smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 14029150 IDBCSNFJOTYLEZ-UHFFFAOYSA-N 482.606 3.944 50 10 JHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 14038815 QCZKUHVWWLONOT-SFHVURJKSA-N 462.502 3.524 50 10 JHGE C#CCOc1ccc(Br)c(/C=N/NC(=O)[C@H](C)Oc2cccc3cccnc23)c1 20311266 MCJNEEKDBOHEQD-CAUYNWHBSA-N 452.308 3.927 50 10 JHGE COc1ccc(CNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(C)cc3)c3ccccc32)cc1 102673654 WKUQELLHXUHOOH-WCWDXBQESA-N 450.498 3.745 50 10 JHGE CC(=O)OCC(=O)[C@@]1(O)[C@H](Br)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924434 PWVPSOWELFUEGX-DCCLSMNISA-N 467.400 3.755 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccc(OC)cc1OC 252620365 MCQIFWBCXMEXCU-UHFFFAOYSA-N 480.594 3.644 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 398757248 ZQFZTEBIFZDQHY-DCAQKATOSA-N 450.114 3.632 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)COc3cc(C)cc(C)c3)cc2)cc1 1084191845 RBLQOJXPLGRLEI-UHFFFAOYSA-N 452.532 3.909 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(OCc3cscn3)c2)cc1 1215085288 XSEWMTZVNMUMFG-OAHLLOKOSA-N 454.508 3.545 50 10 JHGE O=C(NCCCc1cccc(Br)c1)NNC(=O)c1ccc(Br)cc1 1322601751 RIUAWQJGEDOBOF-UHFFFAOYSA-N 455.150 3.788 50 10 JHGE C=CCNC(=S)NNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1540371720 RRFWIOSANSVWCS-QINSGFPZSA-N 453.549 3.817 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)cc1 1679957820 ZVQDVEQTEMACAX-QLVMHMETSA-N 461.522 3.819 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)Nc3cccc(Cl)c3)c(=O)c2c1-c1ccccc1 1860769632 BJLFAXNGQVVLRO-UHFFFAOYSA-N 467.938 3.940 50 10 JHGE Brc1cc(CO[C@@H]2COC[C@@H]2Br)ccc1I 1904373469 GIGLYGGLTITPOG-GXSJLCMTSA-N 461.919 3.733 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCCC2(CCC2)[C@@H]1Br 1924836603 NNZFQMBTNWKOOV-VQIMIIECSA-N 497.455 3.716 50 10 JHGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1ccc(Br)cc1Br 2101335673 CVJWJKCMBLAWEJ-PSASIEDQSA-N 455.972 3.741 50 10 JHGE O=S(=O)(NCCc1ccc(OCc2ccccc2)cc1)N1CCC(Br)CC1 2162209234 KVDXIOIBIRBKOF-UHFFFAOYSA-N 453.402 3.502 50 10 JHGE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NS(=O)(=O)N2CCC(Br)CC2)c1 2162589391 PZTVSUZJCDIPFT-CYBMUJFWSA-N 462.410 3.788 50 10 JHGE O=S(=O)(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1cc(Br)cs1 2192576406 OWAKZZFGTOOILU-IONNQARKSA-N 457.131 3.752 50 10 JHGE CC1(C)CN(S(=O)(=O)c2ccc(CBr)cn2)CCCN1Cc1ccccc1 2193722773 YUJTYEKXKUGVPX-UHFFFAOYSA-N 452.418 3.652 50 10 JHGE Cc1cccc(C(=O)N[C@@H](CBr)C[C@@H]2CCOC2)c1I 2195479607 RJOMAUWRUPDHTK-NWDGAFQWSA-N 452.130 3.520 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNc1ncccc1B1OC(C)(C)C(C)(C)O1 2217456734 TUKOQRDYBWVHDO-UHFFFAOYSA-N 455.455 3.699 50 10 JHGE CC1(C)OC[C@H](NC(=O)Cc2cc(Br)cc(Br)c2)[C@@H]1Br 2295311698 NURGRYYYBXUDCM-AAEUAGOBSA-N 469.999 3.811 50 10 JHGE CC1CCC(NC(=O)C(C#N)=Cc2cn(CCC(N)=O)nc2-c2cccc(Br)c2)CC1 2297539350 JHHCXQCFUXXFOB-UHFFFAOYSA-N 484.398 3.790 50 10 JHGE COc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc(Br)c1O 2328835264 YTPFGNKQSIZRNC-UHFFFAOYSA-N 458.353 3.699 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N(CCBr)CC(C)(C)C 2338672081 DFOVIXJIFRSFIW-UHFFFAOYSA-N 460.008 3.828 50 10 JHGE C[C@H]1CC(OC2(CBr)CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)S1(=O)=O 2352655992 IVDCELFHWHIHAS-KBPBESRZSA-N 454.427 3.522 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355687551 IGOOHWOAVGFZMH-KBVBSXBZSA-N 467.983 3.694 50 10 JHGE CC[C@@H](C)[C@@H](CI)NC(=O)Cc1ccc(OC)cc1Br 2364184740 QPTZVSBDVFZEEB-QMTHXVAHSA-N 454.146 3.966 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](CBr)C2(CCC2)C1 2364194278 DRWGQVZQNQTCDC-KRWDZBQOSA-N 497.455 3.670 50 10 JHGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)COc1ccc(Br)cc1Cl 13978085 LSOKHTJNEHIWJO-UHFFFAOYSA-N 489.153 3.701 50 10 JHGE CCCOc1ccc(C(=O)NNC(=O)/C=C\c2ccc(OC(F)F)c(OC)c2)cc1OC 34869464 YFTJUZXRLWLMTO-POHAHGRESA-N 450.438 3.568 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCC[C@H](C)Br)cc1Br 136989983 IJTKGTYXYJWWQJ-QMMMGPOBSA-N 464.017 3.972 50 10 JHGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)C(Oc1ccccc1)Oc1ccccc1 252636353 XHXSHWXZVNIVIC-UHFFFAOYSA-N 486.278 3.997 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 252639050 YIBARODZCCTIDU-UHFFFAOYSA-N 471.410 3.756 50 10 JHGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cnccn2)cc1OC 254770838 RIJACNHRVXHKGP-UHFFFAOYSA-N 456.458 3.630 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2cc(Br)ccc2Br)C1 311962135 NOKDZIUBUVCLBM-UWVGGRQHSA-N 455.972 3.836 50 10 JHGE CN1C(=C(C#N)C(=O)CCC(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)N(C)c2ccccc21 726784413 WUDGXYSDKOCLLK-UHFFFAOYSA-N 467.533 3.958 50 10 JHGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)CSc2ccc(Cl)cc2)CC1 727363855 FYSQJHXOXNOGBO-UHFFFAOYSA-N 475.014 3.544 50 10 JHGE N#Cc1ccc(OCC(=O)NNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc1 730511951 FAAQQMSCPLZCSI-JOCHJYFZSA-N 453.857 3.697 50 10 JHGE C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C\c1cc(Br)ccc1OC(F)F 1086849177 AHHQKPLVHSIYRN-WDDYJBPVSA-N 473.245 3.818 50 10 JHGE CSCc1ccc(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860770074 RRCODINOZYITMM-UHFFFAOYSA-N 478.599 3.758 50 10 JHGE C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866628705 VGRRZOKTYSGLMO-CQSZACIVSA-N 493.010 3.600 50 10 JHGE C[C@H](Br)[C@H]1C[C@H]1NC(=O)c1cc(I)ccc1Br 2011204659 NJRULKRAYDFATN-FMTFEUNWSA-N 472.946 3.955 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC(F)(CBr)C1 2026219987 ADFRKOXICHJITN-UHFFFAOYSA-N 476.909 3.613 50 10 JHGE Cc1cccc(C(=O)N2CCO[C@@H](CBr)C2(C)C)c1I 2159640825 UKONLYZIXGHKFM-LBPRGKRZSA-N 452.130 3.614 50 10 JHGE BrCc1nnc2n1CCN(Cc1ccc(Br)cc1Br)C2 2171800794 UFXCVODBWXZPAC-UHFFFAOYSA-N 464.987 3.714 50 10 JHGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2cc(CBr)n(C)c2)C1 2179820269 WDXQRWMZAWSEPU-GOSISDBHSA-N 454.434 3.595 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@@H](CBr)C12CCC2 2190363028 KVJIIEMLTJGTIB-JTQLQIEISA-N 450.114 3.777 50 10 JHGE CN(Cc1ccccc1I)S(=O)(=O)c1occc1CBr 2280334794 HAMHTJMWSNCREJ-UHFFFAOYSA-N 470.126 3.600 50 10 JHGE CNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(C)cc1 2293198169 CAMDOVQGCZUETM-GOSISDBHSA-N 456.365 3.930 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCOC[C@H]1CBr 2295310820 BWMPHRFKCZQOKO-ZWNOBZJWSA-N 469.999 3.670 50 10 JHGE O=C(N[C@H](CCCl)COCc1ccccc1)c1ccc(I)c(O)c1 2303729150 WYTPKGFPKOKLRL-OAHLLOKOSA-N 459.711 3.941 50 10 JHGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)[C@@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)c1 2314760314 KPRWNTUHSUOFDL-KSFYIVLOSA-N 460.486 3.773 50 10 JHGE CCN(CC)CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)cc1 2331122766 HZBKMSWYKQDSTQ-UHFFFAOYSA-N 465.550 3.756 50 10 JHGE Cn1ncc(I)c1-n1c(CCl)nc2c(Br)cccc21 2353546467 FSMCGYWMXGQZHZ-UHFFFAOYSA-N 451.493 3.865 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2355426072 LZFAAXBQFHUVPG-IQJOONFLSA-N 488.039 3.863 50 10 JHGE C[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CC[C@@H]1CCBr 2364025573 ZLDXMPQQPAJUOY-IUCAKERBSA-N 472.019 3.828 50 10 JHGE CCOCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 9825663 UBENVLSKOYFSNE-UHFFFAOYSA-N 479.371 3.828 50 10 JHGE CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 13995504 PNARXFNNUALOLS-HNNXBMFYSA-N 455.736 3.795 50 10 JHGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\Nc2c(Br)cc([N+](=O)[O-])cc2Br)C1=O 101230756 VMXVOMMDUHJOSL-XYOKQWHBSA-N 496.115 3.810 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H](CCl)O1 235353949 CHDANYKNSRSMEU-PSASIEDQSA-N 458.521 3.522 50 10 JHGE N#Cc1ccc(N2CCC[C@H]2C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 728160464 MKWHCONXGSDECK-QHCPKHFHSA-N 458.493 3.706 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)n1 761410153 KYLBVNUEAWPZBD-FSJBWODESA-N 483.572 3.999 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCN1C(=O)COc2cc(Br)ccc21 915281839 ZPPOBFIXTQXIKK-UHFFFAOYSA-N 461.268 3.807 50 10 JHGE Cc1ccc(C=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1 1084439934 FCEDSRHWXFKMSK-UHFFFAOYSA-N 473.400 3.752 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)c2cc(C)c(CC)s2)nnc1-c1cccc(C)c1 1559321562 XHNONLRIICEAPU-UHFFFAOYSA-N 455.609 3.925 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)[C@@H](C)Oc4ccc(Cl)cc4)c(=O)c23)cc1 1865844853 ALOFQXYKNOGNKE-OAHLLOKOSA-N 496.976 3.702 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2c(Br)cccc2Br)[C@H]1Br 1910987701 ZEGZYEIULUWTJW-GXSJLCMTSA-N 455.972 3.882 50 10 JHGE O=S(=O)(CCCl)Nc1cc(Br)c(Br)c(Br)c1 1938596422 NWKILXDICJXJTA-UHFFFAOYSA-N 456.381 3.955 50 10 JHGE BrC[C@]12C[C@@H]1CN(c1ncc(I)cc1Br)C2 1988534884 QDFNQNLQHNGSMW-HQJQHLMTSA-N 457.935 3.670 50 10 JHGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)c2cccc(CCl)c2)C1 2044693296 JLPDDSCXFNMIAV-UHFFFAOYSA-N 481.014 3.598 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2[C@H](CBr)[C@@H]2C1 2061576956 RUTQAVBVAAGALO-JGPRNRPPSA-N 484.957 3.767 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc(F)cc1NS(=O)(=O)N1CCC(Br)CC1 2106305694 QVQQAXOKKVYRFM-UHFFFAOYSA-N 452.346 3.689 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146693180 MFZFAKRTDZJTAA-XDTLVQLUSA-N 467.983 3.979 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC1(C)C 2163056132 ONEJRJSECHAAKR-OAHLLOKOSA-N 461.422 3.753 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Cl)c1ccc(I)c(Br)c1 2206470767 JSTLOYRGECZNLU-NEPJUHHUSA-N 470.532 3.712 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@]2(CBr)C1 2277928063 NSOVYTFDCWCMBA-YGRLFVJLSA-N 451.984 3.998 50 10 JHGE O=C(c1c(F)cccc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2282786439 FSQYMUOZVQPKGX-BSCUDYGSSA-N 456.068 3.909 50 10 JHGE CCCN1CC[C@H]([C@H](Br)c2c(F)cccc2I)S1(=O)=O 2282905976 WYIDIJHHJVZFHJ-YPMHNXCESA-N 476.149 3.680 50 10 JHGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)NCc1ccco1 2296542749 IVXSNVIHTTVZLF-UHFFFAOYSA-N 456.458 3.620 50 10 JHGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 2318462124 BZKZDGUHTNLKCI-MRXNPFEDSA-N 461.518 3.835 50 10 JHGE CCOc1ccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1[N+](=O)[O-] 2323648619 ZFPJNTOATBOWJA-UHFFFAOYSA-N 454.870 3.621 50 10 JHGE ClC[C@@]12CN(Cc3ccc(I)c(Br)c3)C[C@H]1CCO2 2349833381 XNURKRDOLUBLQM-BXUZGUMPSA-N 456.549 3.883 50 10 JHGE CO[C@@H]1CN(Cc2ccc(Cl)cc2I)[C@@H](CBr)[C@H]1OC 2366714200 GTVJKDLHNXBFGY-BFHYXJOUSA-N 474.564 3.554 50 10 JHGE O=C(NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 13619690 IUQWFMAVIKBEJX-QHCPKHFHSA-N 465.550 3.838 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)c(Br)c1 14016881 RKZCGULAPWEDGH-UHFFFAOYSA-N 491.382 3.630 50 10 JHGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1ccccc1Br 14018029 PIQCCQKBWXRZKZ-UHFFFAOYSA-N 456.134 3.668 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1)c1ccc(Cl)cc1 14039679 QQJCTUQHWWSFIM-UHFFFAOYSA-N 469.950 3.747 50 10 JHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)cc1 40823427 LPDYFPJXOKBZJN-XIEYBQDHSA-N 450.447 3.966 50 10 JHGE Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)cc1Cl 59148349 JHAPZBSTBIFABL-COOPMVRXSA-N 463.921 3.973 50 10 JHGE COc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)cc(OC)c1OC 97136596 SMBKJEBCOYBTIP-LSHDLFTRSA-N 451.317 3.621 50 10 JHGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(-c2ccccc2)cc1 254644243 HEVNDTFAZBLIQI-UHFFFAOYSA-N 464.489 3.721 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 761396086 BSFHPBVRRGKUPF-DAQNXSASSA-N 483.484 3.670 50 10 JHGE Cc1nn(CC(=O)NN=C2C[C@H]3CC[C@@]2(C)C3(C)C)c(C)c1S(=O)(=O)N1CCc2ccccc21 1087008821 BQZHTARQYBSTCA-KBMIEXCESA-N 483.638 3.570 50 10 JHGE CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(CBr)cc1 1260507353 FKOPKBAYOIBXJV-UHFFFAOYSA-N 461.422 3.992 50 10 JHGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)c2ccccc2Br)cc1 1668389287 IICPSLUNMJPGBB-UHFFFAOYSA-N 457.328 3.730 50 10 JHGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1OC 1865757231 STGDINKJXKEXOL-VZUCSPMQSA-N 453.445 3.827 50 10 JHGE COc1ccc(/C=C(\C(=O)NNC(=O)c2sc(-c3cnccn3)nc2C)c2ccccc2)cc1 1865757863 YGYHACXMFIEVJW-ZHZULCJRSA-N 471.542 3.919 50 10 JHGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)CCC(=O)c2ccc(C)cc2C)CC1=O 1865760236 NSMIMBOADUTZPD-NRFANRHFSA-N 463.578 3.592 50 10 JHGE COc1ccc2[nH]cc(/C=N/NC(=O)COc3ccc(C(=O)NCc4ccccc4)cc3)c2c1 1873496424 QOMAWSITEJKUNV-MUFRIFMGSA-N 456.502 3.636 50 10 JHGE CN(CCCCI)Cc1c(Br)c(Br)nn1C 1901066294 XURAFUWQUUCMOO-UHFFFAOYSA-N 464.971 3.592 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCCC2(CCC2)[C@H]1Br 1924836601 NNZFQMBTNWKOOV-LPHOPBHVSA-N 497.455 3.716 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1csc(I)c1 1985349884 