLDSA-N 402.487 3.376 50 1 HGGF NNC(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587166269 PYBBSSVQXKPKTE-UHFFFAOYSA-N 406.446 3.273 50 1 HGGF C=C[C@]1(C)[C@H](Cl)C[C@H]2C(=O)[C@@]1(N=C=S)C1=CC=C[C@@H]3NC(=O)[C@H]([C@H]13)C2(C)C 2356809041 ANAIJPORCUZMPW-PNLZKCNGSA-N 402.947 3.484 50 1 HGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(CBr)nc1 587876212 ASRSPMDPUAZDKE-UHFFFAOYSA-N 413.102 3.389 50 1 HGGF O=C(CCCCBr)NCC1=Cc2ccccc2O[C@]1(O)C(F)(F)F 473088052 NQFQHRJNJBJQMD-HNNXBMFYSA-N 408.214 3.395 50 1 HGGF COc1cc(Cl)c2c(c1Cl)/C(=N/NC(=O)[C@@H](C)c1ccc(O)cc1)C(=O)N2 72178728 KDRXFISVORIOMT-QMMMGPOBSA-N 408.241 3.284 50 1 HGGF COCCOc1nc(-c2cccc(C)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 653899218 LDCGPQGTMWTYDD-UHFFFAOYSA-N 400.866 3.445 50 1 HGGF CCOC(=O)[C@@]1(CCBr)CCC[C@@]12NCCc1c(C(=O)O)cccc12 963119454 FEJLUUIMKMUSTR-OALUTQOASA-N 410.308 3.244 50 1 HGGF O=C(N/N=C/c1cc2ccccc2n1S(=O)(=O)c1ccccc1)c1ccccn1 95809322 QJXIQUBCQBNPCV-HZHRSRAPSA-N 404.451 3.037 50 1 HGGF CN[C@@H]1CC[C@H](Br)C[C@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O 100496086 SHHPSHHSRUDILS-HAKLAULCSA-N 410.308 3.007 50 1 HGGF O=C(N/N=C/c1ccc(I)cc1)c1ccc2c(c1)OCCCO2 1772600013 FFQFQIDNAXYEPQ-YBFXNURJSA-N 422.222 3.216 50 1 HGGF O=C(NNC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])s3)nc2c1)c1ccccc1 66075602 GURXKDBQBYXUSU-UHFFFAOYSA-N 407.411 3.274 50 1 HGGF O=C(NNc1ccc(I)cc1)C(=O)c1c[nH]c2ccccc12 72176358 BKEUYJBIIOQHJE-UHFFFAOYSA-N 405.195 3.099 50 1 HGGF CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Cl)C1=O 587328670 JVIVHZCQMQZZNT-YVWKXTFCSA-N 402.809 3.084 50 1 HGGF COC(=O)CCCCCCC(=O)N/N=C/c1cc2c(cc1Br)OCO2 95808711 HMSCJMKJTWCPID-VXLYETTFSA-N 413.268 3.142 50 1 HGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCC(=O)O)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101281339 ZNOOBMSYKYNKMI-QRNROGEESA-N 410.385 3.228 50 1 HGGF COc1ccc([C@]2([C@H](C)Cl)NCCc3ccc(C(=O)N(C)C)cc32)c(OC)c1 962923167 MODNMSAALVUFHN-FPTDNZKUSA-N 402.922 3.422 50 1 HGGF COC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)N/C=C1\C=CC=CC1=O 104011500 FSCJMTRZBHMIJP-POWXATIXSA-N 423.340 3.223 50 3 HGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC=Cn1c2nc(CCl)cc1=O 587549340 ZOAYDBPQNDJSKY-AVRDEDQJSA-N 422.824 3.419 50 1 HGGF O=C(O)c1ccc(-n2cc(/C=N/NC(=O)c3ccncc3)c(-c3ccccc3)n2)cc1 1772575169 PBOHCZYOQLQNAT-AFUMVMLFSA-N 411.421 3.396 50 1 HGGF COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccccc1 33341716 IATCOYWEZCHKTF-OYKKKHCWSA-N 419.437 3.182 50 1 HGGF CCOC(=O)C[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538103 NKPOYOFBKKHROV-VQIMIIECSA-N 421.243 3.441 50 1 HGGF COC(=O)[C@]1([C@@H](Cl)C(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689877 XNHZLVMZCDMPCV-UQNYDYMRSA-N 418.690 3.077 50 1 HGGF CC(C)N1N=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Cl)C1=O 587701963 COZLSAGUNNPXGD-WKFLNTIRSA-N 402.695 3.162 50 1 HGGF COC(=O)C=Cc1ccc(OC(=O)C[C@@H](C)OC(C)=O)c(C=CC(C)(C)OO)c1 2356686795 SSDKOFIZUJKNAI-CQSZACIVSA-N 406.431 3.401 50 1 HGGF CCCN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@]2(OC)C=C[C@@]3(C[C@@H]2N=C=S)[C@@H]1C5 100687092 BZNCZXAACAGXCK-FALLCTENSA-N 410.539 3.248 50 1 HGGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1cccc([N+](=O)[O-])c1 1772648355 LCJFRZTXQVWWAC-SFHVURJKSA-N 410.393 3.492 50 1 HGGF CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc3ccccc3n2C)cc1 1857647917 UOCNJGDKNOFJFK-UHFFFAOYSA-N 424.526 3.016 50 1 HGGF O=C(O)Cc1cccc(C[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 26731692 AGZOJGNFCHGAFI-MSDJZVLDSA-N 407.470 3.457 50 1 HGGF O=C(O)Cc1ccc(C[C@H]2[C@@H]3CC[C@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)cc1 100854030 VTJKWCBVZXGWSP-XEFHJSOSSA-N 407.470 3.457 50 1 HGGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(O)c(C=O)c1)[C@@H](C2)C3=O 587414437 MHQJRHJPKQIVNG-IFXJQAMLSA-N 403.228 3.251 50 1 HGGF OB(O)c1ccc(OCc2ccccc2)cc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963096128 CQBSCKLFPTZDDM-NBGIEHNGSA-N 417.289 3.194 50 1 HGGF CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1-c1ccccc1)B(O)O 1857553417 VNEXTJNXTBBNAH-FCHUYYIVSA-N 424.350 3.041 50 1 HGGF CC(C)CN(NC(=O)c1cccc2cc[nH]c12)c1nc(C#N)ncc1Br 58583754 XHTAFUCKMGDYHY-UHFFFAOYSA-N 413.279 3.399 50 1 HGGF CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2c[nH]c3ccccc23)cc1 1857644729 UATCPHIHKWCRBW-UHFFFAOYSA-N 410.499 3.006 50 1 HGGF CCOC(=O)[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587674630 YHUWPVZDSQBVEE-RMLUDKJBSA-N 409.093 3.276 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@]3(O)C=C(C=O)[C@H]12 100782784 CYANGADGENNSLV-WUGFPGBASA-N 400.471 3.264 50 1 HGGF endogenous,in-man O=C(O)Cc1ccc(C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)[C@H]3CC[C@H]2O3)cc1 195220274 VTJKWCBVZXGWSP-WULMURCZSA-N 407.470 3.457 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(NS(C)(=O)=O)cc1)([C@@H](C)Cl)O2 587410353 RAXMWHLVRYUJDI-BLVKFPJESA-N 408.907 3.437 50 1 HGGF O=C(O)Cc1cccc(C[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 100652163 AGZOJGNFCHGAFI-FYZFUAQQSA-N 407.470 3.457 50 1 HGGF O=C(O)COc1cccc(C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 299808226 JFLGDEPZDPAZLY-JJVPIIHMSA-N 423.469 3.294 50 1 HGGF O=C(O)COc1ccccc1C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 299804984 CQHSEENDVCFMSH-JOWZSANQSA-N 423.469 3.294 50 1 HGGF Cc1c(O)ccc2c1[C@](CCl)(c1ccc(C(F)(F)F)cn1)N[C@H](C(=O)O)C2 963494258 ZHPSMYQPJIXGQN-SJCJKPOMSA-N 400.784 3.196 50 1 HGGF COc1ccc(-c2coc3cc(OC(=O)CBr)cc(O)c3c2=O)cc1 84616550 FHAUARLSCCQMAN-UHFFFAOYSA-N 405.200 3.475 50 1 HGGF C=C1C[C@@H]2O[C@H]3[C@H]4[C@H](CC[C@@](C)(OC(C)=O)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO 42877587 FRLNJCYJMRBLCV-OVLRYGLWSA-N 408.491 3.268 50 1 HGGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(OC)cc2)no1)SC 103219657 RVFRIWBYQNUHIY-HTXNQAPBSA-N 417.487 3.118 50 1 HGGF COc1ccc(OCC(=O)NNC(=S)NCc2ccc(-c3ccccc3)cc2)cc1 96285277 AGHQNFUMFHJXCI-UHFFFAOYSA-N 421.522 3.437 50 1 HGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H]([C@@](C)(O)C(=O)CBr)C[C@@H]12 2356791920 JDLJKQXEXAGIDT-TZANDKBRSA-N 412.162 3.449 50 1 HGGF C=C1CC/C=C(\C)[C@H](OC(C)=O)[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2O[C@@]2(C)CC[C@@H]1OO 238786180 GFWUCUVAEYBQOX-HXGWBVKGSA-N 406.475 3.498 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@@]12O 15115438 SJZRUQOYQZRISL-AEFBQFJTSA-N 400.471 3.264 50 1 HGGF endogenous,in-man CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](Cl)C[C@@]21C 253637387 VMBNVFFKWHQNCC-YQKAUVFSSA-N 420.933 3.375 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@@]12O 15115434 SJZRUQOYQZRISL-SOAPDBSMSA-N 400.471 3.264 50 1 HGGF endogenous,in-man COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1sc(=O)n(CCCl)c1Cl 963609244 NEMWNNSZRRWSRB-YMTOWFKASA-N 403.331 3.443 50 1 HGGF CN(C)CCSSCCN(C)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 618010047 OPHVRGLOXWMVAD-HNNXBMFYSA-N 405.630 3.177 50 1 HGGF CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)c3nc4ccccc4o3)cc2)C(=O)O1 40741570 JETCZRVYGFOMDB-BXBHGGAKSA-N 402.410 3.353 50 1 HGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]([C@](C)(O)[C@@H](O)CBr)C[C@@H]12 2356790736 FXOORJBJRXCTSV-FCNPYSRZSA-N 414.178 3.241 50 1 HGGF CCCCCC(=O)Oc1ccc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 142292819 RLMWJEFOZLQOMN-ATVHPVEESA-N 401.415 3.343 50 1 HGGF CCOC(=O)c1ccc(/N=N/N(C)C(=O)OCOC(=O)c2ccccc2O)cc1 72177953 IUMVKDOQGJRGTR-QZQOTICOSA-N 401.375 3.451 50 1 HGGF COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc3c(c2)OCCO3)ccc1C(F)(F)F 84671614 ZAVNBVYHXSHANL-DAFNMPDCSA-N 424.375 3.323 50 1 HGGF CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc3ccccc3o2)cc1 1857761971 KPSCIVBAFRHIDE-UHFFFAOYSA-N 411.483 3.271 50 1 HGGF COc1ccccc1-c1ccc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)c(C)n1 653871658 OBDPVVQROQZQBB-DAFNUICNSA-N 400.438 3.176 50 1 HGGF Cc1cc(C)nc(SCc2ccc(C(=O)NN/C=C3\C=CC=C(O)C3=O)cc2)n1 100371086 ICUUJCCUPXXXGD-GZTJUZNOSA-N 408.483 3.085 50 3 HGGF O=C(O)COc1cccc(C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 299808224 JFLGDEPZDPAZLY-IWABSUPJSA-N 423.469 3.294 50 1 HGGF C=CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Cl)C1=O 587332334 RYFFBEZINDJXRT-YFVAEKQCSA-N 414.820 3.250 50 1 HGGF CC(C)[C@@H](C(=O)NCCCSSCCN(C)C)N1Cc2ccccc2C1=O 618012736 YWZFIPWECCNKRF-SFHVURJKSA-N 409.621 3.116 50 1 HGGF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)NN)cc3[nH]1)[C@H]1CC=C[C@H]21 587277136 PMWXCASHDPHMOJ-NJSLBKSFSA-N 404.430 3.210 50 1 HGGF COC(=O)C1=CN(c2ccc(OC)cc2OC)C(N)=C(C#N)[C@@H]1c1ccccc1F 95566360 CEMSOSXVKOVQCD-FQEVSTJZSA-N 409.417 3.197 50 3 HGGF O=C(O)COc1cccc(C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 3914906 JFLGDEPZDPAZLY-INUTYEPCSA-N 423.469 3.294 50 1 HGGF CCO[C@H]1[C@H](C)n2c(=O)c3cc4ccccc4cc3c(=O)n2C[C@H]1Br 105504519 DQAFLNVGFSWHQX-JECHBYEQSA-N 403.276 3.060 50 1 HGGF COC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)N/C=C1\C=CC=CC1=O 104011505 FSCJMTRZBHMIJP-LQATUXICSA-N 423.340 3.223 50 3 HGGF COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([C@H](C)N=C=S)C2 36311359 XVYDBKXHAQVZDF-QDBUQNJUSA-N 424.566 3.407 50 1 HGGF CC(C)CN(NC(=O)c1cc(-c2cccs2)[nH]n1)c1nc(C#N)ncc1Cl 66259117 FVHRCLAQTYFCLY-UHFFFAOYSA-N 401.883 3.261 50 1 HGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(/C=C/N1CCOCC1)CCl 587547132 ZHCAAPVAFQTEFI-MVRCGGMCSA-N 401.846 3.177 50 1 HGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 587729305 GUVRQAUEKCLPSD-ZRNGKTOUSA-N 421.241 3.267 50 1 HGGF COc1cccc(-c2ccc(C(=O)N/N=C3\C(=O)N(C)c4ccccc43)c(C)n2)c1 653871729 UDYDPIXXBWHMAN-DAFNUICNSA-N 400.438 3.176 50 1 HGGF CCCCCCCC(=O)O[C@@H]1C2=C(C=O)[C@]34C[C@]3(CC2=CC1(C)C)C(=O)O[C@H]4O 2356720881 MIYIESSPGYJWFP-URHOCTSQSA-N 402.487 3.376 50 1 HGGF O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C/C=C/c1ccc(Br)cc1 6530106 XQAWEFHZLKKXEC-RCOWMYFQSA-N 412.287 3.094 50 