smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)Oc1cc(C(=O)[C@H](Br)c2ccccc2)cc([N+](=O)[O-])c1OC(C)=O 27760442 NYZLJVASNWHCBX-MRXNPFEDSA-N 436.214 3.764 50 1 IHGF CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 101042635 RQSMYLDENWYOJU-SWUCNREESA-N 430.522 3.808 50 1 IHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCl)(c2cccs2)N1 587848987 QPOIBSNQSGODPJ-BTDLBPIBSA-N 431.758 3.783 50 1 IHGF CCOCCNc1c(C(=O)OCC)cnc2c1cnn2C[C@H](Cl)COc1ccccc1 13491847 HBLDIZVJYQRQOU-INIZCTEOSA-N 446.935 3.743 50 1 IHGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2nccnc32)cc(Br)c1OC 40767258 YJUPNGJPSCTMCZ-INIZCTEOSA-N 439.269 3.628 50 1 IHGF COc1cc2c3c(c1)O[C@@](CCl)([C@H](C#N)C(=O)NCc1ccc(Cl)cc1)[C@@H](C2)C3=O 587416942 GRVHUCDUGTZOTB-GSHUGGBRSA-N 445.302 3.530 50 1 IHGF CO[P@@](=O)(c1cc(C)cc(Br)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 653726172 QNIOLTXIEHAQRV-VWLOTQADSA-N 441.649 3.866 50 1 IHGF C[C@]1(C(=O)CCl)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963023244 SKZDTAYXUWMQMF-VGSWGCGISA-N 445.302 3.996 50 1 IHGF CC(C)OC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1N1CCOCC1 13675509 KNKIEBBPCJIPRM-IBGZPJMESA-N 428.920 3.813 50 1 IHGF N#CC(=C(/N)Sc1ccccc1[N+](=O)[O-])/C(C#N)=C(\N)Sc1ccccc1[N+](=O)[O-] 40461427 GRLOXLXQZWOGEQ-JYFOCSDGSA-N 440.466 3.775 50 1 IHGF CCc1ccc2c(c1)[C@@]1(C(C=O)=CO2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962675812 WYPHKNZTRDUNHZ-IZZNHLLZSA-N 428.488 3.615 50 1 IHGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 253639803 RQSMYLDENWYOJU-MALNDZBISA-N 430.522 3.808 50 1 IHGF CCOC(=O)C1([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587537066 AAZJSYHGCIFEHU-IERDGZPVSA-N 447.281 3.831 50 1 IHGF NC(=O)CCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546767 XPDIQEZDZGPBJB-URXFXBBRSA-N 437.879 3.906 50 1 IHGF CC1(C)O[C@@](C)([C@@H]2C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O)[C@H](O)C[C@H]1Br 2356790905 GEBGBDOHJSXYGV-OUYQZXAASA-N 448.623 3.600 50 1 IHGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)N=C2C=CC=CN2C(N)=C1C#N 82053130 VGGUMHGSTZVNJC-ZDUSSCGKSA-N 426.282 3.638 50 1 IHGF CO[C@H]1C[C@]2(C)[C@@H](O)[C@H](I)C[C@@H]2[C@H]2C=Cc3c(ccc(O)c3F)[C@@H]12 253646339 NGRZYNKRKBIHIT-CAKYDTSQSA-N 444.284 3.867 50 1 IHGF C=C1[C@H](O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OCCBr)[C@@H]2CC[C@]1(O)C3 299851788 JTNZINVYUCZWES-CMJIXDPGSA-N 441.406 3.979 50 1 IHGF CCOC(=O)[C@@H](Br)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415477 TWFCNLFXLCOTJM-VMRPVKRXSA-N 431.282 3.665 50 1 IHGF COC(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@]4(C)OO[C@@]23[C@@H](OC)O4)cc1 100861368 KYULMMAOQVPRQZ-KSPOJXDVSA-N 434.485 3.636 50 1 IHGF COc1cc(/C=N\NC(=O)Nc2nnc(COc3ccc4ccccc4c3)o2)ccc1O 53276622 PYXJVPWLCUNYAT-FMCGGJTJSA-N 433.424 3.672 50 1 IHGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(N)=O 587688332 LKUVWFWVSZTLCD-OVWNDWIMSA-N 442.760 3.508 50 1 IHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(c4ccsc4CCN3Cc3cccn3C)[C@@H]2N1 962378640 YYCGUBXROAENDO-PKTZIBPZSA-N 445.032 3.795 50 1 IHGF NC(=O)c1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587497030 BMZAVSLIHITZJD-NRFANRHFSA-N 430.298 3.626 50 1 IHGF O=C(CSc1ncccn1)N/N=c1/scc(-c2ccc(F)cc2)n1-c1ccccc1 103238674 YUMQOIYEAYGFMH-YYADALCUSA-N 437.525 3.859 50 1 IHGF CC1(C)CC(CCC(=O)ONP(=O)(N2CC2(C)C)N2CC2(C)C)CC(C)(C)N1O 43010043 NDUPIZWPYFSFRS-UHFFFAOYSA-N 430.530 3.769 50 1 IHGF COC(=O)CCCn1c(C)cc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587419199 XDLQUAKBBZNOIH-JPYJTQIMSA-N 431.916 3.948 50 1 IHGF C=CC(C)(C)c1[nH]c2ccc(C[C@H](Cl)C(C)(C)O)cc2c1C=C1NC(=O)[C@@H](C)NC1=O 2356647721 VIKMWNKSZYUXNW-YJYMSZOUSA-N 443.975 3.528 50 1 IHGF CC(=O)C=CC[C@H](Br)[C@@H]1C[C@H](Cl)[C@@H](C[C@@H](O)C=C=CBr)O1 2356788450 CCJFRYFGDRFMCR-MPMBFSNHSA-N 442.575 3.865 50 1 IHGF CC(C)(C)OC(=O)N1CCC[C@@H]([C@@]2(CBr)NCCc3ccc(O)cc32)C1 963351690 IDTNARHBSHEETC-FOIQADDNSA-N 425.367 3.775 50 1 IHGF O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(C(=O)N/N=C/c2cc(O)c(O)cc2O)cc1 474605832 GIKXZFYSZMMEBB-IGIDEGMOSA-N 449.850 3.713 50 1 IHGF C=CC(=O)Nc1cccc(Nc2nc(NNC(=O)c3ccc(OC)cc3)ncc2Cl)c1 653801343 SGKSEHMSSZIMQU-UHFFFAOYSA-N 438.875 3.764 50 1 IHGF CC(C)CN(NC(=O)c1ncoc1-c1ccccc1)c1nc(C#N)ncc1Br 58583782 NKHJMMAETONKIY-UHFFFAOYSA-N 441.289 3.573 50 1 IHGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2[C@@H](Br)C=O 963862812 HLKYSDXGIXZQQN-KMFMINBZSA-N 426.307 3.635 50 1 IHGF COc1ccc(/C=N/n2cnc3c(c2=O)SC(=C(C#N)C#N)N3c2ccccc2)cc1 1633234 YFTOQWGTDWQDIG-LGJNPRDNSA-N 426.461 3.637 50 1 IHGF N#CSC[C@@]1(c2sccc2Br)N[C@H](C(=O)O)Cc2cccc(F)c21 962897771 NJSXCEIENLSZOA-BLLLJJGKSA-N 427.320 3.706 50 1 IHGF CNc1ccc(Oc2cc(Cl)cc(/C=C/C#N)c2)c(OCCn2ccc(=O)[nH]c2=O)c1 73196332 HQHJRZSNJDOQJE-NSCUHMNNSA-N 438.871 3.640 50 1 IHGF Cc1nc(-c2ccccc2)ccc1C(=O)NN=C1C(=O)Nc2ccc(Br)cc21 1772581684 FEYGQCGPNBVEMK-UHFFFAOYSA-N 435.281 3.906 50 1 IHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccc(CN4CCOCC4)[nH]3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49677908 JQXKOFUECFFOFP-KXZSJBCISA-N 432.561 3.770 50 1 IHGF CCOC(=O)[C@H](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)C(F)(F)F 169319545 XYCXAHCXLSZRQC-WRNINALGSA-N 438.439 3.705 50 1 IHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCl)(c2ccccc2)N1 587682197 BXEUSDXZWVPDLP-HXPMCKFVSA-N 425.729 3.721 50 1 IHGF CN(C)CCSSCCNC(=O)[C@H](c1ccccc1)N(C)C(=O)OC(C)(C)C 618008864 MIGOYWZJFKVFMD-KRWDZBQOSA-N 427.636 3.654 50 1 IHGF CSc1nc(N2CCOCC2)c2cnn(C[C@@H](Br)c3ccccc3)c2n1 40913799 PYIPLYJRCWMWGU-OAHLLOKOSA-N 434.363 3.521 50 1 IHGF Cc1ccc([C@H]2[C@@H](Cl)C(=O)N2C(=O)NCCCn2ncc3ccc([N+](=O)[O-])cc32)cc1 199898392 FSONZIUFECVOQL-MOPGFXCFSA-N 441.875 3.544 50 1 IHGF N#C/C=C/c1cc(F)cc(Oc2ccc(Cl)cc2OCCn2ccc(=O)[nH]c2=O)c1 73196330 FWMJMXYONYSPRM-OWOJBTEDSA-N 427.819 3.737 50 1 IHGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CNC(=O)CBr)(c2ccccc2)N1 962947692 OFRZVWKRLITOIW-AOMKIAJQSA-N 426.358 3.847 50 1 IHGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NN=C1C(=O)Nc3cc(Cl)ccc31)O2 1911573795 BCZJRMYXTGAXTR-JOCHJYFZSA-N 427.888 3.527 50 1 IHGF Cc1ccc(-c2csc(/C(C#N)=C(/O)CN3CCN(C(=O)c4ccco4)CC3)n2)cc1 102502670 DZFKLALDYJHFMM-CZIZESTLSA-N 434.521 3.962 50 1 IHGF CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2=C(C#N)[C@@H]3CCC[C@@H]3S2)c1 169701125 OOIQXCGMULMSHT-GUYCJALGSA-N 439.990 3.751 50 1 IHGF CCCCCCCc1[nH]nc2c1[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857771485 GXXKVPHAUCULSM-KRWDZBQOSA-N 427.461 3.763 50 1 IHGF N#C/C=C\CN1CCc2[nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn3c2C1 1772612376 OSQJJLFPWARQOY-PLNGDYQASA-N 438.491 3.658 50 1 IHGF COc1c(B(O)O)cccc1-c1cc(-c2ccc(F)c(Cl)c2)c2c(ccc3n[nH]cc32)n1 1857550113 SHYUJFCNNKCWLO-UHFFFAOYSA-N 447.662 3.926 50 1 IHGF C[C@@H]1C(=O)[C@@H](O)[C@]2(Br)O[C@@H]3C[C@](C)(Cl)[C@@H](Br)C[C@]13C2(C)C 238782307 XVMFEBISJKVKMA-IZESIRDWSA-N 444.591 3.624 50 1 IHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2ccccc2O)s1 43013406 HSSABKLOLHKREJ-ZWKOTPCHSA-N 425.901 3.645 50 1 IHGF C=C(OCCC[Si](OC)(OC)OC)[C@@]1(C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962623441 KHQUTPRZAJSWKZ-ZHRRBRCNSA-N 439.625 3.594 50 1 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NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1Cl 28353709 XWEGBGXFCGZRNE-UHFFFAOYSA-N 442.953 3.850 50 1 IHGF CS(=O)(=O)c1nc(NCc2ccccc2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 71318343 SBOWFSJAIITCRO-GOSISDBHSA-N 441.944 3.822 50 1 IHGF CC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]3c4cc5c(cc4C(=O)N[C@H]3[C@@H]2O1)OCO5 195135735 HOEIJXITEOYJGE-VUCAUUSGSA-N 447.604 3.925 50 1 IHGF CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 253639801 RQSMYLDENWYOJU-IZBOUPIGSA-N 430.522 3.808 50 1 IHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 145744907 OVBGAGDAJJLPTP-JMRKLLIOSA-N 433.457 3.960 50 1 IHGF C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@H](Cl)N=C2)c1 166956569 LSOZVYDETZGJRK-BFUOFWGJSA-N 448.914 3.806 50 1 IHGF Cc1ccc(S(=O)(=O)OC[C@@]2(C)O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)cc1 103190936 VHRWJCFMOPFWET-RDBVJRLBSA-N 438.542 3.705 50 1 IHGF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43[C@@H](O)CI)[C@H]1CCC2=O 253633150 FLPJFBVKUMSCOB-SEVYPCERSA-N 442.337 3.863 50 1 IHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N4CCOCC4)cc1)[C@@H](C2)C3=O 587414849 XYRLISIRJCEXJH-AVRDEDQJSA-N 444.325 3.570 50 1 IHGF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1Br)[C@@H](C2)C3=O 587419011 VYODRBBICNFYQR-KPHUOKFYSA-N 438.318 3.586 50 1 IHGF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@]3(O)CC=C(C=O)[C@H](C=O)[C@@]23C)cc1 2356418222 ZQYOVSWUNPPKMW-PEARBKPGSA-N 426.509 3.522 50 1 IHGF Cc1c(O)ccc2c1[C@](CCl)(c1cc(Oc3nccs3)ccc1O)N[C@H](C(=O)O)C2 963527925 RFHTVQUBUUOBMP-BTYIYWSLSA-N 446.912 3.736 50 1 IHGF C=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 28825993 HVJYSBVFYIUHFA-WBADGQHESA-N 447.535 3.911 50 1 IHGF CC(C)C[C@H](N)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43122781 HMKZUDXPUMVMPD-DHMAKMBKSA-N 434.584 3.837 50 1 IHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCl)(c2cccs2)N1 587848989 QPOIBSNQSGODPJ-QGHHPUGFSA-N 431.758 3.783 50 1 IHGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@H](C[C@@H]2Cl)[C@H](Br)C[C@@H]2O[C@H]12 2356657553 KKVLDYZJUNUWNP-MTKYLEDXSA-N 442.575 3.913 50 1 IHGF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O 587413582 HPURDXVKXFEKEY-XPIZARPCSA-N 431.282 3.885 50 1 IHGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@H](C[C@@H]2Cl)[C@H](Br)C[C@H]2O[C@H]12 2356657552 KKVLDYZJUNUWNP-CEHQTBHESA-N 442.575 3.913 50 1 IHGF Cc1nn(C)cc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674741 ZWYUAGHXDUVDPE-JDNHERCYSA-N 431.147 3.803 50 1 IHGF Cc1c(Cl)c(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 15115460 UHFQTECWVLYLBG-XDWCERCKSA-N 434.916 3.917 50 1 IHGF endogenous,in-man CC1(C)OC(=O)c2ccccc2-c2c(nc3ccccc3[n+]2[O-])C(=O)C[C@H]1Br 43120630 JDINCGJYJISCLZ-QGZVFWFLSA-N 441.281 3.821 50 1 IHGF Cc1nonc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324077 VYHKONBFEWELFA-QFBILLFUSA-N 433.233 3.872 50 1 IHGF CN1C(=O)[C@@]23C[C@@]4(c5c[nH]c6ccccc56)c5ccccc5N[C@@H]4N2C(=O)[C@@]1(C)SS3 2356721389 CQRSARRFRQOYOG-QQUTXWOLSA-N 448.573 3.717 50 1 IHGF COC(=O)C1=C2[C@](C)(C[C@H](Br)[C@@H](S)[C@@]2(C)C(=O)OC)c2ccccc21 2356696181 NCCPEJNMGVSSGF-PNYIKSMMSA-N 425.344 3.529 50 1 IHGF COc1ccc(C[C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c(Br)c1OC 40592642 SZMWLVBWRZMTLK-OAHLLOKOSA-N 444.329 3.945 50 1 IHGF CC(=O)C(OO[C@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C(C)=O 587099225 CTVMEAJGLAMZKW-RUZDIDTESA-N 431.444 3.880 50 1 IHGF CC(=O)NCc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587686268 TUYFZYQOIMMCAX-XTZNXHDOSA-N 429.717 3.834 50 1 IHGF CO[P@](=O)(c1cc(C)cc(Br)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 653726171 QNIOLTXIEHAQRV-RUZDIDTESA-N 441.649 3.866 50 1 IHGF CCOC(=O)Cc1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009872 WODCKCWLCWIIEU-FQEVSTJZSA-N 438.915 3.789 50 1 IHGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccncc1Br 95808903 YJBPHMOLSNCXIA-WSDLNYQXSA-N 433.306 3.589 50 1 IHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O 587415820 YMPRLDSKKUIMEE-ORAYPTAESA-N 434.242 3.650 50 1 IHGF CN(C)CCSSCCNC(=O)[C@@H](c1ccccc1)N(C)C(=O)OC(C)(C)C 618008865 MIGOYWZJFKVFMD-QGZVFWFLSA-N 427.636 3.654 50 1 IHGF CN(c1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(O)c3)n2)cc1)S(C)(=O)=O 587923790 OTCCWJRBJUCRKW-OQLLNIDSSA-N 