HWWWZCQYFYIGMB-UHFFFAOYSA-N 488.438 3.989 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H](F)[C@H](Br)C1 2026222350 XGNGZCQVNRZUDO-RKDXNWHRSA-N 476.909 3.611 50 10 JHGE CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2053527746 QUNRDYCPVGRBCD-HXUWFJFHSA-N 496.972 3.698 50 10 JHGE Cc1sc(C)c(S(=O)(=O)NC[C@@H](CBr)C(F)(F)F)c1Br 2161574542 FGLGXWQNGQZHBM-SSDOTTSWSA-N 459.147 3.979 50 10 JHGE Oc1ncnc(N2CCC[C@@]3(CBr)CCCC[C@@H]23)c1I 2165250459 URRAYRWMLKQWHR-QMTHXVAHSA-N 452.134 3.711 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@H](Br)C2(CCCC2)C1 2174363875 JTBRCXQEZUNINT-ZDUSSCGKSA-N 450.114 3.777 50 10 JHGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1c[nH]c(CBr)c1 2190546554 HMNLMAYYHFWBAN-MFHCWRBVSA-N 453.402 3.914 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CCO[C@]2(CBr)C1 2231364262 WRCJDISVIICYBM-JMCQJSRRSA-N 474.012 3.899 50 10 JHGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cc(C)ccc1I 2232221772 CTWRDXPAQCHSMJ-GFCCVEGCSA-N 460.175 3.707 50 10 JHGE Cc1ccc(C(=O)N[C@H](C)c2nnc(CBr)s2)cc1I 2232839490 WCJDUKVZYYXPME-MRVPVSSYSA-N 466.142 3.837 50 10 JHGE CC(C)[C@@H](COc1ccc(B(O)O)c(C(F)(F)F)n1)N(Cc1ccccc1)C(=O)OC(C)(C)C 2240286562 DKQJWWQIEVUCEV-GOSISDBHSA-N 482.308 3.621 50 10 JHGE CC(C)c1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 2325885148 GHGFVMIAFVOLQH-MRXNPFEDSA-N 464.591 3.882 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC2CC(Br)C2)C[C@H](P(C)(C)=O)C1 2344191286 NGGZCVWYYNFDJQ-SHWKFHJASA-N 451.342 3.524 50 10 JHGE CC(C)[C@H]1C[C@@](C(=O)O)(N(C)CC2CC(Br)C2)CN1C(=O)OCc1ccccc1 2350753825 NLKULGJOVPGTRD-OZODEMHJSA-N 467.404 3.982 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCCC[C@@H](Cl)C1 2364215091 RDUPSIDIMQMYQO-ZWKOTPCHSA-N 455.020 3.950 50 10 JHGE CCOC(=O)[C@@H]1C[C@H](Br)[C@H](OCc2cccc(I)c2)C1 2367354068 YNRJHMMAANWNBT-KWCYVHTRSA-N 453.114 3.913 50 10 JHGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C/c3ccc([N+](=O)[O-])o3)c2C)c1 9090892 JMQYTODNXLKEEF-GZTJUZNOSA-N 477.429 3.958 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(F)cc2)c(Br)c1 12489441 NEDKLKYMEIDKAM-BJMVGYQFSA-N 494.386 3.826 50 10 JHGE O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 13977244 ZGRQJXPPWDOJRJ-FPYGCLRLSA-N 483.352 3.587 50 10 JHGE Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Br 13994156 IMJDQERFCOQRCK-LBPRGKRZSA-N 486.160 3.514 50 10 JHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 14032411 CYKAFATUHYSIHT-UHFFFAOYSA-N 451.548 3.733 50 10 JHGE CC(C)Oc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 14664261 JQYSZFGDOJDZBG-UHFFFAOYSA-N 486.160 3.839 50 10 JHGE CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CCl 27315238 BXNJBFCUDNXPPQ-LEWJYISDSA-N 460.958 3.569 50 10 JHGE COc1ccccc1OCc1nc(C(=O)NC2CCC(NC(=O)CCCCl)CC2)cs1 34905699 WQEZYXHDEXGFPJ-UHFFFAOYSA-N 466.003 3.907 50 10 JHGE Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)[C@H](C)Cl)CC3)c12 35908835 MUPIRLYMLOYXQX-SFHVURJKSA-N 474.996 3.991 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38654501 VIEAVZKPTXUASJ-HSZRJFAPSA-N 488.412 3.706 50 10 JHGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccccc3C)c2[N+](=O)[O-])cc1Cl 40657741 MQDKTIZZILANJB-UHFFFAOYSA-N 458.862 3.864 50 10 JHGE O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)Nc1cccc(Br)c1 59248403 ZWSOBEBYOUAFSZ-VXLYETTFSA-N 472.137 3.797 50 10 JHGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2OC)cc1 100154459 GNNPKTYWMDMMPE-UHFFFAOYSA-N 473.595 3.759 50 10 JHGE Cc1cccc(Cn2cccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3C)c2=O)c1 109108676 IWPQYKRIWWZNCX-UHFFFAOYSA-N 467.953 3.787 50 10 JHGE COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 206277365 AGNJPHSFEYDKDG-ATVHPVEESA-N 452.492 3.647 50 10 JHGE N#C/C(=C/Nc1ccc(C(N)=O)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216503469 QEBQUJSJVMBGLC-GFMRDNFCSA-N 465.557 3.539 50 10 JHGE COc1cccc(C(=O)NN=c2oc3c(OC)cccc3cc2C(=O)NCc2ccccc2)c1 254407753 RAJJYBOOYNQNRN-UHFFFAOYSA-N 457.486 3.626 50 10 JHGE O=C(Cl)c1cnc(I)c(I)c1OC(F)(F)F 396180935 NLKOQCKBTLWESA-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE O=C(NCC1(CCl)CCOCC1)c1cc(Br)ccc1I 700890595 QDCMNKGCQPSKOB-UHFFFAOYSA-N 472.548 3.819 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)cc(I)c1OCC 725385875 GTCICAXDSKQAAW-UHFFFAOYSA-N 482.274 3.581 50 10 JHGE CCN(CC)C(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 854206755 FXJJCHBHEUPRMK-OKSBFYSISA-N 453.930 3.824 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccccc2Cn2cccn2)c(-c2ccccc2)n1 914466071 FOQVOXBKYWSYOW-LFVJCYFKSA-N 461.529 3.932 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1 1083908980 ZEJABNPCYRIPHZ-UHFFFAOYSA-N 481.574 3.666 50 10 JHGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1 1084118333 OLUFRPAZGKRQLO-UHFFFAOYSA-N 472.910 3.594 50 10 JHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)c2ccccc2)cc1 1084300324 FSBIBDBYMZKPDC-UHFFFAOYSA-N 475.929 3.833 50 10 JHGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084395656 MAWGIGGAYMMPJG-UHFFFAOYSA-N 499.564 3.887 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2ccc(F)cc2)nnc1-c1ccc(Br)cc1 1084593759 VSUPZNJHHNTWGD-UHFFFAOYSA-N 477.363 3.583 50 10 JHGE COc1ccc2[nH]cc(/C=N/NC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)c2c1 1860773825 GNPMLCDERHJCAZ-JMBVGHESSA-N 463.563 3.784 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H](F)[C@H](Br)C1 1888470878 VXLOZEYMTIPXSC-MUWHJKNJSA-N 455.958 3.862 50 10 JHGE C[C@H]([C@@H](Br)c1cccc(Br)c1Br)S(=O)(=O)N(C)C 2031483296 BRDWATSOTQUTQT-GMSGAONNSA-N 464.017 3.928 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)c1cc(Br)sc1Br 2049905022 AIIGWDLEWWMVEJ-LLVKDONJSA-N 462.001 3.899 50 10 JHGE CCOC1(CBr)CN(C(=O)c2ccc(Br)cc2Br)C1 2116388287 KCTCJNWGESDMFH-UHFFFAOYSA-N 455.972 3.838 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC2(C1)OCCC[C@@H]2Br 2159663770 WLOULGIBWPSTJG-LBPRGKRZSA-N 470.532 3.713 50 10 JHGE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163055204 FDASVMWEWFGADW-ZBFHGGJFSA-N 461.422 3.895 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@]2(CCl)CCC[C@@H]12 2165230812 BMSBUSUHIJQQFH-DENIHFKCSA-N 453.004 3.656 50 10 JHGE C[C@@H](CBr)N1CCN(C(=O)c2cc(Br)ccc2Br)CC1 2169358901 UMUNRVXRAJOUJN-JTQLQIEISA-N 469.015 3.753 50 10 JHGE O=S(=O)([C@H]1CC[C@H](CBr)C1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179825813 LPFWVCBPZXYTCM-PMACEKPBSA-N 455.462 3.868 50 10 JHGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1ccc(I)c(Cl)c1 2195488943 GBSWSGLZUNUPTC-GXSJLCMTSA-N 472.548 3.865 50 10 JHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)cc(B(O)O)c1 2268642509 FPWGYFBWGSHYNR-DWXRJYCRSA-N 486.377 3.567 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277950205 URARNOCTGYIROH-QNWHQSFQSA-N 473.024 3.808 50 10 JHGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(C)=C(C#N)C1=O 2314620323 MZOIJLQFCCRIAF-UHFFFAOYSA-N 468.893 3.772 50 10 JHGE CCc1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)c(Br)c1 13980280 JMSOGUXRDMNDCQ-UHFFFAOYSA-N 481.144 3.625 50 10 JHGE COc1ccc(C(=O)COC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1OC 22207306 FLIIFSRQMZJJLC-IOAQBMTJSA-N 452.507 3.634 50 10 JHGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38687306 QUKDBAGSMXCCOK-ZEQRLZLVSA-N 456.454 3.659 50 10 JHGE Cc1nc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)sc1C 40783107 BXAQEOREPQKHEO-UHFFFAOYSA-N 454.343 3.705 50 10 JHGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc([N+](=O)[O-])c1O 40950702 HOVBHHQHYCUBQQ-QPSGOUHRSA-N 486.706 3.871 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1 58893051 FCIFRDSZTQMNKV-XNQWGTPPSA-N 465.344 3.829 50 10 JHGE O=C(CCc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)cc(Br)c1O 59152174 WPOUFCQILJQRDI-DNTJNYDQSA-N 470.117 3.729 50 10 JHGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 207191484 XTEZEGXUCXSJAY-KEMSESEUSA-N 476.529 3.869 50 10 JHGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@H](CCl)O1 232796335 FCTSVKYCXVMPJB-JTQLQIEISA-N 472.548 3.912 50 10 JHGE C[C@@H]1[C@@H](NC(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CCC[C@H]1C 761413956 BDORHZWZWXYYTR-OGMBPGDISA-N 459.550 3.855 50 10 JHGE CCCCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)[C@H]1CCS(=O)(=O)C1 832926892 HJHHOKDTXWJFIU-CBIIRDDDSA-N 457.571 3.956 50 10 JHGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)O 1084103800 WDIQHLZEFPBYMF-UHFFFAOYSA-N 461.268 3.821 50 10 JHGE C=CCNc1ncc(C(=O)NNC(=O)c2ccc(COc3ccc(OCC)cc3)cc2)s1 1135688906 KADGNCRWWOFAIL-UHFFFAOYSA-N 452.536 3.794 50 10 JHGE C#C[C@H](CC)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1568621516 WDEOXZRZFQKDBP-QIPHDZALSA-N 453.449 3.509 50 10 JHGE BrC[C@@H](CN1CCn2c(Cc3cccc(Br)c3)nnc2C1)C1CC1 1658442557 QJIZDVYIILYIEI-HNNXBMFYSA-N 454.210 3.868 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c(OC)c2)cc1 1865706548 ZCTFVUAPXQKVEE-KRWDZBQOSA-N 458.396 3.832 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865708928 JJTVLAKKCMVGCA-IBGZPJMESA-N 465.307 3.948 50 10 JHGE COc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCC(=O)Nc1ccccc1 1873795203 BTKPSLMNYJWLQR-HGQHNSGJSA-N 498.580 3.712 50 10 JHGE ClCc1cc(-n2cnc(I)c2I)c(Cl)cn1 1899996013 OVPXGMZKADZILJ-UHFFFAOYSA-N 479.874 3.869 50 10 JHGE O=S(=O)(C[C@H](Br)c1sccc1I)N1CCCCC1 2028943612 ZCGYOPVUYSUEDX-VIFPVBQESA-N 464.188 3.604 50 10 JHGE O=S(=O)(O)c1cc(N=C=S)ccc1C=Cc1ccc(N=C=S)cc1S(=O)(=O)O 2040825666 YSCNMFDFYJUPEF-UHFFFAOYSA-N 454.532 3.819 50 10 JHGE O=S(=O)(NC[C@H]1C[C@@H](Br)C1)c1ccc(Br)cc1Br 2076162457 HGSCNYYBLSOLBK-OTSSQURYSA-N 462.001 3.663 50 10 JHGE CN(C1(CCl)CC2(CCC2)C1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2164587351 IDCFLBBLMWVHNL-UHFFFAOYSA-N 453.004 3.656 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2C(C(F)F)[C@H]2C1 2192281053 APFWIFUMCHPWRJ-BQBZGAKWSA-N 451.152 3.537 50 10 JHGE COCCN(CCCCCI)C[C@H]1CCCN1C(=O)OC(C)(C)C 2214705573 UTLZJUMVOAEYAU-MRXNPFEDSA-N 454.393 3.940 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NCCCCI)C2 2243588230 AVZMWJUMUHPASC-WAIKUNEKSA-N 456.390 3.843 50 10 JHGE CN(Cc1cccc(I)c1)S(=O)(=O)[C@H]1CC[C@H](CBr)C1 2280350938 CTYHAEYUQKNWNK-FZMZJTMJSA-N 472.186 3.616 50 10 JHGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(I)c(O)c1 2283925088 WYWRCWYFMLWOLX-CCUNJIBTSA-N 450.114 3.680 50 10 JHGE O=C(N[C@H](CCCl)COCc1ccccc1)c1cc(I)ccc1O 2303706461 BPXMMLXXMNVYDM-OAHLLOKOSA-N 459.711 3.941 50 10 JHGE CC(C)N(C[C@@H](C)Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316816515 AREFHFOVJVVJPJ-MRXNPFEDSA-N 473.433 3.667 50 10 JHGE CCOc1ccc(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1[N+](=O)[O-] 2323652544 XYNXQLPWZDOKOZ-UHFFFAOYSA-N 454.870 3.621 50 10 JHGE CCOC(=O)C1CCN(C(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 2324561030 CXOQALZUBJVRIP-UHFFFAOYSA-N 486.616 3.603 50 10 JHGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CCCl 2364197691 OBKCMVJFFCUBND-KRWDZBQOSA-N 455.020 3.760 50 10 JHGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 13619735 HGXNGLNUVYBCHL-MRXNPFEDSA-N 483.746 3.500 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)c1C 33499340 XITOVUXWCXPMOY-RMORIDSASA-N 453.583 3.534 50 10 JHGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40584335 XIYPQQFQQRYZEB-UHFFFAOYSA-N 463.237 3.921 50 10 JHGE Cn1c(=O)n(C)c2cc([C@@H](Br)c3ccc(I)cc3)ccc21 51393084 GAMYWYLEJXOTBJ-HNNXBMFYSA-N 457.109 3.966 50 10 JHGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc(O)cc1 59153299 GUPYCKRPOUVSAR-DAFNUICNSA-N 464.319 3.878 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1 59486852 AZNRJZKOFVAYRF-UQQQWYQISA-N 479.566 3.925 50 10 JHGE C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)=N/NC(=O)C(=O)Nc1cccc(Cl)c1C 100089864 IAFLODDNRDMHCV-VROXFSQNSA-N 466.281 3.669 50 10 JHGE CC(=O)Nc1cccc(NC(=S)N[C@@H](NC(=O)C(Cl)Cl)C(Cl)(Cl)Cl)c1 100917239 ANNUYZGIRQZTEI-LLVKDONJSA-N 466.605 3.548 50 10 JHGE Nc1ccc(O)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382740087 ZAYCZQAIGYKEHQ-RHSMWYFYSA-N 452.292 3.762 50 10 JHGE C[C@H]1CO[C@@H](CCl)CN1C(=O)c1ccc(I)c(Br)c1 721619126 KZFFSGFSUDYYRV-WPRPVWTQSA-N 458.521 3.522 50 10 JHGE O=C(CNc1ccccc1)NNC(=O)c1cccnc1Oc1ccc(F)cc1Br 729513616 BXCSNQKBWQHPRQ-UHFFFAOYSA-N 459.275 3.649 50 10 JHGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 1084619304 NSGKPWGIZYUWMX-HXUWFJFHSA-N 489.366 3.832 50 10 JHGE O=C(NNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ccc(Br)cc1 1317717579 IGNLSCPLANSDHL-UHFFFAOYSA-N 485.787 3.650 50 10 JHGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860772470 ZLXQQOOXGXKEJU-DBTPVHCXSA-N 480.590 3.547 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1sccc1Br 2023039169 HOFNQMXMRGVWQE-APPZFPTMSA-N 452.177 3.639 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1cc(Br)sc1Br 