1 HGGF C[C@@H]1CCCC[C@@H]1[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C\COCC(=O)O 100309328 JPMWVHYATGJOOX-MOELKIKGSA-N 400.943 3.382 50 1 HGGF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(CS(=O)(=O)c1ccccc1)O2 587408312 LUODVWNXGVPYLE-GOSISDBHSA-N 424.316 3.150 50 1 HGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 587737081 YBUNNSSYTWJRHB-ZRNGKTOUSA-N 421.241 3.267 50 1 HGGF C[C@]1(c2ccccc2)SC(NC(=O)C(Cl)Cl)=NN1C(=O)C(Cl)Cl 653775503 BLPHQUZRNZQAIE-CYBMUJFWSA-N 415.129 3.429 50 1 HGGF C/C=C(/C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1OC(C)=O)[C@@]1(C)C(C=O)=CCC[C@@H]1C 238748316 NSALWXIRBGWDKK-SDVSFICXSA-N 404.459 3.188 50 1 HGGF COC(=O)[C@H](Cl)[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587714645 AIQJHKMKAYVFRO-DCHUIVQRSA-N 400.622 3.363 50 1 HGGF NC(=O)[C@H](Cl)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587883063 UWDXMMZMYLXJIL-GOSISDBHSA-N 409.700 3.469 50 1 HGGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2[N+](=O)[O-])C1=O 1857545313 NUGDGCWFUWPHAC-INIZCTEOSA-N 417.462 3.495 50 1 HGGF O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NCCCCC1CCCCC1 96285253 YDMFQFGWICWKSM-UHFFFAOYSA-N 408.524 3.220 50 1 HGGF CC(C)(C)N(NC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)c1ccccc1Cl 103182234 WMMVFXUSYMACFO-UHFFFAOYSA-N 408.907 3.329 50 1 HGGF Cc1cc([C@@]2(CBr)NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccc1O 963034184 QSSFPFDVSXJSNI-RNODOKPDSA-N 401.304 3.392 50 1 HGGF COc1ccc2oc(=O)cc([C@@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c2c1 1857745117 XRKCRRDQDSHMID-LJQANCHMSA-N 414.373 3.126 50 1 HGGF C=C(C(=O)OC)[C@@H]1C[C@]2(OO)C(=C)[C@H](OC(=O)C(C)C)CC[C@@]2(C)C[C@H]1OC(C)=O 2356572308 XCXSKXOQGGFKAL-FBPWQFGJSA-N 424.490 3.210 50 1 HGGF CC(=O)O[C@@H]1C=C(C)[C@]2(C)CC[C@H](C(=O)O)[C@](C)(CCC(=CC=O)C(=O)O)[C@H]2C1 2356659904 XVTXYSXFTDXMFZ-XMHKDOOOSA-N 406.475 3.382 50 1 HGGF CC(C)N1N=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Cl)C1=O 587707419 VORVZGJPDGDZTF-OELKAKTESA-N 402.695 3.162 50 1 HGGF Cn1cnnc1SCC(=O)N/N=c1/scc(-c2ccccc2)n1-c1ccccc1 103238684 XRCAGCBELNOHMA-HIXSDJFHSA-N 422.539 3.059 50 1 HGGF C[C@H]1CCCC[C@H]1[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](Cl)[C@@H]1C/C=C/COCC(=O)O 169692590 JPMWVHYATGJOOX-WOVLVGCUSA-N 400.943 3.382 50 1 HGGF C[C@H]1CCCc2sc3nc(SCC(=O)NN)n(-c4cccc(F)c4)c(=O)c3c21 28353952 WNPQOHDQCDXJML-JTQLQIEISA-N 418.519 3.108 50 1 HGGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1cccs1 55805353 WIGPLOGQHVRHCO-LJQANCHMSA-N 412.540 3.120 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(cc1NC(=O)CCl)OCO3)O2 587370729 BJRXFLLTZNQRMQ-HXUWFJFHSA-N 402.834 3.364 50 1 HGGF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(NC=O)CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 2356866123 VMGMIKLPOIXKLA-GZZORMBGSA-N 415.018 3.221 50 1 HGGF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc2c1 586907871 OEEWVBCPRSDUBA-UHFFFAOYSA-N 415.199 3.480 50 1 HGGF CC(C)[C@H](NC(=O)CCl)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541454 BFMCCLTZMCHKKI-YYWHXJBOSA-N 403.862 3.492 50 1 HGGF COC(=O)[C@@]1(C)[C@H]2CC[C@]3(C)C(=C(C)C=O)C(=O)C[C@H]3[C@@]2(C)CC[C@H]1OC(C)=O 2356536618 ZQGPUDHBVNDQKG-ZNNMUCEXSA-N 404.503 3.418 50 1 HGGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]2(C)[C@@]1(O)C(=O)CCl 253697276 FCSHDIVRCWTZOX-MPRATOAOSA-N 410.913 3.142 50 1 HGGF CCOC(=O)[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587674629 YHUWPVZDSQBVEE-CLAHSXSESA-N 409.093 3.276 50 1 HGGF O=C(CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCC(O)CC1 49723033 IYNGOXCIQPJJPX-UHFFFAOYSA-N 405.535 3.377 50 1 HGGF COc1ccc(Cl)cc1C#Cc1cc(C)c(OCC(=O)NN)c(Br)c1 587900917 XEEBNYWZPBTCPX-UHFFFAOYSA-N 423.694 3.188 50 1 HGGF Cc1cc(=O)oc2cc(OCC(=O)NNC(=S)Nc3ccc(Cl)cc3)ccc12 15872043 IOFXZGQWDCHCFA-UHFFFAOYSA-N 417.874 3.151 50 1 HGGF NNC(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587116546 GWFHLVXBPKNTBX-UHFFFAOYSA-N 412.803 3.155 50 1 HGGF CCO[C@@H](CO)[C@@H](Oc1ccc(C=CC=O)cc1OC)c1ccc(O)c(OC)c1 2356517237 BSICIQGJYAQPRY-VXKWHMMOSA-N 402.443 3.139 50 1 HGGF CC(=O)NS(=O)(=O)c1cccc(-c2ccc(/C=C3\C(=O)C=C(O)C(C#N)=C3C)o2)c1 40567062 RIQSYWDRBXDOBI-MFOYZWKCSA-N 424.434 3.019 50 1 HGGF O=C(O)Cc1cccc(C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 299804960 AGZOJGNFCHGAFI-LFEMGIABSA-N 407.470 3.457 50 1 HGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(N)=O)co2)N1 587682162 BPDOWKWIEZIXKN-VPTHRUTESA-N 401.663 3.297 50 1 HGGF COc1ccccc1COc1ccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc1 653865333 ICHPWBKFSPZRGH-FSJBWODESA-N 408.410 3.155 50 1 HGGF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2C1 587032445 WGIWJGXFJLFTEI-UHFFFAOYSA-N 413.503 3.188 50 1 HGGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cnccn1 587537761 KALXESPZDXTGMU-APWZRJJASA-N 413.227 3.434 50 1 HGGF C=C1[C@H](CC)O[C@](O)(CCC[C@]2(OC)C[C@H](C)[C@@H](CC(=O)OC)OO2)[C@@H]1Cl 2356433137 YEUANVVXYVFBSK-YMQOMXHZSA-N 406.903 3.080 50 1 HGGF O=C(O)COc1cccc(C[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 100652154 JFLGDEPZDPAZLY-AZTBIFRGSA-N 423.469 3.294 50 1 HGGF CCCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Cl)C1=O 587326767 CTEHWALQRNDWIG-FBBABVLZSA-N 416.836 3.474 50 1 HGGF CC(C)CN(NC(=O)C1(c2ccccc2)CC1)c1nc(C#N)ncc1Br 58582605 IINAFGQWXUQIPU-UHFFFAOYSA-N 414.307 3.336 50 1 HGGF CCOC(=O)C(=C[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3)C(=O)OCC 103190909 GTWWRLLZIRZVAW-PNDXRJNNSA-N 424.490 3.044 50 1 HGGF COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H]([C@H](C)N=C=S)C2 96941723 XVYDBKXHAQVZDF-FJGUANJXSA-N 424.566 3.407 50 1 HGGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O 587413696 PCYHEMFHCUBYFJ-LIRRHRJNSA-N 403.228 3.431 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]1C(C=O)=C[C@@]1(O)CC(C)(C)C[C@@H]12 85635127 CYANGADGENNSLV-FPOSKFNGSA-N 400.471 3.264 50 1 HGGF endogenous,in-man CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)N=C=S)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 169728601 WTVMVUJOBOGEOT-QXXGFBJHSA-N 410.539 3.104 50 1 HGGF C[C@@H]1CC[C@H]2C(CN3CCOCC3)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103184967 OAPRVAMQWIEJRV-SHXRYHTKSA-N 419.440 3.381 50 1 HGGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2CNc2c3cccc2[N+](=O)[O-])c(OC)c1 1772639543 JRBIFTBHNFKWPL-SFHVURJKSA-N 406.398 3.256 50 1 HGGF Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 72124482 BHDJMQFABDZPRW-OAQYLSRUSA-N 416.481 3.195 50 1 HGGF NNC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587024916 CJPWKGCRBKSXRL-ZMYBRWDISA-N 423.542 3.303 50 1 HGGF COC(=O)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324360 YARTVPKHGCAPRT-MAUKXSAKSA-N 409.207 3.197 50 1 HGGF N#Cc1ccccc1COc1cccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)c1 653893398 ANFJOPJQHMKWKX-WYMPLXKRSA-N 403.394 3.018 50 1 HGGF O=C(Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2)NNC(=S)S 72121451 MFIOEGZMANTECR-UHFFFAOYSA-N 405.570 3.257 50 1 HGGF CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)n3cnc4ccccc43)cc2)C(=O)O1 40743043 IUJRQLTWQYWZJO-VBIXMBBUSA-N 401.426 3.019 50 1 HGGF CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)/C(O)=C(\C#N)c1ccncc1 100013779 RCONQDLVHHNCCF-JDXDHHQGSA-N 420.513 3.153 50 1 HGGF O=C(O)COc1ccccc1C[C@@H]1[C@@H](/C=N/NC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 195218357 CQHSEENDVCFMSH-LKIAFCTJSA-N 423.469 3.294 50 1 HGGF COC(=O)[C@]1([C@@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 587671561 TYSYEEZOONIARF-WFEFGEHDSA-N 409.093 3.274 50 1 HGGF C=C1C(=O)O[C@@H]2[C@H]1C[C@@H]1O[C@@]1(C)CC[C@@H](OO)C(=C)CCC=C(C)[C@@H]2OC(C)=O 2356462097 GFWUCUVAEYBQOX-JCCSFOSJSA-N 406.475 3.498 50 1 HGGF Cc1ncccc1[C@@]1(CBr)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963222401 GMKQTQKELRHEIZ-AZUAARDMSA-N 412.287 3.176 50 1 HGGF CC(C)(N)CNC(=O)OCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49695412 HXNKSDZWNHKYAT-UHFFFAOYSA-N 408.539 3.467 50 1 HGGF COc1cc(CCC(=O)NCCCSSCCN(C)C)cc(OC)c1OC 618008679 JMKMIZWNXCLJPV-UHFFFAOYSA-N 416.609 3.094 50 1 HGGF O=C(N/N=C/c1c(O)cc(O)cc1O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 653758721 UGPLWJOCUKIVDR-WYMPLXKRSA-N 416.389 3.341 50 1 HGGF N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(CCCC2)[C@H]1c1ccccc1O 102130298 AKQWJZFQFBLLGL-NRFANRHFSA-N 422.510 3.165 50 1 HGGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689444 SLLPOIIBAJOIEE-UQNYDYMRSA-N 418.690 3.077 50 1 HGGF CNC(=O)N(C)/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 96169117 WXDWSQSJAGZLBV-LGJNPRDNSA-N 405.437 3.003 50 1 HGGF CCOC(=O)[C@]1([C@@H](Cl)C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587687411 GOYMLWOVVRUOAR-QZOJXLDYSA-N 406.679 3.077 50 1 HGGF Cc1cc(C(=O)NCCSSCCN(C)C)cc2c(Br)n[nH]c12 618017088 FFBPOLDTIDOGKO-UHFFFAOYSA-N 417.398 3.307 50 1 HGGF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)NN)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277135 PMWXCASHDPHMOJ-LPMFXHHGSA-N 404.430 3.210 50 1 HGGF CCOC(=O)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539927 YRHAGFBKISTERQ-RDTXWAMCSA-N 407.216 3.051 50 1 HGGF Cc1oc(C(N)=O)cc1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541563 CHBJQWXPXVYENE-UTKZUKDTSA-N 413.813 3.488 50 1 HGGF C[C@H]1CCCC[C@@H]1[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C/C=C\COCC(=O)O 33821987 JPMWVHYATGJOOX-WIVYUKLJSA-N 400.943 3.382 50 1 HGGF in-vitro CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc3ccccc3[nH]2)cc1 1857754196 SLJGYDFITBHRRU-UHFFFAOYSA-N 410.499 3.006 50 1 HGGF COc1cc([C@@H]2[C@@H]3CN(C)CCC3=C(C#N)C(=N)C2(C#N)C#N)ccc1OC(C)C 169688749 YZYIVIQVDFIHJC-WIYYLYMNSA-N 403.486 3.405 50 1 HGGF COC1=C/C(=C/NNC(=O)c2cccc(NC(=O)c3ccccc3C)c2)C=CC1=O 15880053 OXJQNCIFOIVXAS-JQIJEIRASA-N 403.438 3.035 50 3 HGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 587729302 GUVRQAUEKCLPSD-AYLIAGHASA-N 421.241 3.267 50 1 HGGF