427.507 3.681 50 1 IHGF Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1 33344734 JSTBBLDUEFOWTR-QFEZKATASA-N 447.447 3.960 50 1 IHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)CCC(=O)N4C)[C@@H](C2)C3=O 587412488 IIMWFTRHRDDLDQ-KSFYIVLOSA-N 442.309 3.642 50 1 IHGF COC(=O)C(C)(C)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539988 ZFEIOMHEXKJDJU-MGPUTAFESA-N 435.270 3.687 50 1 IHGF CC(=O)NCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587542043 FGPPPNYSANLAMR-DENIHFKCSA-N 427.840 3.717 50 1 IHGF CO[C@@H]1O[C@@H](CBr)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1OCc1ccccc1 27979486 CADSPMAYVWVCHB-VPAKFMSCSA-N 427.335 3.782 50 1 IHGF CO[C@@H]1[C@@H]2[C@H](C=C(C=O)[C@]3(OC)[C@@H](OC(=O)c4c(C)cc(O)cc4O)C[C@@]23C)CC1(C)C 2356563243 UMRPVWLDFFOWGL-BFGZUMCWSA-N 444.524 3.543 50 1 IHGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1ccccc1Cl 55802599 MSADLXGTTPCNOZ-NRFANRHFSA-N 440.956 3.712 50 1 IHGF Cc1nc(-c2ccccc2Br)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 653899332 AYNSQOREFZGEKI-QQTULTPQSA-N 449.308 3.930 50 1 IHGF COC(=O)[C@H](Br)Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1 26253369 BMADVLKNCHYPLK-MRXNPFEDSA-N 433.302 3.822 50 1 IHGF Cc1sc2nc(SCCC(=O)NN)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 28349506 ATHCESZTHQPTFR-UHFFFAOYSA-N 436.562 3.895 50 1 IHGF CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2=C(C#N)[C@H]3CCC[C@@H]3S2)c1 169701126 OOIQXCGMULMSHT-DYVFJYSZSA-N 439.990 3.751 50 1 IHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(Br)nc2[nH]1 587009591 MRGXNUNWHXPXDP-AWEZNQCLSA-N 432.709 3.841 50 1 IHGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3ccc(O)cc3O)cc2)o1 1772594085 HKDWTAKTDWUSSG-ZMOGYAJESA-N 430.420 3.587 50 1 IHGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NO[C@H](CBr)C2)cc1 103216795 LUZXJWSFDYIWLC-LBPRGKRZSA-N 438.228 3.815 50 1 IHGF CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(N(C)C)cc2)/C(=C/c2ccc(N(C)C)cc2)C1 40614066 NMBNDIOOWUDXSF-SUUHDTSPSA-N 441.579 3.909 50 1 IHGF C=CC(C)(C)c1[nH]c2ccc(C[C@H](Cl)C(C)(C)O)cc2c1C=C1NC(=O)[C@H](C)NC1=O 2356647719 VIKMWNKSZYUXNW-DJJJIMSYSA-N 443.975 3.528 50 1 IHGF Cc1ccccc1-n1c(C)nc2c(OCC(=O)N/N=C\c3ccccc3)cccc2c1=O 82157892 JMOJQKUWCAJDDR-YSMPRRRNSA-N 426.476 3.532 50 1 IHGF O=CC1=COc2cc(F)ccc2[C@@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963172925 OONDWBSFUIULII-APWZRJJASA-N 441.764 3.816 50 1 IHGF C=C[C@](C)(CCC=C(C)CC[C@]1(C)C(C=O)=CCC[C@@H]1C)S(=O)(=O)CCNC(=N)N 2356401673 LREQFFZTNFHDAQ-PMOQBDJRSA-N 437.650 3.897 50 1 IHGF COC1=CC(=CNNC(=O)c2cc(-c3ccccc3)nc3ccccc23)C=C(OC)C1=O 13126066 GXVAHZKNOAJHEN-UHFFFAOYSA-N 427.460 3.663 50 3 IHGF CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1ccccc1 72108745 XEJDRTMVSWCKSD-QDVZYSMTSA-N 438.900 3.512 50 1 IHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1ccc([N+](=O)[O-])cc12 587754060 XNROJEQKPLUDHI-APBUJDDRSA-N 433.233 3.749 50 1 IHGF COc1cc(NC(=O)c2cccc(NC(=O)[C@H](C)Br)c2)cc(OC)c1OC 28954483 NNQBWDADRSYBNS-NSHDSACASA-N 437.290 3.687 50 1 IHGF CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]3(C)[C@]2(C(=O)CCl)O1 253636561 NDBLUKGHBOYXNG-DSUDFWJPSA-N 434.960 3.573 50 1 IHGF O=C(N/N=C/c1c[nH]c2cc(F)ccc12)C(=O)c1c[nH]c2ccc(Br)cc12 1857749135 RTHPKWSWZRHQIE-KTZMUZOWSA-N 427.233 3.884 50 1 IHGF CCOC(=O)c1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587414403 VBCWHHWRPXRZOM-IIBYNOLFSA-N 431.282 3.910 50 1 IHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCl)(c2cccs2)N1 587848988 QPOIBSNQSGODPJ-DYZYQPBXSA-N 431.758 3.783 50 1 IHGF CSC1=C(CO[P@](N)(=O)N(CCCl)CCCl)C(=O)c2ccccc2C1=O 26850531 YKSVIOXGEAWJTI-VWLOTQADSA-N 437.285 3.546 50 1 IHGF O=C1c2cc(O)ccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCBr 299867495 YDGJGHFISGQFOE-UHFFFAOYSA-N 429.226 3.612 50 1 IHGF CC(=O)[C@H](Cl)[C@]1(C(F)(F)F)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963202549 ZTPGSTOWFOGBHK-NTZNESFSSA-N 438.151 3.912 50 1 IHGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCl)c1cc2c(cc1Cl)NC(=O)CO2 963631395 DGTZTTXRLULFFT-FIKIJFGZSA-N 437.323 3.705 50 1 IHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587412419 CEJXUEDICBDFIE-ORAYPTAESA-N 434.242 3.650 50 1 IHGF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCC)C[C@H]1Br)CC2=O 587461460 XLSFQPVOQAKKAP-APWZRJJASA-N 426.307 3.674 50 1 IHGF CO[C@@H]1[C@@H]2[C@H](C=C(C=O)[C@]3(OC)[C@H](OC(=O)c4c(C)cc(O)cc4O)C[C@]23C)CC1(C)C 2356563244 UMRPVWLDFFOWGL-QQLVGACPSA-N 444.524 3.543 50 1 IHGF C[C@@H]1CC[C@H]2[C@@](C)(CC(=O)Oc3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103192702 RRQKDSZIXYZMQS-GQXOZWFUSA-N 433.457 3.895 50 1 IHGF O=C(O)COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC2CC(C3)C4=O)cc1 1857535301 LQUKKELQHBLNRD-UHFFFAOYSA-N 428.481 3.814 50 1 IHGF COC(=O)C1=C2[C@@](C)(C(=O)OC)[C@H](S)[C@@H](Br)C[C@]2(C)c2ccccc21 2356696179 NCCPEJNMGVSSGF-GGCQVYRISA-N 425.344 3.529 50 1 IHGF CN1C(=O)[C@@]23C[C@@]4(c5c[nH]c6ccccc56)c5ccccc5N[C@H]4N2C(=O)[C@@]1(C)SS3 2356721386 CQRSARRFRQOYOG-AWDZXFJFSA-N 448.573 3.717 50 1 IHGF CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1C 963023691 KJVHXKAOOYUDDE-XAPDGSRCSA-N 429.948 3.732 50 1 IHGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3cccc(O)c3O)cc2)o1 1772655118 HDLIWOGXDNCSEW-ZMOGYAJESA-N 430.420 3.587 50 1 IHGF N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCCCl 1772580682 XBTRNAJDNAEYQI-HIUFNZKISA-N 436.021 3.831 50 1 IHGF COC(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@@]4(C)OO[C@@]23[C@@H](OC)O4)cc1 43327989 KYULMMAOQVPRQZ-JMFCIBLXSA-N 434.485 3.636 50 1 IHGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOS(=O)(=O)c4ccc(C)cc4)[C@]13OO2 100861706 UCLNHOZSBNUUBF-OHNKGQGDSA-N 426.531 3.706 50 1 IHGF COc1ccc(-c2nnc(-c3ccc4nc(C(C)(C)NC(=O)CCl)[nH]c4c3)o2)cc1 587009835 VKMXNUFKLSGFQU-UHFFFAOYSA-N 425.876 3.879 50 1 IHGF O=C1c2ccccc2C(=O)N1CCc1c(CBr)[nH]c2cc([N+](=O)[O-])ccc12 587644297 SYEUQTZOGZJDPM-UHFFFAOYSA-N 428.242 3.810 50 1 IHGF O=CC1=COc2cc(F)ccc2[C@@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963172933 OONDWBSFUIULII-LPHOPBHVSA-N 441.764 3.816 50 1 IHGF N#CC1=C(N)OC(c2ccccn2)=C([S@](=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1857756369 JVMPAJWNHNSYPQ-QTYPKTMWSA-N 444.472 3.974 50 1 IHGF CC1=CC(=O)O[C@@H]1C=C[C@](C)(CC[C@@H]1[C@](C)(O)C[C@@H]2OC(=O)[C@]3(C)CCC[C@]1(C)[C@@H]23)OO 2356530180 GSHNDISVGWHAIW-SETYNNGWSA-N 448.556 3.952 50 1 IHGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NO[C@@H](CBr)C2)cc1 103216797 LUZXJWSFDYIWLC-GFCCVEGCSA-N 438.228 3.815 50 1 IHGF C[C@@H](C[C@H]1C(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)Cl 138900321 UTEKGWWXPYZXIW-XKNYDFJKSA-N 426.599 3.880 50 1 IHGF Cc1c(Cl)c(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 15115464 UHFQTECWVLYLBG-BALCVJSVSA-N 434.916 3.917 50 1 IHGF endogenous,in-man COc1cc2c(cc1OC)[C@@](CCl)(c1cn(-c3ccc(F)cc3)nn1)N(C)[C@@H](C)C2 962637803 UCSIQCPBJPJFGO-FPTDNZKUSA-N 430.911 3.782 50 1 IHGF CCCc1c(O)ccc2c1O[C@@](CNC(=O)CBr)(c1ccccc1)CC2=O 587457303 XNJBEJWGQJYPNX-NRFANRHFSA-N 432.314 3.717 50 1 IHGF Cc1cc2c(cc1C)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 587746271 LQPZRXBUGLEPCQ-XUSGNXJCSA-N 431.305 3.744 50 1 IHGF CC(=O)CCCC(C)(C)C(=O)CCC(C)=CCCC(C=O)=CC[C@@H](O)C1=CC(=O)O[C@H]1O 2356375622 FEMXYJKADLXNFO-ZJSXRUAMSA-N 448.556 3.526 50 1 IHGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3CCN2C)cc(Br)c1OC 38940950 FKWMEXURLQIENT-SFHVURJKSA-N 442.313 3.677 50 1 IHGF CC1(C)O[C@@](C)([C@@H]2C[C@@H](Br)[C@@](C)(Cl)C[C@@H]2O)[C@H](O)C[C@H]1Br 2356790902 GEBGBDOHJSXYGV-ALHFIFOXSA-N 448.623 3.600 50 1 IHGF CCC[C@H](C[C@H](O)[C@@H](Cl)Br)OC(=O)C(Br)Br 2356801030 QJWSUVKVZUNOPM-GKROBHDKSA-N 445.373 3.525 50 1 IHGF COC(=O)C1=CN(C2CCCCC2)[C@@]2(c3ccccc3)c3ccccc3C(=O)OC(=O)[C@@H]12 254201028 SLJMMFIQKYFVQJ-GJZUVCINSA-N 431.488 3.949 50 1 IHGF CN(C)CCSSCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 618008877 NDJUUUWMULSIBK-SFHVURJKSA-N 441.663 3.572 50 1 IHGF O=C(COc1ccc(Cl)cc1Cl)N/N=C1/SCC(=O)N1c1ccc(F)cc1 1772624004 KZKLNVYTRNHNTF-OQKWZONESA-N 428.272 3.679 50 1 IHGF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43[C@H](O)CI)[C@H]1CCC2=O 253633149 FLPJFBVKUMSCOB-HKIKYGAMSA-N 442.337 3.863 50 1 IHGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4cccnc4)cc3)o2)c(OC)c1 473247433 CYHPXAVOQFKUQQ-AFUMVMLFSA-N 429.436 3.580 50 1 IHGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CC(N)=O 587687045 FFGQIYDNPJYGNP-OVWNDWIMSA-N 442.760 3.508 50 1 IHGF COc1ccc2c(c1OC)[C@@](CCl)(CCN1C(=O)c3ccccc3C1=O)N(C)[C@@H](C)C2 962572741 QGPCANZNDVGESD-OWJWWREXSA-N 442.943 3.701 50 1 IHGF CC(C)(C)OC(=O)Nc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1 1857595372 WQACRYSVDWWUMR-UHFFFAOYSA-N 441.509 3.810 50 1 IHGF COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c1OCC(C=O)=C2 587886197 KTADKSICMLVFMF-UHFFFAOYSA-N 430.287 3.687 50 1 IHGF CC(C)(C)OC(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705300 VUSCADLEJAIFMZ-IGCXYCKISA-N 425.806 3.608 50 1 IHGF Cc1ccccc1-n1c(C)nc2c(OCC(=O)N/N=C\c3ccccc3F)cccc2c1=O 82157895 WLSDQAZINZLQSO-VYYCAZPPSA-N 444.466 3.671 50 1 IHGF C=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 169359763 HVJYSBVFYIUHFA-ACESQOTJSA-N 447.535 3.911 50 1 IHGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3c(N)cc4nc5ccccc5nc4c32)cc1OC 1772593765 DFDANSIJJVOEGZ-HXUWFJFHSA-N 425.448 3.601 50 1 IHGF CC=C[C@H](O)C[C@H](Br)[C@@H]1C[C@H](Cl)[C@@H](C[C@@H](O)C=C=CBr)O1 2356791814 IZFZRVDQJDDJAN-HUXYPEIDSA-N 444.591 3.657 50 1 IHGF Cc1cc2c(cc1C)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 587748721 YCGJRSDHWMZMQA-QKVFXAPYSA-N 431.305 3.744 50 1 IHGF Cc1ccnc2c1CCN[C@]2(CCl)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 963075122 ZSGOMXCPDKDIJK-OPAMFIHVSA-N 439.984 3.595 50 1 IHGF C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N[C@@H]1SC(=S)S[C@@H]1CC[S@](=O)C1 2356704685 DLELPBQVHWHPES-BEEMXUSDSA-N 439.766 3.741 50 1 IHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])cc1C(=O)Cl 587878747 SDFDVOROMPHQBP-UHFFFAOYSA-N 425.655 3.991 50 1 IHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Br)cnc2[nH]1 587009823 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IHGF CCOC(=O)/C(C#N)=C/c1ccccc1-c1c(C(=O)OC)cc(OC)c(OC)c1OC 103228595 DHYPOJXOZBTBRY-RVDMUPIBSA-N 425.437 3.636 50 1 IHGF NC(=O)[C@H](Cl)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F 587894602 QNHQWPUECCEMNA-GOSISDBHSA-N 427.690 3.608 50 1 IHGF O=CC1=COc2cc(F)ccc2[C@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963172938 OONDWBSFUIULII-QFBILLFUSA-N 441.764 3.816 50 1 IHGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CBr)([C@@H]2CCOC2)N1 963175973 HGDODAMQFVAVOG-VPJDZLOFSA-N 442.659 3.584 50 1 IHGF NC(=O)CCc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546771 XPDIQEZDZGPBJB-ZJSXRUAMSA-N 437.879 3.906 50 1 IHGF N#C/C(=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F)C(=O)O 587894454 KUAGOLKCMXJNRL-CXUHLZMHSA-N 431.250 3.834 50 1 IHGF Cc1cccc(N2CCN(CCNCc3ccc(CN4CCCCC4)o3)C2=C(C#N)C#N)c1 36338474 CBSOWPKVYMMOGX-UHFFFAOYSA-N 444.583 3.744 50 1 IHGF COc1cccc([C@H]2C/C(=N\NC(=O)C(=O)N[C@H](C)c3ccccc3)c3ccccc3N2)c1 13779249 KCRLNXQTWQLXKK-IDJQOVPNSA-N 442.519 3.950 50 1 IHGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 40914190 LCDIUIWMRAIVNG-QMHKHESXSA-N 432.476 3.921 50 1 IHGF Cc1cc(NC(=O)CCl)sc1-c1nnc2sc(-c3cccc([N+](=O)[O-])c3)nn12 28826958 RXGOWNXDRJHZDW-UHFFFAOYSA-N 434.890 3.975 50 1 IHGF COC(=O)C(C)(C)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539990 ZFEIOMHEXKJDJU-QRWLVFNGSA-N 435.270 3.687 50 1 IHGF