2036683934 VHBYRUHTNPFDIY-NKWVEPMBSA-N 462.001 3.945 50 10 JHGE COC[C@](C)(CCCl)NC(=O)c1ccc(I)c(Br)c1 2101776952 ZAHMPYXIXMLXAV-ZDUSSCGKSA-N 460.537 3.818 50 10 JHGE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)S(=O)(=O)c1ccc(CBr)cc1 2163618887 ZSYIDCAKBHIXEH-RHSMWYFYSA-N 461.422 3.848 50 10 JHGE BrC[C@@H]1CCC2(CN(c3ncc(I)cc3Br)C2)O1 2315119930 SFSMWXJVRHXFAE-VIFPVBQESA-N 487.961 3.581 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(F)(F)F)CCN1CCOCCI 2326654781 RVCRPSKLUZPCAE-QWHCGFSZSA-N 480.309 3.606 50 10 JHGE CN(C1CCC(Br)CC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338853244 WJECEVHUDVFKTC-UHFFFAOYSA-N 485.444 3.811 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](CBr)CC1(C)C 2338863738 NPRVRYDRJVRBLB-SSDOTTSWSA-N 457.992 3.581 50 10 JHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(Cl)cc1 12501825 INOOJZHBTDATOT-UHFFFAOYSA-N 473.769 3.701 50 10 JHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 14012689 VOOYHCKUQRKFPF-UHFFFAOYSA-N 476.558 3.595 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 14770294 SSNXSLIGYJEYJL-UHFFFAOYSA-N 462.127 3.995 50 10 JHGE COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 15945118 KHWGXOYKHRFFKB-VEJKBTLKSA-N 473.323 3.794 50 10 JHGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Nc1ccc(I)cc1 40782367 IMVZEJQJBLRGBP-UHFFFAOYSA-N 480.697 3.817 50 10 JHGE COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 59261112 WNXDRCVFZRIOGD-CVKSISIWSA-N 474.546 3.589 50 10 JHGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OC 206502534 FSHWLWDFUMWMMG-MGFYPTAISA-N 494.544 3.781 50 10 JHGE C[C@H](OC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21 215816972 DUHQMDLNRDNVTE-QKKBWIMNSA-N 461.430 3.975 50 10 JHGE Cc1ccc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)o1 254589557 IWPLXVWBQIHVED-UHFFFAOYSA-N 462.491 3.986 50 10 JHGE COc1cc(C=NNC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1 254759700 XSRPSXAIDDPQQQ-UHFFFAOYSA-N 481.508 3.948 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ncsc2Cl)C1 711638073 DYGWABZQBXUMPD-QMMMGPOBSA-N 451.633 3.550 50 10 JHGE Cc1cc(N2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)nc(C(C)C)n1 914465461 GFMTVPOHOSZJFK-QJOMJCCJSA-N 494.603 3.941 50 10 JHGE O=C(CSc1nc2ccccc2s1)NN=Cc1cc(Br)c(N2CCOCC2)o1 1084299597 CGWFUTKRMZQGPL-UHFFFAOYSA-N 481.397 3.731 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C(C)(C)C1 1260513128 QISRNULNJMSFJX-INIZCTEOSA-N 461.422 3.895 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1ccc(CBr)cc1Br 1887893490 QTTYFSOCURLNFI-UWVGGRQHSA-N 476.028 3.748 50 10 JHGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CC(Br)C1 1893137159 PEJLUHTVEOQLBA-KUQKPQIMSA-N 455.393 3.775 50 10 JHGE Cn1ncc(C(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1I 1915749272 HPLUXXREKPENDA-UHFFFAOYSA-N 488.167 3.985 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 2086139045 JXWPRAYBKIIHNI-RTCCRHLQSA-N 484.957 3.767 50 10 JHGE CCCN1CC[C@@H]([C@H](Br)c2cccc(I)c2)S1(=O)=O 2089533984 CNHYHSOASCSJJN-QWHCGFSZSA-N 458.159 3.541 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1cc(Br)c(Br)s1 2122370204 RVQIRZRRUPUZGX-YUMQZZPRSA-N 475.044 3.813 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2123242917 CGXBXGIJMBDSKW-CALCHBBNSA-N 455.443 3.723 50 10 JHGE O=S(=O)(c1csc(CBr)c1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2123243332 IJOSCZXVSRUQSH-DLBZAZTESA-N 455.443 3.786 50 10 JHGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2132361601 BGXRCBWCRCTGAU-FUHWJXTLSA-N 455.443 3.846 50 10 JHGE Cn1nnc(Br)c1CC(CBr)(CBr)c1cccc(F)c1 2145946373 GMLSMJRIDLXVFU-UHFFFAOYSA-N 469.978 3.987 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1cccc(Br)c1Br 2178907301 PIUKFUWVZXJRFV-NXEZZACHSA-N 469.015 3.751 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CCC2(CC1)CSC2 2179784719 CSRWFXKHTGUFDP-UHFFFAOYSA-N 461.266 3.923 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CBr)cc2F)C1 2179789319 PCVUSMSTPDNFFT-MRXNPFEDSA-N 455.393 3.863 50 10 JHGE CN([C@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(OCCBr)cc1 2179858573 QBHYXJYYBMKYJS-PMACEKPBSA-N 454.386 3.829 50 10 JHGE COc1ccc(CBr)cc1S(=O)(=O)N(C)[C@H]1CC[C@@H]1OCc1ccccc1 2179858627 QWCBJUJLAGESFS-ROUUACIJSA-N 454.386 3.958 50 10 JHGE CCCN1CC[C@H]([C@H](Br)c2ccc(I)c(C)c2)S1(=O)=O 2207104970 IDKGDSKKGLQWMN-ZIAGYGMSSA-N 472.186 3.850 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@H](Br)C2)cc1Br 2263362459 HEVGAYXWRKRHGB-ZKCHVHJHSA-N 462.001 3.724 50 10 JHGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3OC)C2=O)cc1 2295914183 IVHFQYCPEITTKP-UHFFFAOYSA-N 483.615 3.700 50 10 JHGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccco2)cc1 2296719376 JGTPNTDRMAPAPH-UHFFFAOYSA-N 456.458 3.620 50 10 JHGE N#CC(=Cc1cc2ccccc2nc1O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 2297435386 LRPYHZJYEWIKKW-UHFFFAOYSA-N 462.531 3.661 50 10 JHGE CC[C@H](C)[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316816126 WTFIWZQCEWZZDJ-YJBOKZPZSA-N 473.433 3.572 50 10 JHGE CCC(CC)[C@H](Br)CNC(=O)c1c(Br)c(Br)nn1C 2338858995 AOHXVFBKEBHBQP-MRVPVSSYSA-N 460.008 3.875 50 10 JHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 9696101 BEFKGQZPEUZENH-UHFFFAOYSA-N 477.167 3.714 50 10 JHGE C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14026874 SPZDKNGKFMOEDD-LLVKDONJSA-N 458.729 3.980 50 10 JHGE Cc1ccc(CNc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40650692 MDWGALDRRJEOEG-UHFFFAOYSA-N 457.288 3.825 50 10 JHGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(F)cc1F 40795558 KDQXTIURZMGMPS-UHFFFAOYSA-N 455.252 3.910 50 10 JHGE COC(=O)/C(C#N)=C\c1ccc(C(c2cccc([N+](=O)[O-])c2)c2ccc(/C=C(\C#N)C(=O)OC)[nH]2)[nH]1 198757490 XLNVWSXNILGVFI-VRNBXGKJSA-N 485.456 3.591 50 10 JHGE C[C@H](NC(=O)/C(C#N)=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCCC2 217204291 USVBCJDNUGHBKA-FVBVXOILSA-N 472.589 3.697 50 10 JHGE Cn1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 254618521 NPXBZQNPQPLOAO-DYUJUIFCSA-N 466.497 3.828 50 10 JHGE C[C@H](CCBr)CCn1cnc(I)c1I 308556582 SQOUONGVQTWSOQ-SSDOTTSWSA-N 482.929 3.904 50 10 JHGE COc1ccc2c(c1)[C@@H](NC(=O)C(F)(F)F)CC2=NNC(=O)C(O)(c1ccccc1)c1ccccc1 1083898218 HBJXUHHURQTFMX-NRFANRHFSA-N 497.473 3.575 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OC)cc2Br)cc1 1084375883 HDOVLLAKERKPHJ-GOSISDBHSA-N 465.344 3.829 50 10 JHGE C=CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 1125953172 AXTLDMBWYCTCIM-DUBROFONSA-N 457.983 3.856 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)C[C@@H]21 1260509436 ZYPCVGHGOMVNOV-HYVNUMGLSA-N 459.406 3.505 50 10 JHGE CCC(CC)C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858989739 HSKRELZNSOUSHS-UHFFFAOYSA-N 474.608 3.865 50 10 JHGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(C(=O)O)[nH]c2ccc(Cl)cc12 1873793325 JEZFKJDLDXGGGZ-GTQIFZCBSA-N 468.963 3.616 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 1882323056 KAQAEUZLFLOAIP-QZTJIDSGSA-N 455.646 3.940 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCCC2)C[C@H]1CCl 1912778751 FZBVRTDLDWLKSR-INIZCTEOSA-N 453.004 3.512 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](I)C1 1994515618 LKGJADBTELXUEK-QMMMGPOBSA-N 461.468 3.594 50 10 JHGE C[C@@H](CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)N1CCCC1 2013716618 UVFXHSODOOIYOC-MAUKXSAKSA-N 452.377 3.692 50 10 JHGE Brc1cc(I)cnc1N1CC[C@]2(C[C@@H](Br)CO2)C1 2082002563 PDHFLDXAXIRIGF-PELKAZGASA-N 487.961 3.581 50 10 JHGE Cc1cccc(C(=O)NC[C@@H]2CC[C@H](CBr)CO2)c1I 2279408453 OUHCVUYRRQJKHF-NEPJUHHUSA-N 452.130 3.520 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1O 2313511461 XOMKRXYQOGZMLD-UHFFFAOYSA-N 463.275 3.617 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)[C@@H](C(=O)OC)CC3)cc1 2314734504 BSRAHWAOPTZWFF-INIZCTEOSA-N 454.504 3.682 50 10 JHGE CC(C)C[C@@H](CBr)CNC(=O)c1c(Br)c(Br)nn1C 2338863951 QKZPEXSGKJLINS-QMMMGPOBSA-N 460.008 3.732 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CCc2scc(Br)c2C1 2361646578 SXEZPPROQIYOLE-UHFFFAOYSA-N 453.168 3.619 50 10 JHGE CCc1nn(C)c(CNCC(F)(F)C(F)(F)CI)c1Br 2361675063 RSCVMDLSBWYIQT-UHFFFAOYSA-N 472.062 3.540 50 10 JHGE COc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 22570045 BTVDLGFIHQFYGU-MHZLTWQESA-N 462.513 3.850 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1 40877578 QHFVYEFDZHDMBM-DEDYPNTBSA-N 466.534 3.781 50 10 JHGE C/C(=N/NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cccc([N+](=O)[O-])c1 96698057 IQQAYISGUPJPMB-BWAHOGKJSA-N 480.546 3.878 50 10 JHGE O=C(CCCCCCCC(=O)NN=Cc1ccccc1[N+](=O)[O-])NN=Cc1ccccc1[N+](=O)[O-] 245263561 ASQXPNGPJAMDMO-UHFFFAOYSA-N 482.497 3.834 50 10 JHGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)=C/c1ccccc1 254766290 LXXKHSYUCVBGML-SPBRFVGGSA-N 474.550 3.652 50 10 JHGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C1 254814672 QJKVYOVXVLIYPC-LJQANCHMSA-N 487.025 3.855 50 10 JHGE N#CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 1084277845 GLAUSSNRYGDPNB-UHFFFAOYSA-N 482.949 3.588 50 10 JHGE CC(=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc(F)cc1 1084573195 XGZJXSBMGYNXOA-UHFFFAOYSA-N 491.390 3.973 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1Cl 1084072152 UZVCGBSWCRANLJ-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502555 UGSILIYZXYELSO-UHFFFAOYSA-N 454.360 3.923 50 10 JHGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623324 QPCOXIXXMGCAAB-DWLFOUALSA-N 451.567 3.554 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3cccs3)cc2)c1 13979394 ULNBLMSJJRTXQN-VAWYXSNFSA-N 464.572 3.658 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1Br 14652960 WHYONAZZYRGFNW-UHFFFAOYSA-N 462.344 3.664 50 10 JHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667041 BCRCVDPQNWXLDR-UHFFFAOYSA-N 493.354 3.501 50 10 JHGE N#C/C(=C/c1c(N2CCCCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2198046 QTUMZEOFHXIYGF-JXAWBTAJSA-N 454.939 3.677 50 10 JHGE CN1CC[C@@H]([C@H](Br)c2scc(Br)c2Br)S1(=O)=O 1941941029 DRYRKWSEZZNOQJ-XPUUQOCRSA-N 468.030 3.743 50 10 JHGE BrC[C@H]1[C@H]2CN(c3ncc(I)cc3Br)C[C@@H]12 1988534864 PZCUINGGKXVXQT-AYMMMOKOSA-N 457.935 3.526 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC[C@@]1(C)COCCN1C(=O)OC(C)(C)C 1993386300 QUCYOKDUVLPIGO-FQEVSTJZSA-N 465.682 3.508 50 10 JHGE C[C@H]([C@H](Br)c1cc(Br)cc(Br)c1)S(=O)(=O)N(C)C 2029074358 JUHSNCJXHUDHOP-HQJQHLMTSA-N 464.017 3.928 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@H](Br)C2(CCCC2)C1 2174362771 DKHNNUWRIVESTF-ZDUSSCGKSA-N 450.114 3.777 50 10 JHGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1ccc(I)c(O)c1 2196158140 WDCRDDHGTUWSTL-ZWNOBZJWSA-N 450.114 3.846 50 10 JHGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2cc(CBr)ccc2Br)C1 2059312979 RUHQJGXOVPIXBN-UHFFFAOYSA-N 488.245 3.849 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2CCO[C@@]2(CBr)C1 2239894419 VRLZYUNRCHGWTO-YGRLFVJLSA-N 470.532 3.571 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H]2OCC[C@]2(CBr)C1 2278863808 ICXMEQWHORFMMB-PELKAZGASA-N 474.012 3.899 50 10 JHGE C[C@@H](Br)COCc1cn(-c2ccc(I)cc2Cl)nn1 2278382270 IAQUKYYVLKLVQT-MRVPVSSYSA-N 456.509 3.825 50 10 JHGE Cc1cc(B(O)O)ccc1NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2269566450 JVQUULAXRLYYPG-AREMUKBSSA-N 486.377 3.567 50 10 JHGE Cc1ccc(B(O)O)c(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 2269565212 BUYYEWLTELBGDF-SANMLTNESA-N 486.377 3.567 50 10 JHGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1ccc(Cl)c(I)c1 2283665024 SMTAHCPENVLYGY-ONGXEEELSA-N 472.548 3.959 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295310916 DFTAANFQZVCQST-CHWSQXEVSA-N 469.999 3.765 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2I)C[C@H]1Br 2340054358 MBCXFPIAOQEHKI-MKPLZMMCSA-N 458.521 3.615 50 10 JHGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)c1O 2321264 BLMKZMFJCWSVEJ-UHFFFAOYSA-N 459.959 3.965 50 10 JHGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1cccc2ccccc12 12490156 MIENIYUQBTXSQO-UHFFFAOYSA-N 457.324 3.824 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1 33389442 YERYFJWUOUYCCD-DTBMRADHSA-N 456.365 3.930 50 10 JHGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 35447510 MGLDNLOKTBHLIK-LTGZKZEYSA-N 487.585 3.533 50 10 JHGE CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2 39918988 LNRVMNXBQSOLEE-AREMUKBSSA-N 472.932 3.749 50 10 JHGE CCOc1cc(/C=N/NC(=O)CSc2nnc(N)s2)ccc1OCc1ccccc1C 40947203 NYDFRGZCAMUAOT-FOKLQQMPSA-N 457.581 3.649 50 10 JHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccccc3Cl)o2)C1=O 101341656 YEDCPNCBKAJQQQ-CPNJWEJPSA-N 468.893 3.772 50 10 JHGE COCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(C(C)C)cc3)cc2oc1=O 206543041 JXJOEFNCRABVQI-NDENLUEZSA-N 460.486 3.805 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(CC)cc3)cc2)cc1 