CC(C)N1N=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Cl)C1=O 587707421 VORVZGJPDGDZTF-WKFLNTIRSA-N 402.695 3.162 50 1 HGGF CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321205 CJXVBASXJCUHJQ-LRQRDZAKSA-N 420.820 3.389 50 1 HGGF O=C1CSC(=NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)N1 1772624305 JPZFQXMCJHSWBU-UHFFFAOYSA-N 401.451 3.247 50 1 HGGF O=C(NNC(=O)c1cc(-c2cccnc2)ccn1)Nc1ccc(CN2CCCC2)cc1 1772651190 XAXNNIRMCJGHQI-UHFFFAOYSA-N 416.485 3.206 50 1 HGGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(N1)c1ccccc1C[C@@H]2Br 963224302 BRIQLFMKUGIJLB-ZJOUEHCJSA-N 409.283 3.397 50 1 HGGF Cc1ccc(S(=O)(=O)N(C)NP(=O)(c2ccccc2)c2ccccc2)cc1 44221644 DYSXRPZZIHXSJW-UHFFFAOYSA-N 400.440 3.049 50 1 HGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(F)c(CCNC(C)=O)c1)[C@@H](C2)C3=O 587424946 YMTUNHNXPXOFIB-JTSKRJEESA-N 417.864 3.395 50 1 HGGF C/C(=N\NC(=O)c1ccncc1)c1ccccc1OC(=O)/C=C/c1ccc(O)cc1O 473154633 JQXCSMVKBUFDOV-DGCPBWIHSA-N 417.421 3.266 50 1 HGGF CN(C)CCSSCCNC(=O)C(C)(C)N(C)C(=O)OCc1ccccc1 618008821 KQNNFFMOSSCHIP-UHFFFAOYSA-N 413.609 3.093 50 1 HGGF CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337242 NRPPFVSXXLPRKI-HRKNJWBZSA-N 424.428 3.161 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1ccc(S(C)(=O)=O)cc1)O2 587408075 DQNWSVARUIDHTR-LJQANCHMSA-N 402.497 3.056 50 1 HGGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1C 963015906 AXNYKCILBXQDFI-JLCFBVMHSA-N 415.921 3.344 50 1 HGGF COc1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(F)c1 963551340 NDTBMGQVILJBGX-QFBILLFUSA-N 424.266 3.086 50 1 HGGF C[C@@H](/C=C\[C@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)C[C@H]3[C@@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]12 1857566803 ULZUWKJCVZFDGB-YOHSJDIBSA-N 418.574 3.218 50 1 HGGF C#CC=CC[C@H](Br)[C@]1(O)C[C@@H]2O[C@H](CC)[C@@H](Br)C[C@H]2O1 2356306644 PCYNQLXLLJWWRG-RHTUOURWSA-N 408.130 3.138 50 1 HGGF N[P@](=O)(OCCc1noc2ccc([N+](=O)[O-])cc12)N(CCCl)CCCl 27621174 DUFAVCOHTHNEBG-VWLOTQADSA-N 411.182 3.142 50 1 HGGF O=C(O)Cc1cccc(C[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 1492706 AGZOJGNFCHGAFI-WSXMNFTMSA-N 407.470 3.457 50 1 HGGF CCOc1ccc2nc(NC(=O)[C@@H](Cc3ccco3)NC(=O)CCl)sc2c1 35932883 VRHADSMVIGOMEM-CQSZACIVSA-N 407.879 3.193 50 1 HGGF CNC(=O)c1cc([C@]2(CCl)NC3(CC3)Cc3ccc(Br)cc32)cn1C 961617161 UCOZXGCCNWRESK-IBGZPJMESA-N 422.754 3.308 50 1 HGGF CC(=O)N/N=C1\NC(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 5822688 PBJGIBOVMXWWTJ-ALOMXMGUSA-N 415.534 3.057 50 1 HGGF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2CC[C@H]1Br 963493815 XHMWWRJOTZXXJN-HQRMLTQVSA-N 402.288 3.253 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(NS(C)(=O)=O)cc1)([C@H](C)Cl)O2 587410354 RAXMWHLVRYUJDI-BUXKBTBVSA-N 408.907 3.437 50 1 HGGF COc1nc2ccc(Cl)cc2cc1[C@@H]1[C@@H](Cl)C(=O)N1NC(=O)c1ccncc1 1772653979 MXOFHJNLFZSADB-HZPDHXFCSA-N 417.252 3.128 50 1 HGGF O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(OC(F)(F)F)c1 1857571259 GRFWYONCKHIYDB-UHFFFAOYSA-N 410.373 3.362 50 1 HGGF COCCOC(=O)/C(C#N)=C(/C)NCc1ccc(OCc2cnc(Cl)s2)cc1 98083001 YMUIUOAYHSRVAK-LGMDPLHJSA-N 421.906 3.452 50 1 HGGF OC[C@H](O)[C@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586893368 XNTQGLSMHZIRRG-CBAPKCEASA-N 413.162 3.369 50 1 HGGF NC1CCN(C(=O)O[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 621477309 BQFXFOCVUGSCHO-OEJMLONDSA-N 406.523 3.316 50 1 HGGF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1sc(=O)n(CCCl)c1Cl 963609242 NEMWNNSZRRWSRB-XPTSAGLGSA-N 403.331 3.443 50 1 HGGF COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](Cl)c1ccc(Cl)cc1 3851752 RZRWMHPXUQWMQU-HOTGVXAUSA-N 402.299 3.448 50 1 HGGF biogenic O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1 15989407 FZDVRBREMLZSLX-UUYOSTAYSA-N 406.833 3.404 50 1 HGGF O=C(O)Cc1cccc(C[C@@H]2[C@@H]3CC[C@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 169337215 AGZOJGNFCHGAFI-DHLHQIQISA-N 407.470 3.457 50 1 HGGF O=C(NNc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1)c1ccccc1 1772593469 LPMYCELHAVRVHQ-UHFFFAOYSA-N 422.448 3.328 50 1 HGGF COc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1OC 95809775 HBLIUIUILQBGCU-HZHRSRAPSA-N 413.474 3.449 50 1 HGGF COc1cc(Cl)c2c(c1Cl)/C(=N/NC(=O)[C@H](C)c1ccc(O)cc1)C(=O)N2 72178729 KDRXFISVORIOMT-MRVPVSSYSA-N 408.241 3.284 50 1 HGGF COc1cc(-c2n[nH]c3ccc(/C=C(/C#N)n4cncn4)cc23)cc(OC)c1OC 263620674 KVQZHZNPPJMLLH-UUASQNMZSA-N 402.414 3.369 50 1 HGGF in-vitro CN1CCc2cnn(C)c2[C@]1(CBr)c1ccc(OCC(F)(F)F)cc1 963955432 PUSDRAXZRBGLAS-INIZCTEOSA-N 418.257 3.488 50 1 HGGF C[C@H](C=C[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]12 2356347543 ULZUWKJCVZFDGB-BWHZJNPOSA-N 418.574 3.218 50 1 HGGF Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2c1 72124468 NPXYCDKYQFAXNE-JOCHJYFZSA-N 414.465 3.304 50 1 HGGF C=C(C(=O)OC)[C@H]1C[C@@]2(OO)C(=C)[C@@H](OC(=O)C(C)C)CC[C@]2(C)C[C@H]1OC(C)=O 238775303 XCXSKXOQGGFKAL-PEWUMXJESA-N 424.490 3.210 50 1 HGGF C[C@@]1(c2ccccc2)SC(NC(=O)C(Cl)Cl)=NN1C(=O)C(Cl)Cl 653775504 BLPHQUZRNZQAIE-ZDUSSCGKSA-N 415.129 3.429 50 1 HGGF CO[C@]12C=C[C@]3(C[C@H]1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 100660512 WTVMVUJOBOGEOT-BHBNGSFGSA-N 410.539 3.104 50 1 HGGF CCN(C)C(=O)Oc1cccc(CCNC(=O)CSCCCCN=C=S)c1 1857584479 SQOLPFRLMWYMER-UHFFFAOYSA-N 409.577 3.412 50 1 HGGF C/C(=N\NC(=O)/C(C#N)=C/c1ccccc1Cl)c1c(O)c2ccc(O)cc2oc1=O 1857567793 XBZZXXVRFRTEQI-PQNKEMATSA-N 423.812 3.305 50 1 HGGF COC(=O)[C@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=O)[C@]3(C)CC[C@@H]12 2356536616 ZQGPUDHBVNDQKG-HVJAJDJMSA-N 404.503 3.418 50 1 HGGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1ccc([N+](=O)[O-])cc1 1772583829 NGWVKMSMEADVFG-SFHVURJKSA-N 410.393 3.492 50 1 HGGF O=C(NN=c1cncc[nH]1)c1ccccc1-n1ccc2cc(Br)ccc21 1857635521 TUROPERFRCORAP-UHFFFAOYSA-N 408.259 3.362 50 1 HGGF COC(=O)C1=CN(c2ccc(OC)cc2OC)C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 95569689 RGUVPVAJFMWLCH-NRFANRHFSA-N 421.453 3.067 50 3 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)C[C@H]1Br)O2 587372370 KTKNHQOOTGTPFA-KDOFPFPSSA-N 411.296 3.295 50 1 HGGF Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 587747745 RPYIAIZUNSVIEN-PRWKNARSSA-N 417.278 3.436 50 1 HGGF COc1ccc2c(c1OC)[C@@]1(C(C=O)=C(N)Oc3ccc(Cl)cc31)N(C)[C@H](C)C2 962617271 CAWPHSGOSIEULC-VERVWZFWSA-N 414.889 3.239 50 1 HGGF CN(C)CCSSCCCNC(=O)COc1ccc(Br)cc1 618012558 PCZJBFIJJAFLET-UHFFFAOYSA-N 407.399 3.277 50 1 HGGF CC(C)[C@]1(c2ccc(B(O)O)cc2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963197956 UMZFJBPDRBIHKJ-UIOOFZCWSA-N 410.326 3.389 50 1 HGGF CC(C)[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCCCSSCCN(C)C 618008880 NDWRHTZEZGLSDM-SFHVURJKSA-N 407.646 3.375 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C1=C(C=O)[C@H](O)[C@H]1CC(C)(C)C[C@@H]12 33802268 ZXLVDZRNPKMJND-KFWBCRDTSA-N 400.471 3.264 50 1 HGGF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(N)=O)co2)N1 587684508 KPWDUOBFOIUMTR-VPTHRUTESA-N 401.663 3.297 50 1 HGGF COC(=O)CC[C@@]1(CCl)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963193337 ZVVZFYIIHQGXJA-DOMZBBRYSA-N 414.207 3.345 50 1 HGGF CCCCCCCCSS[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO 49872363 AVSWNXLIYSBIJV-OWCLPIDISA-N 402.582 3.235 50 1 HGGF N#C/C(=C\c1cn(CCN2CCOCC2)c2ccccc12)S(=O)(=O)c1ccccc1 72124565 SRTMLRVZSLOOCF-LTGZKZEYSA-N 421.522 3.312 50 1 HGGF COC(=O)[C@]1([C@H](Cl)C(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587689348 RXYDSJBMRHWRSE-CPQOQLRJSA-N 418.690 3.077 50 1 HGGF O=C(O)CC[C@H](CCCSSCCC[C@@H](CCC(=O)O)C(=O)O)C(=O)O 13519085 FWXRWGOZASTQKI-RYUDHWBXSA-N 410.510 3.059 50 1 HGGF CCOP(=O)(OCC)[C@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1F 103215394 BMVLKNNDVPWDGE-DLEKYWELSA-N 401.400 3.263 50 1 HGGF O=C(N/N=C\c1ccncc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 100513942 KGKQERXOCXSQFN-XKZIYDEJSA-N 414.874 3.300 50 1 HGGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1cccs1 55805354 WIGPLOGQHVRHCO-IBGZPJMESA-N 412.540 3.120 50 1 HGGF COC(=O)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324361 YARTVPKHGCAPRT-QAPCUYQASA-N 409.207 3.197 50 1 HGGF COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587418991 VSZFLHOIDPOPJA-MRQNUOQRSA-N 421.287 3.466 50 1 HGGF Cc1oc(C(N)=O)cc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541553 CHBJQWXPXVYENE-DYESRHJHSA-N 413.813 3.488 50 1 HGGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CBr)c1ccc(Cl)nn1 963608395 KZHCLRYFJZTMMN-BMLIUANNSA-N 412.715 3.320 50 1 HGGF CCOC(=O)[C@@H](F)Oc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1C 1857542365 QKDJIJQJKUDLKI-YRJNPLERSA-N 422.840 3.415 50 1 HGGF CC(C)[C@H](NC(=O)CCl)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541453 BFMCCLTZMCHKKI-QMMLZNLJSA-N 403.862 3.492 50 1 HGGF C[C@@H]1CCCc2sc3nc(SCC(=O)NN)n(-c4cccc(F)c4)c(=O)c3c21 28353944 WNPQOHDQCDXJML-SNVBAGLBSA-N 418.519 3.108 50 1 HGGF C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)C(C)=CCCC(C)=C[C@@H](OO)C[C@@]3(C)O[C@H]3C[C@H]12 2356613462 MPQMGJDSJYROKQ-DOEDBZELSA-N 406.475 3.498 50 1 HGGF CCOC(=O)[C@@H](NC(=O)OCc1ccccc1)c1cccc(NC(=O)CCl)c1 1857766976 LBRRSYVBFHFOMY-SFHVURJKSA-N 404.850 3.395 50 1 HGGF CC=CC=CC=CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C(=O)O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356558396 YOWISNGQSRPIPP-BAJOOJPFSA-N 402.487 3.374 50 1 HGGF CCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1N1CCOCC1 13491829 VHCHHBWRTJDFKN-SFHVURJKSA-N 414.893 3.425 50 1 HGGF N#CC(C#N)=C1N(CCCCN2CCCCC2)CCN1CCCCN1CCCCC1 40614173 CZGMBUJTYUNBDO-UHFFFAOYSA-N 412.626 3.395 50 1 HGGF O=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1ccc(F)cc1 103276478 BFTLCCGJLQTDAF-WSDLNYQXSA-N 406.446 3.197 50 1 HGGF NNC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587024914 CJPWKGCRBKSXRL-JVPBZIDWSA-N 423.542 3.303 50 1 HGGF Cc1ccc([C@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)cc1 55805342 ADLHMCWOHOSXJY-JOCHJYFZSA-N 420.538 3.367 50 1 HGGF