Cc1nonc1[C@@]1(CBr)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951655 IHKHBVWBENOSKS-KRWDZBQOSA-N 446.267 3.687 50 1 IHGF C=C1C(=O)O[C@H]2[C@H]1CCC(/C=N/NC(=O)Nc1ccc(OC)cc1)=CCC[C@@]1(C)O[C@@H]21 1911586369 AUKMHLNKGDLNTB-WGCMGFOASA-N 425.485 3.558 50 1 IHGF CN(C)Cc1cc(Nc2cccc(N(CCCl)CCCl)c2)n2ncc(C#N)c2n1 1772606140 SCZPPIRPGVCDRP-UHFFFAOYSA-N 432.359 3.690 50 1 IHGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1/C=C/c1ccccc1 55805357 NBCFBWKZAAIEQX-XMUSRXTASA-N 432.549 3.605 50 1 IHGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc(N)cc43)[nH]c2cc1OCCN(C)C 1654941 TYFZAGUDLRWVLQ-HNNXBMFYSA-N 442.947 3.682 50 1 IHGF CO[C@@H]1O[C@H](CBr)[C@@H]2OC3(CCCCC3)O[C@H]2[C@H]1OCc1ccccc1 253680373 CADSPMAYVWVCHB-RHQZKXFESA-N 427.335 3.782 50 1 IHGF Cc1c(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)oc2ccccc12 618008601 IHFZJQSJWXDMPP-UHFFFAOYSA-N 449.642 3.653 50 1 IHGF CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]3(C)[C@]2(C(=O)CCl)O1 253635799 FXFIRGYQADSTIQ-DSUDFWJPSA-N 436.976 3.797 50 1 IHGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@H](C[C@@H]2Cl)[C@H](Br)C[C@H]2O[C@@H]12 2356657554 KKVLDYZJUNUWNP-OWITYSCQSA-N 442.575 3.913 50 1 IHGF Cc1ccc(NC(=O)/C(C#N)=C\Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 473121157 FSMQLBUKDWWBRF-SSZFMOIBSA-N 437.481 3.550 50 1 IHGF COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(O)ccc2[nH]1)C[C@H]3CCl 49114265 YXPDNMJLWRJDBF-LLVKDONJSA-N 439.855 3.830 50 1 IHGF C[C@@H]1CC[C@@H]2[C@](C)(Br)[C@H](Nc3ncccn3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101266475 XCBGOGYSUFZFIG-ULQYXPCXSA-N 440.338 3.614 50 1 IHGF N#C/C=C/S(=O)(=O)c1ccc(C2(C(=O)NCc3ccc(Cl)cc3)CCOCC2)cc1 147604117 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O=C(CCCl)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545640 RXYMTXALBFLQMS-URXFXBBRSA-N 437.879 3.994 50 1 IHGF CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)ccc21 963219305 HLUPIMOONRTFKR-BPLCPZIWSA-N 449.938 3.614 50 1 IHGF C/C(=N/NC(=O)c1cc(I)ccc1O)c1cc2ccccc2n1C 96903366 JJDAIVVNGKBPAM-JAIQZWGSSA-N 433.249 3.643 50 1 IHGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CNC(=O)CBr)(c2ccccc2)N1 962947703 OFRZVWKRLITOIW-ZHRRBRCNSA-N 426.358 3.847 50 1 IHGF Cc1ccc(S(=O)(=O)[N@]2[C@@H](P(=O)(c3ccccc3)c3ccccc3)[C@]2(C)C#N)cc1 1857617292 SPYBDJDKBRKKGH-SONWIMMPSA-N 436.473 3.622 50 1 IHGF O=C1[C@@H](Cl)[C@H](c2cccc(Br)c2)N1/N=C/CCn1nnc2ccccc21 66258815 WJKMFISAPLDTOQ-UEASENPJSA-N 432.709 3.761 50 1 IHGF Cc1ccc2[nH]c3c(c2c1)CC[C@]1([C@@H]2C(=O)Nc4ccc(Cl)cc42)NC(=O)C(C#N)=C31 1857647397 QJORRSGWUZXXIM-RDPSFJRHSA-N 428.879 3.958 50 1 IHGF COC(=O)C1=CN(C2CCCCC2)[C@]2(c3ccccc3)c3ccccc3C(=O)OC(=O)[C@@H]12 254201027 SLJMMFIQKYFVQJ-ATIYNZHBSA-N 431.488 3.949 50 1 IHGF C=CC(C)(C)c1[nH]c2ccc(C[C@@H](Cl)C(C)(C)O)cc2c1C=C1NC(=O)[C@H](C)NC1=O 2356647720 VIKMWNKSZYUXNW-ORAYPTAESA-N 443.975 3.528 50 1 IHGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cnccn2)[C@@H]1c1ccc(F)cc1 587323584 RWSCFZRHDYECQO-UYAOXDASSA-N 429.245 3.971 50 1 IHGF COc1cccc([C@H]2C/C(=N\NC(=O)C(=O)N[C@@H](C)c3ccccc3)c3ccccc3N2)c1 5582615 KCRLNXQTWQLXKK-GPVILSQPSA-N 442.519 3.950 50 1 IHGF COC(=O)Nc1nc2ccc(C(=O)c3ccccc3C(=O)NNc3ccccc3)cc2[nH]1 220925284 ADPVMTPAEZGGRY-UHFFFAOYSA-N 429.436 3.729 50 1 IHGF Cn1c(=O)oc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587543846 LVGITLDWRZSAGE-AUSIDOKSSA-N 437.835 3.933 50 1 IHGF N#Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 1857584354 DVQWPRKENVGENG-CCVNUDIWSA-N 446.894 3.671 50 1 IHGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@H](OC(C)=O)[C@@H](Cl)C[C@@H]1OC(C)=O 2356434898 IZUAHIQVPWUNPB-UGCZWRCOSA-N 449.769 3.758 50 1 IHGF Cc1cc(CCN2CCCC2)c(C)c2c1NC(=O)/C2=N\NC(=O)[C@H](C)c1ccc(F)cc1 72178892 WKMXMQXTNQRDHL-QGZVFWFLSA-N 436.531 3.657 50 1 IHGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ncccn3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 169370915 XCBGOGYSUFZFIG-KMQZSKAMSA-N 440.338 3.614 50 1 IHGF CCOC(=O)/C(C#N)=C/C(=C(\O)c1cc(OC)c(OC)c(OC)c1)[n+]1cc(C)cc(C)c1 205849010 LQCHUNGNXZYMJT-UHFFFAOYSA-O 439.488 3.514 50 1 IHGF O=C(CCl)Nc1ccccc1[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962769597 SITHMEAKYBBYGN-GBXCKJPGSA-N 438.886 3.894 50 1 IHGF N#CC1=C(c2c(-c3cc4ccccc4s3)n(CCCN)c3ccccc23)C(=O)NC1=O 34800326 FFKRSNGYONHGEV-UHFFFAOYSA-N 426.501 3.805 50 1 IHGF COc1ccc(OC(=O)N(Nc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 653785927 PXYGMEGMGSNVEU-UHFFFAOYSA-N 428.466 3.921 50 1 IHGF CS(=O)(=O)NCCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533668 UOYKKSPOHDGVQX-QHCPKHFHSA-N 447.984 3.757 50 1 IHGF CCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)COc2ccccc2)c1N1CCCC1 13491850 IQUFVLKUSYDXDZ-MRXNPFEDSA-N 428.920 3.895 50 1 IHGF COc1ccccc1[C@H]1[C@H](Cl)C(=O)N1c1nnc(Cn2c(C)nc3ccccc32)s1 43024871 VBCHODVNBXOVSQ-OALUTQOASA-N 439.928 3.948 50 1 IHGF CCOc1cc(C(=O)N(C)CCSSCCN(C)C)cc(OCC)c1OCC 618009634 GFVJZKNLPGBTPK-UHFFFAOYSA-N 430.636 3.898 50 1 IHGF C=CCn1c(=O)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(C)ccc21 98085000 NVVROCXLWBUVKK-NRFANRHFSA-N 449.466 3.637 50 1 IHGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cncnc2)[C@@H]1c1ccc(F)cc1 587319881 DGFXGWNTXSCBSB-QUCCMNQESA-N 429.245 3.971 50 1 IHGF Cc1ccc2[nH]c(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Br)cc2c1 58582051 BHKSAPQWDKTJIH-UHFFFAOYSA-N 427.306 3.708 50 1 IHGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C(=O)OCC)no1)CC2=O 587455519 CMSPQWIMZUDULM-LJQANCHMSA-N 438.274 3.765 50 1 IHGF CN(C)CCSSCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 618008876 NDJUUUWMULSIBK-GOSISDBHSA-N 441.663 3.572 50 1 IHGF Nc1c(C(=O)NN=Cc2cc(-c3ccco3)nn2-c2ccccc2)cnn1-c1ccccc1 957994842 RAPJRCBDAYJQNR-UHFFFAOYSA-N 437.463 3.664 50 1 IHGF CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2=C(C#N)[C@@H]3CCC[C@H]3S2)c1 169701127 OOIQXCGMULMSHT-SUMWQHHRSA-N 439.990 3.751 50 1 IHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccnc(Br)c2[nH]1 587009330 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DXONDVJHTNZNPK-OAQYLSRUSA-N 431.535 3.823 50 1 IHGF CCCc1nn(C2CCCC2)c2c1[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857652366 HRHZUGNJIWKXTK-SFHVURJKSA-N 439.472 3.791 50 1 IHGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cnccn2)[C@H]1c1ccc(F)cc1 587323579 RWSCFZRHDYECQO-AZUAARDMSA-N 429.245 3.971 50 1 IHGF CCOC(=O)C(C)(C)[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 197977459 GDXPOTYPGPFEDE-JOCHJYFZSA-N 428.645 3.903 50 1 IHGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccncn2)[C@@H]1c1ccc(F)cc1 587323725 SOSZNKGUHNPOAI-UYAOXDASSA-N 429.245 3.971 50 1 IHGF COc1cc2c(cc1OC)[C@](CCl)(c1cn(-c3ccc(F)cc3)nn1)N(C)[C@H](C)C2 962637813 UCSIQCPBJPJFGO-JLCFBVMHSA-N 430.911 3.782 50 1 IHGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@@]1([C@@H]1C(=O)Nc2ccc(Cl)cc21)CC3 1857641249 LGGSHHWHOCXFHT-RDPSFJRHSA-N 428.879 3.958 50 1 IHGF N[C@@H]1CN(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC[C@H]1Cl 202911822 IVDRVWFOHOJDBW-BXUZGUMPSA-N 449.914 3.880 50 1 IHGF Cc1nonc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324079 VYHKONBFEWELFA-VQIMIIECSA-N 433.233 3.872 50 1 IHGF CN(C)CCSSCCCn1cc(CNC(=O)c2cccc3ccccc23)nn1 618010381 WJBCSKXMHQBCOX-UHFFFAOYSA-N 429.615 3.694 50 1 IHGF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O 587428443 NBOSKJTUEUWNNR-UVFQYZLESA-N 435.245 3.715 50 1 IHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)NC(=O)CO3)N1 587685092 NSOTXHMECPNXSY-GIGQVBGESA-N 439.712 3.936 50 1 IHGF CC(C)OC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1N1CCOCC1 13675507 KNKIEBBPCJIPRM-LJQANCHMSA-N 428.920 3.813 50 1 IHGF N#CC1=C(NCN2CCCCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 53313691 HDWQAMRIXRRWBR-RPWUZVMVSA-N 448.615 3.714 50 1 IHGF Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 653899397 SJMROSRHSALMDO-QQTULTPQSA-N 449.308 3.930 50 1 IHGF C=C(OCCC[Si](OC)(OC)OC)[C@@]1(C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962623429 KHQUTPRZAJSWKZ-AOMKIAJQSA-N 439.625 3.594 50 1 IHGF CCOC(=O)C[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319410 BDPLHFTYRLMRRU-AZUAARDMSA-N 437.261 3.977 50 1 IHGF Cc1c(Cl)c(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 85635060 UHFQTECWVLYLBG-LFTOQUJUSA-N 434.916 3.917 50 1 IHGF in-man CC(C)(C)c1cc(S(=O)(=O)/C=C/C#N)ccc1OCC(=O)NCc1ccc(F)cc1 147510705 OBLJMAUVUHAISS-UUILKARUSA-N 430.501 3.629 50 1 IHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCl)(c2cccs2)N1 587845700 FMSXDNOVZBDPKJ-BTDLBPIBSA-N 431.758 3.783 50 1 IHGF N#CC1=C(N)OC(c2ccccn2)=C([S@](=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1857756368 JVMPAJWNHNSYPQ-MQFAKOPTSA-N 444.472 3.974 50 1 IHGF CC(=O)NCc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587685046 NMRNQTACYSBTNS-XTZNXHDOSA-N 429.717 3.834 50 1 IHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2O)s1 43013408 HSSABKLOLHKREJ-ROUUACIJSA-N 425.901 3.645 50 1 IHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2ccccc2O)s1 43013412 HSSABKLOLHKREJ-MSOLQXFVSA-N 425.901 3.645 50 1 IHGF CCCCCOc1cc2nc(CCNC(=O)CBr)[nH]c2cc1Br 586970750 FTVWCFDNNMKAOA-UHFFFAOYSA-N 447.171 3.948 50 1 IHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1coc2ccccc2c1=O 95809759 WMJZOPFKKFLCFE-MFKUBSTISA-N 435.480 3.928 50 1 IHGF CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1ccc(S(C)(=O)=O)cc1)CC2=O 587482821 DXONDVJHTNZNPK-NRFANRHFSA-N 431.535 3.823 50 1 IHGF CC(=O)[C@H](Cl)[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963202544 ZTPGSTOWFOGBHK-GVXVVHGQSA-N 438.151 3.912 50 1 IHGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3CCN2)cc(Br)c1OC 1857769611 OQBZSFRSWPVPPD-QGZVFWFLSA-N 428.286 3.652 50 1 IHGF CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1 253635805 FXFIRGYQADSTIQ-RHZLTCDUSA-N 436.976 3.797 50 1 IHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(N3CCCC3=O)c1)O2 587374084 NVCSZTBODKVAJT-NRFANRHFSA-N 429.314 3.960 50 1 IHGF NC(=O)c1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587497032 BMZAVSLIHITZJD-OAQYLSRUSA-N 430.298 3.626 50 1 IHGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccncc2)N1 963172515 DBCLEMVRHAOVFN-ZBFHGGJFSA-N 449.654 3.991 50 1 IHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2cccc(O)c2)s1 43014984 PYYYZSXLGPZSSB-MSOLQXFVSA-N 425.901 3.645 50 1 IHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)c3cccc([N+](=O)[O-])c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911582320 XHXXQXNHXSOXNQ-JMRKLLIOSA-N 433.457 3.960 50 1 IHGF C=C1CCC=C(C=O)CC[C@@H]2C([C@H](OC(C)=O)C(=O)CC(C)C)=CO[C@H](OC(C)=O)[C@H]12 2356789475 DIWGIYXUWLTSFM-OUJCMCIWSA-N 432.513 3.825 50 1 IHGF C=C[C@@](C)(CC/C=C(\C)CC[C@]1(C)C(C=O)=CCC[C@H]1C)S(=O)(=O)CCN=C(N)N 205655276 LREQFFZTNFHDAQ-LNXNBQQVSA-N 437.650 3.688 50 1 IHGF CC(C)(NC(=O)CCl)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587009470 HCPKFBJQPVULDX-UHFFFAOYSA-N 441.340 3.607 50 1 IHGF CCCc1c(O)ccc2c1O[C@](CCl)([C@H](C#N)C(=O)NCc1ccccc1)CC2=O 587457740 CBETTYFDOHKOOF-WZONZLPQSA-N 426.900 3.744 50 1 IHGF COC(=O)Cc1ccc(O[C@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 103179136 ARSPYKRMXHOORJ-OJLBCTPKSA-N 432.513 3.989 50 1 IHGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccccn4)cc3)o2)c(OC)c1 473249050 SDTBZXQVNKZUSS-AFUMVMLFSA-N 429.436 3.580 50 1 IHGF CN(C)CCSSCCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 618009379 WTIKDEZARNNGFT-KRWDZBQOSA-N 427.636 3.702 50 1 IHGF CC(C)(C)OC(=O)[C@H](Cl)[C@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705301 VUSCADLEJAIFMZ-IIYDPXPESA-N 425.806 3.608 50 1 IHGF CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc3ccccc3s2)cc1 