254821862 MQSXEZALGIESGE-UHFFFAOYSA-N 459.502 3.956 50 10 JHGE C[C@@H](c1nc(CCl)cs1)n1cnc(I)c1I 309159018 GHIOFJVRICPFOT-YFKPBYRVSA-N 479.512 3.897 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCSC[C@@H]1CBr 387880937 MISOIBNRKXADCD-VIFPVBQESA-N 460.562 3.897 50 10 JHGE N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1)C(=O)OCCC(F)(F)F 914328424 BUDKNAOXDPBAGN-LCYFTJDESA-N 485.260 3.591 50 10 JHGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084452941 PLFHUDNXTQZIQD-UHFFFAOYSA-N 499.976 3.919 50 10 JHGE CCOC(=O)c1cnc(CBr)c(OC(F)(F)F)c1I 1848387756 SNWLQSBCDCINJU-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cccc(Cl)c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858956804 SBEQLOQKYWBFMI-UHFFFAOYSA-N 489.893 3.656 50 10 JHGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3cccc(OC)c3)nc2C)CC1=O 1865758774 QNLHNUXRQMWCEO-OAQYLSRUSA-N 486.572 3.751 50 10 JHGE Cc1nc(I)c(I)n1-c1ccncc1CCl 1936387666 FIVICHYCDQKUOH-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE CN(C)CCN(CCBr)C(=O)c1cc(Br)sc1Br 2038021468 UVCASSMYAMDLSN-UHFFFAOYSA-N 463.033 3.672 50 10 JHGE Brc1cc(I)cnc1N1CC[C@]2(C[C@H](Br)CO2)C1 2082002566 PDHFLDXAXIRIGF-UFBFGSQYSA-N 487.961 3.581 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Cl)CCO1)c1cc(I)ccc1Br 2097937688 HNYRRIJDUSOSBB-WPRPVWTQSA-N 458.521 3.570 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NCC2(CBr)CCOCC2)C1 2106785666 PWOWUNSKWKFQIZ-HAWMADMCSA-N 453.443 3.675 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC=CC[C@@H]1CBr 2119847820 KNTAQCVOPGQBNR-SNVBAGLBSA-N 474.012 3.926 50 10 JHGE CC(C)[C@H]1CN(S(=O)(=O)CCC(F)(F)CBr)CCN1Cc1ccccc1 2123362856 QALULYKRPHYKIG-QGZVFWFLSA-N 453.393 3.579 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCC2)CC[C@@H]1CCl 2152060413 HVDAURIXWDXOKS-QGZVFWFLSA-N 453.004 3.656 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@]2(NS(=O)(=O)c3ccc(CBr)cc3)C[C@@H]2C1 2162590056 XISWFUWEGBUWNI-BEFAXECRSA-N 459.406 3.649 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2163052626 GAQZMFHJQXFUKH-IFXJQAMLSA-N 461.422 3.753 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1CBr 2179776297 SVEABFZSARUNCS-HDICACEKSA-N 453.402 3.829 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC2(CCC(Br)CC2)C1 2181087105 NYPMRYZQOULZBF-UHFFFAOYSA-N 450.114 3.777 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@H]1Cl)c1cc(Br)ccc1I 2206488330 RVVFABGQSHZIEG-RYUDHWBXSA-N 470.532 3.712 50 10 JHGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1cc(Cl)ccc1I 2279403453 AKUCROVCWDTQKH-ONGXEEELSA-N 472.548 3.865 50 10 JHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C)cc2O)cc1OC 2297624380 PGABLEZWNBPXOY-UHFFFAOYSA-N 459.502 3.639 50 10 JHGE CC(C)[C@@H]1C[C@@](C(=O)O)(N(C)C[C@H]2C[C@H](Br)C2)CN1C(=O)OCc1ccccc1 2351124859 NLKULGJOVPGTRD-ZVVDCOBXSA-N 467.404 3.982 50 10 JHGE CCOCCOc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 10216422 QVXHISYTWAFIMN-UHFFFAOYSA-N 461.518 3.737 50 10 JHGE COc1ccc(/C=N/NC(=O)c2cccnc2)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 13497224 NZFZNKNDLRUYET-RSXURMKNSA-N 474.561 3.991 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1O 48572700 QZZRMRYHCHFOOZ-BUVRLJJBSA-N 453.520 3.664 50 10 JHGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(Cl)c1O 96286796 RVNKCEIFKFSMAS-WYMPLXKRSA-N 468.853 3.979 50 10 JHGE CCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(OCC)c(OC)c3)cc2oc1=O 206543691 QOCPFRHSJPBGJE-WQRHYEAKSA-N 476.485 3.853 50 10 JHGE O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCS[C@H](CCBr)C1 719988842 JSWMIHUTJICYDP-SECBINFHSA-N 463.644 3.994 50 10 JHGE O=C(NN=Cc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1083910958 JGGPYKQJPQSMSY-UHFFFAOYSA-N 484.803 3.654 50 10 JHGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCC(=O)O 1084110608 BQBJMIJMCZKNOE-UHFFFAOYSA-N 461.268 3.821 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)C[C@H]21 1260509435 ZYPCVGHGOMVNOV-DJIMGWMZSA-N 459.406 3.505 50 10 JHGE CC(=O)N[C@@H](C(=O)NNc1cc(Br)ccc1F)c1cccc(Br)c1 1472218156 UVXKGMOUUKRICP-OAHLLOKOSA-N 459.113 3.671 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 1636548789 XPBOXIUATQPWJT-HSZRJFAPSA-N 453.477 3.997 50 10 JHGE O=C(N[C@H](C[S@](=O)C[C@@H]1C[C@@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877475817 HHDGURMDMYIUHK-NEVSDRACSA-N 492.391 3.510 50 10 JHGE O=C(N[C@H]1CCOC[C@H]1CBr)c1cc(Br)ccc1Br 1878684942 SUJXBJYVHWIGKI-PELKAZGASA-N 455.972 3.741 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC([C@@H](F)CBr)C1 2110587290 SEUAQJWLEVKHOZ-JTQLQIEISA-N 479.991 3.565 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H](CCBr)O1 2179375363 PDSGPWHEDWTNIO-GXSJLCMTSA-N 472.548 3.959 50 10 JHGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2cc(CBr)n(C)c2)C1 2179820270 WDXQRWMZAWSEPU-SFHVURJKSA-N 454.434 3.595 50 10 JHGE NNC(=O)[C@@H]1CC[C@H](COc2c(Br)cc(Br)cc2Br)C1 2181780893 DNOCTGXQEHXQDC-JGVFFNPUSA-N 470.987 3.759 50 10 JHGE O=C(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1ccccc1I 2192579081 JDKPBLAGJTVMPK-PWSUYJOCSA-N 462.047 3.985 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1C[C@H](CBr)CO1 2295311516 LUVMVASNSNSFID-ZWNOBZJWSA-N 469.999 3.670 50 10 JHGE O=C(NCCSCCBr)c1cc(Br)ccc1I 2299183697 HEOUCBQCMIISIW-UHFFFAOYSA-N 493.002 3.912 50 10 JHGE COc1ccc(Br)cc1C=NNC(=O)c1cccn(Cc2cccc(C)c2)c1=O 2323613362 UPHYKKYFZBCDTM-UHFFFAOYSA-N 454.324 3.740 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1 14040566 XMYIGEFQPDAOJG-UHFFFAOYSA-N 454.910 3.946 50 10 JHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1)c1nc3cc([N+](=O)[O-])ccc3nc12 33769322 VSYWHWWBYFOMQE-RPWUZVMVSA-N 479.924 3.982 50 10 JHGE Nc1c(NNC(=O)c2ccccc2)ncnc1Oc1ccc(Br)c2cccnc12 40784121 BHSYSNBZYFLXAY-UHFFFAOYSA-N 451.284 3.919 50 10 JHGE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NNC(=O)c1cc(Br)c[nH]1 46902682 NDENSGVREQIDCP-UHFFFAOYSA-N 484.276 3.602 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1ccc(I)c(Cl)c1 232348313 INICQJMQMUSNPO-WPRPVWTQSA-N 458.521 3.569 50 10 JHGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(CC(C)C)cc3)nnn2-c2nonc2N)cc1 254339505 CUAFRNAHYHJEDR-UHFFFAOYSA-N 488.552 3.651 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3F)nc3ccccc3c2=O)cc1 254791443 JXCDOLVVKXARPP-UHFFFAOYSA-N 462.506 3.776 50 10 JHGE Brc1ccc(I)c([C@@H]2CNC[C@@H]2CI)c1 396777618 CTNUEOYJTJCCDM-OIBJUYFYSA-N 491.936 3.792 50 10 JHGE O=S1(=O)CC(CC(CBr)(CBr)c2ccccc2Br)C1 722785037 ZRXDCNWCGGOGSC-UHFFFAOYSA-N 475.040 3.911 50 10 JHGE O=C(NN=Cc1ccccc1C(=O)O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 1084343843 YHSKVECKCZNMKX-DEOSSOPVSA-N 459.527 3.923 50 10 JHGE Nn1c(SCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1cccc([N+](=O)[O-])c1 1084451550 HSDTXGRPEONCSQ-UHFFFAOYSA-N 489.517 3.602 50 10 JHGE C=CC[C@]1(C(=O)NNC(=O)c2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C 1531547196 BRRZFHXVDOCUFE-HXUWFJFHSA-N 452.349 3.556 50 10 JHGE C[C@@H](NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)c1ccccc1 1858688152 KYNDSTDAAUXQNL-CQSZACIVSA-N 454.414 3.996 50 10 JHGE Cc1c(B(O)O)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)OC(C)(C)C 1887522613 YKGMPUZXYCUHIG-UHFFFAOYSA-N 473.334 3.991 50 10 JHGE CC(C)CCN(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1924446808 NAZOULSOQRVINZ-UHFFFAOYSA-N 473.433 3.526 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2C(F)(F)C2(F)F)C1 1985876594 DBHHIRHSJHJZCX-LBPRGKRZSA-N 453.214 3.861 50 10 JHGE O=S1(=O)C[C@H]2C([C@@H](Br)c3cc(Br)ccc3Br)[C@@H]2C1 2054230857 UMLJUTIWOFQQHL-LNLATYFQSA-N 458.997 3.938 50 10 JHGE O=C(NC[C@H](Cl)C(F)(F)F)c1cc(I)ccc1Br 2077139767 BHOZPCVPHJLINV-QMMMGPOBSA-N 456.427 3.953 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 2086145210 JXWPRAYBKIIHNI-RTCCRHLQSA-N 484.957 3.767 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)CCC12CCC2 2140840638 FOTCCCAMWJIVMD-INIZCTEOSA-N 483.428 3.565 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179834918 NYBDPLBFAVMAIY-BURNTYAHSA-N 455.462 3.866 50 10 JHGE COc1ccc(S(=O)(=O)N2CCC[C@H](OCc3ccccc3)C2)cc1CBr 2186380678 KHLRNIIIIYITEV-SFHVURJKSA-N 454.386 3.960 50 10 JHGE C[C@H](CO[C@@H](CI)c1cccc(Br)c1)N1CCOCC1 2186735456 WAXKYUVZUNPDHH-DOMZBBRYSA-N 454.146 3.663 50 10 JHGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1 2295905616 GVKRBTJIZCQGMJ-UHFFFAOYSA-N 471.579 3.831 50 10 JHGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 2318462122 BZKZDGUHTNLKCI-INIZCTEOSA-N 461.518 3.835 50 10 JHGE O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1csc(-c2ccc(C(F)(F)F)cn2)n1 1035785 CJEJTVQEOFHTPY-UHFFFAOYSA-N 496.414 3.866 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)ccc1Br 12494007 ATIVWJKBVPFWOP-UHFFFAOYSA-N 462.344 3.582 50 10 JHGE C[C@H](COC[C@@H](C)OC(=O)Nc1cccc(CN=C=O)c1)OC(=O)Nc1cccc(CN=C=O)c1 111409468 OIKLHRPYUMZODQ-QZTJIDSGSA-N 482.493 3.949 50 10 JHGE COc1cc(/C=N\NC(=O)c2sc(N)nc2C)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169888430 KRGGSPHXCXWTST-RMORIDSASA-N 455.496 3.602 50 10 JHGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)CC(=O)N2C 728278474 HDGKRFJQLCAZAV-QWQBBLJPSA-N 464.529 3.767 50 10 JHGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1084170468 KEZHWYDEWOSKPJ-UHFFFAOYSA-N 471.026 3.926 50 10 JHGE CCOc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1OCC 1084348360 RRPIPGQJGSWVNK-UHFFFAOYSA-N 495.601 3.652 50 10 JHGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCC(=O)OC)c(OCC)c2)cc1 1084394941 GOFBNLMEBXDIMC-UHFFFAOYSA-N 479.327 3.562 50 10 JHGE O=C(NN=Cc1cccc(Br)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1084542511 WBMFHVFTEONSPO-UHFFFAOYSA-N 484.803 3.654 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(OC)ccc2OCC(F)(F)C(F)F)c1 1303280055 ALSFXANTELKMCP-UHFFFAOYSA-N 455.433 3.587 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 1866880287 YSDQLLFBGRNDMS-YKSBVNFPSA-N 484.581 3.979 50 10 JHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(C3CC3)[nH]n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867149913 DTXXAYBNMJBXBK-JOCHJYFZSA-N 489.557 3.765 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1cc(I)ccc1Br 1910141361 HNMYRFRPXACUKW-CPCISQLKSA-N 472.946 3.909 50 10 JHGE CN(C[C@H]1C[C@H]1Br)C(=O)c1cc(I)ccc1Br 2020200924 HNMYRFRPXACUKW-RDDDGLTNSA-N 472.946 3.909 50 10 JHGE O=C(c1sccc1I)N1CC[C@@H](Br)C(F)(F)CC1 2032654725 UAYULNGVZBARTL-MRVPVSSYSA-N 450.086 3.988 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)[C@H]2COC[C@H]21 2040602246 BGHMPSAJKPGNTK-GKROBHDKSA-N 459.985 3.507 50 10 JHGE CCOC(=O)Cc1cc(CCl)c(I)cc1I 2055331246 LLXYMSQYKVVPPR-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE CCOC[C@@H](Br)CNC(=O)c1ccc(Br)cc1I 2086147226 KRRJYXWAHJVLJS-VIFPVBQESA-N 490.961 3.584 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@H](C)C1NC(=O)OC(C)(C)C 2163050574 LASVQZJVQCJIMG-KBPBESRZSA-N 461.422 3.751 50 10 JHGE Cc1[nH]nc(S(=O)(=O)N(C)[C@H]2CC(C)(C)[C@H]2OCc2ccccc2)c1CBr 2179808485 IPDPXFAMVKQSQZ-IRXDYDNUSA-N 456.406 3.617 50 10 JHGE C[C@@H](NC(=O)c1cccc(F)c1I)c1nnc(CBr)s1 2192618865 AJAUSHUDZQFJNT-ZCFIWIBFSA-N 470.105 3.668 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296362789 ZSAPONKGRNHEGO-GXTWGEPZSA-N 467.983 3.838 50 10 JHGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)C(N)=O)cc2OC)cc(OCC)c1OCC 2314738998 RXFRUYRPNVPDRL-UHFFFAOYSA-N 454.479 3.503 50 10 JHGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 2314760592 OPNYGGAFAPDGMN-QFIPXVFZSA-N 460.486 3.773 50 10 JHGE COc1cc(C=NNC(=O)c2cccn(C(C)C)c2=O)cc(Br)c1OC(C)C 2323635158 KGTMAJCYDVPGCL-UHFFFAOYSA-N 450.333 3.751 50 10 JHGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 2331123436 WISNNPAUZOAROQ-UHFFFAOYSA-N 484.559 3.515 50 10 JHGE Clc1ccc(CN2C[C@@H]3[C@@H](CBr)CO[C@H]3C2)cc1I 2337229178 FTCIWKKJVYGXIO-WDMOLILDSA-N 456.549 3.786 50 10 JHGE CC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])c1 40593472 IVWPWWGQKQSCPP-UHFFFAOYSA-N 471.271 3.850 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1ccc(F)cc1 40657974 JUZQJORKOSWEJJ-UHFFFAOYSA-N 465.214 3.926 50 10 JHGE Cc1cc2ncn(CC(=O)N/N=C3/C(=O)N(Cc4ccccc4F)c4ccccc43)c2cc1C 59148374 XIMUTUFWPOWFOT-QCWLDUFUSA-N 455.493 3.860 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@H]2COc3ccccc3O2)cc1OC 254629761 JRUHUMRLAQJBPT-RUZDIDTESA-N 484.512 3.847 50 10 JHGE O=C(CBr)c1ccc(I)c(F)c1I 307438754 UKOPISKVVGMUSY-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE CC(=O)OCC(=O)[C@]1(OO)[C@H](C)C[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@@]21C 504213889 VZKVPNVMKJHQHX-ZTIGQMKISA-N 488.577 3.689 50 10 JHGE C[C@@H](Cc1ccc(Br)cc1)NC(=O)NNC(=O)c1cc(F)ccc1Br 728746521 VKYJSTNHAYRPFB-JTQLQIEISA-N 473.140 3.926 50 10 JHGE O=C(NN=Cc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1084051744 KPMSLFCTFIISIU-UHFFFAOYSA-N 