O=C/C=C1\O[C@@H]2CC(=O)N2[C@@]1(C/C=C/c1ccccc1)C(=O)OCc1ccccc1 1772592216 KBUJSCWFZMYQLR-YSPPDFRYSA-N 403.434 3.244 50 1 HGGF COc1ccc(/C=N/NC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)c(F)c1 73138947 OWTWLFPAVNDBHD-ZNLRHDTNSA-N 407.323 3.459 50 1 HGGF C=CCN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@]2(OC)C=C[C@@]3(C[C@@H]2N=C=S)[C@@H]1C5 100687004 HOTOKEVVOSQFDG-FALLCTENSA-N 408.523 3.024 50 1 HGGF CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321204 CJXVBASXJCUHJQ-LKUPVBHCSA-N 420.820 3.389 50 1 HGGF CCOC(=O)[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673464 MYLRAQIIOSAOFE-XLKFXECMSA-N 409.093 3.276 50 1 HGGF O=[n+]1c2cc(CBr)c(CBr)cc2n(O)c2cccc(O)c21 73351218 YBFUMRCFYLVQFS-UHFFFAOYSA-O 415.061 3.442 50 1 HGGF NCCSSCCCNC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 618007653 JQUQWVUKOFNECI-UHFFFAOYSA-N 415.382 3.299 50 1 HGGF CCCCCCCC(=O)O[C@@H]1C2=C(C=O)[C@]34C[C@]3(CC2=CC1(C)C)C(=O)O[C@@H]4O 2356720879 MIYIESSPGYJWFP-IYSOMAHNSA-N 402.487 3.376 50 1 HGGF COc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143352 CZZHMIOTGSLVNF-UHFFFAOYSA-N 420.400 3.346 50 1 HGGF CCN(c1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1)S(C)(=O)=O 587408527 HFYZEKKACCCNQP-FQEVSTJZSA-N 422.934 3.463 50 1 HGGF CCc1cc(-c2[nH]nc(C)c2-c2nc3ccccc3s2)c(O)cc1OCC(=O)NN 17885692 MMKDJFDQODYLIS-UHFFFAOYSA-N 423.498 3.299 50 1 HGGF COc1cccc(COc2cccc(/C=N/NC(=O)c3cc(O)c(O)c(O)c3)c2)c1 653899190 AILOVLIRFJZYER-FSJBWODESA-N 408.410 3.155 50 1 HGGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](C(=O)Cl)(c2c[nH]c3ccccc23)N1 963232432 NNWSEGJKFQASQB-SIKLNZKXSA-N 405.841 3.324 50 1 HGGF COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)[C@@H]1c1cccc(OC)c1OC 95601600 QYRWRBPUEJWMBA-IBGZPJMESA-N 409.417 3.197 50 3 HGGF CN(CCCl)[C@@H]1CC[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 25993171 MSUIGQZUZUIMHT-QHHVFILISA-N 402.966 3.381 50 1 HGGF COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587418989 VSZFLHOIDPOPJA-CBJPANSHSA-N 421.287 3.466 50 1 HGGF CC(C)(C)OC(=O)N[C@@H](CCCCCB(O)O)C(=O)Nc1nc2ccccc2s1 195147897 XWMNPKKMRJLGII-AWEZNQCLSA-N 421.328 3.161 50 1 HGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CCNC(C)=O)s1)[C@@H](C2)C3=O 587448757 BZABCXCTAWATAI-MGPUTAFESA-N 405.903 3.317 50 1 HGGF CCCCCCc1[nH]nc2c1[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857648324 HVFLPPJKEKZOJO-MRXNPFEDSA-N 413.434 3.373 50 1 HGGF COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OO)c(OO)cc2C1 44431126 UVBUFGHOXWMGCG-UHFFFAOYSA-N 416.474 3.276 50 1 HGGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](Cl)C[C@@]21C 118933355 VMBNVFFKWHQNCC-JZYPGELDSA-N 420.933 3.375 50 1 HGGF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2CC[C@@H]1Br 963493817 XHMWWRJOTZXXJN-QRFRQXIXSA-N 402.288 3.253 50 1 HGGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(O)c(C=O)c1)[C@@H](C2)C3=O 587414445 MHQJRHJPKQIVNG-LIRRHRJNSA-N 403.228 3.251 50 1 HGGF COC(=O)[C@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538267 OMLWUGBYKGSVTN-FWVNDXEPSA-N 407.216 3.049 50 1 HGGF CC(C)[C@@H](C(=O)N(C)CCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618010495 YENLNIKQKGEBFH-HNNXBMFYSA-N 407.646 3.279 50 1 HGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CBr)(c2c(F)cccc2F)N1 962910454 XSQUKKLFHMPOTH-SUMWQHHRSA-N 400.194 3.341 50 1 HGGF CCOC(=O)[C@@]1(CCBr)CCC[C@]12NCCc1c(C(=O)O)cccc12 963119456 FEJLUUIMKMUSTR-RBUKOAKNSA-N 410.308 3.244 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@H]3C=C(C=O)[C@]12O 6069950 SJZRUQOYQZRISL-IDOJSZHESA-N 400.471 3.264 50 1 HGGF O=C1OC(=O)c2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)ccc21 586907068 JRLPHWVZKNXSNK-UHFFFAOYSA-N 423.020 3.461 50 1 HGGF COOc1cc2occ(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2c(OC)c1OC 70451076 XRMWLNDQONOUQH-UHFFFAOYSA-N 418.398 3.443 50 1 HGGF biogenic,in-vitro C[C@@H]1CC[C@H]2C(CN3CCOCC3)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103184969 OAPRVAMQWIEJRV-AOACOCRJSA-N 419.440 3.381 50 1 HGGF COc1cc2c3c(c1)O[C@](CBr)([C@@H]1COc4ccccc4O1)[C@@H](C2)C3=O 587414839 XXJDOQBEUMOXPH-ROOHIHILSA-N 417.255 3.416 50 1 HGGF Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 587747053 OWMNUWAMFMORHQ-GIPWTMENSA-N 417.278 3.436 50 1 HGGF C[C@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OCc1ccccc1 618008653 JAOYLNOPTZCTRB-MRXNPFEDSA-N 413.609 3.093 50 1 HGGF O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccc(CN2CCC[C@@H](O)C2)cc1 1857748995 HMHOAUVQRFOYLA-DZQSVEARSA-N 406.530 3.007 50 1 HGGF O=C(O[C@H]1CS[S@@](=O)C1)c1cc(Br)ccc1Br 96283329 FNDJTUACUTXRST-SKLCBMLGSA-N 400.113 3.148 50 1 HGGF CC=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1OC(C)=O)[C@]1(C)C(C=O)=CCC[C@H]1C 2356474340 NSALWXIRBGWDKK-YDKIPTJISA-N 404.459 3.188 50 1 HGGF COc1cc2c3c(c1)O[C@](c1ccc(NS(C)(=O)=O)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587451755 ZQDOYXSZCDVZKM-QUGJLEDBSA-N 421.902 3.337 50 1 HGGF Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 587747054 OWMNUWAMFMORHQ-PRWKNARSSA-N 417.278 3.436 50 1 HGGF Cn1c(C(=O)N/N=C/c2ccccc2O)cc(Br)c1Br 169702858 LPOLKMOCFMWMSB-FRKPEAEDSA-N 401.058 3.020 50 1 HGGF C#CCN1C(=O)[C@]2(C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)c2ccccc21 53295184 BQWHAXHYUKGNOJ-RUZDIDTESA-N 417.428 3.044 50 1 HGGF COc1cc2c3c(c1)O[C@@](CCl)(CS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O 587447690 CYNKORRMGIOCRY-JXFKEZNVSA-N 406.887 3.203 50 1 HGGF O=C(N/N=C/c1cc(O)ccc1O)c1nc(-c2cc3ccccc3oc2=O)cs1 1857546309 QYFUVFAHHDLELB-ZVBGSRNCSA-N 407.407 3.092 50 1 HGGF COc1ccc([C@]2([C@@H](C)Cl)NCCc3ccc(C(=O)N(C)C)cc32)c(OC)c1 962923954 MODNMSAALVUFHN-PEBXRYMYSA-N 402.922 3.422 50 1 HGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]12 2356655734 KGBITPLFAPVFHQ-FYQPLNBISA-N 418.486 3.085 50 1 HGGF OC[C@@H](O)[C@@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586893373 XNTQGLSMHZIRRG-VXNVDRBHSA-N 413.162 3.369 50 1 HGGF COC(=O)[C@]1([C@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538266 OMLWUGBYKGSVTN-DGVXXNCNSA-N 407.216 3.049 50 1 HGGF Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)N/N=C\c1ccccc1 33333545 UFWCZVMMSANVKQ-UNOMPAQXSA-N 400.485 3.016 50 1 HGGF O=S(=O)(c1ccccc1)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 44146321 ZLUIZLWNNWHJBY-UHFFFAOYSA-N 421.515 3.230 50 1 HGGF COC(=O)[C@H](Cl)[C@@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587721367 POWDICKWAPTNPK-YTODKYKMSA-N 400.622 3.363 50 1 HGGF O=C(N/N=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccccc1O 95809727 DQINXDCNRSFSAS-OEAKJJBVSA-N 419.462 3.348 50 1 HGGF NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1Cc1ccccc1 28345587 SFWYBHKBALJPQM-UHFFFAOYSA-N 422.535 3.255 50 1 HGGF N[C@H](Cc1nc2cc(N(CCCl)CCCl)ccc2n1-c1ccccc1)C(=O)O 28539542 NMSSNIMMZNQSNV-MRXNPFEDSA-N 421.328 3.264 50 1 HGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(N)=O)co2)N1 587684510 KPWDUOBFOIUMTR-ZKANADHPSA-N 401.663 3.297 50 1 HGGF CC1(C)OC[C@H](COCC2=CC=C(COC[C@H]3COC(C)(C)O3)SS2)O1 5963756 ASOYTLREHSGEPA-KBPBESRZSA-N 404.550 3.485 50 1 HGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N2CCOCC2)(CCl)N1 587686338 CRDRQNHUGSGKFC-MJDZOSPASA-N 403.723 3.402 50 1 HGGF CNC(=O)c1cc([C@@]2(CCl)NC3(CC3)Cc3ccc(Br)cc32)cn1C 961617169 UCOZXGCCNWRESK-LJQANCHMSA-N 422.754 3.308 50 1 HGGF CN1C(=O)C[C@@H]2CN[C@](CCl)(c3ccc4c(c3)NC(=O)CS4)c3cccc1c32 963015900 AVHJBWSKOSMOHJ-XUSGNXJCSA-N 413.930 3.267 50 1 HGGF O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccc(CN2CCC[C@@H](O)C2)cc1 1857744778 YFNXMXTXMLFSAL-OTZYPNAKSA-N 420.557 3.398 50 1 HGGF C=C(C=O)[C@H](COC(C)=O)C(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1 213564637 HXCSKFLKZJKRES-KRWDZBQOSA-N 400.427 3.181 50 1 HGGF CC(C)C[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O 1857553419 VNEXTJNXTBBNAH-VXKWHMMOSA-N 424.350 3.041 50 1 HGGF CC(=O)Nc1cc(/C=C\C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)n(C)n1 5582722 CWQIJVNYJRUBQW-DANTVBBOSA-N 423.904 3.496 50 1 HGGF O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1cc(Cl)cc(Cl)c1O 103232040 LDUAGSMDOPJGEE-IFRROFPPSA-N 424.269 3.386 50 1 HGGF CC(C)[C@H](NC(=O)CCl)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541451 BFMCCLTZMCHKKI-DZFGPLHGSA-N 403.862 3.492 50 1 HGGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccn1 40447654 UZXPDXUYCGIHSQ-UOFXHNCJSA-N 424.482 3.092 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@H]1[C@@H](C)N=C=S)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1C)[C@H]2O5 195509290 WTVMVUJOBOGEOT-UDUDHBAISA-N 410.539 3.104 50 1 HGGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(C(=O)O)c1)[C@@H](C2)C3=O 587412853 CXQOTTSXHMTEQW-IFXJQAMLSA-N 403.228 3.431 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(S(C)(=O)=O)c1)O2 587411406 ZNZLLXQQQCMGOP-GOSISDBHSA-N 424.316 3.236 50 1 HGGF CN(C)CCSSCCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 618009207 SVHVDGUGIVQPRU-MRXNPFEDSA-N 413.609 3.312 50 1 HGGF Cc1cccc2c1[C@](CCl)(c1cnon1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841254 KLOPNQPNBPSWIP-VLIAUNLRSA-N 421.881 3.497 50 1 HGGF O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1ccc[nH]1 28226705 DUQYQSMTNPRKGF-YSURURNPSA-N 419.316 3.289 50 1 HGGF CCOC(=O)C1=C(C)NC(/C=C/C#N)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 49783982 XJRORDHAVMQOCP-HKMNZKMDSA-N 411.414 3.016 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(C)(=O)=O)cc1)O2 587409564 MMALXGJSSAJQHV-GOSISDBHSA-N 424.316 3.236 50 1 HGGF CCOc1ccc(/C=N\NC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1 33335417 FSJVRGKMXHOSLS-UKWGHVSLSA-N 417.263 3.450 50 1 HGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N2CCOCC2)(CCl)N1 587685792 BAPJCIAVISJXAS-ILNXPHHBSA-N 403.723 3.402 50 1 HGGF COc1cc(C)ccc1[C@]1(CBr)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963508671 KUBQRMYVGSNSSQ-YWZLYKJASA-N 420.303 3.255 50 1 HGGF CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCl)cc1 1772644238 