1857763212 SNVFRXVEHALBNH-UHFFFAOYSA-N 427.551 3.739 50 1 IHGF COc1cc(C(=O)Nc2cccc(NC(=O)[C@@H](C)Br)c2)cc(OC)c1OC 28954619 QWGBNAFBNBHJNE-LLVKDONJSA-N 437.290 3.687 50 1 IHGF CC[C@H](C)[C@H](N)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43123081 KPTFKWIVZRQOTC-JCGORJLMSA-N 434.584 3.837 50 1 IHGF COc1cc(COc2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2)cc(OC)c1OC 473167080 GNRGUWKTBLGDMQ-AFUMVMLFSA-N 436.464 3.761 50 1 IHGF COc1ccc(NC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 1857595724 KGZVIHSEVJVYBF-UHFFFAOYSA-N 436.468 3.549 50 1 IHGF CN(/N=N/c1nc(OCc2ccccc2)c2nc[nH]c2n1)C(=O)c1ccc([N+](=O)[O-])cc1 28637698 ZJOYSNSLVZTZAD-OCEACIFDSA-N 432.400 3.611 50 1 IHGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ccncc2)N1 963172504 DBCLEMVRHAOVFN-GDBMZVCRSA-N 449.654 3.991 50 1 IHGF Cc1ccc(Oc2nc3ccccc3cc2/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1 169311898 RWPGVTRJOVHHSX-BRJLIKDPSA-N 444.451 3.899 50 1 IHGF Cc1cccc2c1[C@@](CCl)(c1cnn(C)c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905669 ZLKLLWDRHACDRN-VGOFRKELSA-N 433.936 3.847 50 1 IHGF Cc1ccc2[nH]c3c(c2c1)CC[C@@]1([C@H]2C(=O)Nc4ccc(Cl)cc42)NC(=O)C(C#N)=C31 1857647396 QJORRSGWUZXXIM-HYBUGGRVSA-N 428.879 3.958 50 1 IHGF CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)o2)cc1 1857647846 YVQJGLMSJASIEJ-UHFFFAOYSA-N 437.521 3.785 50 1 IHGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NC2CCCCC2)c2ncccc2c1 1857643534 FTWPOAUVWBUZQE-MRXNPFEDSA-N 442.564 3.670 50 1 IHGF COc1cccc(C(=O)C[C@@H]2C(C#N)=C(N)Oc3c(OC)cc(Br)cc32)c1 1857772494 IDUWPNGPJLPBOS-AWEZNQCLSA-N 429.270 3.909 50 1 IHGF CN(C)[C@@H](CCOC[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C 2356647924 ZJHVGYWBNMZWCG-IRXDYDNUSA-N 437.802 3.773 50 1 IHGF COC(=O)c1ccc(C(=O)OCC[C@@H]2CCC[C@@H]3CC[C@@]4(C)OO[C@]23[C@@H](OC)O4)cc1 100861363 KYULMMAOQVPRQZ-BUUXRYEFSA-N 434.485 3.636 50 1 IHGF CC(=NNC(=O)c1cc(I)ccc1O)c1cc2ccccc2n1C 261119749 JJDAIVVNGKBPAM-UHFFFAOYSA-N 433.249 3.643 50 1 IHGF O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 103287483 WVBBXXJUMWWINI-AQHIEDMUSA-N 428.807 3.801 50 1 IHGF C=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 28825995 HVJYSBVFYIUHFA-SSGKUCQKSA-N 447.535 3.911 50 1 IHGF CN(C)/C=C(/C#N)C(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880206 TXMKYLAEKQAZOV-SDXDJHTJSA-N 440.330 3.856 50 1 IHGF CC(C)(C)OC(=O)[C@H](Cl)[C@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705299 VUSCADLEJAIFMZ-GDZNZVCISA-N 425.806 3.608 50 1 IHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCl)(c2cccs2)N1 587848986 QPOIBSNQSGODPJ-BMLIUANNSA-N 431.758 3.783 50 1 IHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCl)(c2ccccc2)N1 587682679 DFSFELNQXCROEO-HXPMCKFVSA-N 425.729 3.721 50 1 IHGF CC1(C)OC2=C(C(=O)/C(=N\NC(=O)c3ccncc3)c3ccccc32)[C@@H]1Nc1ccccc1 1857599772 HASRUFGTTIBDOL-GDAFIIBNSA-N 438.487 3.799 50 1 IHGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 40914193 LCDIUIWMRAIVNG-MWTRTKDXSA-N 432.476 3.921 50 1 IHGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ncccn3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101266476 XCBGOGYSUFZFIG-SVTMPTOVSA-N 440.338 3.614 50 1 IHGF C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542583 HNPJVGZGUXIYAG-PFTWBPNJSA-N 437.879 3.993 50 1 IHGF COC(=O)C1=C(CCC[C@H](C)O[Si](C)(C)C(C)(C)C)NC(=O)N2[C@@H](CCO)CC[C@H]12 195460638 BLNMBDKGZWUKCH-LZLYRXPVSA-N 440.657 3.933 50 1 IHGF CCOC(=O)C1=C(C=O)C(=CCC(C)C)c2c(cc3c(c2OC)C[C@H](C(C)(C)O)O3)O1 2356735486 CDJZAOLSYBYKKT-LJQANCHMSA-N 430.497 3.608 50 1 IHGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@H](Cl)C[C@H](O)[C@H]2C[C@@H](Br)[C@H]1O2 2356791105 GKGHVIZKOBASPG-VTOKHPICSA-N 442.575 3.673 50 1 IHGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ncn2C)cc(Br)c1OC 40789570 VDQIPHZGVJIVPD-MRXNPFEDSA-N 441.285 3.571 50 1 IHGF CCc1ccc2c(c1)[C@]1(C(C=O)=CO2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962675809 WYPHKNZTRDUNHZ-FTJBHMTQSA-N 428.488 3.615 50 1 IHGF O=C(N/N=C/[c-]1cc(Cl)cc([N+](=O)[O-])c1=O)c1cc(-c2ccccn2)nc2ccccc12 169692263 VSEMDLHFAYBDBG-BRJLIKDPSA-N 446.830 3.701 50 1 IHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587412418 CEJXUEDICBDFIE-DJJJIMSYSA-N 434.242 3.650 50 1 IHGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](CBr)(c2ccc(F)cc2F)N1 963227794 HCWUCFVANPZAGC-UYAOXDASSA-N 433.252 3.750 50 1 IHGF Cc1ccc2[nH]c3c(c2c1)CC[C@]1([C@H]2C(=O)Nc4ccc(Cl)cc42)NC(=O)C(C#N)=C31 1857647398 QJORRSGWUZXXIM-YKSBVNFPSA-N 428.879 3.958 50 1 IHGF CC(=O)OC/C(=C\CC/C(C=O)=C\C=O)CC/C=C(/CC/C=C(\C)CO)COC(C)=O 238762296 MXMTWSSUQVOUEA-DXDOXGPKSA-N 434.529 3.569 50 1 IHGF NNC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1 299827949 PELRRIOYIGYKPB-XUTJKUGGSA-N 430.556 3.964 50 1 IHGF COc1cc(NC(=O)c2cccc(NC(=O)[C@@H](C)Br)c2)cc(OC)c1OC 28954481 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NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1cccc(Cl)c1 28355019 LBRVHCWBOPPGKR-UHFFFAOYSA-N 442.953 3.850 50 1 IHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)NC(=O)CO3)N1 587686877 XUYSCTLPMMRKDN-OVWNDWIMSA-N 439.712 3.936 50 1 IHGF C[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@@H](NC(=N)N)CSSCC[C@@]2(C)[C@]31CC4=O 2356538555 IOXFPGFEQLJPPS-ACBWSXBVSA-N 437.675 3.724 50 1 IHGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ncccn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 299821154 XCBGOGYSUFZFIG-ABJZQPQWSA-N 440.338 3.614 50 1 IHGF CN(C)C[C@@H](CCSS(=O)(=O)c1ccccc1)SS(=O)(=O)c1ccccc1 103292690 NIRKBFKQVPMVAQ-MRXNPFEDSA-N 445.653 3.551 50 1 IHGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3cc(O)ccc3O)cc2)o1 1772575004 BKQGBODOXYUFNS-ZMOGYAJESA-N 430.420 3.587 50 1 IHGF COc1ccc(/C=N/NC(=O)c2ccc(-c3nnc(-c4ccccc4O)o3)cc2)cc1O 473169277 MWWMBWAQYXZKMM-ZMOGYAJESA-N 430.420 3.587 50 1 IHGF CC1(C)[C@@]23C[C@@H](Br)[C@@](C)(Cl)C[C@@H]2O[C@@]1(O)C(Br)=C[C@@]3(C)O 2356796075 MTUNQVBWLJZLBP-BIOYFRDJSA-N 444.591 3.685 50 1 IHGF 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445.328 3.975 50 1 IHGF CCOC(=O)C[C@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539693 XMANPCVYYCVJAS-GIJMVEMTSA-N 435.270 3.829 50 1 IHGF CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 44221845 RQSMYLDENWYOJU-KZKAQZJJSA-N 430.522 3.808 50 1 IHGF COc1ccc(C[C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c(Br)c1OC 40592646 SZMWLVBWRZMTLK-HNNXBMFYSA-N 444.329 3.945 50 1 IHGF O=C(O)c1cccc([C@]2(CBr)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962764981 LRDOECZJNGCWMA-QAPCUYQASA-N 442.231 3.669 50 1 IHGF Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(CBr)cc1 169706111 PSJQJUANSGSYBQ-UHFFFAOYSA-N 438.333 3.536 50 1 IHGF COc1ccc([C@@H]2O[C@]34C[C@@H](c5ccc(OC)c(OC)c5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96934067 MZGCBANUNXCGCQ-ZQRMPTRQSA-N 440.448 3.815 50 1 IHGF CCOc1cc(/C=C\c2nc3ccc(C(=O)NN)cc3[nH]2)cc(Br)c1OC 586978309 NVVHUEKBNSUJJC-DAXSKMNVSA-N 431.290 3.507 50 1 IHGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CBr)(c2cscn2)N1 962697075 KVBRGEIKNWJHHH-SMDDNHRTSA-N 439.228 3.538 50 1 IHGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@@H](O)CI)[C@@H]1CCC2=O 13822019 FLPJFBVKUMSCOB-WKSOIMLMSA-N 442.337 3.863 50 1 IHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC)c(OC)c1OC)[C@@H](C2)C3=O 587414547 NACGRSBSSQZBRZ-QKKBWIMNSA-N 449.297 3.759 50 1 IHGF CC(C)C[C@H](NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)C(=O)NN 43020196 DEXDHOYIYWAGPW-ZYTNRUGMSA-N 434.584 3.837 50 1 IHGF CC(C)c1nn(C)c2c1[C@](CBr)(c1cc3ccc(F)cc3oc1=O)NCC2 962920001 QHWQTLQIOXDRGG-FQEVSTJZSA-N 434.309 3.573 50 1 IHGF Cc1ccc([C@H]2[C@H](Cl)C(=O)N2C(=O)NCCCn2ncc3ccc([N+](=O)[O-])cc32)cc1 199898336 FSONZIUFECVOQL-OALUTQOASA-N 441.875 3.544 50 1 IHGF O=C(N[C@@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)c1cccnc1 170101005 ABEDQOQTISCLFO-QHCPKHFHSA-N 445.328 3.519 50 1 IHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)CCC(=O)N3C)O2 587376699 XYVGTPSQKQZCAK-NRFANRHFSA-N 429.314 3.742 50 1 IHGF COc1ccc(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccccc2OC)cc1 653803342 ZQUXMBZWIDYSOY-UHFFFAOYSA-N 428.466 3.921 50 1 IHGF COc1ccc([C@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@H](c2ccc([N+](=O)[O-])cc2)O4)cc1 96934080 KMOMVBIEAMQJIO-KIZRIRGWSA-N 425.393 3.706 50 1 IHGF CC1(C)C(=O)CC[C@H](Br)[C@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962674706 VWJSCHJNBVYLNR-WQTXXOFMSA-N 445.357 3.681 50 1 IHGF CC(=O)C=CC[C@H](Br)[C@@H]1C[C@H](Cl)[C@H](C[C@H](O)C=C=CBr)O1 2356788448 CCJFRYFGDRFMCR-BDOKWLIBSA-N 442.575 3.865 50 1 IHGF O=C(NN=C1C=CC(=NOS(=O)(=O)c2ccccc2)C=C1)c1cc2ccccc2cc1O 2066658 RXNFTGOAZGNBAW-UHFFFAOYSA-N 447.472 3.519 50 1 IHGF O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)Nc1nnc(COc2ccc3ccccc3c2)o1 53312606 GMJAVGSRXPWLDI-UUYOSTAYSA-N 432.396 3.866 50 1 IHGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(C#N)c(O)nc2CC[C@H]1Br 587461789 ZCBIKFMOPUITMN-WIYYLYMNSA-N 443.297 3.887 50 1 IHGF Cc1nn(C)cc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673590 ONZBLKRYZKPUEE-FVMDXXJSSA-N 431.147 3.803 50 1 IHGF O=C(CCl)Nc1ccc2c(c1NC(=O)Cc1ccccc1)C(=O)c1ccccc1C2=O 82151323 REWCKGKIEGSXQH-UHFFFAOYSA-N 432.863 3.821 50 1 IHGF N#Cc1cccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCCl)c1 1772633163 GLXKARVGMRHWCG-PDGJWGCVSA-N 436.021 3.831 50 1 IHGF CCCn1nc(-c2cn(Cc3ccc(OC)c(OC)c3)c3ccccc23)cc1C(=O)NN 73141033 DOQYCTXNRVQVTA-UHFFFAOYSA-N 433.512 3.584 50 1 IHGF C[C@@H]1CC[C@H]2[C@](C)(COC(=O)c3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1772623129 REJUHDLVHBKMOW-IUFPPZTPSA-N 433.457 3.756 50 1 IHGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@H](O)CI)[C@@H]1CCC2=O 3927302 FLPJFBVKUMSCOB-BRMIGGSTSA-N 442.337 3.863 50 1 IHGF CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](CO)NC(=O)CBr 44431266 ZVYWFAIJXALUFO-GGPKGHCWSA-N 438.447 3.671 50 1 IHGF CCOc1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)ccc1O 95809018 BVOKZTGNKIWXTO-LFVJCYFKSA-N 427.501 3.926 50 1 IHGF C[C@H]1[C@@H](Oc2ccc(OCC(=O)O)cc2)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103179129 GHFJFXWHGJIJFX-LNWHELQXSA-N 434.485 3.737 50 1 IHGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(OC)c2c1 587618804 VXBXEQWQFPQFMA-UHFFFAOYSA-N 425.850 3.633 50 1 IHGF CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415475 TWFCNLFXLCOTJM-MFMILTCTSA-N 431.282 3.665 50 1 IHGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCl)(c2nc3ccccc3[nH]2)N1 962705195 VAVZZLROFDBLLR-CRAIPNDOSA-N 427.785 3.802 50 1 IHGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cnccn2)[C@H]1c1ccc(F)cc1 587323580 RWSCFZRHDYECQO-ICSRJNTNSA-N 429.245 3.971 50 1 IHGF N#CC1=C(N)OC(c2ccccn2)=C([S@](=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 1857762404 QVSPBXRCKPSAEO-QTYPKTMWSA-N 444.472 3.974 50 1 IHGF CC1(C)O[C@]2(C)[C@@H]3C[C@H](Br)[C@@](C)(Cl)C[C@@H]3O[C@]2(O)C[C@@H]1Br 2356788911 CQMSSQHOMMGHOC-ZGKPCNTISA-N 446.607 3.966 50 1 IHGF C=CCn1c(=O)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(C)ccc21 103163902 NVVROCXLWBUVKK-OAQYLSRUSA-N 449.466 3.637 50 1 IHGF C=C(OCCC[Si](OC)(OC)OC)[C@]1(C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962623436 KHQUTPRZAJSWKZ-OPAMFIHVSA-N 439.625 3.594 50 1 IHGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCl)c1cc2c(cc1Cl)NC(=O)CO2 963631400 DGTZTTXRLULFFT-WIUDPPPLSA-N 437.323 3.705 50 1 IHGF COC(=O)C(C)(C)[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673067 JVUZQDZJRKYRDX-ABKXIKBNSA-N 437.147 3.912 50 1 IHGF CC1=C[C@@H]2[C@H](CC(C=O)=C[C@@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)[C@H](C)C(C)C)C[C@H](C)[C@]23O)C1=O 