484.803 3.654 50 10 JHGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)c1ccccc1Br 1084526581 VIOXDYQVBKDLLS-UHFFFAOYSA-N 468.355 3.544 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1 1303280418 IFRPKGRGFXKVRO-UHFFFAOYSA-N 458.259 3.960 50 10 JHGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1 1464538810 DAJZYVMZIHYPQU-INIZCTEOSA-N 458.481 3.785 50 10 JHGE C/C(=C\C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(F)c1 1539096984 YNIPFMKHIRZTEJ-WYMLVPIESA-N 459.524 3.553 50 10 JHGE CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccc1Br 1557048155 UBLIWEOJKAAFRO-QGZVFWFLSA-N 456.262 3.884 50 10 JHGE O[C@@H](CBr)CSc1cc(I)ccc1Br 1887827946 NGPRIVRFXSMMRB-ZETCQYMHSA-N 451.949 3.902 50 10 JHGE COC[C@](C)(CBr)CNC(=O)c1ccc(Br)cc1Br 1927000535 QWKWJDMRGZXNOJ-CYBMUJFWSA-N 457.988 3.989 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)CI 2007722638 OEYMUQJWFBCFLS-AWEZNQCLSA-N 466.341 3.723 50 10 JHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C#N)CC1 2010277656 XJEVZCNHKWHWEK-MHECFPHRSA-N 461.562 3.817 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)c2cc(Br)sc2Br)CCO1 2053850466 OHVKGIMXACBHQR-XPUUQOCRSA-N 462.001 3.898 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3cc(Br)ccc3Br)[C@@H]2C1 2054230858 UMLJUTIWOFQQHL-QCMRWSPLSA-N 458.997 3.938 50 10 JHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2cccc(CCl)c2)C1 2140595679 OBOLLCAWAKFWMX-OAQYLSRUSA-N 494.057 3.825 50 10 JHGE CCC(CC)(CBr)CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2163058802 NWBVVCOOJFGGIX-MHZLTWQESA-N 469.490 3.600 50 10 JHGE CCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)C2COC2)cc1CBr 2179827031 ZXGCURDJCNIYNK-UHFFFAOYSA-N 454.386 3.960 50 10 JHGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1ccc(I)c(O)c1 2208040613 UBDIVRHVJDYUNB-GJZGRUSLSA-N 450.114 3.682 50 10 JHGE CCOc1ccc(CCNC=C(C#N)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC 2318462355 HJZKREFZJSOQTR-UHFFFAOYSA-N 466.557 3.511 50 10 JHGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 2324903192 HPEARAJSGJBCII-VTKOLAJRSA-N 465.550 3.800 50 10 JHGE CC(C)[C@@H]1C[C@@](C(=O)O)(N(C)C[C@@H]2C[C@H]2Br)CN1C(=O)OCc1ccccc1 2326062686 BNYJDZKSESDIGN-TWFHAPMSSA-N 453.377 3.592 50 10 JHGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1OC 2331242816 NNTCTCNIVXMLNG-UHFFFAOYSA-N 492.469 3.824 50 10 JHGE C[C@@H]1[C@H](Br)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1C 2344516592 CSZSLFSXBZSNPP-FRQCXROJSA-N 485.444 3.667 50 10 JHGE NNC(=O)[C@H]1C[C@@H]1CCCOc1c(Br)cc(Br)cc1Br 2362617630 RDGLHEPYHFSKHS-CBAPKCEASA-N 470.987 3.759 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCCl)C1CCCC1 2364214240 FSJUORKWCRVCMY-FQEVSTJZSA-N 455.020 3.950 50 10 JHGE COc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])o3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 9629584 BYNUXZISPWOOHE-DJKKODMXSA-N 457.380 3.988 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)c(C)c1 14016826 NPCWNDALSQTSMJ-UHFFFAOYSA-N 467.566 3.516 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38653758 USLSZOQCBZPYKP-NRFANRHFSA-N 458.386 3.940 50 10 JHGE C=CCc1cc(/C=N/NC(=O)CN2CCOCC2)cc(OC)c1OCc1cccc2ccccc12 59247138 CCUCARGMYHBDIJ-RDRPBHBLSA-N 473.573 3.938 50 10 JHGE Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)cc2Cl)cc1 96203392 MENOIJZPAGLJCP-OLROSQPISA-N 453.926 3.868 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(I)c3)cc2)c1 100449497 HIKABCDFIZNDOU-UHFFFAOYSA-N 499.308 3.927 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)CCc2ccco2)nnc1-c1ccc(Cl)cc1Cl 748269942 BHDWQIATJOMWSG-UHFFFAOYSA-N 480.377 3.903 50 10 JHGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCC(=O)OC 1083912825 ALEHYLGAIKLPLG-UHFFFAOYSA-N 475.295 3.910 50 10 JHGE C#CCOc1c(CC=C)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 1083937411 WBNJQWLDBAJALT-HSZRJFAPSA-N 450.535 3.798 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)COc2cc(C)cc(C)c2)cc1 1084597101 VIEGYJLGXQYLBP-UHFFFAOYSA-N 452.532 3.909 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)cc1 1084657471 KDKUJDUFTURRCU-FQEVSTJZSA-N 453.451 3.923 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743543 FKSXLAHSNVVLED-UHFFFAOYSA-N 498.381 3.838 50 10 JHGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)cc1OC 1865709079 NEHUENBHWPUAHO-QHCPKHFHSA-N 481.597 3.720 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc(OC)c1O 1865714054 BNZDEVYPCFYDNR-INIZCTEOSA-N 458.396 3.832 50 10 JHGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)n2)cc1 1865757808 VSFLXFLPXCYRRJ-LJQANCHMSA-N 452.555 3.774 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CC[C@@](C)(CI)O2)C[C@]12CCCOC2 1950594212 SRRXEHITNQLEPL-BZSNNMDCSA-N 451.345 3.919 50 10 JHGE CCOC(=O)Cc1c(I)ccc(CCl)c1I 2055328055 GZWJJSKKZOZARW-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE O=C(NC[C@@]1(CBr)CCCO1)c1scc(Br)c1Br 2073641481 NVVYCIMYHYNDLU-NSHDSACASA-N 462.001 3.947 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)c2cccc(Br)c2Br)CCO1 2117533233 WQCPKPXXGGMGKU-GZMMTYOYSA-N 455.972 3.836 50 10 JHGE O=C(NCC12CC(CBr)(CO1)C2)c1ccc(Br)cc1Br 2159589174 PCTCLSQRIHDJAJ-UHFFFAOYSA-N 467.983 3.886 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](NS(=O)(=O)c1ccc(CBr)cc1)C2 2162588797 KCDMFIXUMOQFMT-YQQAZPJKSA-N 459.406 3.505 50 10 JHGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CCBr)cc2)CN1Cc1ccccc1 2179775007 IYYXOOZSMRSREH-YLJYHZDGSA-N 451.430 3.908 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2247936529 BLORQRDMEUYALG-GASCZTMLSA-N 460.471 3.881 50 10 JHGE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1CCCN(CCOCCI)C1 2326652631 AMZGGKMCQMIPGZ-IRXDYDNUSA-N 466.404 3.940 50 10 JHGE C[C@H](Br)[C@H]1CCCN(C(=O)c2c(Br)c(Br)nn2C)C1 2338863015 DNOJMZQXWOXBQF-YUMQZZPRSA-N 457.992 3.581 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccs2)c(Br)c1 12403549 MMRNPEBWMBGLKE-VQHVLOKHSA-N 496.452 3.922 50 10 JHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 14029757 NURVFNOCKIDYKD-UHFFFAOYSA-N 494.411 3.976 50 10 JHGE CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 14042211 LNNDWIPDSVGBNC-UHFFFAOYSA-N 476.558 3.595 50 10 JHGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(O)c2Cl)c1 15015914 PDALCWZCBBRBHD-VXTUIVDASA-N 479.920 3.984 50 10 JHGE O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1cc(Br)cc(Br)c1O 20478384 KPIWQHLWSXMNAG-ZVBGSRNCSA-N 487.123 3.925 50 10 JHGE CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)CCl 34832083 ANLGWVYCFRTOCU-QGZVFWFLSA-N 450.002 3.828 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Nc3cccc(Br)c3)c2[N+](=O)[O-])cc1 40658870 PSEVMAQNNNXNHA-UHFFFAOYSA-N 459.260 3.656 50 10 JHGE COC(=O)[C@@H](Br)COc1c(I)cc(Cl)c2cccnc12 159880394 QGFZFAYYECILGE-QMMMGPOBSA-N 470.488 3.808 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cncc(Br)c2)C1 169002400 YCIYAUBZZUKXBC-NSHDSACASA-N 490.055 3.598 50 10 JHGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NC1CC(C)(C)NC(C)(C)C1 217253999 CTMYCIFRFDVJIJ-OWBHPGMISA-N 466.367 3.844 50 10 JHGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 251370165 QPCOXIXXMGCAAB-VCOUNFBDSA-N 451.567 3.554 50 10 JHGE O=S(=O)(NCCCCI)c1c(Cl)cccc1Br 304349892 WYBDVIPXYZUJSD-UHFFFAOYSA-N 452.539 3.596 50 10 JHGE COC[C@](C)(CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 716858991 AZIMFSJKGITHOU-NSHDSACASA-N 470.010 3.834 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc(OC)c1O 1865715097 VZEGYWKOPRSMNY-QGZVFWFLSA-N 472.423 3.891 50 10 JHGE O=C(NOCCCNC(=O)[C@@H]1C[C@@H]1Br)OCC1c2ccccc2-c2ccccc21 1881353643 KURPECTTWBZZAJ-QUCCMNQESA-N 459.340 3.746 50 10 JHGE O=C(N[C@H](C[S@](=O)C[C@H]1C[C@@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1883576863 HHDGURMDMYIUHK-RMFLSSCPSA-N 492.391 3.510 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc(I)c(C[C@@H](O)CBr)c1 1952539570 WBQUKNHEUYTYJN-LLVKDONJSA-N 456.118 3.937 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1ccc(Br)s1 2023039658 RHCGJQOZZNFXQJ-SFYZADRCSA-N 452.177 3.639 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C(CBr)[C@H]2C1 2030274712 HKBGMTQAPBIDJN-GHMZBOCLSA-N 484.957 3.767 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2[C@H](CBr)[C@@H]2C1 2061575261 QMJGPWACVZGQHI-ILWJIGKKSA-N 484.957 3.767 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178090777 IGOOHWOAVGFZMH-SBMIAAHKSA-N 467.983 3.694 50 10 JHGE CC1(C)OCCN(C(=O)c2cc(Cl)ccc2I)[C@@H]1CBr 2282890461 NKYGGNVFOUMAGR-GFCCVEGCSA-N 472.548 3.959 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2OCC[C@@]2(CCl)C1 2296373673 YCOQGEUIUBBJSC-TZMCWYRMSA-N 470.532 3.524 50 10 JHGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=CC1=S=CC=C1)NC(=O)c1ccccc1 2297322630 RLDHZZYAHRNGAF-UHFFFAOYSA-N 486.509 3.896 50 10 JHGE CC[C@H](NC(=O)OC(C)(C)C)[C@@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306145170 BYWNIVHQPQZADR-VBKZILBWSA-N 481.681 3.629 50 10 JHGE N#CC(=Cc1cc(Br)c(N2CCCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 2313564841 AZHZCENFVFIOHR-XLIONFOSSA-N 451.328 3.850 50 10 JHGE CCOC(=O)c1ccc(NC=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314579605 YAQTWBCEXZKDNO-UHFFFAOYSA-N 489.528 3.628 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC 2314736007 OAUIURIHQSNJHM-UHFFFAOYSA-N 478.530 3.835 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC2(CC[C@@H](CCl)O2)C1 2361866235 DNLZAKGQXRMFTK-JTQLQIEISA-N 470.532 3.666 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2364213614 HYEOYWKQQOXEBL-FUHIMQAGSA-N 497.455 3.811 50 10 JHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1C 10151570 BPYDNDYVHBPABJ-ZDUSSCGKSA-N 455.736 3.713 50 10 JHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1Br 12501468 GQXKVTFOCKMDBL-UHFFFAOYSA-N 477.167 3.714 50 10 JHGE COc1cc(/C(C)=N\NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc(OC)c1OC 33703476 ZMMAVSQMLJFTLH-PKAZHMFMSA-N 486.532 3.568 50 10 JHGE Nc1c(NNC(=O)COc2ccccc2)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1 40795304 ZDWXBQGUTSSILC-UHFFFAOYSA-N 452.824 3.997 50 10 JHGE CCOc1c(I)cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc1OC 58887401 PTATUBPBWFJHPE-KOWBDXASSA-N 482.318 3.662 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OC(C(F)(F)F)C(F)(F)F)C1 226033785 GBQSCAKNUAQPOL-RNFRBKRXSA-N 463.156 3.919 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccc(C#N)cc2)S(=O)(=O)c2ccccc2)cc1Cl 254756758 FTEORCZWZXSWNM-UHFFFAOYSA-N 466.950 3.866 50 10 JHGE COc1cc(C)c([C@H](Br)c2cnn(C)c2I)cc1OC 381954572 XIYFJDJZTKFYOZ-ZDUSSCGKSA-N 451.102 3.835 50 10 JHGE COc1ccccc1Nc1nc2sc(C(=O)NNC(=O)CNc3ccccc3)cc2s1 729513764 ONTUHSIXBVKBTJ-UHFFFAOYSA-N 453.549 3.983 50 10 JHGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c(OC)c1 1084416696 ZLNCJUNWRMGJCR-UHFFFAOYSA-N 499.365 3.963 50 10 JHGE O=C(NCc1cccc(C(=O)OCc2ccccc2)c1)NNC(=O)c1ccc(Br)cc1 1338411566 JLFMAUJJCOKCGA-UHFFFAOYSA-N 482.334 3.950 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC)c(O)c2)cc1 1865682441 OJBKAYSEMYEYKJ-QGZVFWFLSA-N 458.396 3.832 50 10 JHGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)CCC(CCl)CCl)C1 1959551051 GMSXCZSUUZWZLY-UHFFFAOYSA-N 465.443 3.922 50 10 JHGE CC(C)(C)OC(=O)NCC1(NC(=O)[C@H]2C[C@H](Br)C2)CCN(Cc2ccccc2)CC1 1991430125 RBTKYHSURKMDQK-WGSAOQKQSA-N 480.447 3.836 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)c1ccsc1 2055481986 SGFHKHOLCSIVNS-KRWDZBQOSA-N 485.425 3.570 50 10 JHGE C[C@@H](Br)[C@@H]1CCN1S(=O)(=O)c1cc(Br)ccc1Br 2061821413 NLRBGBGDMBNIPC-XCBNKYQSSA-N 462.001 3.758 50 10 JHGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)c2ccc(CCCl)cc2)C1 2106780778 BMUGKSSTFXMLIQ-UHFFFAOYSA-N 495.041 3.641 50 10 JHGE C[C@@H](Br)CN1CCN(C(=O)c2cc(Br)c(Br)s2)CC1 2113853496 GMMLPOBZALFYJF-MRVPVSSYSA-N 475.044 3.814 50 10 JHGE CCCN1CCC[C@@H]([C@@H](Br)c2cccc(I)c2)S1(=O)=O 2145775125 IPPGRSIQTZFXDU-KBPBESRZSA-N 472.186 3.931 50 10 JHGE O=S(=O)(c1ccc(OCCCBr)cc1)N(Cc1ccccc1)[C@@H]1CCOC1 2179829982 GXRUUPSKWCIWBD-GOSISDBHSA-N 454.386 3.830 50 10 JHGE C[C@@]1(CO[C@@](C)(CI)c2ccccc2Br)COCCO1 2237881965 JMHARAQRPOOZHF-GJZGRUSLSA-N 455.130 3.921 50 10 JHGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2cncc(CBr)c2)C1 2283298571 JCAQEVQEDZRLDO-IRXDYDNUSA-N 452.418 3.508 50 10 JHGE CN1CC(C)(C)[C@H]1COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2298953088 OOHJBBAKNBDUIC-CQSZACIVSA-N 452.377 3.548 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313568658 XQBQQKHPVVIISW-UHFFFAOYSA-N 487.341 3.946 50 10 JHGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(Cl)cc1Cl 2324494614 LLDFGMPUCGSJFY-UHFFFAOYSA-N 459.333 3.886 50 10 JHGE CC(C)(C)OC(=O)N1CCN(CCOCCI)[C@@H](c2ccccc2)C1 2326649564 XDZSQSMJBBAVAX-QGZVFWFLSA-N 460.356 3.732 50 10 JHGE Cc1ccnc(C(=O)NCC(F)(F)C(F)(F)CI)c1Br 2361669154 KKLBWJSPSDJWIV-UHFFFAOYSA-N 469.014 3.588 