DYOVSBHCUXZEBF-KCLUMXDGSA-N 424.994 3.382 50 1 HGGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccncn1 587537421 FGKRDFGWCUOCLP-VQIMIIECSA-N 413.227 3.434 50 1 HGGF C=C1[C@H](CC)O[C@](O)(CCC[C@]2(OC)C[C@H](C)[C@@H](CC(=O)OC)OO2)[C@H]1Cl 2356433135 YEUANVVXYVFBSK-RDJPOBJMSA-N 406.903 3.080 50 1 HGGF COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@@]42C=C[C@@]1(OC)[C@@H]([C@H](C)N=C=S)C2 100660535 XVYDBKXHAQVZDF-FXINTDRRSA-N 424.566 3.407 50 1 HGGF N#CSCCCN1C(=O)C(=O)c2cc(Br)cc(Br)c21 72126140 LPAOQUJEXBGMLM-UHFFFAOYSA-N 404.083 3.345 50 1 HGGF CC(C)[C@H](C(=O)N(C)CCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618010503 YENLNIKQKGEBFH-OAHLLOKOSA-N 407.646 3.279 50 1 HGGF N#Cc1cccc(COc2cccc(/C=N/NC(=O)c3cc(O)c(O)c(O)c3)c2)c1 653899247 WYUCKYVJIKAOKY-WYMPLXKRSA-N 403.394 3.018 50 1 HGGF O=C1OC(=O)[C@@H]2[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])C=C(c1ccco1)N2c1ccncc1 299816503 DFISPJSMZMAQTE-YSSFQJQWSA-N 417.377 3.296 50 1 HGGF COc1ccc(Cl)cc1C#Cc1c(C)nn(Cc2ccc(C(=O)NN)cc2)c1C 587902698 MLAIWJLZQAHPKM-UHFFFAOYSA-N 408.889 3.214 50 1 HGGF COc1cc2c3c(c1)O[C@@](CCl)(c1c[nH]c(C(=O)N4CCCC4)c1)[C@@H](C2)C3=O 587422547 QMOIJGJYHQDUHB-BTYIYWSLSA-N 400.862 3.141 50 1 HGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N2CCOCC2)(CCl)N1 587685793 BAPJCIAVISJXAS-QJMJGSSXSA-N 403.723 3.402 50 1 HGGF O=C(N/N=C1\C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21)c1ccccc1O 35242038 WAPCZKVDZFVLKA-KMYAOZERSA-N 406.394 3.167 50 1 HGGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]2(C)[C@@]1(O)C(=O)CCl 253697286 FCSHDIVRCWTZOX-PFNJXJNGSA-N 410.913 3.142 50 1 HGGF COC(=O)/C=C(\CC[C@@H]1C(C=O)=C[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O 238743579 JBYWUCWGYTVZKN-GOYAGTIXSA-N 406.519 3.378 50 1 HGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CBr)(c2cccc(F)c2F)N1 962893957 GOEFMNSFOYQKJN-YOEHRIQHSA-N 400.194 3.341 50 1 HGGF COc1cc2c3c(c1)O[C@](CCl)(CS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O 587447691 CYNKORRMGIOCRY-OXJNMPFZSA-N 406.887 3.203 50 1 HGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cnccn1 587537764 KALXESPZDXTGMU-QFBILLFUSA-N 413.227 3.434 50 1 HGGF CCO/C(O)=C1\C(C[S@](=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccn1 40685260 WZRYNQXSXVHJKP-LXMTXIFASA-N 408.483 3.426 50 1 HGGF O=C(NCc1cn(Cc2cc(=O)[nH]c3ccccc23)nn1)Nc1cccc(CCl)c1 96908813 PEDSJHACZYVEDI-UHFFFAOYSA-N 422.876 3.228 50 1 HGGF O=C(O)Cc1ccc(C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)cc1 299805112 VTJKWCBVZXGWSP-LFEMGIABSA-N 407.470 3.457 50 1 HGGF Cc1cccc(Nc2nc(NNC(=O)c3ccncc3)nc(Nc3ccccn3)n2)c1 103218699 NPRZXSCXWSKADW-UHFFFAOYSA-N 413.445 3.214 50 1 HGGF Nc1scc2c(C(=O)N/N=C/c3ccc(Cl)cc3)nn(-c3ccccc3)c(=O)c12 8448321 UZUIXDBNICTEFW-AUEPDCJTSA-N 423.885 3.447 50 3 HGGF O=C(O)Cc1ccc(C[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)cc1 26731274 VTJKWCBVZXGWSP-MSDJZVLDSA-N 407.470 3.457 50 1 HGGF Nc1scc2c(C(=O)N/N=C\c3ccc(Cl)cc3)nn(-c3ccccc3)c(=O)c12 36519592 UZUIXDBNICTEFW-RMORIDSASA-N 423.885 3.447 50 1 HGGF COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(\C)C=O)[C@@]3(C)CC[C@H]21 40424174 ZQGPUDHBVNDQKG-VULAHYGLSA-N 404.503 3.418 50 1 HGGF O=C(CNCC1CC1)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49771205 YDOMLLPLYKCCSO-UHFFFAOYSA-N 404.551 3.120 50 1 HGGF CCOC(=O)[C@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537327 CUEHUJYXHORMFS-PRIMNGNOSA-N 421.243 3.439 50 1 HGGF CCN(CC)c1ccc(/C=N/NC(=O)CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 1857762266 CWHSTOMHXCKLSA-TXIDFYDASA-N 400.473 3.407 50 1 HGGF C[C@H](S[C@@H](C)C(=O)NN=Cc1ccc(F)cc1)C(=O)NN=Cc1ccc(F)cc1 254129650 WQZBJECPVQLPCI-KBPBESRZSA-N 418.469 3.075 50 3 HGGF COCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)CCl)cc2)n1 6670772 JOADAKQTJNKLER-UHFFFAOYSA-N 400.866 3.445 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]1C(C=O)=C[C@@]1(O)CC(C)(C)C[C@H]21 85635131 CYANGADGENNSLV-IZYRJDPASA-N 400.471 3.264 50 1 HGGF in-man NNC(=O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586960841 QCYSCEYNJSPFQT-GDLZYMKVSA-N 404.495 3.205 50 1 HGGF CC(=O)NCCCc1ccc([C@@]2(CCl)NCCc3c(C(=O)O)cccc32)cc1 963127879 YORZTGLLMZHBSJ-JOCHJYFZSA-N 400.906 3.082 50 1 HGGF COC(=O)C1=CN(c2ccc(OC)cc2OC)C(N)=C(C#N)[C@H]1c1ccccc1F 95566359 CEMSOSXVKOVQCD-HXUWFJFHSA-N 409.417 3.197 50 3 HGGF O=C1C[C@@H](CBr)N1OS(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1 473112972 GWEFNFKQLHPVSH-MOEXGYKKSA-N 422.300 3.473 50 1 HGGF CS(=O)(=O)c1ccc2[nH]c(CCl)c(CN3C(=O)c4ccccc4C3=O)c2c1 587650139 YIIRIICMZXAZSX-UHFFFAOYSA-N 402.859 3.106 50 1 HGGF C[C@@H]1CCCC[C@@H]1[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C\COCC(=O)O 100309332 JPMWVHYATGJOOX-OMYPYNNMSA-N 400.943 3.382 50 1 HGGF in-vitro C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=C(N)Oc1ccccc12 587747428 QGHVMTSJQKDARM-APBUJDDRSA-N 403.251 3.128 50 1 HGGF CCOC(=O)[C@@H](Br)[C@@]1(c2ccccc2)NCCc2nc3ccccn3c21 962990604 RMYKYQXNETUELR-YLJYHZDGSA-N 414.303 3.050 50 1 HGGF Cc1nc2ccccc2cc1C(=O)NN=C1C(=O)Nc2c(Br)cccc21 1911573168 DWQGOJJRMUFBGR-UHFFFAOYSA-N 409.243 3.392 50 1 HGGF C=C(NNC(=O)c1c[nH]c2ccccc12)c1cccc(NC(=O)CCCC(=O)O)c1 28825999 RWEDRHHRAWRWTO-UHFFFAOYSA-N 406.442 3.267 50 1 HGGF CO[C@H](C(=O)N/N=C/c1ccc(F)c(Br)c1)c1ccc2c(c1)OCCO2 84723792 GHYRVAGOHZJRGR-GVLJNOETSA-N 423.238 3.197 50 1 HGGF O=c1cc(CCl)oc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1O 96922705 GQBZKLIASIUGHE-UHFFFAOYSA-N 402.800 3.425 50 1 HGGF CCCc1c(O)ccc2c1O[C@@](CBr)(C(=O)CBr)CC2=O 587457392 YBOXRLMBRODJOT-HNNXBMFYSA-N 420.097 3.408 50 1 HGGF COc1ccccc1COc1cccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)c1 653899197 BIEBLLTYOLFLOE-FSJBWODESA-N 408.410 3.155 50 1 HGGF CC(=O)O[C@@H]1C(CO[Si](C)(C)C(C)(C)C)=C(Br)C(=O)[C@@H]2O[C@]21C 195442494 SKMOFBACQDORIZ-YCPHGPKFSA-N 405.361 3.329 50 1 HGGF C[C@@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc2c(c1)OCO2 72180607 IAIFBKDKWSKKQR-MRVPVSSYSA-N 406.225 3.298 50 1 HGGF C[C@H](S[C@@H](C)C(=O)NN=Cc1cccc(F)c1)C(=O)NN=Cc1cccc(F)c1 263591152 FWGNXZBVSQOWTR-KBPBESRZSA-N 418.469 3.075 50 3 HGGF CCO[C@@H]1[C@H](Br)Cn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@@H]1C 17216404 DQAFLNVGFSWHQX-LQAWEQHXSA-N 403.276 3.060 50 1 HGGF COc1cc(/C=N/NC(=O)CCn2cc(C)c3ccccc32)ccc1OCCCO 115597224 JSNUSMFGNGSNKS-BUVRLJJBSA-N 409.486 3.260 50 1 HGGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587411107 BQGJHKMCKXDUAB-ORAYPTAESA-N 403.228 3.462 50 1 HGGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2CNc2c3cccc2[N+](=O)[O-])c(OC)c1 1772639542 JRBIFTBHNFKWPL-GOSISDBHSA-N 406.398 3.256 50 1 HGGF O=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1ccccc1F 103276474 WZHIQEKZRDZFOQ-WSDLNYQXSA-N 406.446 3.197 50 1 HGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2c(S)nc(S)nc2[nH]1 587009670 OZFUUGATRHWXER-NSHDSACASA-N 418.935 3.050 50 1 HGGF COc1cc2c(cc1OC)C1=C(C#N)CC=C(NS(=O)(=O)c3ccccc3)N1CC2 169686664 UOSSZMYIBSKRNZ-UHFFFAOYSA-N 423.494 3.020 50 1 HGGF O=C1COc2cc3[nH]c([C@H](Cc4c[nH]c5ccccc45)NC(=O)CCl)nc3cc2N1 587009567 LMNMXXBDNFMWAR-KRWDZBQOSA-N 423.860 3.014 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(C#N)c(O)nc2CC[C@H]1Br 587374862 ZUIVGPQERLJIHV-VQIMIIECSA-N 414.259 3.120 50 1 HGGF Cc1cs/c(=N\NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)n1C 1857637739 RALLCBCFTFJUNP-GYHWCHFESA-N 421.478 3.179 50 1 HGGF C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)C(C)=CCC[C@](C)(OO)C=CC[C@@]3(C)O[C@H]3C[C@H]12 2356599220 RCYULYLGINZBIT-ZYSXZPBFSA-N 406.475 3.498 50 1 HGGF CC[C@]12CCCN3C[C@@H](Br)[C@@]4(c5ccccc5N5[C@H]4[C@]5(C(=O)OC)C1)[C@@H]32 84893270 AAPFHBYRDNKKNM-YTMZMJFKSA-N 417.347 3.080 50 1 HGGF O=C(O[C@@H]1CS[S@](=O)C1)c1cc(Br)ccc1Br 96283330 FNDJTUACUTXRST-IWEMQMMOSA-N 400.113 3.148 50 1 HGGF COc1cccc2c1O[C@@]1(C)[C@H](P(=O)(c3ccccc3)c3ccccc3)[N@]1[C@H]2O 1857541328 VWIKRKUDKCNUAU-ZJZGAYNASA-N 407.406 3.451 50 1 HGGF C=C(C(=O)OC)[C@@H]1C[C@]2(OO)C(=C)[C@H](OC(=O)C(C)C)CC[C@@]2(C)C[C@@H]1OC(C)=O 2356572309 XCXSKXOQGGFKAL-NUUGVNSMSA-N 424.490 3.210 50 1 HGGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(N1)c1ccccc1C[C@H]2Br 963224298 BRIQLFMKUGIJLB-QKNQBKEWSA-N 409.283 3.397 50 1 HGGF Cc1c(Nc2csc(NC(=O)CCl)c2C#N)c(=O)n(-c2ccccc2)n1C 72120444 QNMMQCSLIKEJCN-UHFFFAOYSA-N 401.879 3.339 50 1 HGGF CCOC(=O)c1[nH]c2ccc(Br)cc2c1/C=N\NC(=O)c1ccncc1 653708688 RJLRWECFCUZKHL-FBHDLOMBSA-N 415.247 3.266 50 1 HGGF COC(=O)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324359 YARTVPKHGCAPRT-CRAIPNDOSA-N 409.207 3.197 50 1 HGGF C[C@@H](S[C@H](C)C(=O)NN=Cc1cccc(F)c1)C(=O)NN=Cc1cccc(F)c1 4743141 FWGNXZBVSQOWTR-ZIAGYGMSSA-N 418.469 3.075 50 3 HGGF CCC[C@H](C[C@H](CCl)OC(C)=O)OC(=O)C(Br)Br 2356790965 GFYKJFVSIXNFHG-RKDXNWHRSA-N 408.514 3.375 50 1 HGGF N#CC(=C\c1ccc(Br)cc1)/C=C1\SC(=S)N(CC(=O)O)C1=O 103229571 WFPAVPWFIHBAGO-ZIIBAIFASA-N 409.286 3.185 50 1 HGGF N#C/C(=C\c1cccn1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 61944510 NUVDRZPNHCKDBZ-CPNJWEJPSA-N 416.455 3.203 50 3 HGGF CN(C)c1ccc([C@@H]2[C@@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 103206154 LJRABRXGTKKZDK-NVXWUHKLSA-N 403.269 3.253 50 1 HGGF CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337248 NRPPFVSXXLPRKI-SJAFXVJJSA-N 424.428 3.161 50 1 HGGF CCOC(=O)/C(=C(\C)N)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687021 FBHNVFGKCYKRMR-QUNCGXIBSA-N 419.722 3.352 50 1 HGGF Cc1ccc2nc(Cl)c([C@H]3[C@@H](Cl)C(=O)N3NC(=O)c3ccncc3)cc2c1 1772570893 OPLMNNCGWBCDTH-CVEARBPZSA-N 401.253 3.427 50 1 HGGF Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(N)c2)c1 13779086 VUTDEGWVHOPSSJ-UHFFFAOYSA-N 400.442 3.425 50 1 HGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]12 2356655735 KGBITPLFAPVFHQ-YSTOQKLRSA-N 418.486 3.085 50 1 HGGF CC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)n(C)n1 1862733 CWQIJVNYJRUBQW-NPQIQWPPSA-N 423.904 3.496 50 1 HGGF COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)cc1 103292529 SRRHDYSCIGEMSU-ZVHZXABRSA-N 417.421 3.410 50 1 