2356384588 MKFQXHWUQPRGQU-FXBOPRLVSA-N 428.569 3.894 50 1 IHGF CC(=O)Oc1ccc2c(c1)OC=C(C=O)[C@]21c2ccsc2CCN1Cc1cccnc1 963005075 GLQZSYWEUKCOCY-XMMPIXPASA-N 432.501 3.846 50 1 IHGF COC(=O)C(C)(C)[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587674512 XIDJHRQDJBUWIL-XXFAHNHDSA-N 437.147 3.912 50 1 IHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(N3CCCC3=O)c1)O2 587374086 NVCSZTBODKVAJT-OAQYLSRUSA-N 429.314 3.960 50 1 IHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2cccc(O)c2)s1 43014982 PYYYZSXLGPZSSB-QZTJIDSGSA-N 425.901 3.645 50 1 IHGF CO[C@H]1C[C@@]2(C)[C@@H](C[C@@H](I)[C@@H]2O)[C@@H]2C=Cc3cc(O)c(F)cc3[C@H]12 27423878 KVXXDRIASJJCBZ-KHDPRRNBSA-N 444.284 3.867 50 1 IHGF FC(F)(F)c1cccc(-n2cc([C@]3(CCl)NCCc4nc5ccccn5c43)nn2)c1 962988493 OSAWHOADTDFMIM-IBGZPJMESA-N 432.837 3.562 50 1 IHGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(N4CCCC4=O)c1)[C@@H](C2)C3=O 587414207 LNMZERCKIRXEIC-JTSKRJEESA-N 442.309 3.860 50 1 IHGF C[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(N4CCOCC4)nc(-c4ccccc4F)c3CC[C@H]12 1911577277 UPNGVHVWXSPSGY-MJECEPGDSA-N 432.499 3.608 50 1 IHGF O=C(O)c1cccc2c(CCN3C(=O)c4ccccc4C3=O)c(CBr)[nH]c12 587636994 SACKKNHDBUEULB-UHFFFAOYSA-N 427.254 3.600 50 1 IHGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCl)(c2nc3ccccc3[nH]2)N1 962705199 VAVZZLROFDBLLR-QAPCUYQASA-N 427.785 3.802 50 1 IHGF CC(C)n1nc(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2c1=O 103687537 UIRQXTCOJIUPFE-MNDPQUGUSA-N 429.436 3.503 50 1 IHGF N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 9993482 UIPMKAURXIMOAD-IERDGZPVSA-N 426.455 3.642 50 1 IHGF CCOCC(=O)N/N=C/C(=O)NCCCCCCCNc1ccnc2cc(Cl)ccc12 28346360 RGRQNNNPHYZSDC-JFLMPSFJSA-N 447.967 3.505 50 1 IHGF CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@]2(C(=O)CCl)O1 253636565 NDBLUKGHBOYXNG-PXUXNPPJSA-N 434.960 3.573 50 1 IHGF CC(C)CCOc1cc2nc(CCNC(=O)CBr)[nH]c2cc1Br 586971202 OFMSSTKEVCXUGD-UHFFFAOYSA-N 447.171 3.804 50 1 IHGF COc1cc(C(=O)Nc2cccc(NC(=O)[C@H](C)Br)c2)cc(OC)c1OC 28954621 QWGBNAFBNBHJNE-NSHDSACASA-N 437.290 3.687 50 1 IHGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 40914192 LCDIUIWMRAIVNG-WAIKUNEKSA-N 432.476 3.921 50 1 IHGF COC(=O)C1=C(C)NC(C)=C(C(C)=O)[C@@H]1c1ccc(N(CCCl)CCCl)cc1 1857750139 SANFHZBUPNWPLF-FQEVSTJZSA-N 425.356 3.967 50 1 IHGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1Br)O2 587374245 VKOBZFNALOTSMO-BEFAXECRSA-N 425.323 3.686 50 1 IHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)O2 587375452 SPMQAANFZWBTGR-GIPWTMENSA-N 431.286 3.552 50 1 IHGF NC(=O)CCc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546764 XPDIQEZDZGPBJB-QPPBQGQZSA-N 437.879 3.906 50 1 IHGF Cc1nn(C)cc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674740 ZWYUAGHXDUVDPE-FVMDXXJSSA-N 431.147 3.803 50 1 IHGF CC(=O)NCc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587686270 TUYFZYQOIMMCAX-YPMLDQLKSA-N 429.717 3.834 50 1 IHGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3CCN2C)cc(Br)c1OC 38940949 FKWMEXURLQIENT-GOSISDBHSA-N 442.313 3.677 50 1 IHGF C[C@H](O)C=CC[C@H](Br)[C@@H]1C[C@H](Cl)[C@H](C[C@H](O)C=C=CBr)O1 2356790225 FIDLVGOBBXYNQN-RITCRJHMSA-N 444.591 3.657 50 1 IHGF C/C(NNC(=O)c1ccncc1)=C1/C(=O)c2ccccc2[C@@]12NCCc1cc(Cl)ccc12 963390399 IYTBTCJAVJEDRZ-WNRWPCNTSA-N 444.922 3.529 50 1 IHGF COc1ccc2ccc(=O)oc2c1C(/C=C/c1ccc(C(F)(F)F)cc1)=N/NC(N)=O 299868940 STNHCAAGTBZARL-QEEINMGJSA-N 431.370 3.906 50 1 IHGF Cc1cc2c(cc1C)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 587748716 YCGJRSDHWMZMQA-GTJPDFRWSA-N 431.305 3.744 50 1 IHGF CC1=C(CCCl)C(=O)N2CCC[C@@]3(c4ccsc4CCN3Cc3cccn3C)[C@H]2N1 962378641 YYCGUBXROAENDO-XZOQPEGZSA-N 445.032 3.795 50 1 IHGF C[C@]1(c2ccccc2OCCBr)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963227058 FJIMJLXVNMGUOW-DENIHFKCSA-N 441.325 3.871 50 1 IHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccc([N+](=O)[O-])cc12 587754072 XNROJEQKPLUDHI-OVWNDWIMSA-N 433.233 3.749 50 1 IHGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N/N=C1\C(=O)N(C)c3ccc(Cl)cc31)O2 1911572641 CGLAWKKIYBRFRI-SNCWWCFESA-N 441.915 3.551 50 1 IHGF N#Cc1ccc(-c2cs/c(=N/NC(=O)CSc3ncccn3)n2-c2ccccc2)cc1 103238681 QRHLTJIZAUNTNY-HPNDGRJYSA-N 444.545 3.592 50 1 IHGF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@]3(O)CC=C(C=O)[C@@H](C=O)[C@@]23C)cc1 2356418217 ZQYOVSWUNPPKMW-KZKYLIHBSA-N 426.509 3.522 50 1 IHGF COc1ccc([C@H]2[C@H](Cl)C(=O)N2c2nnc(Cn3c(C)nc4ccccc43)s2)cc1 43122061 JQAYTSITMGNLPB-OALUTQOASA-N 439.928 3.948 50 1 IHGF Cc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1 95587560 SAXRFUUWLACAMK-CNHKJKLMSA-N 428.080 3.695 50 1 IHGF COc1ccc2c(c1)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCBr)C2=O 95596674 XOAYPDBWARPQHP-UHFFFAOYSA-N 443.253 3.915 50 1 IHGF 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O=C(NNC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])s3)nc2c1)c1cccc(Cl)c1 66075605 VPTUBOXYDIGFMH-UHFFFAOYSA-N 441.856 3.928 50 1 IHGF CO[C@@H]1O[C@H](CBr)[C@@H]2OC3(CCCCC3)O[C@H]2[C@@H]1OCc1ccccc1 253680369 CADSPMAYVWVCHB-MTHXSQLBSA-N 427.335 3.782 50 1 IHGF CCCN1N=C[C@@]2(NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)[C@@H](Cl)C1=O 963816541 DKSPTRSAPPMKJJ-XUZZJYLKSA-N 436.943 3.933 50 1 IHGF COc1cc(-c2ccc(C(=O)NNC(=O)Nc3ccccc3)c(C)n2)cc(OC)c1OC 1857540644 FEZCQZHPUUWWJA-UHFFFAOYSA-N 436.468 3.549 50 1 IHGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1ccc(O)cc1O 84633816 OQIUARVSMXHUCY-ZMOGYAJESA-N 432.505 3.890 50 1 IHGF C[C@H](O)[C@H](Cl)[C@H]1C[C@H]1C1=C(Br)[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1 238757175 NPYXITOJUNTZLO-JSPQHUIRSA-N 440.559 3.837 50 1 IHGF NNC(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 587018173 VMFXTCGFTBWPMA-UHFFFAOYSA-N 434.344 3.705 50 1 IHGF COc1ccc(/C(=N/NC(N)=O)[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)Oc3ccccc32)cc1 5809802 FCULCYWBAAIFKT-JXAUNSALSA-N 445.475 3.563 50 1 IHGF 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Clc1ccc(CCN2CCN(CCCI)CC2)cc1Cl 22925001 WOKQBQVZTUFFBV-UHFFFAOYSA-N 427.157 3.979 50 1 IHGF COc1cc(NC(=O)c2ccccc2NC(=O)[C@@H](C)Br)cc(OC)c1OC 28954665 BZDSLJAXBYFIMD-LLVKDONJSA-N 437.290 3.687 50 1 IHGF O=C(O)C[C@H](Br)[C@]1(c2ccc(Cl)cc2)NCCc2nc3ccccn3c21 962990678 SGKSJPGINDFGQH-KXBFYZLASA-N 434.721 3.615 50 1 IHGF C=C1[C@@H](O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OCCBr)[C@@H]2CC[C@]1(O)C3 299851789 JTNZINVYUCZWES-UNSLCEKCSA-N 441.406 3.979 50 1 IHGF C=C(OCCC[Si](OC)(OC)OC)[C@]1(C)c2cccc(Br)c2CCN1C 963289038 HWYANSMBLQEEOZ-LJQANCHMSA-N 444.442 3.951 50 1 IHGF CSc1nc(N2CCOCC2)c2cnn(C[C@H](Br)c3ccccc3)c2n1 40913797 PYIPLYJRCWMWGU-HNNXBMFYSA-N 434.363 3.521 50 1 IHGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@H](Cl)C[C@@H](O)[C@H]2C[C@H](Br)[C@H]1O2 2356791102 GKGHVIZKOBASPG-HDDTUJSCSA-N 442.575 3.673 50 1 IHGF COc1cccc([C@@H]2C/C(=N\NC(=O)C(=O)N[C@H](C)c3ccccc3)c3ccccc3N2)c1 13779247 KCRLNXQTWQLXKK-QPSUPGJTSA-N 442.519 3.950 50 1 IHGF O=C1c2ccccc2C(=O)N1c1c(CI)[nH]c2cccc([N+](=O)[O-])c12 587646151 VNOJFXVAMJIZEO-UHFFFAOYSA-N 447.188 3.812 50 1 IHGF CC(=O)N(C)Cc1ccc([C@]2(CCl)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962769365 SBQXTEHBWCBVBK-CTNGQTDRSA-N 438.877 3.793 50 1 IHGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@H](OC(C)=O)[C@@H](Cl)C[C@H]1OC(C)=O 2356434900 IZUAHIQVPWUNPB-YLXRRXKZSA-N 449.769 3.758 50 1 IHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(N(C)S(C)(=O)=O)cc1)CC2=O 587482424 CWMCTYYPMNOBTC-NRFANRHFSA-N 437.945 3.840 50 1 IHGF Cc1ccc(NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cc1 1215492 JAQYICUORPRYBH-LGJNPRDNSA-N 431.448 3.505 50 1 IHGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccncn2)[C@H]1c1ccc(F)cc1 587323723 SOSZNKGUHNPOAI-ICSRJNTNSA-N 429.245 3.971 50 1 IHGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CBr)([C@H]2CCOC2)N1 963175972 HGDODAMQFVAVOG-CCUNJIBTSA-N 442.659 3.584 50 1 IHGF C=C[C@](C)(CCC=C(C)CC[C@@]1(C)C(C=O)=CCC[C@@H]1C)S(=O)(=O)CCNC(=N)N 2356401676 LREQFFZTNFHDAQ-WWPVKYPJSA-N 437.650 3.897 50 1 IHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCl)(c2ccccc2)N1 587682656 DFSFELNQXCROEO-BLVKFPJESA-N 425.729 3.721 50 1 IHGF N#CC(=C(O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 1857622305 FRCZUIYVBOPVMP-UHFFFAOYSA-N 438.871 3.762 50 1 IHGF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCCCCCC(=O)NN 587862447 OEIXIRLMMBLSSM-UHFFFAOYSA-N 426.439 3.938 50 1 IHGF CC(C)c1nn(C)c2c1[C@@](CCCl)(c1ccn(S(=O)(=O)c3ccccc3)c1)NCC2 962915403 IAKBQHZNBBQGOC-JOCHJYFZSA-N 447.004 3.600 50 1 IHGF Cc1ncc([N+](=O)[O-])n1C/C(=N/NC(=O)c1ccccc1)c1ccc(Br)cc1 103283931 DKGNBDAVBAFVQB-XLNRJJMWSA-N 442.273 3.697 50 1 IHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)O2 587375451 SPMQAANFZWBTGR-BIBXISHDSA-N 431.286 3.552 50 1 IHGF CSC1=C(CO[P@@](N)(=O)N(CCCl)CCCl)C(=O)c2ccccc2C1=O 26850527 YKSVIOXGEAWJTI-RUZDIDTESA-N 437.285 3.546 50 1 IHGF CC(=O)Oc1ccc(CCNC(=O)CCCC[C@@H]2CCSS2)cc1OC(C)=O 28569686 IWIFUKQMJRRCLR-QGZVFWFLSA-N 425.572 3.910 50 1 IHGF CCOC(=O)[C@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319119 AFEJREADMZBTHR-CZYCVGMRSA-N 437.261 3.976 50 1 IHGF N#C/C(=C(\O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 102680911 FRCZUIYVBOPVMP-KNTRCKAVSA-N 438.871 3.762 50 1 IHGF Cc1ccnc2c1CCN[C@]2(c1c[nH]c(C(=O)NN(C)C)c1)c1ccc(Cl)cc1Cl 963082528 BGBFPOPGKDKNTQ-JOCHJYFZSA-N 444.366 3.669 50 1 IHGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@H](Cl)C[C@@H](O)[C@H]2C[C@@H](Br)[C@H]1O2 2356791104 GKGHVIZKOBASPG-NSRMGKGXSA-N 442.575 3.673 50 1 IHGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCC(=O)O)cc1)([C@H](C)Br)O2 587371879 GNSBNIRHDPZGMC-FKIZINRSSA-N 434.286 3.685 50 1 IHGF COCCOCc1ccc(NC(=O)C(C)(C)c2ccc(S(=O)(=O)/C=C/C#N)cc2)cc1 147598854 XQTSJVCVRXNAOB-AYSLTRBKSA-N 442.537 3.577 50 1 IHGF CCCCC1=N[C@H](Cl)[C@H](C(=O)O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 26737377 LQKFPQGKTUKZDV-UXHICEINSA-N 438.919 3.956 50 1 IHGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](CBr)(c2ccc(F)cc2F)N1 963227787 HCWUCFVANPZAGC-ICSRJNTNSA-N 433.252 3.750 50 1 IHGF CCCCC1=N[C@H](Cl)[C@@H](C(=O)O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 26737367 LQKFPQGKTUKZDV-PMACEKPBSA-N 438.919 3.956 50 1 IHGF O=C(NNC(=S)Nc1ccccc1I)c1cccc(Cl)c1 66073789 KTECTBPJXKSGGM-UHFFFAOYSA-N 431.686 3.576 50 1 IHGF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1Br)[C@@H](C2)C3=O 587419009 VYODRBBICNFYQR-AGKSTNPPSA-N 438.318 3.586 50 1 IHGF C=C1CCC=C(C=O)CC[C@@H]2C([C@H](OC(C)=O)C(=O)CC(C)C)=CO[C@@H](OC(C)=O)[C@H]12 2356789474 DIWGIYXUWLTSFM-JFTIXFDTSA-N 432.513 3.825 50 1 IHGF N[C@@H]1CN(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC[C@@H]1Cl 169706500 IVDRVWFOHOJDBW-SMDDNHRTSA-N 449.914 3.880 50 1 IHGF COC(=O)C(C)(C)[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673068 JVUZQDZJRKYRDX-FVMDXXJSSA-N 437.147 3.912 50 1 IHGF C=C=CO[C@@H]1C[C@H](OC(C)=O)[C@H](C[C@H](OC(C)=O)[C@@H](Br)CC=CCC)O1 2356622577 IMRACKARKRJJBV-VMXHOPILSA-N 431.323 3.790 50 1 IHGF COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587385562 PBOAADPQUBLGDW-GOSISDBHSA-N 439.237 3.889 50 1 IHGF N#C/C(=C\c1cccc(Cl)c1)C(=O)NCCNC(=O)/C(C#N)=C/c1cccc(Cl)c1 13676680 BRSJVLARFQHMIS-BEQMOXJMSA-N 439.302 3.740 50 1 IHGF CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C#N)Cc1ccccc1 45388595 GAEREYBMNZIBLC-DEOSSOPVSA-N 442.519 3.881 50 1 IHGF CO[C@H]1C[C@]2(C)[C@@H](O)[C@H](I)C[C@@H]2[C@H]2C=Cc3cc(O)c(F)cc3[C@@H]12 253645546 KVXXDRIASJJCBZ-BFXUBOMXSA-N 444.284 3.867 50 1 IHGF O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 138290319 UFMITEKYTUTSLO-WMPKNSHKSA-N 440.503 