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OC(C)C)c2)c(Br)c1 10471883 BGBZWXRZTUOMGO-UHFFFAOYSA-N 494.411 3.513 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C2CCCCC2)cc1 12570877 DWIOLMOIONGLHL-UHFFFAOYSA-N 493.383 3.510 50 10 JHGE Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3cc(C)cc(C)c3)cc2)c1 13981229 ANRLUALDDAANAW-CMNXJCJSSA-N 486.572 3.978 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCC)cc1 14037155 UNDFEBYIBDSUAU-UHFFFAOYSA-N 456.568 3.553 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Sc3ccccn3)cc2)cc1 59146914 DWGGJNZUXIYEDB-SYXCRGJESA-N 455.561 3.789 50 10 JHGE Nn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cccc(Oc2ccccc2)c1 1084010319 NVCXWUOCTSTPTO-UHFFFAOYSA-N 472.574 3.812 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OC)c([N+](=O)[O-])c2)cc1 1084323641 SPMODNWXBGCEBQ-SFHVURJKSA-N 480.315 3.729 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084561334 QKMKHNXDHZXSME-UHFFFAOYSA-N 481.574 3.666 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(Br)cc1 1682357448 ZPGGGPFTNAWBPM-HNNXBMFYSA-N 453.243 3.761 50 10 JHGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747841 UUVCYXCFSBKGTP-OAHLLOKOSA-N 452.511 3.910 50 10 JHGE BrCc1cnnn1Cc1ccc(I)c(Br)c1 1904344814 ZBEYPOSEMGYGCJ-UHFFFAOYSA-N 456.907 3.588 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](I)C1 1994515723 MPOSPZOYIPOQCH-JTQLQIEISA-N 458.919 3.861 50 10 JHGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2144830286 HXVJXTGRLCJGDF-QZTJIDSGSA-N 469.832 3.940 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146692307 JHRODGQTDWLINJ-YNEHKIRRSA-N 467.983 3.979 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CC12CCC(Br)CC2 2157501680 FUMYEYWSEFVPRZ-KKWNJKKUSA-N 497.455 3.572 50 10 JHGE O=C(NCC12CC(CBr)(CO1)C2)c1cc(Br)cc(Br)c1 2159586000 APZSANSUGAVZSM-UHFFFAOYSA-N 467.983 3.886 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(NS(=O)(=O)c2ccc(CBr)cc2)C1 2162598552 BCXNZXPQCOJPBG-BEFAXECRSA-N 459.406 3.649 50 10 JHGE CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1C 2297356629 RIPUHNQFZAAHBK-UHFFFAOYSA-N 455.511 3.630 50 10 JHGE COc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1CN1CCSCC1 2297616623 QJJCPVDWMOQYCI-UHFFFAOYSA-N 451.548 3.561 50 10 JHGE CC(C)(C)OC(=O)N1CCCC[C@H]1CN(CCOCCI)C1CC1 2306801494 GVJQJLAAVWVBMM-INIZCTEOSA-N 452.377 3.692 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OC 2313518391 AHHNXHZXBRVFIQ-UHFFFAOYSA-N 479.230 3.762 50 10 JHGE N#CC(=Cc1ccc(Br)cc1)C(=O)N(CCCS(=O)(=O)O)C1CCCCC1 2324505062 YRZZYCUPGGXAKS-UHFFFAOYSA-N 455.374 3.795 50 10 JHGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2340664265 ZJERACKDBARUTC-KRWDZBQOSA-N 499.452 3.912 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1CC2(CC[C@H]2Cl)C1 2364212776 AKKVDPKXWVWCAH-COFLGROHSA-N 453.004 3.560 50 10 JHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 10154182 BBQFMEBFUSGIAW-GOSISDBHSA-N 457.596 3.975 50 10 JHGE CCOc1cc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccccc4)nc3c2)cc([N+](=O)[O-])c1O 169925822 VYYBLFMPOZOIPN-QFEZKATASA-N 459.462 3.930 50 10 JHGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1cc(I)ccc1O 236571467 QTKVVCYAPDFGKR-WDEREUQCSA-N 452.130 3.928 50 10 JHGE C[C@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)NN=Cc1ccncc1 254402960 OXLOBDIZLOQODT-SFHVURJKSA-N 457.563 3.905 50 10 JHGE CCOC[C@H](Br)CNC(=O)c1cc(I)ccc1Br 311177805 XADFLHSFQRWDDI-MRVPVSSYSA-N 490.961 3.584 50 10 JHGE COc1cccc(NCC(=O)NNC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1 728206345 JKMOFTVRBIUFEC-UHFFFAOYSA-N 489.301 3.657 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC#N 1084591872 DXYQPPQILWHCCP-QFIPXVFZSA-N 451.523 3.689 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)c1 1558199257 CNJLLDQCCQEONV-FQEVSTJZSA-N 450.564 3.520 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)N[C@H](CCc2ccccc2)C(F)(F)F)cc1 1670033106 VMAOOJNMUQKTOW-DNVCBOLYSA-N 451.445 3.551 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC1CCCCC1 1926745285 DFOAQLJVYKMNKV-QGZVFWFLSA-N 499.471 3.962 50 10 JHGE CC1(C)CC[C@@H](Cl)[C@@H](CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1927055251 ABKQUCMKKALUNW-CRAIPNDOSA-N 455.020 3.662 50 10 JHGE Cc1cccc(C(=O)N[C@H](CBr)c2cscn2)c1I 2119037161 CVTHSFVPCOKYOB-SNVBAGLBSA-N 451.127 3.922 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1CCCC[C@H]1Br 2123028987 HLNQMDZXIVONRK-CRAIPNDOSA-N 485.444 3.572 50 10 JHGE C[C@H](Cl)CN1CCCN(c2ncc(I)cc2Br)CC1 2133380278 ZWFOBVSXQMVOCK-JTQLQIEISA-N 458.569 3.588 50 10 JHGE COc1ccc(S(=O)(=O)N(C)[C@H]2CC[C@H]2OCc2ccccc2)cc1CBr 2179860084 MUPCHUKGZNHRMH-AZUAARDMSA-N 454.386 3.958 50 10 JHGE O=C(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1ccccc1I 2192579080 JDKPBLAGJTVMPK-JQWIXIFHSA-N 462.047 3.985 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCSC[C@@H]2CCBr)c1 2232164665 FLLPHWUBCXYEOK-NSHDSACASA-N 454.171 3.942 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@@H](C)c2nnc(CBr)s2)c1 2240901617 RMSLUMYFPIWVJL-QMMMGPOBSA-N 466.142 3.837 50 10 JHGE C=CC[C@]1(CBr)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2287759398 ZWIUODRYGUWVFO-JOCHJYFZSA-N 497.455 3.692 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CCC[C@@H](Cl)[C@H]1CC2 2364214582 OCFNXEMKQVBYDV-PWIZWCRZSA-N 453.004 3.797 50 10 JHGE O=C(COc1ccc(Cl)cc1)NNC(=O)COc1ccc2ccccc2c1Br 12576148 DATAQUNXOSDTHS-UHFFFAOYSA-N 463.715 3.861 50 10 JHGE O=C(COc1ccc2ccccc2c1)NNC(=O)COc1ccc(Br)cc1Cl 13977960 LYGYPVFKJUJVNF-UHFFFAOYSA-N 463.715 3.861 50 10 JHGE C#CCOc1ccc(Br)c(/C=N/NC(=O)[C@@H](C)Oc2cccc3cccnc23)c1 20311262 MCJNEEKDBOHEQD-PVLQNKMRSA-N 452.308 3.927 50 10 JHGE COc1ccc(/C=C\C(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(OC)c1 96536810 VMCGGCYBMHFSEW-BENRWUELSA-N 462.531 3.887 50 10 JHGE COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)COc3cccc4cccnc34)c2C)cc1 252603774 FTSGSPMYYVNHJT-UHFFFAOYSA-N 456.502 3.958 50 10 JHGE CCn1c(SCC(=O)NN=C/C(C)=C/c2ccco2)nnc1-c1ccc(OC)c(OC)c1 254871391 BRHXRCQSTWJQCI-UVBDUIKVSA-N 455.540 3.873 50 10 JHGE CCn1c(SCC(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(OC)cc1 263628482 JUKMWTVWMSQKNU-UHFFFAOYSA-N 454.512 3.514 50 10 JHGE BrCC1(Cn2cnc(I)c2I)CCC1 306389559 YQYVMPKTQCQKPD-UHFFFAOYSA-N 480.913 3.658 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(O)cc2O)C1 382711197 YSEXLIBAZUKFTC-WMLDXEAASA-N 453.276 3.885 50 10 JHGE Cn1ncc(CC(CBr)(CBr)c2ccccc2Br)n1 388699670 HBJWDDIZSFGIAW-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 729166600 VDEGEGLGAQYFJU-AWEZNQCLSA-N 487.940 3.694 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OC(C)=O 1084027306 UUKUGOAFXHAGEU-LDADJPATSA-N 484.350 3.639 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NS(=O)(=O)c3ccc(CBr)cc3)C[C@H]2C1 1260511080 KXMFOVLOZYMPLR-ZSHCYNCHSA-N 459.406 3.505 50 10 JHGE COC[C@@](C)(CBr)CNC(=O)c1cccc(Br)c1Br 1926993707 XBBNUZHOTPYSMV-ZDUSSCGKSA-N 457.988 3.989 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1cc(Br)ccc1I 2020202394 SSNIXMMDXITZST-XCBNKYQSSA-N 472.946 3.909 50 10 JHGE C[C@H](CCCCCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2054171563 UEOCDLYUXPZYAB-MRXNPFEDSA-N 473.433 3.716 50 10 JHGE CCOC(=O)Cc1ccc(CCl)c(I)c1I 2055330026 ZUYZJPFGNLIYAX-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE N#CC(=Cc1ccccc1)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 2077517578 XCKLBXMXRPAACR-QFIPXVFZSA-N 451.935 3.973 50 10 JHGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NCC2(CBr)CCOCC2)CC1 2106783725 CDVZWUAJWLFMKG-SANMLTNESA-N 453.443 3.675 50 10 JHGE O=S(=O)(Nc1c(Cl)cc(F)cc1Br)N1CCC(Br)CC1 2162202385 RPEYUDYNDAKGSM-UHFFFAOYSA-N 450.555 3.758 50 10 JHGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179829938 GLWIOSBZFWQOAO-ACRUOGEOSA-N 455.462 3.868 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CC[C@]2(C[C@H](Br)CO2)C1 2201752016 TWGHCJJURMNQTQ-XPTSAGLGSA-N 467.983 3.980 50 10 JHGE O=C(Nc1ccc(I)cc1)N1CCC(I)CC1 2214556019 LQGJOIYOTRJGSX-UHFFFAOYSA-N 456.065 3.723 50 10 JHGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)c1 2296846375 GYXUCZYLMIFVSB-UHFFFAOYSA-N 460.534 3.942 50 10 JHGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313566834 BLJWFYPAJANHDY-UHFFFAOYSA-N 480.362 3.725 50 10 JHGE CCN1CC[C@H]([C@@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2340027971 VBXGQAMYPJQOTK-NEPJUHHUSA-N 478.577 3.805 50 10 JHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 13977046 HBDGQWZHMUQPCL-UHFFFAOYSA-N 464.385 3.705 50 10 JHGE COc1ccc(C=NNC(=O)c2nn(C)cc2Br)cc1CSCc1ccco1 15994276 AJQPJKHHPAAJBU-UHFFFAOYSA-N 463.357 3.982 50 10 JHGE CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)CCl 27315243 BXNJBFCUDNXPPQ-NHCUHLMSSA-N 460.958 3.569 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-] 40658560 BEFHIEYDTYUFFB-UHFFFAOYSA-N 460.244 3.705 50 10 JHGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)c(OC)c1 59384927 NJDAMQWTVYYAPT-OYLLDLIQSA-N 479.389 3.954 50 10 JHGE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/NC(=O)c1ccccc1O 100844318 DNWYGBKTODNCTN-CWFLJIKZSA-N 458.337 3.958 50 10 JHGE CC(C)[C@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1)n1cnc2cc(F)c(F)cc21 109495113 FOFHQQAQQACJAQ-HXPMCKFVSA-N 495.324 3.889 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cncc(Br)c2)C1 169002309 YCIYAUBZZUKXBC-LLVKDONJSA-N 490.055 3.598 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCS[C@H](CBr)C1 720033843 IJTVARUZBTZLJA-ZCFIWIBFSA-N 455.646 3.665 50 10 JHGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNc1nc(-c2ccncc2)no1 726376832 GAVLBPMVAIFMBM-MRXNPFEDSA-N 463.325 3.726 50 10 JHGE CCOc1ccc(C=NNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 1084250895 JKGVARKJPUOTAA-UHFFFAOYSA-N 481.574 3.748 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)OC)c(OCC)c2)cc1 1084308519 BNCPTESVXOUEAG-HXUWFJFHSA-N 492.956 3.653 50 10 JHGE C=CCNS(=O)(=O)c1cc(C(=O)NNc2ccc(OCc3ccccc3)cc2)ccc1F 1630050363 COIHWFRUSJJSCK-UHFFFAOYSA-N 455.511 3.626 50 10 JHGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1cccc(C(F)(F)F)c1 1860771358 SIHOZPANUCVAOY-UHFFFAOYSA-N 472.448 3.605 50 10 JHGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1Br 1984105652 UGNDDFIPNWCTMQ-GFCCVEGCSA-N 465.211 3.547 50 10 JHGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1cccc(Br)c1Br 2101335090 QZZVYJMDNGXWTE-RKDXNWHRSA-N 455.972 3.741 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCO[C@H](CCBr)C1 2116236105 JTDMXOSZBPXSOA-SECBINFHSA-N 455.972 3.838 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C12CCC2 2177301459 TWWFXVMKSIZBJP-INIZCTEOSA-N 459.406 3.792 50 10 JHGE CCC[C@H]1CN(C(=O)c2cc(I)ccc2O)C[C@@H]1CBr 2205700948 CUJKYVBFEMAFRG-QWRGUYRKSA-N 452.130 3.880 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ncsc2Br)C1 2226134024 NSIRJFVCDGSPPX-MRVPVSSYSA-N 496.084 3.659 50 10 JHGE CC(C)(C)OC(=O)NCCC[C@@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306146285 MHAILYWHGRAGJZ-HXUWFJFHSA-N 481.681 3.630 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 2324392492 KAUMMYWOVVCALH-UHFFFAOYSA-N 479.389 3.654 50 10 JHGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)N1CC(OCc2ccccc2)C1 2340663018 TUFUXLQJSNXXQB-QGZVFWFLSA-N 459.431 3.652 50 10 JHGE Cc1sc(C(=O)NN)cc1COc1cc(Br)cc(I)c1 2364061640 QLNMAJVIIVZEDZ-UHFFFAOYSA-N 467.126 3.606 50 10 JHGE C[C@@]12CC[C@@](CBr)(C1)N(S(=O)(=O)CCCCCCN1C(=O)c3ccccc3C1=O)C2 2364190791 QNCTVDMDUKFHIW-YADHBBJMSA-N 497.455 3.812 50 10 JHGE CC1(C)C[C@H](CCl)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364216016 XZQDJWHASJBQSM-QGZVFWFLSA-N 455.020 3.760 50 10 JHGE O=C(NNC(=O)c1ccccc1Br)c1ccc(SC[C@H]2CCCO2)c([N+](=O)[O-])c1 3021028 QPMJRHKZEATWSY-CYBMUJFWSA-N 480.340 3.703 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 12130255 GLFRQPKIBJEYPJ-KOXKPCSVSA-N 456.365 3.930 50 10 JHGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccccc1Br 13986568 WPGCJMWHUFGZQE-UHFFFAOYSA-N 462.525 3.705 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 14832207 IHSAGUNPJUMXSR-LBPRGKRZSA-N 450.289 3.711 50 10 JHGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)[C@@H](O)c1ccccc1 59155032 IDOXFZRCDHTHIO-JDFKBJJRSA-N 482.309 3.689 50 10 JHGE N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 102934603 BMAGGBLPPBPHHP-GXDHUFHOSA-N 459.443 3.900 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@H](C)Br)cc1Br 158638025 HJAVMPSZNBYOMG-QMMMGPOBSA-N 464.017 3.924 50 10 JHGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OC 206502575 FSHWLWDFUMWMMG-DHLWLJRDSA-N 494.544 3.781 50 10 JHGE CC1(C)C[C@@H](Br)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 704001591 CGKYKFZEMIBFPC-HNNXBMFYSA-N 485.444 3.524 50 10 JHGE C=CCn1c(SCC(=O)NN=C(C)c2ccc(Br)cc2)nnc1-c1cccnc1 1084358298 RQPRYARHBFYPPU-UHFFFAOYSA-N 471.384 3.921 50 10 JHGE