HGGF O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(OC(F)(F)F)cc1 1857590584 FZZPEOHFVGFPGW-UHFFFAOYSA-N 410.373 3.362 50 1 HGGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NN=C1C(=O)Nc3ccc(F)cc31)O2 1911571906 DOCXDIODHJEWGH-QFIPXVFZSA-N 411.433 3.013 50 1 HGGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCl)c1ccc(NS(C)(=O)=O)cc1 963637630 SYRBIACTMXWRFD-RNODOKPDSA-N 424.950 3.092 50 1 HGGF N#Cc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 73138930 UBOVSTMZXYTWSW-OPEKNORGSA-N 413.462 3.147 50 1 HGGF CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(OC)C=C[C@@]3(C[C@@H]2N=C=S)[C@@H]1C5 100687095 BZNCZXAACAGXCK-RJFPACLCSA-N 410.539 3.248 50 1 HGGF Cc1ccc([C@@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)cc1 55805343 ADLHMCWOHOSXJY-QFIPXVFZSA-N 420.538 3.367 50 1 HGGF Cc1ccc(Nc2nc(NNC(=O)c3ccncc3)nc(Nc3ccccn3)n2)cc1 103218701 CKCAOUMVKHSMOX-UHFFFAOYSA-N 413.445 3.214 50 1 HGGF CN(C)c1ccc([C@@H]2[C@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 103206149 LJRABRXGTKKZDK-DOTOQJQBSA-N 403.269 3.253 50 1 HGGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C=O)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]12 103576657 KGBITPLFAPVFHQ-ZJDZPZKBSA-N 418.486 3.085 50 1 HGGF biogenic,in-vitro COC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1N1CCOCC1 13675420 RKCBAMHPICAVMZ-QGZVFWFLSA-N 400.866 3.035 50 1 HGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CCl)(c2cnc(N3CCCCC3)s2)N1 962915199 AXTWFNLLVYEARP-HNAYVOBHSA-N 409.914 3.354 50 1 HGGF CC(C)N1N=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](Cl)C1=O 587701959 COZLSAGUNNPXGD-OYBNVQJLSA-N 402.695 3.162 50 1 HGGF COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587686584 DAYWMNYQKUJMCC-QGVFVLOBSA-N 418.690 3.077 50 1 HGGF CC(C)CN(NC(=O)c1cc(-c2ccccc2)ncn1)c1nc(C#N)ncc1Cl 58574890 NGBVROZLRGFYBQ-UHFFFAOYSA-N 407.865 3.266 50 1 HGGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 103207482 AKBMNFVPURWEJR-UKRRQHHQSA-N 405.197 3.095 50 1 HGGF CCOC(=O)C(=C[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3)C(=O)OCC 103190912 GTWWRLLZIRZVAW-YYBDHTNSSA-N 424.490 3.044 50 1 HGGF Cc1ncccc1[C@@]1(CBr)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963222439 GMKQTQKELRHEIZ-UYAOXDASSA-N 412.287 3.176 50 1 HGGF COc1ccc(/C=N/NC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)cc1O 73141153 PRSYLYDCQXOXCI-KTZMUZOWSA-N 405.332 3.025 50 1 HGGF CCOC(=O)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539926 YRHAGFBKISTERQ-KSSFIOAISA-N 407.216 3.051 50 1 HGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 587729304 GUVRQAUEKCLPSD-UGZDLDLSSA-N 421.241 3.267 50 1 HGGF Cc1c(O)ccc2c1[C@@](CBr)([C@H](C#N)c1ccccc1)N[C@H](C(=O)O)C2 963509369 MMNMTMKMLOGJGX-GQIGUUNPSA-N 415.287 3.197 50 1 HGGF COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1NC(=O)CCl)OCO4)[C@@H](C2)C3=O 587418932 CAYSQYOSAICDIA-ZSEKCTLFSA-N 415.829 3.264 50 1 HGGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2[N+](=O)[O-])C1=O 1857545314 NUGDGCWFUWPHAC-MRXNPFEDSA-N 417.462 3.495 50 1 HGGF O=C(O)COc1cccc(C[C@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)[C@H]3CC[C@H]2O3)c1 195290163 JFLGDEPZDPAZLY-OLVOTLOESA-N 423.469 3.294 50 1 HGGF Nc1scc2c(C(=O)NN=Cc3ccc(Cl)cc3)nn(-c3ccccc3)c(=O)c12 8666584 UZUIXDBNICTEFW-UHFFFAOYSA-N 423.885 3.447 50 1 HGGF aggregator CC(C)[C@H](Br)C(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587367363 WQJCPHOIHMEYTR-AWEZNQCLSA-N 417.263 3.461 50 1 HGGF C=C1C2=C(C(=O)N1OC)[C@H](OC(=O)CCCCCl)[C@@](C)(O)[C@H](CCCCC)O2 1857567734 BLZNDTZNACLMBX-DCPHZVHLSA-N 415.914 3.209 50 1 HGGF CC(=O)NCCc1cc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)ccc1F 587381355 HXPBHJGNKNAKOK-NRFANRHFSA-N 404.869 3.494 50 1 HGGF O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(OCC2CCCCC2)c1 1857553074 RWQACGNZLBTSNO-UHFFFAOYSA-N 406.479 3.408 50 1 HGGF CN[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(NC=O)CC[C@@H]2[C@@]1(C)CC[C@@H](Cl)C(C)(C)O1 2356866125 VMGMIKLPOIXKLA-RXEAUGIDSA-N 415.018 3.221 50 1 HGGF CCN(CC)c1ccc(/C=N/NC(=O)CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c(O)c1 1857763611 FOJYGQPNPPVZOM-WLCYWKCBSA-N 416.472 3.112 50 1 HGGF O=C(O)Cc1ccc(C[C@@H]2[C@@H]3CC[C@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)cc1 169336529 VTJKWCBVZXGWSP-DHLHQIQISA-N 407.470 3.457 50 1 HGGF CN(C)C(=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009342 AODZUVQJFHDELP-IBGZPJMESA-N 423.904 3.385 50 1 HGGF CCCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O 587326781 CTEHWALQRNDWIG-SLYNCCJLSA-N 416.836 3.474 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(NS(C)(=O)=O)cc1)([C@H](C)Cl)O2 587410356 RAXMWHLVRYUJDI-HXPMCKFVSA-N 408.907 3.437 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@@H](C)N=C=S)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1C)[C@H]2O5 26383437 WTVMVUJOBOGEOT-AVAKHZLHSA-N 410.539 3.104 50 1 HGGF CN(C)CCSSCCC(=O)N1CCC(n2c(O)nc3ccccc32)CC1 618007617 HZCGOGOTIQOKHO-UHFFFAOYSA-N 408.593 3.239 50 1 HGGF CC=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1OC(C)=O)[C@@]1(C)C(C=O)=CCC[C@H]1C 2356474341 NSALWXIRBGWDKK-ZREGXQJESA-N 404.459 3.188 50 1 HGGF CC(=O)O[C@@H]1C(CO[Si](C)(C)C(C)(C)C)=C(Br)C(=O)[C@H]2O[C@]21C 195442502 SKMOFBACQDORIZ-FMKPAKJESA-N 405.361 3.329 50 1 HGGF O=c1nc2oc(CCCCl)cc2cn1Cc1cn(-c2ccc(Cl)cc2)nn1 1772653428 LZAGOQXXVIAXQE-UHFFFAOYSA-N 404.257 3.443 50 1 HGGF C[C@@H]1CCCC[C@H]1[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](Cl)[C@@H]1C/C=C/COCC(=O)O 169692588 JPMWVHYATGJOOX-YLIDQZRXSA-N 400.943 3.382 50 1 HGGF CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587689967 YDQIKGMSIAAAMO-FWTOCNMZSA-N 406.679 3.077 50 1 HGGF O=S(=O)(c1ccccc1)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 44018427 KCEBHDFLNQFNIZ-UHFFFAOYSA-N 405.516 3.298 50 1 HGGF COc1cccc(COc2ccc(/C=N/NC(=O)c3cc(O)c(O)c(O)c3)cc2)c1 653865319 BEXDMMNZSLPJSA-FSJBWODESA-N 408.410 3.155 50 1 HGGF Cc1ccc(NC(=O)NNC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)cc1 73139261 HAXZMPAZMQRPNB-UHFFFAOYSA-N 404.348 3.322 50 1 HGGF CCOC(=O)C1=C(/C=C/C#N)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 169723450 KDPMDERPFVVZQC-WGDYAQENSA-N 411.414 3.229 50 1 HGGF O=C(CCl)Nc1ccc2c(c1NC(=O)c1ccco1)C(=O)c1ccccc1C2=O 73197268 IGEAUPWJTSEJAU-UHFFFAOYSA-N 408.797 3.485 50 1 HGGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=NNC(N)=O)CC[C@@]43C)[C@@H]1CCC2=NNC(N)=S 2356762383 VRARBZPXAFLRSH-XUHKJIGQSA-N 416.595 3.163 50 1 HGGF CO[C@]12C=C[C@]3(C[C@@H]1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 100660514 WTVMVUJOBOGEOT-YFCDGUDISA-N 410.539 3.104 50 1 HGGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C\c2ccc(C(=O)O)s2)ccc1C(=O)O 219904451 SNMZLFPMSJECTI-FBHDLOMBSA-N 411.439 3.316 50 1 HGGF CC(C)(C)OC(=O)NC/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 95808497 LNWROKIHAFOCDQ-HZHRSRAPSA-N 420.510 3.298 50 1 HGGF CCOC(=O)/C(=C(\C)N)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689941 XVMMRKWOEQTTTQ-WPWLWSCCSA-N 419.722 3.352 50 1 HGGF CN[C@@H]1CC[C@@H](Br)C[C@@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O 169689183 SHHPSHHSRUDILS-DDKSNUGCSA-N 410.308 3.007 50 1 HGGF O=C1C[C@H](CBr)N1OS(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1 473112971 GWEFNFKQLHPVSH-FYCOFBDGSA-N 422.300 3.473 50 1 HGGF CCOC(=O)C[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538102 NKPOYOFBKKHROV-QFBILLFUSA-N 421.243 3.441 50 1 HGGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](C(=O)Cl)(c2c[nH]c3ccccc23)N1 963231659 NNWSEGJKFQASQB-DENIHFKCSA-N 405.841 3.324 50 1 HGGF COc1ccc(N[C@@H](C)C(=O)N/N=C\c2cc(Br)ccc2OC)cc1 15961324 RBIPRARFXNSRFU-OEKFUPINSA-N 406.280 3.417 50 1 HGGF CCCN1N=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](Cl)C1=O 587708187 XZKJOEODTOXDAK-OYBNVQJLSA-N 402.695 3.163 50 1 HGGF O=C(O)c1cc(F)c(N(CCBr)CCBr)c(F)c1F 28470591 JANJRLOSHHANDV-UHFFFAOYSA-N 405.008 3.398 50 1 HGGF CC(C)(C)OC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@H](c3cccnc3)[C@H]2C1 169687157 IYNZJGODCWEPGO-ZWKOTPCHSA-N 402.458 3.309 50 1 HGGF CCN(CC)C1=CC(=O)/C(=C/NNC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)C=C1 136409355 QOHLWYWUHWGWGZ-NBVRZTHBSA-N 405.502 3.176 50 3 HGGF Cc1nn(CCCl)c(C)c1[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975815 YSXLRAWLHNESLP-LRDDRELGSA-N 404.244 3.359 50 1 HGGF O=C(N/N=C\Nc1ccc(C(F)(F)F)cc1)[C@@H]1Cc2c([nH]c3ccccc23)CN1 103177992 RCOKBHSJEHAHNM-KRWDZBQOSA-N 401.392 3.373 50 1 HGGF Cc1nonc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537424 FHRBPTYPZMWDTN-KSSFIOAISA-N 417.215 3.336 50 1 HGGF COC(=O)[C@]1([C@@H](C)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 587671558 TYSYEEZOONIARF-PSQXESDUSA-N 409.093 3.274 50 1 HGGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1sc(B(O)O)cc1Br 963256757 DSFQMNMYNDDSFJ-KPZWWZAWSA-N 408.170 3.111 50 1 HGGF CCCCN1C(=O)/C(=N\NC(=O)c2ccncc2)c2cc(Br)ccc21 100175907 GHWCGWVJDLNDRW-PGMHBOJBSA-N 401.264 3.125 50 3 HGGF Cc1ccccc1Nc1nc(NNC(=O)c2ccncc2)nc(Nc2ccccn2)n1 103218614 PHOSDHVHDRDILT-UHFFFAOYSA-N 413.445 3.214 50 1 HGGF COC(=O)[C@H](Cl)[C@@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587714646 AIQJHKMKAYVFRO-YTODKYKMSA-N 400.622 3.363 50 1 HGGF C[C@H](C=C[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@]3(C)O)C(C=O)=CC[C@@H]12 2356347548 ULZUWKJCVZFDGB-XGGWXGCMSA-N 418.574 3.218 50 1 HGGF COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CCCC(C)C)c32)cc([N+](=O)[O-])c1O 1857765962 VIDJIRHJKZRDFC-INIZCTEOSA-N 413.434 3.229 50 1 HGGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587411102 BQGJHKMCKXDUAB-DJJJIMSYSA-N 403.228 3.462 50 1 HGGF CCOC(=O)[C@]1([C@H](Cl)C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587687413 GOYMLWOVVRUOAR-VXSYNFHWSA-N 406.679 3.077 50 1 HGGF O=c1cc(CCl)oc(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1O 96922715 WKLWSOOGSBSTFW-UHFFFAOYSA-N 416.827 3.421 50 1 HGGF COc1cc(C(=O)N/N=C/c2c[nH]c(-c3cccc(C(=O)O)c3)c2)cc(OC)c1OC 473085495 