3.932 50 1 IHGF COc1cc(NC(=O)c2ccc(NC(=O)[C@H](C)Br)cc2)cc(OC)c1OC 28954689 HCOCNKNFGIFJEG-NSHDSACASA-N 437.290 3.687 50 1 IHGF O=P(NNP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 68600899 NPTOVMFYAQSHGF-UHFFFAOYSA-N 432.400 3.939 50 1 IHGF biogenic COC(=O)C(C)(C)[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587674511 XIDJHRQDJBUWIL-JDNHERCYSA-N 437.147 3.912 50 1 IHGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2[C@H](Br)C=O 963862814 HLKYSDXGIXZQQN-UNEWFSDZSA-N 426.307 3.635 50 1 IHGF CC(=O)Nc1ccc([C@@H](c2c[nH]c3ccccc23)[C@H](CO)NC(=O)C(Cl)Cl)cc1 198735284 IEORQMXIWXLRSB-OALUTQOASA-N 434.323 3.539 50 1 IHGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccncc4)cc3)o2)c(OC)c1 473248648 PNFLYSMFVCLUFK-AFUMVMLFSA-N 429.436 3.580 50 1 IHGF COc1cc2c(cc1OC)[C@]1(C=C[C@@H](Br)C1)N(C(=O)c1ccccc1N)CC2 963159066 PLASVZXYJGLISY-IVZQSRNASA-N 443.341 3.903 50 1 IHGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C(=O)OCC)no1)CC2=O 587455517 CMSPQWIMZUDULM-IBGZPJMESA-N 438.274 3.765 50 1 IHGF CCOC(=O)C1=C(C=O)C(=CCC(C)C)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 2356735485 CDJZAOLSYBYKKT-IBGZPJMESA-N 430.497 3.608 50 1 IHGF CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1 1857639299 DJZQAAQAPPTRBM-UHFFFAOYSA-N 444.944 3.659 50 1 IHGF CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@](C)([C@@H](Br)CO)C[C@H]3[C@H](O)C[C@@H]2[C@@]2(C)C[C@@H]12 31302439 UVYAPBDOYMZESV-UCUHEJSZSA-N 441.406 3.834 50 1 IHGF Cc1cccc([C@@H]2[C@H](Cl)C(=O)N2C(=O)NCCCn2ncc3ccc([N+](=O)[O-])cc32)c1 199898436 VAGMSLOEHCPLPK-RBUKOAKNSA-N 441.875 3.544 50 1 IHGF CCOC(=O)/C(C#N)=C\Nc1ccc([C@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963606486 HVEWKQPGFSFHIP-VGYQHGBUSA-N 435.524 3.884 50 1 IHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)NC(=O)CO3)N1 587685079 NSOTXHMECPNXSY-APBUJDDRSA-N 439.712 3.936 50 1 IHGF Cc1cc2c(cc1Cl)[C@]1(N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c31)C(C=O)=CO2 962981528 VDRJDETYUKTNCS-MGPUTAFESA-N 440.229 3.898 50 1 IHGF NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Br)cs1 28347311 XQYOBZVYQOQKAE-UHFFFAOYSA-N 430.132 3.522 50 1 IHGF COc1ccc(N2C(=O)CS/C2=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 1772641989 MHUYCPVPIKYMHX-RELWKKBWSA-N 440.308 3.548 50 1 IHGF [C-]#[N+]C1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1 473219269 OVQBJSVRDMCNHT-UHFFFAOYSA-N 437.500 3.604 50 1 IHGF O=C(CCCl)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545641 RXYMTXALBFLQMS-XUZZJYLKSA-N 437.879 3.994 50 1 IHGF COC(=O)C(C)(C)[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673070 JVUZQDZJRKYRDX-XXFAHNHDSA-N 437.147 3.912 50 1 IHGF C=C(C)C[C@H](O)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1OCCO1 208152314 UNRJNLQKKCIVHL-XZOQPEGZSA-N 426.629 3.632 50 1 IHGF Cn1c(=O)oc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587543847 LVGITLDWRZSAGE-CVDCTZTESA-N 437.835 3.933 50 1 IHGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@H](OC(C)=O)[C@H](Cl)C[C@@H]1OC(C)=O 2356434897 IZUAHIQVPWUNPB-SVMUCYCZSA-N 449.769 3.758 50 1 IHGF CO[C@@H]1O[C@H](CBr)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1OCc1ccccc1 27979496 CADSPMAYVWVCHB-HVMFNXBNSA-N 427.335 3.782 50 1 IHGF Cc1ccc[n+]([C@@H]2[C@H](c3cccs3)C(C#N)=C([C-](C#N)C#N)N[C@@]2(O)c2ccccc2)c1 169308060 SEORTYATEUXONQ-ICDZXHCJSA-N 437.528 3.517 50 1 IHGF O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1)C1CC(Cl)C1 147620243 GUGMHFQRQQBWKY-XLLSNORTSA-N 448.007 3.620 50 1 IHGF Cc1c(Cl)c(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 257553277 UHFQTECWVLYLBG-FADAQUJCSA-N 434.916 3.917 50 1 IHGF endogenous,in-man CC(C)S(=O)(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)c2ccccc12 13492696 YXPSGLDCAGRKRY-DHRITJCHSA-N 435.505 3.504 50 1 IHGF C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N[C@@H]1SC(=S)S[C@H]1CC[S@@](=O)C1 2356704687 DLELPBQVHWHPES-IYCTWLCDSA-N 439.766 3.741 50 1 IHGF COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587385571 PBOAADPQUBLGDW-SFHVURJKSA-N 439.237 3.889 50 1 IHGF Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 72123385 MLZNGNHRXLXMHY-QFIPXVFZSA-N 444.535 3.831 50 1 IHGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@H](C#N)C(=O)NCc1ccccc1)CC2=O 587457737 CBETTYFDOHKOOF-FDDCHVKYSA-N 426.900 3.744 50 1 IHGF COc1ccc2c(c1)C(=NNC(=O)c1ccc(NC(=O)c3ccc(Cl)cc3)cc1)C(=O)N2 1857568932 SNVQDJKZZSIGPF-UHFFFAOYSA-N 448.866 3.687 50 1 IHGF CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccc([N+](=O)[O-])c2)/C(=C/c2cccc([N+](=O)[O-])c2)C1 40781885 NHPLZKZEQSRUFD-CJRTWVEFSA-N 445.435 3.594 50 1 IHGF CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2=C(C#N)[C@H]3CCC[C@H]3S2)c1 169701128 OOIQXCGMULMSHT-CXAGYDPISA-N 439.990 3.751 50 1 IHGF CCCN1N=C[C@]2(NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)[C@@H](Cl)C1=O 963816540 DKSPTRSAPPMKJJ-URXFXBBRSA-N 436.943 3.933 50 1 IHGF CO[C@H]1C[C@@]2(C)[C@@H](C[C@@H](I)[C@@H]2O)[C@H]2C=Cc3cc(O)c(F)cc3[C@H]12 27423886 KVXXDRIASJJCBZ-ORUAVQSESA-N 444.284 3.867 50 1 IHGF C[C@]12C[C@H](CCNC(=O)CBr)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13605868 SVKNUKFNBSYJOH-GAWRCDSNSA-N 436.390 3.737 50 1 IHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2ccccc2O)s1 43013410 HSSABKLOLHKREJ-QZTJIDSGSA-N 425.901 3.645 50 1 IHGF Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cc2ccccc2nc1Oc1ccccc1 169311897 YZFFSSSXLLCPIH-WYMPLXKRSA-N 430.424 3.591 50 1 IHGF O=C1c2ccc(O)cc2O[C@]2(CC=Cn3c2nc(CCl)cc3=O)[C@@H]1c1ccc(F)cc1 587326465 LNVOLDQDRXNMFA-NFBKMPQASA-N 438.842 3.956 50 1 IHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCl)(c1ccccc1Br)O2 587377326 MIUIFHTZIIMITC-LJQANCHMSA-N 437.721 3.555 50 1 IHGF O=C1c2ccccc2C(=O)N1c1c(CI)[nH]c2cc([N+](=O)[O-])ccc12 587645405 AISZSTJBPNPPEN-UHFFFAOYSA-N 447.188 3.812 50 1 IHGF CN(Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)CCl 587883912 DHURLHRYFALERQ-UHFFFAOYSA-N 437.754 3.901 50 1 IHGF CC1(C)C(=O)CC[C@H](Br)[C@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962674688 VWJSCHJNBVYLNR-KNXBSLHKSA-N 445.357 3.681 50 1 IHGF N#Cc1ccc(C[C@]2(CCl)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1 962695539 IJRIJOKLHNJRLC-PKOBYXMFSA-N 426.797 3.992 50 1 IHGF COC1=C/C(=C/NNC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)C=CC1=O 13119210 AMORHNAOOVJTIN-HTXNQAPBSA-N 440.503 3.781 50 3 IHGF CCCN(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2=O)cc1 3815611 VQNFUUSMDYZPEF-UHFFFAOYSA-N 445.907 3.684 50 1 IHGF COc1cc(NC(=O)c2ccc(NC(=O)[C@@H](C)Br)cc2)cc(OC)c1OC 28954686 HCOCNKNFGIFJEG-LLVKDONJSA-N 437.290 3.687 50 1 IHGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCl)c1cc2c(cc1Cl)NC(=O)CO2 963631398 DGTZTTXRLULFFT-MQJDWESPSA-N 437.323 3.705 50 1 IHGF CN(C)CCSSCCN(C)C(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 618009743 HMEOUPOEFFSSKV-LJQANCHMSA-N 439.647 3.579 50 1 IHGF COc1ccc(/C=N/NC(=O)c2ccc(-c3nnc(-c4ccccc4OC)o3)cc2)c(O)c1 1772578574 XVEAPMJLPOJFKY-AFUMVMLFSA-N 444.447 3.890 50 1 IHGF CCCNC(=S)NNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12971215 YBWWXYYYMOZLFA-UHFFFAOYSA-N 425.583 3.741 50 1 IHGF O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1ccccc1F 98085161 KWJFNCHVXDWAMA-AFUMVMLFSA-N 432.484 3.711 50 1 IHGF CCc1ccc2c(c1)[C@]1(C(C=O)=CO2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962675816 WYPHKNZTRDUNHZ-UIOOFZCWSA-N 428.488 3.615 50 1 IHGF COC(=O)CCCC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 27635099 CLIISUBHEBQZTF-UHFFFAOYSA-N 446.681 3.502 50 1 IHGF CC(=O)Nc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 587501375 XGXVEHALIKILEA-HXUWFJFHSA-N 430.302 3.569 50 1 IHGF CCOc1cc(C(=O)NCCCSSCCN(C)C)cc(OCC)c1OCC 618012502 KMHFZPZIURSWGI-UHFFFAOYSA-N 430.636 3.946 50 1 IHGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 299810313 RQSMYLDENWYOJU-FCJDFRRUSA-N 430.522 3.808 50 1 IHGF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(=O)NN)cc2[nH]1)c1cccc(Cl)c1 587072114 UEHTUQBWRWZKGM-MRXNPFEDSA-N 429.908 3.628 50 1 IHGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)OCCCCCl)cc1 103179566 HQRCBYSUTZEZQW-UHFFFAOYSA-N 446.859 3.651 50 1 IHGF C#C/C=C/C[C@@H]1O[C@@H]([C@@H](Br)CC)C[C@H](OC(C)=O)[C@@H](Cl)C[C@H]1OC(C)=O 136589952 IZUAHIQVPWUNPB-LZCIXORASA-N 449.769 3.758 50 1 IHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cncc(Br)c2[nH]1 587009421 FESGBPRBNYHMHF-AWEZNQCLSA-N 432.709 3.841 50 1 IHGF CC(C)CN(NC(=O)c1cc(-c2ccccc2)no1)c1nc(C#N)ncc1Br 58590503 IAGDSAPMYSSSOP-UHFFFAOYSA-N 441.289 3.573 50 1 IHGF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586940172 WKIZPBOSUWITHU-QMMMGPOBSA-N 431.412 3.993 50 1 IHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCl)(c2ccccc2)N1 587682194 BXEUSDXZWVPDLP-BUXKBTBVSA-N 425.729 3.721 50 1 IHGF Cc1c(Cl)c(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 15115458 UHFQTECWVLYLBG-TWEVGPQNSA-N 434.916 3.917 50 1 IHGF endogenous,in-man COc1ccc(NC(=S)NNC(=O)c2cnc3c(C(F)(F)F)cccc3c2O)cc1 73140834 GNLKEVUMPFNMOX-UHFFFAOYSA-N 436.415 3.599 50 1 IHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(N3CCOCC3)cc1)O2 587374773 QFENGUPESBOZCX-NRFANRHFSA-N 431.330 3.669 50 1 IHGF Cc1cccc([C@@H]2[C@@H](Cl)C(=O)N2C(=O)NCCCn2ncc3ccc([N+](=O)[O-])cc32)c1 199898498 VAGMSLOEHCPLPK-RTBURBONSA-N 441.875 3.544 50 1 IHGF CC(=O)CCCC(C)(C)C(=O)CCC(C)=CCCC(C=O)=CC[C@H](O)C1=CC(=O)O[C@H]1O 2356375621 FEMXYJKADLXNFO-XUZZJYLKSA-N 448.556 3.526 50 1 IHGF CC(C)[C@H](NC(=O)OCCBr)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 95591731 DWSDARLZBKTYED-YGRLFVJLSA-N 446.342 3.758 50 1 IHGF Cc1nc2cc(C(=O)NCCSSCCN(C)C)ccc2n1-c1ccc(O)cc1 618017836 QQGDNPCMWSKEHG-UHFFFAOYSA-N 430.599 3.712 50 1 IHGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccncn2)[C@H]1c1ccc(F)cc1 587323722 SOSZNKGUHNPOAI-AZUAARDMSA-N 429.245 3.971 50 1 IHGF CN(C)C(=O)c1ccc2c(c1)[C@@](CBr)(c1ccccc1OC(F)F)NCC2 962925526 NMZMSKIWVWDMEM-HXUWFJFHSA-N 439.300 3.774 50 1 IHGF CC1=CC(=O)O[C@@H]1C=C[C@](C)(CC[C@H]1[C@@]2(C)CCC[C@@]3(C)C(=O)O[C@@H](C[C@@]1(C)O)[C@@H]23)OO 2356530181 GSHNDISVGWHAIW-ZAHFWZKQSA-N 448.556 3.952 50 1 IHGF CCN(CC)C(=O)Cn1ccc2c(/C=N/NC(=O)c3ccc(O)c(Cl)c3)cccc21 13492705 SDWCCUHKTHMBKN-ZMOGYAJESA-N 426.904 3.633 50 1 IHGF C=CCO/C(O)=C1\C(C)=NC(SCC(=O)OCC)=C(C#N)[C@H]1c1ccc(O)c(OC)c1 101719088 DZNMOYWKMQBECS-QWODIWHTSA-N 444.509 3.963 50 1 IHGF CN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(N(C)C)cc2)/C(=C/c2ccc(N(C)C)cc2)C1 40614064 NMBNDIOOWUDXSF-FECOFQHFSA-N 441.579 3.909 50 1 IHGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cnccn2)[C@@H]1c1ccc(F)cc1 587323582 RWSCFZRHDYECQO-QUCCMNQESA-N 429.245 3.971 50 1 IHGF CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)[C@H]1[C@@H]3C(=O)N(Cc4ccccc4)C[C@@]34C=C[C@@]1(C)O4)C2 1857582045 UOARUVVXNIQCLT-OUMZLSBPSA-N 447.579 3.677 50 1 IHGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(C#N)c(O)nc2CC[C@@H]1Br 587461783 ZCBIKFMOPUITMN-GHTZIAJQSA-N 443.297 3.887 50 1 IHGF C=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 28825996 HVJYSBVFYIUHFA-KAOXLYBCSA-N 447.535 3.911 50 1 IHGF CC/C(NCc1ccc(OCc2cnc(Cl)s2)cc1)=C(\C#N)C(=O)OCCOC 98082758 APSRLBYBCCUVSY-ZCXUNETKSA-N 435.933 3.842 50 1 IHGF CCCC[C@@](O)(C(=O)NCCCCCCN)C(=O)N(Nc1ccccc1)c1ccccc1 64633615 SGOCMJCBAGSKRE-RUZDIDTESA-N 440.588 3.603 50 1 IHGF in-vitro C=C=CO[C@H]1C[C@@H](OC(C)=O)[C@@H](C[C@H](OC(C)=O)[C@@H](Br)C/C=C/CC)O1 238745376 IMRACKARKRJJBV-ALQYDXGUSA-N 431.323 3.790 50 1 IHGF CCCc1c(O)ccc2c1O[C@@](CCl)(CCN1C(=O)c3ccccc3C1=O)CC2=O 587461677 XWWATBGJCSTCFO-QHCPKHFHSA-N 427.884 3.974 50 1 IHGF Cc1ccccc1[C@@]1(c2c[nH]c(C(=O)NN)c2)c2ccsc2CCN1Cc1ccco1 962700297 