CC(=O)c1cccc(OCC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)c1 1629181050 CTRXDSGDHNADHA-UHFFFAOYSA-N 456.502 3.727 50 10 JHGE CCOC(=O)c1c(I)cnc(OC(F)(F)F)c1CBr 1848387572 FMSDJMSEFNXAOT-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711712 GKJWQQXOCRFVFS-JOCHJYFZSA-N 491.479 3.921 50 10 JHGE CCC[C@@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866906119 ZXMGDICSNSMHGF-JOCHJYFZSA-N 452.580 3.562 50 10 JHGE CN1CC[C@@H]([C@@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 1941948554 QAOTYXDHYSIEGD-YUMQZZPRSA-N 468.030 3.743 50 10 JHGE Cc1c(-n2c(C)nc(I)c2I)ccnc1CCl 2025317335 VWMXIKUGBWFBSV-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@]2(CBr)C1 2029658486 YXENVAGLQZJGGV-NOZJJQNGSA-N 484.957 3.911 50 10 JHGE CC(C)(CCl)c1cn(-c2cc(I)cc(I)c2)nn1 2046452524 OTWNVFGQXPDNJK-UHFFFAOYSA-N 487.510 3.993 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCCC[C@H](Br)C1 2107490569 VQLRQAMBXINBMV-IRXDYDNUSA-N 485.444 3.716 50 10 JHGE C[C@H](Cl)[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CCO1 2117535178 YABMLQUJQUNESG-UFBFGSQYSA-N 458.521 3.522 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H](CBr)C(F)(F)C1 2146374572 COWBNJBXYUDWDR-QMMMGPOBSA-N 453.168 3.860 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)C2(CCCC2)C1 2175218544 MUZLDYVPCCBJJC-INIZCTEOSA-N 497.455 3.526 50 10 JHGE O=S(=O)(N[C@H](CCl)c1cscn1)c1cc(Br)ccc1Br 2175671762 YATVNGQGNUEXQX-SECBINFHSA-N 460.600 3.927 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H](CCBr)O1 2179380537 HMHCHOKJFIEYSE-JGVFFNPUSA-N 467.632 3.727 50 10 JHGE CCn1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)CCC2)cc1CBr 2179786094 VPTHTLWKYHJRRJ-UHFFFAOYSA-N 454.434 3.690 50 10 JHGE O=S(=O)(c1cc(CBr)cc(F)c1F)N1CCCN(Cc2ccccc2)CC1 2179860196 ODYAMEOIHMACQN-UHFFFAOYSA-N 459.356 3.756 50 10 JHGE NNC(=O)[C@@H]1CC[C@@H](COc2c(Br)cc(Br)cc2Br)C1 2181780892 DNOCTGXQEHXQDC-HTQZYQBOSA-N 470.987 3.759 50 10 JHGE Cc1cccc(C(=O)N2CCOC(C)(C)[C@@H]2CBr)c1I 2282889346 GMLDDEFLTKNRCJ-LBPRGKRZSA-N 452.130 3.614 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1 2314795841 WGTIYLLJVPQGEL-UHFFFAOYSA-N 484.936 3.716 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@@H](N)Cc2ccccc2)cc1C 2328798711 XFIWOTXAXVAGPF-DEOSSOPVSA-N 453.546 3.876 50 10 JHGE COCCO[C@@H]1[C@@H](Cl)C[C@@H]1OCc1ccc(I)c(Br)c1 2377593601 GQPIBTXZQFMTRM-FPMFFAJLSA-N 475.548 3.982 50 10 JHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 10683853 AADNDERISGBXQP-UWJYYQICSA-N 456.539 3.761 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 13976388 XCIDDOJXIHMQHK-UHFFFAOYSA-N 484.405 3.771 50 10 JHGE O=C(NN(Cc1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 32255436 VTVBDDFTAXNHFY-UHFFFAOYSA-N 467.566 3.964 50 10 JHGE COc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1c(F)cccc1Cl 33716741 RNAZXTHHXUAGLE-DHDCSXOGSA-N 467.888 3.774 50 10 JHGE COc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)c(OC)c1 40754573 IOMFJJHECACIBW-UHFFFAOYSA-N 479.324 3.649 50 10 JHGE COC(=O)c1cc(Br)cc(Br)c1NS(=O)(=O)C[C@@H](C)CCl 127035330 CCTMUVFCGZFFTC-ZETCQYMHSA-N 463.575 3.615 50 10 JHGE CCOc1cc(C(=O)NNc2ccc(F)c(F)c2F)ccc1OCC(=O)N1CCCCC1 727759554 DKFNHIUJTAAUIL-UHFFFAOYSA-N 451.445 3.651 50 10 JHGE COc1ccc(Br)c(C(=O)NNC(=O)c2cccc(OCc3cscn3)c2)c1 728529777 OCPHFELBYVUVKQ-UHFFFAOYSA-N 462.325 3.568 50 10 JHGE Cc1cc(N2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)nc(C(C)C)n1 914465460 GFMTVPOHOSZJFK-HAVVHWLPSA-N 494.603 3.941 50 10 JHGE CC(=NNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1 1084252939 ZUPUFUUVFABBDJ-UHFFFAOYSA-N 498.992 3.899 50 10 JHGE COc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C 1084413588 YPQFYMGJIZARDJ-UHFFFAOYSA-N 469.339 3.954 50 10 JHGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3ccccc3C(F)(F)F)CC2)c1 1084578563 PPEDGNRHDSKUJB-UHFFFAOYSA-N 463.456 3.725 50 10 JHGE O=C(CSCc1ccc(Br)cc1)NNC(=O)c1ccc(Br)cc1 1115812730 KKTXUUWTDKXJJO-UHFFFAOYSA-N 458.175 3.906 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc([N+](=O)[O-])c1O 1772756564 WOXVNFGEROKQFJ-UHFFFAOYSA-N 480.315 3.898 50 10 JHGE CN(C)CC(C)(C)CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2021407704 PEIKIIVHUMAQPZ-SFHVURJKSA-N 454.393 3.796 50 10 JHGE Cc1cncc(N)c1-n1nc(CBr)c(I)c1C(F)(F)F 2078923542 DFOUZJKWVMBMFF-UHFFFAOYSA-N 461.023 3.676 50 10 JHGE CCCCCC[C@@H]1[C@H]([C@@H](O)C(=O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(OC)OC3=O 2080449660 PEDOLCOCDBKJNH-ZYEIHGRSSA-N 488.577 3.555 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2121592864 NVQFEJOKBMHTKF-FJXKBIBVSA-N 474.012 3.755 50 10 JHGE C[C@H]1CCN(S(=O)(=O)c2ccc(CCBr)s2)CCN1Cc1ccccc1 2123241536 KQDCWMLHSPBLBO-INIZCTEOSA-N 457.459 3.971 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1ccsc1CBr)C2 2123284904 SZBWALOUIOJQBB-LPHOPBHVSA-N 455.443 3.786 50 10 JHGE C[C@@H](Br)COCc1cn(-c2ccc(Cl)cc2I)nn1 2278381890 DBMUWJZDEWOSSN-MRVPVSSYSA-N 456.509 3.825 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)N2CCC(Br)CC2)[C@H](C(F)(F)F)C1 2280941360 BZGVNJPUMUZRDT-OLZOCXBDSA-N 458.319 3.886 50 10 JHGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2F)C(=O)N1c1ccc(OCC)cc1 2314592764 BGJGXFGJKKSIBI-NRFANRHFSA-N 451.523 3.953 50 10 JHGE C[C@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364195480 QNFHLHCWMQQDAU-ACZWYYKOSA-N 453.004 3.653 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 2374304612 PEELVKRUDGVAKF-AHIWAGSCSA-N 455.340 3.581 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 2378165659 ATWPKDMTCLSEAC-AHIWAGSCSA-N 455.340 3.581 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 12501512 YZPVWUCUSBCCIQ-UHFFFAOYSA-N 491.194 3.779 50 10 JHGE Cc1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Br 13994159 IMJDQERFCOQRCK-GFCCVEGCSA-N 486.160 3.514 50 10 JHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14027342 QQHGUPSGIBRHBU-UHFFFAOYSA-N 469.321 3.556 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)Cn1ccc2ccccc21 14776291 FBKPOXJUNTXRBJ-GFCCVEGCSA-N 450.720 3.672 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2OC)c(Br)c1 14832287 XMFRLGIWBOAZRR-AWEZNQCLSA-N 465.344 3.576 50 10 JHGE O=C(NNc1ncnc(NCCc2cccs2)c1[N+](=O)[O-])c1ccccc1Br 40658409 AERVXVHHRAJXDO-UHFFFAOYSA-N 463.317 3.620 50 10 JHGE CC(CBr)(CBr)NS(=O)(=O)c1ccc(Cl)c(Br)c1 232763504 RDRRZNFXINUFPP-UHFFFAOYSA-N 484.435 3.929 50 10 JHGE CC(=NNC(=O)CSc1nnc(SCC(=O)NN=C(C)c2ccccc2)s1)c1ccccc1 254291140 NLLDKOYTVHXSON-UHFFFAOYSA-N 498.659 3.803 50 10 JHGE CCCCCn1c(=O)c(C(=O)NN=Cc2cc(OC)cc(OC)c2OC)c(O)c2ccccc21 254393257 BEXRUUMXHRSVOZ-UHFFFAOYSA-N 467.522 3.687 50 10 JHGE CO[C@@]1(CBr)CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 403045862 VTALSGPQGKTGHC-LLVKDONJSA-N 467.632 3.729 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c(C)n1-c1ccc(F)cc1 728210952 BIFHJYHWTPMHDD-RGEXLXHISA-N 493.564 3.724 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CS(=O)(=O)Cc1cccc(Br)c1 747121333 QIPCDDFSXULLLF-UHFFFAOYSA-N 454.298 3.606 50 10 JHGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccs1 1084249318 OZTBXVVADAQHAG-UHFFFAOYSA-N 478.393 3.856 50 10 JHGE CC1=C(C(=O)NN=Cc2ccc3c(c2)OCO3)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084565360 VGJNTPABGXGTTN-GOSISDBHSA-N 463.346 3.665 50 10 JHGE COc1ccc(C=NNC(=O)NN=Cc2ccc(OC)cc2Br)c(Br)c1 1088693615 NPRRAZOOOJUNOQ-UHFFFAOYSA-N 484.148 3.896 50 10 JHGE C[C@@H](C(=O)Nc1cccc(C(=O)Nc2ccc(SC#N)cc2)n1)N1C(=O)c2ccccc2C1=O 1860560402 DGWFRJMRDRSCRE-AWEZNQCLSA-N 471.498 3.530 50 10 JHGE CCN(CC)Cc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860773426 ZFKSUMOYFZJOLP-BMAFUFKNSA-N 465.623 3.575 50 10 JHGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)c1ccccc1I 1865758380 XMXDHZZLEXVSHJ-UHFFFAOYSA-N 475.261 3.876 50 10 JHGE CCc1ccc(CCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1865852437 WISQGUSXKRBPBO-UHFFFAOYSA-N 474.586 3.776 50 10 JHGE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)c(C(=O)Nc3ccc(SC#N)cc3)c[nH]c12 1866448258 OXSAULGGLONNQS-UHFFFAOYSA-N 494.573 3.988 50 10 JHGE CC(C)(CI)CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 1904652739 FEKHBARGTQSESK-GHMZBOCLSA-N 450.283 3.835 50 10 JHGE O=S(=O)(N[C@H](CBr)C[C@H]1CCCO1)c1cc(Cl)c(Br)s1 1926748597 JWBSLZIIANAEIC-JGVFFNPUSA-N 467.632 3.775 50 10 JHGE C[C@@H](CBr)[C@@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089707339 MULOOSXFGHTXAL-LPHOPBHVSA-N 485.444 3.668 50 10 JHGE Brc1ccc(CN2CCN3C[C@H](Br)C[C@@H]3C2)c(Br)c1 2092268735 ZWTHKGVOZKAUMB-CHWSQXEVSA-N 453.016 3.865 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1cccc(Br)c1Br 2092339428 DNZGGZSWKVEKHZ-BDAKNGLRSA-N 455.972 3.836 50 10 JHGE Brc1cccc([C@H](CI)OCCCN2CCOCC2)c1 2175870582 RCYXOBPVABAHAJ-HNNXBMFYSA-N 454.146 3.664 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2179867006 PKHRZFUUZSZPIC-HXUWFJFHSA-N 452.418 3.586 50 10 JHGE O=C(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1cccc(I)c1 2192578864 IRTBHKDGPFRMMA-PWSUYJOCSA-N 462.047 3.985 50 10 JHGE Cc1cccc(C(=O)N[C@H](CBr)C[C@@H]2CCOC2)c1I 2195479608 RJOMAUWRUPDHTK-RYUDHWBXSA-N 452.130 3.520 50 10 JHGE O=C(Nc1ccc(I)cc1)N1C[C@H](Br)[C@H](Br)C1 2214554974 AKTQINRERGGQAL-AOOOYVTPSA-N 473.934 3.666 50 10 JHGE Clc1ccc(I)c(CN2C[C@H]3CCO[C@@]3(CBr)C2)c1 2231265407 IYWDLDBLGJEMSQ-RISCZKNCSA-N 456.549 3.930 50 10 JHGE ClCCc1nc2cncnc2n1-c1ccc(Br)cc1I 2240290138 ZWYIHFVKCBJMJW-UHFFFAOYSA-N 463.504 3.964 50 10 JHGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 2296836392 GLFRQPKIBJEYPJ-SFHVURJKSA-N 456.365 3.930 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)c2ccc(Cl)cc2I)C1 2340059926 YJWDADKDCFYOEF-CYBMUJFWSA-N 458.521 3.571 50 10 JHGE Clc1ccc(I)cc1CC[C@@H](Br)CN1CCOCC1 2352428730 YIQVUUGBQPAEBS-GFCCVEGCSA-N 458.565 3.973 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355687489 GNZOPJAUNLNQIH-HLUHBDAQSA-N 467.983 3.694 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 10283841 SHCOZZKTXPVYBI-UHFFFAOYSA-N 470.595 3.799 50 10 JHGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 10450749 WDOPNCLISSRSHJ-NTEUORMPSA-N 470.551 3.903 50 10 JHGE O=S(=O)(NC[C@]1(CBr)CCCOC1)c1cc(Cl)c(Br)s1 700915882 KDFQIBYWLUCIRI-LLVKDONJSA-N 467.632 3.634 50 10 JHGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cc1ccccc1F 731366353 MABIPBUBVLWIGT-GOSISDBHSA-N 454.329 3.667 50 10 JHGE C[C@H](NC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1 761410321 LBEVVFWAMSCHQQ-SXZORUHJSA-N 471.492 3.930 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccc(CN3CCCC3=O)cc2)c(-c2ccccc2)n1 918673078 GYVNFSGZMIGSNE-LFVJCYFKSA-N 478.556 3.810 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(C(=O)O)[nH]c2ccc(Cl)cc12 1873793223 DGPAKPWJGVOGHQ-NBEJTEOBSA-N 450.923 3.909 50 10 JHGE CCN(CC)CCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2007036109 KCHQVPQFLUJBMT-GOSISDBHSA-N 454.393 3.940 50 10 JHGE O=S(=O)(C[C@H](Br)c1ccccc1I)N1CCCCC1 2089394585 YAISMPPYDFDAGZ-LBPRGKRZSA-N 458.159 3.543 50 10 JHGE CC[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1ccc(CBr)cc1 2163055108 DCHGCFPTLMCRLC-INIZCTEOSA-N 461.422 3.992 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[C@@H]1Br 2221680080 NRQKOAUCXMAJOA-QEJZJMRPSA-N 476.209 3.785 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1cc(Br)ccc1OC 2235934630 DAZVDRSYGTWNHM-KOLCDFICSA-N 476.174 3.586 50 10 JHGE CCc1ccc2c(c1)C(=NNC(=O)C(=Cc1cc(OC)ccc1OC)NC(=O)c1ccccc1)C(=O)N2 2297325597 GHWKAWGJHCOAQB-UHFFFAOYSA-N 498.539 3.510 50 10 JHGE N#CC(=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C(=O)NCc1ccco1 2314753180 GYTGFUVFHLNMTD-UHFFFAOYSA-N 462.374 3.539 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@@](C)(CBr)C1 2338673138 JREZNAAWMNUXRR-LBPRGKRZSA-N 457.992 3.582 50 10 JHGE NNC(=O)c1cccc(CSc2cc(I)ccc2Br)c1 2363642669 CFRBRCBYQCTMHE-UHFFFAOYSA-N 463.138 3.950 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14007535 LAFPVZDPBPOAHF-SNVBAGLBSA-N 462.127 3.750 50 10 JHGE O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1 59501658 VMFVSFDBKDZPDL-VULFUBBASA-N 473.558 3.964 50 10 JHGE CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)NC[C@H]1CCC[C@H](CN=C=O)C1)CC2 170288638 CKQXRHDJBOLPHX-ROUUACIJSA-N 499.999 3.912 50 10 JHGE O=C(Cl)c1cnc(OC(F)(F)F)c(I)c1I 396149674 GHBJMLJAPCCJCH-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE Cn1cc(CC(CBr)(CBr)C2CCOCC2)c(Br)n1 714089559 POFJRFSMYGBRGC-UHFFFAOYSA-N 459.020 3.928 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2nnc(-c3ccccn3)s2)c(-c2ccccc2)n1 918683891 IFGNZHOXXNAUKI-LGMDPLHJSA-N 452.503 3.923 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)c1ccc(OC)c(Br)c1)c1ccc(Cl)cc1F 1230504558 KOMYVSMSRFRVPR-HNNXBMFYSA-N 454.683 3.569 50 10 JHGE C=C[C@@H](CC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 1587357257 OQFZXSCMFOVCLX-INIZCTEOSA-N 455.561 3.670 50 10 JHGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)c1sc(-c2cnccn2)nc1C 