WXKPQTLBHPIBEA-WYMPLXKRSA-N 423.425 3.170 50 1 HGGF COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1Br)[C@@H](C2)C3=O 587417519 NNNHWMWGJVTQJD-PTAUBWNISA-N 424.291 3.196 50 1 HGGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NN=C1C(=O)Nc3ccc(F)cc31)O2 1911571904 DOCXDIODHJEWGH-JOCHJYFZSA-N 411.433 3.013 50 1 HGGF COc1cc(Br)cc(/C=N/NC(=O)CCCCCCC(=O)O)c1O 95808655 IHVOYPDROVNMPG-VCHYOVAHSA-N 401.257 3.039 50 1 HGGF CC(C)[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NCCCSSCCN(C)C 618008879 NDWRHTZEZGLSDM-GOSISDBHSA-N 407.646 3.375 50 1 HGGF O=C1c2cc3c(cc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCCl)OCO3 27188399 SDOYHGOHOXTXFO-UHFFFAOYSA-N 412.785 3.479 50 1 HGGF CCOC(=O)[C@]1([C@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537331 CUEHUJYXHORMFS-SVBQJQNYSA-N 421.243 3.439 50 1 HGGF C#CC=CC[C@H](Br)[C@]1(O)C[C@@H]2O[C@H](CC)[C@@H](Br)C[C@@H]2O1 2356306640 PCYNQLXLLJWWRG-IWTMDLJTSA-N 408.130 3.138 50 1 HGGF CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)/N=N/c1ccc(Br)cc1 103294140 NZOCMQHKIFADSY-SIUCFOQUSA-N 419.279 3.359 50 1 HGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(C#N)c(O)nc2CC[C@@H]1Br 587374859 ZUIVGPQERLJIHV-QFBILLFUSA-N 414.259 3.120 50 1 HGGF C[C@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc2c(c1)OCO2 72180606 IAIFBKDKWSKKQR-QMMMGPOBSA-N 406.225 3.298 50 1 HGGF COc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c(OC)c1 95809385 JTDFYHJNBHMZIT-HZHRSRAPSA-N 413.474 3.449 50 1 HGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCC(=O)O)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101281344 ZNOOBMSYKYNKMI-ORCMLXAYSA-N 410.385 3.228 50 1 HGGF C=C(C)C[C@@H](OC)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(N)=O 197978229 BIMZKOBOIQNVLR-FGZHOGPDSA-N 411.618 3.398 50 1 HGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CBr)(c2cccc(F)c2F)N1 962893941 GOEFMNSFOYQKJN-WMLDXEAASA-N 400.194 3.341 50 1 HGGF CN(C)c1ccc([C@H]2[C@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 103206151 LJRABRXGTKKZDK-RDJZCZTQSA-N 403.269 3.253 50 1 HGGF CC(C)N1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O 587326431 BUEYUJPDXOOQKU-SLYNCCJLSA-N 416.836 3.473 50 1 HGGF CC(C)[C@@]1(c2ccc(B(O)O)cc2)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963197953 UMZFJBPDRBIHKJ-IZZNHLLZSA-N 410.326 3.389 50 1 HGGF CC1(C)CN[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)c2cc3c(cc21)OCO3 963392430 ZXAZDIPBOTVGCV-JOCHJYFZSA-N 415.921 3.343 50 1 HGGF Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccco3)cc2)c1C 299828310 IWQBRRMQBGRLJV-GXDHUFHOSA-N 412.427 3.231 50 1 HGGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(C(=O)O)c1)[C@@H](C2)C3=O 587412854 CXQOTTSXHMTEQW-LIRRHRJNSA-N 403.228 3.431 50 1 HGGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2CNc2c3cccc2[N+](=O)[O-])cc1OC 1772631926 RANMAIRKHPDEIG-SFHVURJKSA-N 406.398 3.256 50 1 HGGF C=CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O 587332329 RYFFBEZINDJXRT-HFSMHLIXSA-N 414.820 3.250 50 1 HGGF Cn1c(C(=O)N/N=C/c2ccc(O)cc2)cc(Br)c1Br 169702861 RVWFDOINLSZJDV-FRKPEAEDSA-N 401.058 3.020 50 1 HGGF CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337223 NRPPFVSXXLPRKI-FAXZBDKVSA-N 424.428 3.161 50 1 HGGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC=Cn1c2nc(CCl)cc1=O 587549363 ZOAYDBPQNDJSKY-XMSQKQJNSA-N 422.824 3.419 50 1 HGGF Cc1nc2cc(C(=O)NCCSSCCN(C)C)cc(Br)c2[nH]1 618017208 HKDJHMVBTLHELU-UHFFFAOYSA-N 417.398 3.307 50 1 HGGF Cc1ccc(-c2cc(C(=O)NN/C=C3\C=C(Br)C=CC3=O)[nH]n2)cc1C 139691062 XTLQFWMMPXLUJP-GXDHUFHOSA-N 413.275 3.230 50 3 HGGF O=C(NNC(=O)c1occc1-c1ccc(Cl)cc1)c1ccc(O)c([N+](=O)[O-])c1 299825439 CNYARJOQCNHFTG-UHFFFAOYSA-N 401.762 3.289 50 1 HGGF CC(C)C[C@@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618008660 JGQCKCQLTIDVDO-HNNXBMFYSA-N 407.646 3.327 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@]3(O)C=C(C=O)[C@H]12 257401491 CYANGADGENNSLV-PFQKEVSBSA-N 400.471 3.264 50 1 HGGF endogenous,in-man CCOC(=O)[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587674632 YHUWPVZDSQBVEE-XLKFXECMSA-N 409.093 3.276 50 1 HGGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccncn1 587537418 FGKRDFGWCUOCLP-APWZRJJASA-N 413.227 3.434 50 1 HGGF COc1cccc2c1O[C@@]1(C)[C@H](P(=O)(c3ccccc3)c3ccccc3)[N@@]1[C@H]2O 1857541327 VWIKRKUDKCNUAU-NEWJYFPISA-N 407.406 3.451 50 1 HGGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H]1O[C@]1(C)C[C@@H](OO)C=C(C)CCC=C(C)[C@H]2OC(C)=O 2356613463 MPQMGJDSJYROKQ-OOKONMTESA-N 406.475 3.498 50 1 HGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)CCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103198860 RXOYGOGGBSLSBJ-GMPOBFAFSA-N 412.479 3.035 50 1 HGGF COc1cc2c3c(c1)O[C@](CNC(=O)CCl)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419517 DROSPHYSTGBWBA-MGPUTAFESA-N 406.265 3.347 50 1 HGGF COC(=O)[C@]1([C@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 587671555 TYSYEEZOONIARF-CYVIZDSUSA-N 409.093 3.274 50 1 HGGF CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587689968 YDQIKGMSIAAAMO-KRMBAHDKSA-N 406.679 3.077 50 1 HGGF C[C@H](S[C@H](C)C(=O)N/N=C/c1ccc(F)cc1)C(=O)N/N=C\c1ccc(F)cc1 31637693 WQZBJECPVQLPCI-BBIWSRBPSA-N 418.469 3.075 50 1 HGGF CC(=N)Nc1cccc(C(=O)NNC(=O)C[C@H](CC(=O)O)c2ccc(Cl)cc2)c1 13862972 PWRWRUDHYRCDSB-OAHLLOKOSA-N 416.865 3.159 50 1 HGGF COc1cc(OC)nc([C@@H](Cl)c2ccccc2NS(=O)(=O)C(F)(F)F)n1 103181226 GMDMGDJDGQAWIS-LBPRGKRZSA-N 411.789 3.084 50 1 HGGF CC(C)N1N=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](Cl)C1=O 587701848 COZLSAGUNNPXGD-BIZFCNDTSA-N 402.695 3.162 50 1 HGGF Cc1ccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)c(B(O)O)c1 1772656571 JIRMJKOVENECRF-UHFFFAOYSA-N 416.164 3.133 50 1 HGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(/C=C\N1CCOCC1)CCl 587547130 ZHCAAPVAFQTEFI-ICNOLWKDSA-N 401.846 3.177 50 1 HGGF CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)NCCc2nc3ccccn3c21 962990598 RMYKYQXNETUELR-FXAWDEMLSA-N 414.303 3.050 50 1 HGGF C[C@H](C=C[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@]3(C)O)C(C=O)=CC[C@H]12 2356347545 ULZUWKJCVZFDGB-HNGBSIHYSA-N 418.574 3.218 50 1 HGGF CCN(CC)CCSc1ccc(/C=C/C(=O)NO)cc1NC(=O)C(Cl)Cl 118757868 FDYCCWDPHWOAPH-SOFGYWHQSA-N 420.362 3.381 50 1 HGGF CCC(C=O)(CC)SSC(CC)(CC)[C@H]1[C@@H](OC)C(=O)N1CC(=O)OC 73162437 PXRCUGGKHPNRKA-HUUCEWRRSA-N 405.582 3.083 50 1 HGGF O=C1OC(=O)[C@H]2[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])C=C(c1ccco1)N2c1ccncc1 73390819 DFISPJSMZMAQTE-CDHQVMDDSA-N 417.377 3.296 50 1 HGGF COC(=O)c1cc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)ccc1O 587374777 QGULJXADHDRMJV-IBGZPJMESA-N 420.259 3.325 50 1 HGGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cccc(Cl)c1Cl 618007972 OYIILLNEZHVWKX-LBPRGKRZSA-N 411.376 3.208 50 1 HGGF CC(C)(C)Nc1nc(NNC(=O)c2ccncc2)nc(N2CCCc3ccccc32)n1 58493980 GTSURNYNZYOLTD-UHFFFAOYSA-N 418.505 3.318 50 1 HGGF CC=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1OC(C)=O)[C@]1(C)C(C=O)=CCC[C@@H]1C 2356474338 NSALWXIRBGWDKK-CINKYCMKSA-N 404.459 3.188 50 1 HGGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccccc2OC)no1)SC 103219652 ZIBSIIYSTSTFKW-KNTRCKAVSA-N 417.487 3.118 50 1 HGGF CN(C)C(=O)c1ccc2c(c1)[C@](CBr)(c1ccc(F)cc1F)NCC2 962928121 GYHOGGFFVYQXJE-IBGZPJMESA-N 409.274 3.451 50 1 HGGF N[C@@H](Cc1nc2cc(N(CCCl)CCCl)ccc2n1-c1ccccc1)C(=O)O 28539537 NMSSNIMMZNQSNV-INIZCTEOSA-N 421.328 3.264 50 1 HGGF Cc1oc2ccccc2c1C(=O)N1CCC(C(=O)NCCSSCCN)CC1 618007986 VSLLHCFCRMFPSK-UHFFFAOYSA-N 421.588 3.050 50 1 HGGF COC1=C/C(=C/NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)C=CC1=O 15961090 RTAKNVCMJRVMKE-BUHFOSPRSA-N 423.856 3.380 50 3 HGGF COC(=O)[C@@H]1C(C#N)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 40601990 HCQUZALETDAUGN-NHCUHLMSSA-N 423.421 3.283 50 1 HGGF O=C(CCl)Nc1ccc2c(c1NC(=O)CCCl)C(=O)c1ccccc1C2=O 73389823 WFCJHQJOGFLXKW-UHFFFAOYSA-N 405.237 3.207 50 1 HGGF CCO[C@H]1[C@H](Br)Cn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@@H]1C 17216407 DQAFLNVGFSWHQX-SSKCKEOISA-N 403.276 3.060 50 1 HGGF Cc1ccc(NC(=O)CNC2=C(C#N)[C@@H]3CCCN3C(=O)N2c2ccccc2)cc1 96935419 ATKQCXZHWMGPMQ-FQEVSTJZSA-N 401.470 3.363 50 1 HGGF N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCl 1772621262 UNPMWJRIFVJGSP-XFKSJGNHSA-N 407.967 3.051 50 1 HGGF C[C@H]1CCCC[C@@H]1[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C/COCC(=O)O 60027309 JPMWVHYATGJOOX-XFDSNGPTSA-N 400.943 3.382 50 1 HGGF C[C@@H]1CCCC[C@H]1[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C/C=C\COCC(=O)O 33821988 JPMWVHYATGJOOX-MODFXJGCSA-N 400.943 3.382 50 1 HGGF in-vitro COC(=O)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324363 YARTVPKHGCAPRT-YJBOKZPZSA-N 409.207 3.197 50 1 HGGF CC(=O)O[C@H]1C(CO[Si](C)(C)C(C)(C)C)=C(Br)C(=O)[C@H]2O[C@]21C 195442507 SKMOFBACQDORIZ-LZWOXQAQSA-N 405.361 3.329 50 1 HGGF O=C(N/N=C/c1ccc(OCCn2cc(-c3ccccc3)nn2)cc1)c1ccncc1 169346137 PSPQXKSDJPOREP-PCLIKHOPSA-N 412.453 3.183 50 1 HGGF C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)/C(C)=C/CC/C(C)=C/[C@@H](OO)C[C@]3(C)O[C@H]3C[C@H]12 238743523 MPQMGJDSJYROKQ-RMSBWNOXSA-N 406.475 3.498 50 1 HGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccn2c(CCl)nnc2c1 587891034 KMUBZFMDLPLSBC-UHFFFAOYSA-N 407.688 3.485 50 1 HGGF CC1(C)OC[C@H](COCC2=CC=C(COC[C@@H]3COC(C)(C)O3)SS2)O1 5963755 ASOYTLREHSGEPA-OKILXGFUSA-N 404.550 3.485 50 1 HGGF COc1cc2c3c(c1)O[C@](CBr)([C@H]1COc4ccccc4O1)[C@@H](C2)C3=O 587414845 XXJDOQBEUMOXPH-ZLXGRDSLSA-N 417.255 3.416 50 1 HGGF OB(O)c1ccc(OCc2ccccc2)cc1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN21 963096131 CQBSCKLFPTZDDM-NLFFAJNJSA-N 417.289 3.194 50 1 HGGF NCCSSCCCNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 618007672 KTRBNZRDFDRKLR-UHFFFAOYSA-N 404.483 3.351 50 1 HGGF OC[C@@H](O)[C@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586893359 XNTQGLSMHZIRRG-APPZFPTMSA-N 413.162 3.369 50 1 HGGF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c(O)c1 587239974 CVRSZVPAQIAUOI-UHFFFAOYSA-N 