ALNNVGVOUNOLDT-DEOSSOPVSA-N 432.549 3.931 50 1 IHGF O=C(O)/C=C/C(=O)Nc1ccc(SSc2ccc(NC(=O)/C=C/C(=O)O)cc2)cc1 1646865 OKZNUPITPHHGTC-WGDLNXRISA-N 444.490 3.645 50 1 IHGF CC(=S)N(NC(=O)C(C)(C)C(=O)NN(C(C)=S)c1ccccc1)c1ccccc1 38468944 OSBUYQLCNPXLKR-UHFFFAOYSA-N 428.583 3.783 50 1 IHGF NNC(=O)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 587000644 OSEAOCHIKLFDKG-UHFFFAOYSA-N 437.301 3.603 50 1 IHGF COC1=C/C(=C/NNC(=O)c2ccc(-c3ccccc3)cc2)C=C(Br)C1=O 15836990 HFWDMCIPZMTXQI-BUHFOSPRSA-N 425.282 3.864 50 3 IHGF CC1(C)C(=O)Nc2ccc([C@]3(CCl)N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cc21 963234660 VDEQEOKKZRFNIZ-YKSBVNFPSA-N 435.911 3.546 50 1 IHGF O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(Cn2cc(Br)cn2)o1 667851 QTJATAWHSXQLHV-IFRROFPPSA-N 425.645 3.843 50 3 IHGF COC(CN(C(=O)CCl)[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(C)cc1)OC 13483558 PIKJKAFHTIVREA-NIRMNWTQSA-N 438.996 3.663 50 1 IHGF CC(C)CN(NC(=O)C1(c2ccc(Cl)cc2)CC1)c1nc(C#N)ncc1Br 58548764 QHLBMALMFKVPRM-UHFFFAOYSA-N 448.752 3.990 50 1 IHGF CC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=C3c4cc5c(cc4C(=O)N[C@H]3[C@@H]2O1)OCO5 195132441 XAHDDMCNCIYOSB-NMLBUPMWSA-N 445.588 3.835 50 1 IHGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)NCCc2nc3ccccn3c21 962990677 SGKSJPGINDFGQH-HNAYVOBHSA-N 434.721 3.615 50 1 IHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O 587412982 LDMWNTGCKQEQIV-BTYIYWSLSA-N 428.282 3.618 50 1 IHGF COc1cc2c(cc1OC)[C@](CCl)(c1cn(-c3ccc(F)cc3)nn1)N(C)[C@@H](C)C2 962637821 UCSIQCPBJPJFGO-RCDICMHDSA-N 430.911 3.782 50 1 IHGF C=C1Cc2c(O)cc3c(c2O)C(=O)C2=C[C@H](Cl)C(C)(C)O[C@@]2(CC=C(C)C[C@@H]1O)C3=O 2356579346 ZLTRYTKUWJCABZ-READRUSDSA-N 444.911 3.758 50 1 IHGF COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccc(O)cc4)cc3)o2)c(OC)c1 473081798 DSUDHSJJQRPOPD-AFUMVMLFSA-N 444.447 3.890 50 1 IHGF CCCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1N1CCOCC1 13675484 OYYJEIHUJRNSJW-LJQANCHMSA-N 428.920 3.815 50 1 IHGF O=C(NNC(=S)Nc1ccc(I)cc1)c1cccc(Cl)c1 66073788 YOJPBYWPQQFNLH-UHFFFAOYSA-N 431.686 3.576 50 1 IHGF COCCNC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8018824 GDOQUJVIGLIHIZ-CCDWMCETSA-N 448.503 3.645 50 1 IHGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1Br 40791284 JTNIHGUWKBCCLH-QGZVFWFLSA-N 438.281 3.528 50 1 IHGF O=C(NNC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])s3)nc2c1)c1ccc(Cl)cc1 66075607 ASBFGLNVQJKLFR-UHFFFAOYSA-N 441.856 3.928 50 1 IHGF CCOC(=O)C[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319418 BDPLHFTYRLMRRU-QUCCMNQESA-N 437.261 3.977 50 1 IHGF Cc1cc2c(cc1C)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 587746269 LQPZRXBUGLEPCQ-LAJNKCICSA-N 431.305 3.744 50 1 IHGF CN(C)CCSSCCC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 618007762 ODOXOFKRBGHUGR-UHFFFAOYSA-N 436.565 3.849 50 1 IHGF C=C(C(=O)OC)[C@@H]1C[C@]2(OO)C(=C)[C@H](OC(=O)C(C)=CC)CC[C@]2(C)C[C@H]1OC(C)=O 2356395548 RQMMHQBGBXTVEG-SWBPKETKSA-N 436.501 3.520 50 1 IHGF Cc1cc2c(cc1C)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 587748725 YCGJRSDHWMZMQA-XUSGNXJCSA-N 431.305 3.744 50 1 IHGF NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccc(Cl)cc1 28354148 RPLKRIPAOFNUPN-UHFFFAOYSA-N 442.953 3.850 50 1 IHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)NC(=O)CO3)N1 587686875 XUYSCTLPMMRKDN-GIGQVBGESA-N 439.712 3.936 50 1 IHGF Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 299865241 SYVLZUPYCPOZMM-UHFFFAOYSA-N 432.867 3.987 50 1 IHGF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(=O)NN)cc2[nH]1)c1cccc(Cl)c1 587072112 UEHTUQBWRWZKGM-INIZCTEOSA-N 429.908 3.628 50 1 IHGF COc1ccc(/C=N/NC(=O)c2ccc(-c3nnc(-c4ccccc4OC)o3)cc2)cc1O 1772583802 LGQVTWXVLGASNZ-AFUMVMLFSA-N 444.447 3.890 50 1 IHGF CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccccc1)c1ccccc1 101042634 RQSMYLDENWYOJU-PNJWGLBASA-N 430.522 3.808 50 1 IHGF COc1ccc2nc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@H]3Cl)sc2c1 103282598 FZPZAGYTDZEYEX-CABCVRRESA-N 438.340 3.619 50 1 IHGF C=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 28825994 HVJYSBVFYIUHFA-MYDTUXCISA-N 447.535 3.911 50 1 IHGF O=C1COc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2N1 587541664 CQAQHPRRMKCOIU-REWPJTCUSA-N 437.835 3.819 50 1 IHGF COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(C#N)ccc2[nH]1)C[C@H]3CCl 49113016 AUYZUQFAXNMDPL-CYBMUJFWSA-N 448.866 3.996 50 1 IHGF N#CC1=C(NCN2CCCCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 53313696 HDWQAMRIXRRWBR-ZEQRLZLVSA-N 448.615 3.714 50 1 IHGF C=C1CCC=C(C=O)CC[C@@H]2C([C@H](OC(C)=O)C(=O)CC(C)C)=CO[C@H](OC(C)=O)[C@@H]12 2356789476 DIWGIYXUWLTSFM-QLBRKBSLSA-N 432.513 3.825 50 1 IHGF CCOC(=O)[C@@H](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)C(F)(F)F 43379943 XYCXAHCXLSZRQC-KQQSFPIESA-N 438.439 3.705 50 1 IHGF COc1ccc2nc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@H]3Cl)sc2c1 103282596 FZPZAGYTDZEYEX-GJZGRUSLSA-N 438.340 3.619 50 1 IHGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ncccn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 169370914 XCBGOGYSUFZFIG-HOHCIHLSSA-N 440.338 3.614 50 1 IHGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)CCN4)cc(Br)c1OC 1857770994 QMGBMRXCYAHLOR-GOSISDBHSA-N 428.286 3.652 50 1 IHGF COc1ccccc1[C@H]1[C@@H](Cl)C(=O)N1c1nnc(Cn2c(C)nc3ccccc32)s1 43024878 VBCHODVNBXOVSQ-MOPGFXCFSA-N 439.928 3.948 50 1 IHGF O=C(NC1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3)c1ccc(O)c(O)c1 473113288 FMHSCNXAYIWCIQ-UHFFFAOYSA-N 429.513 3.640 50 1 IHGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(C#N)c(O)nc2CC[C@H]1Br 587461784 ZCBIKFMOPUITMN-NQIIRXRSSA-N 443.297 3.887 50 1 IHGF CN(C)CCn1cccc1/C=N/NC(=O)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1 1857775195 KOHWAOGJWOFGEC-JFLMPSFJSA-N 449.490 3.965 50 1 IHGF CC(C)(C)[C@@]1(CNC(=O)CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538974 SWEZKEHRUNXOJI-UWJYYQICSA-N 448.313 3.650 50 1 IHGF COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1Br 40791285 JTNIHGUWKBCCLH-KRWDZBQOSA-N 438.281 3.528 50 1 IHGF Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccc(O)cc2)s1 43014028 YVWGXOHBORFVBD-ROUUACIJSA-N 425.901 3.645 50 1 IHGF Cc1ccc(-c2csc(/C(C#N)=C(\O)CN3CCN(C(=O)c4ccco4)CC3)n2)cc1 101656151 DZFKLALDYJHFMM-ZZEZOPTASA-N 434.521 3.962 50 1 IHGF C[C@H](NC(=O)c1ccccc1C(=O)NCCSSCCN(C)C)c1ccccc1 618007726 GKMCIJRHIKIRRO-KRWDZBQOSA-N 431.627 3.850 50 1 IHGF CCOC(=O)C1([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587537068 AAZJSYHGCIFEHU-KKSFZXQISA-N 447.281 3.831 50 1 IHGF CC1=C(CCCl)C(=O)N2CCC[C@]3(c4ccsc4CCN3Cc3cccn3C)[C@H]2N1 962378637 YYCGUBXROAENDO-GOTSBHOMSA-N 445.032 3.795 50 1 IHGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCl)(c2nc3ccccc3[nH]2)N1 962705201 VAVZZLROFDBLLR-YJBOKZPZSA-N 427.785 3.802 50 1 IHGF C=C([C@@H]1C[C@H](Cl)[C@](C)(O)C(=O)[C@H]1OC(C)=O)[C@@H](CC=C(C)C)OC(=O)/C(C)=C\C 1857646898 BYZSQTOIWKHMIU-FYMXAINHSA-N 426.937 3.656 50 1 IHGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@H](Cl)C[C@H](O)[C@H]2C[C@H](Br)[C@H]1O2 2356791103 GKGHVIZKOBASPG-JYZRNHMLSA-N 442.575 3.673 50 1 IHGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccncc2)N1 963172513 DBCLEMVRHAOVFN-HOCLYGCPSA-N 449.654 3.991 50 1 IHGF CC(=O)C=CC[C@H](Br)[C@@H]1C[C@H](Cl)[C@H](C[C@@H](O)C=C=CBr)O1 2356788451 CCJFRYFGDRFMCR-NTXDCRDFSA-N 442.575 3.865 50 1 IHGF CC(=O)[C@@](O)(C[C@@H](Br)C(C)(C)O)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 166789341 NCAVHYOPXXEQIC-QIRZIZBZSA-N 448.623 3.792 50 1 IHGF CO[C@H](C=C[C@H](C)[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)C(C)(C)O 2356572593 GIBPHPHOBXYRHB-PKIRRMPKSA-N 432.601 3.872 50 1 IHGF CN(C)[C@H](CCOC[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C 2356647922 ZJHVGYWBNMZWCG-DLBZAZTESA-N 437.802 3.773 50 1 IHGF COc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@@H]3Cl)nc12 103282580 SJIPKINHJZZTGP-HUUCEWRRSA-N 438.340 3.619 50 1 IHGF CN(C)CCSSCCCNC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 618012562 PJBJNIYWJIIEFF-LJQANCHMSA-N 439.647 3.627 50 1 IHGF COC(=O)NNC(=O)/C(=C/c1ccc2ccccc2c1)c1cc(OC)c(OC)c(OC)c1 49069645 UHHFRSYOJRYFOD-XDHOZWIPSA-N 436.464 3.793 50 1 IHGF CCCCOc1cc2nc(CCNC(=O)CBr)[nH]c2cc1Br 586970827 HOPZBGUOVLOHEK-UHFFFAOYSA-N 433.144 3.558 50 1 IHGF Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)o1 681623 JQZACSJTVRZTBZ-IFRROFPPSA-N 438.227 3.517 50 1 IHGF O=C(CNC(=O)OCc1ccccc1)N[C@H](/C=C/CBr)Cc1ccccc1 26376249 MTYYBJCKDINICY-LKQLOZHYSA-N 431.330 3.591 50 1 IHGF O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(C(=O)N/N=C/c2c(O)cc(O)cc2O)cc1 474603509 CIJOLCFVXLVPFX-IGIDEGMOSA-N 449.850 3.713 50 1 IHGF COc1ccc([C@H]2[C@@H](Cl)C(=O)N2c2nnc(Cn3c(C)nc4ccccc43)s2)cc1 43122066 JQAYTSITMGNLPB-MOPGFXCFSA-N 439.928 3.948 50 1 IHGF CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)N[C@H](C(=O)O)Cc4c3cnc3ccccc43)ccc21 963219312 HLUPIMOONRTFKR-FURSWLGUSA-N 449.938 3.614 50 1 IHGF NS(=O)(=O)c1ccc(NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 44093753 WFEOJMNLAOLOLP-UHFFFAOYSA-N 448.585 3.763 50 1 IHGF C/C(=C\C(=O)OC[C@H](O)CO)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)[C@H]1CCC[C@]2(O)CCl 238770892 OJNFYJWRNLIGEB-OTECBNLZSA-N 431.013 3.822 50 1 IHGF CC(=O)Oc1ccccc1C(=O)OC[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 1772639055 ZROVGDAMXUTNOC-NUGAEXELSA-N 446.496 3.773 50 1 IHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)CCC(=O)N3C)O2 587376705 XYVGTPSQKQZCAK-OAQYLSRUSA-N 429.314 3.742 50 1 IHGF CCOc1cc(/C=C/c2nc3ccc(C(=O)NN)cc3[nH]2)cc(Br)c1OC 586978310 NVVHUEKBNSUJJC-QPJJXVBHSA-N 431.290 3.507 50 1 IHGF CCC[C@H](C[C@@H](O)[C@H](Cl)Br)OC(=O)C(Br)Br 2356801031 QJWSUVKVZUNOPM-JKMUOGBPSA-N 445.373 3.525 50 1 IHGF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O 587428445 NBOSKJTUEUWNNR-YYFZDKIDSA-N 435.245 3.715 50 1 IHGF O=C(CCl)NC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608886 AJIFZVAYNQJWOO-GHTZIAJQSA-N 429.881 3.666 50 1 IHGF NNC(=O)CCCCCCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658943 VSVAPHLCANQPLR-UHFFFAOYSA-N 438.503 3.954 50 1 IHGF Cn1c(=O)cc(Oc2nc(NCCCl)nc(Nc3ccc(C#N)cc3)n2)c2ccccc21 103174504 CZMNJDMXFCGCCP-UHFFFAOYSA-N 447.886 3.782 50 1 IHGF CC1=C(CCCl)C(=O)N2CCC[C@@]3(c4ccsc4CCN3Cc3cccn3C)[C@@H]2N1 962378631 YYCGUBXROAENDO-DHIUTWEWSA-N 445.032 3.795 50 1 IHGF CC1(C)OC(=O)c2ccccc2-c2c(nc3ccccc3[n+]2[O-])C(=O)C[C@@H]1Br 43120632 JDINCGJYJISCLZ-KRWDZBQOSA-N 441.281 3.821 50 1 IHGF Cc1cc2c(cc1Cl)[C@]1(N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c31)C(C=O)=CO2 962981521 VDRJDETYUKTNCS-FOIQADDNSA-N 440.229 3.898 50 1 IHGF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@]3(O)CC=C(C=O)[C@@H](C=O)[C@]23C)cc1 2356418220 ZQYOVSWUNPPKMW-OVSMBABESA-N 426.509 3.522 50 1 IHGF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=C(C#N)c2ccc(OC(F)(F)F)cc2)CC1 222829550 KRQZAVUNAGZXQM-UHFFFAOYSA-N 440.447 3.687 50 1 IHGF N#CC1=C(N)OC2=C(C1(C#N)C#N)[C@@]1(CCC2)c2ccsc2CCN1Cc1cccnc1 963005210 HJLLXFGOIVAXCM-XMMPIXPASA-N 440.532 3.592 50 1 IHGF C=C(C(=O)OC)[C@H]1C[C@@]2(OO)C(=C)[C@@H](OC(=O)/C(C)=C\C)CC[C@]2(C)C[C@H]1OC(C)=O 238771063 RQMMHQBGBXTVEG-XOMHRJEHSA-N 436.501 3.520 50 1 IHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(N3CCCC3=O)cc1)O2 587375514 UMDSIJMIRQNWIQ-NRFANRHFSA-N 429.314 3.960 50 1 IHGF CC=C[C@H](O)C[C@H](Br)[C@@H]1C[C@H](Cl)[C@H](C[C@H](O)C=C=CBr)O1 2356791817 IZFZRVDQJDDJAN-RITCRJHMSA-N 444.591 3.657 50 1 IHGF NNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2c(C(F)(F)F)cccc2c1=O 96934452 PGECMWXOIYBJQQ-UHFFFAOYSA-N 430.213 3.979 50 1 IHGF Cc1nn(C)cc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674742 ZWYUAGHXDUVDPE-XXFAHNHDSA-N 431.147 3.803 50 1 IHGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C\c2cc(F)c(C(=O)O)c(F)c2)ccc1C(=O)O 1857575320 DPDIALYRDUJSJU-MRUKODCESA-N 441.390 3.533 50 1 IHGF N#Cc1cccc([C@]2(C(Br)Br)NCCc3nc4ccccn4c32)c1 962992711 YUEWFLMHIHJXJL-SFHVURJKSA-N 446.146 3.711 50 1 IHGF O=CC1=COc2cc(F)ccc2[C@]12N[C@@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963174000 PQQGJNSLBYJTIW-AUUYWEPGSA-N 441.764 3.816 50 1 IHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1ccc([N+](=O)[O-])cc12 587752929 UQTWPLVMHUOJHJ-APBUJDDRSA-N 433.233 3.749 50 1 IHGF CC(C)c1cc(OC(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc1N(CCCl)CCCl 27557925 HRRHMHWXSQOYRS-HNNXBMFYSA-N 449.331 3.500 50 1 IHGF Cc1ccc(-c2c(/C=C(\C#N)C(=O)OC(C)(C)C)n(CCCO)c3ncnc(N)c23)cc1 117472298 IEUOMYJAIZIKES-SFQUDFHCSA-N 433.512 3.620 50 1 IHGF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O 587428442 NBOSKJTUEUWNNR-NBQZKYEYSA-N 435.245 3.715 50 1 IHGF Cc1ccc(O)c(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c1 1857608103 RHNWYOOHMPAOQD-CNHKJKLMSA-N 428.080 3.695 50 1 IHGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3CCN2)cc(Br)c1OC 1857769610 OQBZSFRSWPVPPD-KRWDZBQOSA-N 428.286 3.652 50 1 IHGF CCOC(=O)[C@H](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)C(F)(F)F 43379937 XYCXAHCXLSZRQC-HSBSUZSPSA-N 438.439 3.705 50 1 IHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(CBr)CBr 587537164 BKVYFDUFJCITEB-CYBMUJFWSA-N 428.076 3.882 50 1 IHGF Cn1c(=O)oc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587543848 LVGITLDWRZSAGE-WMZHIEFXSA-N 437.835 3.933 50 1 IHGF O=C1c2ccccc2C(=O)N1CCc1c(CBr)[nH]c2cccc([N+](=O)[O-])c12 587643869 JYPPNPDECFPHMR-UHFFFAOYSA-N 428.242 3.810 50 1 IHGF COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 3193628 UGQKUBYPHNDRKZ-YDZHTSKRSA-N 431.408 3.813 50 3 IHGF COC(=O)N/N=C(\C)[C@@H](CN(C)C)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 38807333 CNNVOWBKVGCQGM-KUOAAUPISA-N 437.496 3.540 50 1 IHGF O=C1[C@@H](Cl)[C@@H](c2ccccc2Br)N1/N=C/CCn1nnc2ccccc21 66261892 SYAVBXJJSYWMCJ-FXMMDWOBSA-N 432.709 3.761 50 1 IHGF O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl 1857580229 SUNPAFMHZCHJTM-UVHMKAGCSA-N 439.874 3.938 50 1 IHGF CCCc1nn(C2CCCC2)c2c1[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857652365 HRHZUGNJIWKXTK-GOSISDBHSA-N 439.472 3.791 50 1 IHGF O=C(N[C@H](CCCCCB(O)O)C(=O)Nc1cccc(-c2ccccc2)c1)c1cccnc1 170101008 ABEDQOQTISCLFO-HSZRJFAPSA-N 445.328 3.519 50 1 IHGF Nc1ccc(SSCCNC(=O)/C(Cc2cccc(Br)c2)=N/O)cc1 26502768 LQAPVRIUQJMQLD-LTGZKZEYSA-N 440.388 3.961 50 1 IHGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2cccc(Br)c2)cc1 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O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1 473172568 XSHZWCZKULYMQO-YDZHTSKRSA-N 429.392 3.781 50 1 IHGF COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)NNC(=O)c1ccc[nH]1 653697784 BETIBVDGGWCOGL-UHFFFAOYSA-N 438.871 3.908 50 1 IHGF Cc1cccc2c1[C@](CCl)(c1cnn(C)c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905670 ZLKLLWDRHACDRN-VGSWGCGISA-N 433.936 3.847 50 1 IHGF NNC(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 587166026 QORWAADWKRZUQG-UHFFFAOYSA-N 441.470 3.643 50 1 IHGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2c[nH]c3ccc(C#N)cc23)ccc1C(=O)O 1857591478 PPVOJKQXRISXNT-UVHMKAGCSA-N 425.448 3.909 50 1 IHGF CCOc1ccc2nc(Cl)c(/C=N/NC(=O)c3cc4ccc(O)cc4oc3=O)cc2c1 1857633546 ATUBQDTZFDFRQL-BHGWPJFGSA-N 437.839 3.863 50 1 IHGF O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)N/N=C/c1ccc(Cl)c(F)c1 73158622 GAKZYBSXSFBQME-PGGKNCGUSA-N 432.908 3.670 50 1 IHGF O=C1N2C=C(c3ccc(O)cc3)N[C@@H](CC3CCCC3)C2=N[C@@]1(Cc1ccc(O)cc1)OO 103537804 XOSFCMOTHZJUQK-OFVILXPXSA-N 449.507 3.618 50 1 IHGF in-vivo CC1(C)CC(CCC(=O)ONP(=O)([N@@]2CC2(C)C)[N@@]2CC2(C)C)CC(C)(C)N1O 1857611662 NDUPIZWPYFSFRS-GOTSBHOMSA-N 430.530 3.769 50 1 IHGF Cc1c(C(=O)NN(CC(C)C)c2nc(C#N)ncc2Br)n(C)c2ccccc12 58582053 YKXLOXOMOTZCPF-UHFFFAOYSA-N 441.333 3.718 50 1 IHGF O=C(O)COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC2CC(C3)C4O)cc1 1857587308 OGFYIHWNCSRBTI-UHFFFAOYSA-N 430.497 3.606 50 1 IHGF O=C(NNc1nc(Nc2ccccn2)nc(Nc2ccccc2Cl)n1)c1ccncc1 103217332 RXDPFZHHOFYNQD-UHFFFAOYSA-N 433.863 3.559 50 1 IHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccc([N+](=O)[O-])cc12 587754063 XNROJEQKPLUDHI-DGIBIBHMSA-N 433.233 3.749 50 1 IHGF Cc1ccnc2c1CCN[C@@]2(c1c[nH]c(C(=O)NN(C)C)c1)c1ccc(Cl)cc1Cl 963082532 BGBFPOPGKDKNTQ-QFIPXVFZSA-N 444.366 3.669 50 1 IHGF CC1(C)O[C@@](C)([C@@H]2C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O)[C@@H](O)C[C@H]1Br 2356790904 GEBGBDOHJSXYGV-LGCYJFPFSA-N 448.623 3.600 50 1 IHGF COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(S(=O)(=O)NCCCl)cc1 204647464 MBWJUWFANMBYHY-UHFFFAOYSA-N 448.953 3.936 50 1 IHGF CC(=O)Oc1ccccc1C(=O)OC[C@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 1772639056 ZROVGDAMXUTNOC-PFRDKSRCSA-N 446.496 3.773 50 1 IHGF N#Cc1ccc(C[C@@]2(CCl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1 962695538 IJRIJOKLHNJRLC-MJGOQNOKSA-N 426.797 3.992 50 1 IHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCl)(c2ccccc2)N1 587682674 DFSFELNQXCROEO-BUXKBTBVSA-N 425.729 3.721 50 1 IHGF CCN1C(=O)CS/C1=N\NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 1772602135 GZBWATGGACRCKK-VYIQYICTSA-N 429.505 3.979 50 1 IHGF COc1cc2c3c(c1)O[C@@](CBr)(c1cnn(-c4ccccc4)c1)[C@@H](C2)C3=O 587413373 NHEJPQBWNPSGSU-UWJYYQICSA-N 425.282 3.919 50 1 IHGF COc1ccc2c(C)cc(=O)oc2c1/C=N/NC(=O)CSc1nc2ccccc2s1 653838498 DXWJJANCLNCFHD-LSHDLFTRSA-N 439.518 3.962 50 1 IHGF C/C(NNC(=O)c1ccncc1)=C1/C(=O)c2ccccc2[C@]12NCCc1cc(Cl)ccc12 963390397 IYTBTCJAVJEDRZ-DIXABZHVSA-N 444.922 3.529 50 1 IHGF CNS(=O)(=O)NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586943167 VPHIZPWKKLAJDQ-UHFFFAOYSA-N 445.233 3.537 50 1 IHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccnc1Br 95809765 LKQYXHUJRLWEOQ-OEAKJJBVSA-N 447.333 3.979 50 1 IHGF C=C(OCCC[Si](OC)(OC)OC)[C@@]1(C)c2cccc(Br)c2CCN1C 963289037 HWYANSMBLQEEOZ-IBGZPJMESA-N 444.442 3.951 50 1 IHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911583244 OVBGAGDAJJLPTP-SVJWXVJMSA-N 433.457 3.960 50 1 IHGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3ccc(O)c(O)c3)cc2)o1 1772620039 XXQXICPLXBOOKG-ZMOGYAJESA-N 430.420 3.587 50 1 IHGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)/C=C/c2ccccc2)c2ncccc2c1 1857747219 ZCKLVUXJAVUVKT-QFQMRYFISA-N 447.539 3.868 50 1 IHGF O=C(CCl)Nc1ccc(-n2nc(OCCO)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857753055 UHRHTDONQDPBHO-UHFFFAOYSA-N 441.702 3.790 50 1 IHGF COc1ccc(/C=N\NC(=O)COc2ccccc2Cl)cc1Cn1nc(C)cc1C 33333663 WHRVRWRPFVKPIO-MSXFZWOLSA-N 426.904 3.739 50 3 IHGF CCC(=O)NCCc1c(OCCI)ccc2ccc(OC)cc12 26484526 YIHYAZLHBNIPOJ-UHFFFAOYSA-N 427.282 3.731 50 1 IHGF CC(=O)[C@](O)(C[C@H](Br)C(C)(C)O)[C@@H]1CC[C@](C)(Cl)[C@H](Br)C1 2356379277 NCAVHYOPXXEQIC-RKEKIRQTSA-N 448.623 3.792 50 1 IHGF O=C1c2ccc(O)cc2O[C@]2(CC=Cn3c2nc(CCl)cc3=O)[C@H]1c1ccc(F)cc1 587326471 LNVOLDQDRXNMFA-NZQKXSOJSA-N 438.842 3.956 50 1 IHGF COc1cc(C(=O)N/N=C2\C(=O)Nc3ccc(C)c(-c4ccccc4)c32)cc(OC)c1OC 43060470 XCTNGRMHMODBGB-UHFFFAOYSA-N 445.475 3.774 50 1 IHGF CN(C)[C@@H](CCOC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C 238780879 ZJHVGYWBNMZWCG-SJORKVTESA-N 437.802 3.773 50 1 IHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCl)(c2cccs2)N1 587845695 FMSXDNOVZBDPKJ-BMLIUANNSA-N 431.758 3.783 50 1 IHGF CN(C)C[C@H](CCSS(=O)(=O)c1ccccc1)SS(=O)(=O)c1ccccc1 103292692 NIRKBFKQVPMVAQ-INIZCTEOSA-N 445.653 3.551 50 1 IHGF O=C(N/N=C/c1ccco1)N1CCc2ncnc(Nc3cccc(Br)c3)c2C1 1857642949 QZDSPXCWVAKAGA-AUEPDCJTSA-N 441.289 3.678 50 1 IHGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)/C=C/c2ccccc2)c2ncccc2c1 1857747218 ZCKLVUXJAVUVKT-HHNLSAEISA-N 447.539 3.868 50 1 IHGF COc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@H]3Cl)nc12 103282586 SJIPKINHJZZTGP-CABCVRRESA-N 438.340 3.619 50 1 IHGF Cc1c(Cl)c(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 257553278 UHFQTECWVLYLBG-YEDPTJKNSA-N 434.916 3.917 50 1 IHGF endogenous,in-man CC[C@H](C)[C@H](NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)C(=O)NN 43020872 WNFICWNCAVKGJN-JCGORJLMSA-N 434.584 3.837 50 1 IHGF C=C[C@]1(C)C(Cl)=C[C@H]2C(=O)[C@]1(N=C=S)c1cccc3c1[C@](O)(C(=O)N3C)C2(C)C 195880968 VDNAFECSPBXWIH-WOHBTAIZSA-N 428.941 3.702 50 1 IHGF CN(NC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)C(N)=S 1772608335 JBUTZERNRRHEBR-ZRDIBKRKSA-N 443.536 3.692 50 1 IHGF CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587686265 TUYFZYQOIMMCAX-MGNBDDOMSA-N 429.717 3.834 50 1 IHGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1O)[C@@H](C)[C@H](OC(=O)/C=C/c1ccc(F)cc1)O[C@@H]4O3 653704618 QEGYNSGQWPRFCN-RDKSKQJSSA-N 448.487 3.561 50 1 IHGF CC(=O)OCC(=CCCC(C=O)=CC=O)CCC=C(CCC=C(C)C=O)COC(C)=O 2356699499 VZLHZNIVEXBYGF-UHFFFAOYSA-N 432.513 3.775 50 1 IHGF CO[C@H]1C[C@@]2(C)[C@@H](C[C@@H](I)[C@@H]2O)[C@H]2C=Cc3c(ccc(O)c3F)[C@H]12 27424063 NGRZYNKRKBIHIT-OCDPADPISA-N 444.284 3.867 50 1 IHGF C/C1=C\C[C@@]23OC(C)(C)[C@H](Cl)C=C2C(=O)c2c(cc(O)c(c2O)C/C(CO)=C\C1)C3=O 238788508 VTQAZVUVKZOQRT-ZMFYVNNXSA-N 444.911 3.760 50 1 IHGF O=C(O)c1cccc([C@@]2(CBr)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962764339 LRDOECZJNGCWMA-CRAIPNDOSA-N 442.231 3.669 50 1 IHGF CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O 95809776 GKLUHEZEHXWJKR-FLVDCRJSSA-N 446.548 3.783 50 1 IHGF C[C@@]1(c2ccccc2OCCBr)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963227064 FJIMJLXVNMGUOW-UGKGYDQZSA-N 441.325 3.871 50 1 IHGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)CCN4)cc(Br)c1OC 1857770995 QMGBMRXCYAHLOR-SFHVURJKSA-N 428.286 3.652 50 1 IHGF N#CC1=C(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)COC1=O 587883754 WNJRGKQDJZVZFG-UHFFFAOYSA-N 425.271 3.538 50 1 IHGF COc1cc2c3c(c1)O[C@](CCl)([C@@H](C#N)C(=O)NCc1ccc(Cl)cc1)[C@@H](C2)C3=O 587416943 GRVHUCDUGTZOTB-HOIFWPIMSA-N 445.302 3.530 50 1 IHGF COc1cc(O)c2c(c1)C(=O)c1cc(C(Br)Br)cc(O)c1C2=O 29346446 AYAVJRGHHPMOJQ-UHFFFAOYSA-N 442.059 3.670 50 1 IHGF C[C@H]1[C@@H](Oc2ccc(OCC(=O)O)cc2)O[C@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103179126 GHFJFXWHGJIJFX-JXQMNKLVSA-N 434.485 3.737 50 1 IHGF CCOC(=O)C1([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587537063 AAZJSYHGCIFEHU-HRAATJIYSA-N 447.281 3.831 50 1 IHGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CC(N)=O 587688331 LKUVWFWVSZTLCD-GIGQVBGESA-N 442.760 3.508 50 1 IHGF COc1cccc(C(=O)C[C@H]2C(C#N)=C(N)Oc3c(OC)cc(Br)cc32)c1 1857772495 IDUWPNGPJLPBOS-CQSZACIVSA-N 429.270 3.909 50 1 IHGF Cc1ccc(S(=O)(=O)OC[C@@]2(C)O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]2[C@]53OO4)cc1 103190939 VHRWJCFMOPFWET-NMLDVCBUSA-N 438.542 3.705 50 1 IHGF CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587685043 NMRNQTACYSBTNS-MLCYQJTMSA-N 429.717 3.834 50 1 IHGF CC=C[C@H](O)C[C@H](Br)[C@@H]1C[C@H](Cl)[C@H](C[C@@H](O)C=C=CBr)O1 2356791815 IZFZRVDQJDDJAN-JTSICPQESA-N 444.591 3.657 50 1 IHGF O=C1c2ccc(O)cc2O[C@@]2(CC=Cn3c2nc(CCl)cc3=O)[C@H]1c1ccc(F)cc1 587326477 LNVOLDQDRXNMFA-REWPJTCUSA-N 438.842 3.956 50 1 IHGF Nc1cc(Br)ccc1[C@@]1(CCCl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962907139 ZZQZXHJPIBDJEW-WMZOPIPTSA-N 427.701 3.642 50 1 IHGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ncn2C)cc(Br)c1OC 40789572 VDQIPHZGVJIVPD-INIZCTEOSA-N 441.285 3.571 50 1 IHGF Cc1cccc([C@H]2[C@@H](Cl)C(=O)N2C(=O)NCCCn2ncc3ccc([N+](=O)[O-])cc32)c1 199898526 VAGMSLOEHCPLPK-MOPGFXCFSA-N 441.875 3.544 50 1 IHGF