415.453 3.029 50 1 HGGF C=C[C@]1(C)[C@H](Cl)C[C@H]2C(=O)[C@@]1(N=C=S)C1=CC=C[C@@H]3NC(=O)[C@@H]([C@@H]13)C2(C)C 2356809042 ANAIJPORCUZMPW-XVXBXDDPSA-N 402.947 3.484 50 1 HGGF CC(=O)OC/C(=C\Cc1cc(OC(C)=O)ccc1OC(C)=O)CC/C=C(\C)C=O 238745087 PTFRLNDWAMMBFM-FJPJAHSRSA-N 402.443 3.495 50 1 HGGF CCOC(=O)[C@@H]1CCC[C@@H](Br)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587416736 DKSCDEDNLZDLBG-FAYLSGKYSA-N 409.276 3.308 50 1 HGGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(OCC(N)=O)cc1)CC2=O 587458965 GGBRUEMXOWKMEY-NRFANRHFSA-N 403.862 3.308 50 1 HGGF COc1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(F)c1 963551338 NDTBMGQVILJBGX-LPHOPBHVSA-N 424.266 3.086 50 1 HGGF C=C(C=O)[C@@H](COC(C)=O)C(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1 2356461485 HXCSKFLKZJKRES-QGZVFWFLSA-N 400.427 3.181 50 1 HGGF CC1(C)OC[C@@H](COCC2=CC=C(COC[C@@H]3COC(C)(C)O3)SS2)O1 5963774 ASOYTLREHSGEPA-ZIAGYGMSSA-N 404.550 3.485 50 1 HGGF COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([C@@H](C)N=C=S)C2 26380293 XVYDBKXHAQVZDF-QHJTZBTLSA-N 424.566 3.407 50 1 HGGF CCOC(=O)/C(=C(\C)N)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689939 XVMMRKWOEQTTTQ-SGVGAXCUSA-N 419.722 3.352 50 1 HGGF C[C@@H]1CC[C@H]2[C@@](C)(COS(=O)(=O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103190933 MYWARXURNXBVAR-MMRYFLFJSA-N 424.515 3.396 50 1 HGGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H]1O[C@]1(C)CC=C[C@](C)(OO)CCC=C(C)[C@H]2OC(C)=O 2356599218 RCYULYLGINZBIT-FWXAAJKCSA-N 406.475 3.498 50 1 HGGF O=S(=O)(Cc1ccccc1)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 44032218 JWGLVJXZMPQOJU-UHFFFAOYSA-N 419.543 3.439 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@H]3C=C(C=O)[C@@]12O 256600560 SJZRUQOYQZRISL-KUJXNSJESA-N 400.471 3.264 50 1 HGGF endogenous,in-man CC(C)N1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Cl)C1=O 587326424 BUEYUJPDXOOQKU-FBBABVLZSA-N 416.836 3.473 50 1 HGGF CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@@H]2O5 36311337 WTVMVUJOBOGEOT-OYIAADJOSA-N 410.539 3.104 50 1 HGGF COC(=O)[C@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538268 OMLWUGBYKGSVTN-MAZCYNQFSA-N 407.216 3.049 50 1 HGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2cc(C(=O)Cl)nn2c1 587890948 GWTKZCHCAKSEMM-UHFFFAOYSA-N 421.671 3.126 50 1 HGGF Cc1cc(SCC(=O)NN/C=C2\C=CC(=O)C=C2O)c(C)cc1Br 13119279 NYPMSLOEEPEBDA-XYOKQWHBSA-N 409.305 3.244 50 3 HGGF COc1cc(OC)c(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)cc1Br 13136653 GTLDIQWWVMOGAB-JMIUGGIZSA-N 420.263 3.189 50 1 HGGF CCCN1N=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](Cl)C1=O 587708182 XZKJOEODTOXDAK-FVLGBLRTSA-N 402.695 3.163 50 1 HGGF COc1cc(CCC(=O)N(C)CCSSCCN(C)C)cc(OC)c1OC 618009846 LOIWNKBMKSLAQB-UHFFFAOYSA-N 416.609 3.046 50 1 HGGF O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2NC(=O)CS3)s1 28826980 KIJRIJFRVAOZCO-UHFFFAOYSA-N 405.892 3.027 50 1 HGGF CN1CCc2cnn(C)c2[C@@]1(CBr)c1ccc(OCC(F)(F)F)cc1 963955433 PUSDRAXZRBGLAS-MRXNPFEDSA-N 418.257 3.488 50 1 HGGF CC1(C)CC[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(C)[C@H](C=O)C(C=O)=CC[C@]12O 2356681699 CONURYKPFPSXNB-SHBJFUFKSA-N 412.482 3.219 50 1 HGGF COC(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C 205700838 YAOUTZWJCOZEAJ-ILXRZTDVSA-N 401.576 3.134 50 3 HGGF CCOC(=O)c1c(C)[nH]c(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c1C 101654663 XDDCWRDHDZXOCH-SSZFMOIBSA-N 408.414 3.334 50 1 HGGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NCc1cccc2ccccc12)B(O)O 1857750575 VTTGDTZORZASPW-ZEQRLZLVSA-N 418.346 3.084 50 1 HGGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1ccc([N+](=O)[O-])cc1 1772583828 NGWVKMSMEADVFG-GOSISDBHSA-N 410.393 3.492 50 1 HGGF O=C(N/N=C/c1ccc2c(c1)CCO2)c1c[nH]c2c(C(F)(F)F)cccc2c1=O 73139105 NHEFVFJRVIKQLH-YCPBAFNGSA-N 401.344 3.246 50 1 HGGF COC(C)(C)[C@H](Br)c1nc2cc(I)cnc2[nH]1 586970764 GFETURHYWLYQDC-MRVPVSSYSA-N 410.053 3.424 50 1 HGGF CCC[C@@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618008130 BATYHTAKFYMNHF-HNNXBMFYSA-N 407.646 3.471 50 1 HGGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H]1O[C@]1(C)CC=C[C@@](C)(OO)CCC=C(C)[C@H]2OC(C)=O 2356599217 RCYULYLGINZBIT-ATUYINLCSA-N 406.475 3.498 50 1 HGGF O=C1OC(=O)[C@@H]2[C@@H](c3ccccc3[N+](=O)[O-])C=C(c3ccco3)N(c3ccncc3)[C@H]12 73392515 DFISPJSMZMAQTE-YSGRDPCXSA-N 417.377 3.296 50 1 HGGF CN1C(=O)C[C@@H]2CN[C@@](CCl)(c3ccc4c(c3)NC(=O)CS4)c3cccc1c32 963015897 AVHJBWSKOSMOHJ-GTJPDFRWSA-N 413.930 3.267 50 1 HGGF CCCN1N=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Cl)C1=O 587704616 JZBLZJFMAJNWQW-WKFLNTIRSA-N 402.695 3.163 50 1 HGGF Cc1cccc2c1[C@@](CCl)(c1cnon1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841253 KLOPNQPNBPSWIP-JLTOFOAXSA-N 421.881 3.497 50 1 HGGF CCOC1=C/C(=C/NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)C=CC1=O 13119290 NXDKMYCEGKISKM-JQIJEIRASA-N 412.449 3.474 50 3 HGGF O=C(N/N=C/c1cc2ccccc2n1S(=O)(=O)c1ccccc1)c1ccccc1O 95808629 HRPGECDLHNSHQB-HZHRSRAPSA-N 419.462 3.348 50 1 HGGF C=C(C)C[C@@H](OC)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(N)=O 197979263 BIMZKOBOIQNVLR-YADHBBJMSA-N 411.618 3.398 50 1 HGGF CC(=O)Nc1cc(/C=C\C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)n(C)n1 5582723 CWQIJVNYJRUBQW-WBTMPAOCSA-N 423.904 3.496 50 1 HGGF O=C(O)CC[C@@H](CCCSSCCC[C@@H](CCC(=O)O)C(=O)O)C(=O)O 13519093 FWXRWGOZASTQKI-TXEJJXNPSA-N 410.510 3.059 50 1 HGGF CCCN1N=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Cl)C1=O 587708191 XZKJOEODTOXDAK-WKFLNTIRSA-N 402.695 3.163 50 1 HGGF C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)C(C)=CCCC(C)=C[C@H](OO)C[C@@]3(C)O[C@H]3C[C@H]12 2356613464 MPQMGJDSJYROKQ-SQNFNTIFSA-N 406.475 3.498 50 1 HGGF Cc1nonc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587672486 GDUJPGNZYPLBQF-JKYUHCHBSA-N 419.092 3.452 50 1 HGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)CCl)nc1 587887126 BBMOTGUYMKDHPF-UHFFFAOYSA-N 410.688 3.276 50 1 HGGF COCCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 653862706 DTJWWUGWQSWMRH-UHFFFAOYSA-N 404.829 3.276 50 1 HGGF COC(=O)Cc1cc(/C=N/NC(=O)c2cnc3c(C(F)(F)F)cccc3c2O)co1 73195935 ODAGBRVIBRVSAN-HCBMXOAHSA-N 421.331 3.032 50 1 HGGF COc1cc2c3c(c1)O[C@H](c1cc(C(=O)CBr)ccc1O)[C@@H](C2)C3=O 587415205 QLPCPIUTZWHZNJ-ORAYPTAESA-N 403.228 3.467 50 1 HGGF CC(C)N1N=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Cl)C1=O 587701953 COZLSAGUNNPXGD-OELKAKTESA-N 402.695 3.162 50 1 HGGF CCO[C@@H]1[C@@H](Br)Cn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@@H]1C 5836253 DQAFLNVGFSWHQX-NVGVWMPQSA-N 403.276 3.060 50 1 HGGF O=C(O)COc1cccc(C[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 169371179 JFLGDEPZDPAZLY-VUUHDNSZSA-N 423.469 3.294 50 1 HGGF COc1cc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc(OC)c1OC 473085190 VQSHFRADLUDATH-FSJBWODESA-N 424.409 3.435 50 1 HGGF O=C(O)c1ccccc1C(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 44069532 ATSHWRJGWWNPGH-UHFFFAOYSA-N 413.470 3.448 50 1 HGGF COc1ccccc1NC(=O)C(=O)N/N=C(/CC(=O)c1cccs1)C(F)(F)F 137714509 DVEUPHCPHBSBAN-HMAPJEAMSA-N 413.377 3.003 50 1 HGGF C=CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Cl)C1=O 587332327 RYFFBEZINDJXRT-FBBABVLZSA-N 414.820 3.250 50 1 HGGF COc1ccc(/C=N\NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 61887640 JXPUGYJJOBWAOU-KQWNVCNZSA-N 423.494 3.284 50 1 HGGF Cc1nn(CCCl)c(C)c1[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975806 YSXLRAWLHNESLP-BLLLJJGKSA-N 404.244 3.359 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C1=C(C=O)[C@H](O)[C@@H]1CC(C)(C)C[C@H]12 2356387591 ZXLVDZRNPKMJND-RLFLCGPJSA-N 400.471 3.264 50 1 HGGF O=C(/C=C\c1ccco1)Oc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc1 33296707 ORQHFQVEAOKAOR-XKTUDCSPSA-N 404.378 3.391 50 1 HGGF Cc1nn(CCCl)c(C)c1[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975818 YSXLRAWLHNESLP-WBMJQRKESA-N 404.244 3.359 50 1 HGGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(Br)c1O 13586119 ZQILFCRZYYFVTK-QGZVFWFLSA-N 416.275 3.447 50 1 HGGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587416738 DKSCDEDNLZDLBG-QPWUGHHJSA-N 409.276 3.308 50 1 HGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=C(N)Oc1ccccc12 587747433 QGHVMTSJQKDARM-GIGQVBGESA-N 403.251 3.128 50 1 HGGF CC1(C)CC[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@]12O 2356681700 CONURYKPFPSXNB-TZYAJKAJSA-N 412.482 3.219 50 1 HGGF CCC(C=O)(CC)SSC(CC)(CC)[C@@H]1[C@H](OC)C(=O)N1CC(=O)OC 73162430 PXRCUGGKHPNRKA-GJZGRUSLSA-N 405.582 3.083 50 1 HGGF C[C@H]1OO[C@@H](COC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)[C@@H]2O[C@H]12 102259506 FMSPEMZCJBAPCE-MHOYMHACSA-N 401.297 3.140 50 1 HGGF C[C@H](S[C@H](C)C(=O)NN=Cc1cccc(F)c1)C(=O)NN=Cc1cccc(F)c1 4743138 FWGNXZBVSQOWTR-OKILXGFUSA-N 418.469 3.075 50 3 HGGF COc1ccc2cc(OCC(=O)NNC(=O)Nc3ccc(C(C)=O)cc3)ccc2c1 15933848 DZWQQIXGEBRRSL-UHFFFAOYSA-N 407.426 3.283 50 3 HGGF O=C(N/N=C\c1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1cccs1 33417914 WXOHFUVAVBYEEF-NDENLUEZSA-N 403.460 3.452 50 1 HGGF O=C1C(=O)N(CCCN=C=S)c2c(Br)cc(Br)cc21 72123354 YEYZTSGNEPQYRG-UHFFFAOYSA-N 404.083 3.234 50 1 HGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(N)=O)n(C)c2)N1 587683997 IVFGWEROHNBFPJ-VVVCHXIZSA-N 414.706 3.042 50 1 HGGF CN(CCCl)[C@@H]1CC[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 169359673 MSUIGQZUZUIMHT-NTLKZJPLSA-N 402.966 3.381 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@]3(O)C=C(C=O)[C@H]12 100782791 CYANGADGENNSLV-JYALNIHZSA-N 400.471 3.264 50 1 HGGF endogenous,in-man COC(=O)/C=C(\CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O 238740733 JBYWUCWGYTVZKN-PCUMRKNPSA-N 406.519 3.378 50 1 HGGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@]12O 256600561 SJZRUQOYQZRISL-STTVUTOOSA-N 400.471 3.264 50 1 HGGF endogenous,in-man COC(=O)[C@]1([C@@H](Cl)C(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587689346 RXYDSJBMRHWRSE-ASOWGIATSA-N 418.690 3.077 50 1 HGGF