1865759603 ITRLLVQJDSTOJE-UHFFFAOYSA-N 466.473 3.632 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1877421260 MIVXKPHCUTZARI-OKZBNKHCSA-N 455.393 3.728 50 10 JHGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1914650349 CCIYMCSNDJVZRS-QGZVFWFLSA-N 493.423 3.678 50 10 JHGE Cc1nn(C)c(Br)c1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 2013204891 ONVWOXIBZDFHBA-CQSZACIVSA-N 459.182 3.543 50 10 JHGE C[C@@](CBr)(NC(=O)c1cc(I)ccc1F)C(F)(F)F 2113356743 YCUFDODEOQEQDZ-JTQLQIEISA-N 453.999 3.876 50 10 JHGE CCCN1CC[C@@H]([C@H](Br)c2cc(I)ccc2F)S1(=O)=O 2169658280 FMOCJPIMKYDFLS-QWHCGFSZSA-N 476.149 3.680 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](NS(=O)(=O)c3ccc(CBr)cc3)(C2)C1 2173284734 OPAAWFKATMUMEF-HNAYVOBHSA-N 459.406 3.649 50 10 JHGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1CBr 2179787739 SZHCXKHNGZCWNL-UHFFFAOYSA-N 452.349 3.786 50 10 JHGE COc1ccc(S(=O)(=O)N2CC[C@@H](OCc3ccccc3)C2)c(CCBr)c1 2179825357 GHVKSSPIMCYOQM-LJQANCHMSA-N 454.386 3.612 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1Br)N1CC(SC(F)F)C1 2196691910 ZCDYTIZYZLKEBW-UHFFFAOYSA-N 451.152 3.673 50 10 JHGE Cc1ccc(C(=O)NCC2(CBr)CCOCC2)cc1I 2232833728 OVOQVIORSIMIEC-UHFFFAOYSA-N 452.130 3.521 50 10 JHGE Cc1cc(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2269549342 SWHGLXTZBKPSOK-SANMLTNESA-N 486.377 3.567 50 10 JHGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1cc(Cl)ccc1I 2279403452 AKUCROVCWDTQKH-MWLCHTKSSA-N 472.548 3.865 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2314792570 XLLJEBXJASPOQJ-UHFFFAOYSA-N 461.301 3.987 50 10 JHGE COc1cc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CCC3)cc(OC)c1OC 2500586 KLPPSBGYJSUTDB-QFIPXVFZSA-N 456.502 3.777 50 10 JHGE O=C(NNC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccc(NC(=O)C2CC2)cc1 14040920 KKLCLECHHDKDQO-UHFFFAOYSA-N 459.502 3.568 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1OC 14667014 DXMCSCVJUVZQQV-UHFFFAOYSA-N 451.317 3.576 50 10 JHGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 33729256 MSBWQPGDXBIXSQ-BJLUOBIUSA-N 489.601 3.613 50 10 JHGE Cn1cc(Br)cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 107787011 UDSCEAYIIQUERX-UHFFFAOYSA-N 459.256 3.563 50 10 JHGE Cc1cccc(C(=O)N2CCC(OCCBr)CC2)c1I 235905235 HIUJFYBQKLPQNK-UHFFFAOYSA-N 452.130 3.616 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)c(C)n1-c1ccc(F)cc1 726762824 DVEWQHVKRKLLKB-STZFKDTASA-N 489.555 3.773 50 10 JHGE COc1ccc(F)cc1CN1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 914464197 DRAQGQZUSMKSEN-CJLVFECKSA-N 498.562 3.863 50 10 JHGE O=C(NN=Cc1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1084125661 MUTKMHMCDQWKKJ-UHFFFAOYSA-N 492.635 3.939 50 10 JHGE C/C(=C/C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 1265353105 KLQMSNXVVIAZCW-OWBHPGMISA-N 455.477 3.903 50 10 JHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747623 NGKOGEIHGMZTJK-UHFFFAOYSA-N 477.477 3.732 50 10 JHGE C[C@H](Br)[C@H](NC(=O)c1ccc(F)cc1I)C(F)(F)F 1882650438 CBXNYZLYXBJFQV-CDUCUWFYSA-N 453.999 3.874 50 10 JHGE COC(=O)Cc1cc(CBr)c(I)cc1OC(F)(F)F 2055376271 CZKZJTXFJBHTLO-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CCBr 2115851162 LUBLAMRVLKQDHX-DLBZAZTESA-N 485.444 3.526 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1c(C)csc1CBr 2123242933 CLRGFDGBUPEYEI-UHFFFAOYSA-N 462.431 3.805 50 10 JHGE ClC[C@H]1CN(c2ncc(I)cc2Br)CC2(CCC2)O1 2133376190 WLZLWUGZLZCIJN-JTQLQIEISA-N 457.537 3.815 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178090775 IGOOHWOAVGFZMH-PTRXPTGYSA-N 467.983 3.694 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H](CBr)CCC12CCC2 2205773825 UUMIPDPZJOKFAO-NSHDSACASA-N 450.114 3.919 50 10 JHGE O=C(NN=Cc1cccc([N+](=O)[O-])c1O)C(=Cc1cccs1)NC(=O)c1ccccc1Cl 2293968623 JSIAWNYPJPQUHW-UHFFFAOYSA-N 470.894 3.937 50 10 JHGE COCCNC(=O)Cn1cc(C=C(C#N)C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21 2297552092 ZWNQLHGUWPADMM-UHFFFAOYSA-N 450.926 3.911 50 10 JHGE COC1(CBr)CN(Cc2ccc(I)c(Br)c2)C1 2306224476 QLXXKEMMRLIEKY-UHFFFAOYSA-N 474.962 3.649 50 10 JHGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c1 2314620605 SKZCWIYYAQVWQQ-UHFFFAOYSA-N 496.523 3.703 50 10 JHGE CS(=O)(=O)Cc1ccc(C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 2326843790 LPPNEMDDARAMHC-UHFFFAOYSA-N 481.961 3.566 50 10 JHGE CC1(C)C[C@@H](Br)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338849885 MXNIEFBIKKBSHW-MRXNPFEDSA-N 485.444 3.668 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1Br 14770375 WKKXMWSEUSRANE-UHFFFAOYSA-N 462.344 3.645 50 10 JHGE CCc1ccc2c(c1)/C(=N\NC(=O)/C(=C\c1cc(OC)ccc1OC)NC(=O)c1ccccc1)C(=O)N2 34235392 GHWKAWGJHCOAQB-XQNSMLJCSA-N 498.539 3.510 50 10 JHGE CCCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Br)c2cc(C)ccc21 38180247 MHKOKHXRHBENHU-MEFGMAGPSA-N 485.382 3.545 50 10 JHGE CCN1C(=O)C(C#N)=C(C)/C(=C\Nc2c(Br)cc([N+](=O)[O-])cc2Br)C1=O 101235209 XYNFWNNWRYAJJJ-YRNVUSSQSA-N 484.104 3.644 50 10 JHGE CC[C@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 137054241 PUIJKAMHROHZJO-MRVPVSSYSA-N 464.017 3.972 50 10 JHGE CCc1nc(N)sc1C(=O)N/N=C\c1cc(OC)c(OCc2ccccc2)c([N+](=O)[O-])c1 169892241 NRADEBCLXGIJQW-KSEXSDGBSA-N 455.496 3.547 50 10 JHGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1 254287015 FQOCBQYUOFCWRQ-UHFFFAOYSA-N 481.464 3.969 50 10 JHGE CC(=C\c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1ccc(O)c(O)c1O 254354022 ZYUQZWGXYUGUHJ-ZSZVWCSXSA-N 457.486 3.671 50 10 JHGE Cc1ccc2c(c1)C(=NNC(=O)c1c(-c3ccccc3)nc3n(C)c4ccccc4n13)C(=O)N2C 254395073 HFYHKHLDNXVHGJ-UHFFFAOYSA-N 462.513 3.912 50 10 JHGE COc1cc(C(=O)NNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc(OC)c1OC 859247787 ALXMJJGXFGRHTO-YBFXNURJSA-N 492.507 3.627 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c(-c2ccc(Cl)cc2)n1 915858351 GVMVQMIWCOLDKZ-RGEXLXHISA-N 499.962 3.599 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1 916779384 BSODYZSSXDJVGG-SFQUDFHCSA-N 499.474 3.895 50 10 JHGE CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)cc2)cc1 934063258 DICLKDOGGPWCPL-REWPJTCUSA-N 473.620 3.540 50 10 JHGE C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C(/C#N)C(=O)NC2CC2)c2cc(Br)ccc21 1083911124 HSVLVYZMKQCPAM-CCAPLTMGSA-N 469.383 3.990 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084398426 HBMORCHEOLSIGR-VIZOYTHASA-N 460.284 3.940 50 10 JHGE COc1cc(/C=C\C(=O)NN)cc(I)c1OCc1ccccc1Cl 1084466031 HGPCEDLBCSENAI-SREVYHEPSA-N 458.683 3.535 50 10 JHGE CC(=O)c1cc(NC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)ccc1F 1310706179 DQFINZPKYRNPAN-UHFFFAOYSA-N 458.453 3.743 50 10 JHGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C 1440604161 HZGMFBJROUWBEJ-KRWDZBQOSA-N 453.967 3.681 50 10 JHGE CC(=O)[C@H]1CC(C(=O)NNC(=O)c2sc3cc(F)ccc3c2Cl)=NN1c1ccccc1 1638154054 VYAZMZJJINHYHE-MRXNPFEDSA-N 458.902 3.679 50 10 JHGE CCOc1cc(C=NNC(=O)CCNC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 1772719659 JNZUVPJGKGRRQJ-UHFFFAOYSA-N 459.502 3.575 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@H]1Br 1924807668 ZTFZGDATZQNJSQ-APWZRJJASA-N 497.455 3.716 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C#N)CC1 2010277657 XJEVZCNHKWHWEK-UUOWRZLLSA-N 461.562 3.817 50 10 JHGE CCOC(=O)c1ccc(CCl)c(I)c1I 2055327227 AHPPQROASZYQJN-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2scc(Br)c2Br)[C@H]1Br 2078742732 BCKCOOVHLHMVIX-HZGVNTEJSA-N 462.001 3.944 50 10 JHGE CCN1CC[C@H]([C@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2089530585 HOKDJFOPUGSOSY-VXGBXAGGSA-N 478.577 3.758 50 10 JHGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1cc(Br)cc(Br)c1 2101337338 MQUASRXSVQZEKP-PRHODGIISA-N 455.972 3.741 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2c(Br)cccc2Br)C1 2109022708 VKFOWBABTIJAAU-RKDXNWHRSA-N 455.972 3.836 50 10 JHGE O=S(=O)(c1cc(CBr)cs1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2123236319 GTCJLJRLRUJESD-ZWKOTPCHSA-N 455.443 3.786 50 10 JHGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)CCC(F)(F)CBr 2123363643 PQYOFSSPGPWMEM-QGZVFWFLSA-N 453.393 3.723 50 10 JHGE Cl[C@@H]1COC2(CCN(c3ncc(I)cc3Br)CC2)C1 2133373750 SNOKPLIKQSBSFK-VIFPVBQESA-N 457.537 3.815 50 10 JHGE BrC[C@@H]1C[C@H]2OCCN(c3ncc(Br)cc3Br)[C@@H]2C1 2135038520 GVDLADZDBJIWOV-XXILOJSOSA-N 454.988 3.985 50 10 JHGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(CBr)cc(F)c2F)C1 2179857999 HXXPSZIUAISPPE-INIZCTEOSA-N 459.356 3.755 50 10 JHGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1ccc(I)c(O)c1)C2 2199516479 NYTQUMOVQSYISD-CABCVRRESA-N 450.114 3.777 50 10 JHGE Cc1cc(C(=O)N2C[C@H](CBr)OCC2(C)C)ccc1I 2207109477 XMVKQIHUHMQPBU-LBPRGKRZSA-N 452.130 3.614 50 10 JHGE CSCC[C@H](Br)CCNS(=O)(=O)Cc1ccsc1Br 2226101950 KOZDRCNGLIJKNU-SNVBAGLBSA-N 451.271 3.837 50 10 JHGE CO[C@@H]1[C@H](OC)CN(Cc2cccc(Br)c2Br)[C@H]1CBr 2233354554 PGGZZLLZUUCRSD-SCRDCRAPSA-N 472.015 3.821 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)N[C@H]1C[C@H](Br)C1 2263362346 FKZQCVPPKNRETA-UMVBOHGHSA-N 476.209 3.927 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1Cc2ccccc2C[C@@H]1CBr 2296328414 ZPQXDLNAXNXQTE-QNGMFEMESA-N 450.398 3.886 50 10 JHGE CCOc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314620778 UYIHFLYDONIMCY-UHFFFAOYSA-N 492.503 3.959 50 10 JHGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(N3CCOCC3)o2)sc2c1CCCC2 2314646536 ASYYXQVYZWWWKK-UHFFFAOYSA-N 455.536 3.779 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC2(CC[C@H](CCl)O2)C1 2361878658 FUKHHZFNWWPXTJ-SNVBAGLBSA-N 470.532 3.666 50 10 JHGE CCOC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c(SC#N)c1C 9629837 ILGDALWLXYJPFQ-UHFFFAOYSA-N 452.579 3.917 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)c2ccc(C)c(Br)c2)ccc1Br 12487365 SRUGGBRNKVPWNQ-UHFFFAOYSA-N 456.134 3.668 50 10 JHGE COc1ccc(O)c(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)c1 20228835 IHJSFDJDAZRVRU-JFLMPSFJSA-N 488.573 3.836 50 10 JHGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 33919247 ZSYGZOBHKLQIMO-QRRJMBGHSA-N 458.518 3.614 50 10 JHGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1 38659734 JSRIQYMDYPNJCY-VWLOTQADSA-N 458.470 3.906 50 10 JHGE COCCOCCOCCO[C@H](CI)c1ccc(Br)cc1 162594482 BWLUWMYBPNZBKK-OAHLLOKOSA-N 473.145 3.621 50 10 JHGE N#C/C(=C/NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1Sc1ccccc1 217243581 DEORLFBIGZSUGZ-VLGSPTGOSA-N 464.572 3.621 50 10 JHGE CCCOc1ccc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1OCC 254772241 VJYSECFNFBXOHE-UHFFFAOYSA-N 499.589 3.808 50 10 JHGE C=CCOc1ccccc1C=NNC(=O)CCCCC(=O)NN=Cc1ccccc1OCC=C 254876550 RAJOBEUPMFQEIX-UHFFFAOYSA-N 462.550 3.977 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)cc1 256019589 CGCKINSGRBPMNP-KZNAEPCWSA-N 459.449 3.796 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCSC[C@H]1CCl 721576237 DKDYHUNHCGEEKD-SECBINFHSA-N 460.562 3.850 50 10 JHGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727295249 FETDQSYCVFXGSO-INIZCTEOSA-N 468.579 3.526 50 10 JHGE O=C(CCOc1ccccc1)NNC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 730773830 LKJULOZTVYAYQF-UHFFFAOYSA-N 488.253 3.823 50 10 JHGE C=CC(=O)Nc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)cc1 1146770052 CRVVLKCXSPOBBC-UHFFFAOYSA-N 453.502 3.884 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c1 1154050597 RBEAZDMZJZCYGU-UHFFFAOYSA-N 454.349 3.980 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)cc1 1675216441 BTOHCBYYOAATHP-RBZFPXEDSA-N 455.408 3.604 50 10 JHGE CC(C)SCc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)o1 1865852472 YDZOFHRKHCNMIP-UONOGXRCSA-N 488.635 3.840 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCC[C@@H](CI)O2)C[C@]12CCCOC2 1950593455 NPGPAZMIDQXIRH-WBAXXEDZSA-N 451.345 3.919 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)[C@H]2COC[C@@H]21 2040594150 WDHRFKIZGXMKDL-DTLFHODZSA-N 459.985 3.507 50 10 JHGE O=C(NCC[C@H]1COC[C@H]1Br)c1cc(Br)ccc1Br 2111281244 ZIFBNRHFGYVRMF-QPUJVOFHSA-N 455.972 3.741 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(CBr)cc2)C1 2162603506 XPALFSWAEQRXOS-GOEBONIOSA-N 461.422 3.943 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@]2(CBr)CCCC[C@H]12 2165244200 RULRJZPSVMXSJY-UGKGYDQZSA-N 497.455 3.812 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCI)[C@@]2(CCCOC2)C1 2214711512 LOPQCPOFJRGBSN-QAPCUYQASA-N 452.377 3.740 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2COC[C@]2(CBr)C1 2226181641 JNXOYETZXZTXQN-MADCSZMMSA-N 474.012 3.757 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCC(I)CC1 2248237281 OFWAKWOQFQIVDX-UHFFFAOYSA-N 475.495 3.984 50 10 JHGE C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H](CBr)O1 2295307662 MVEVDIXOFCRNER-NOZJJQNGSA-N 469.999 3.765 50 10 JHGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1C 2297335816 JMQQVYDSLNKPIQ-HNNXBMFYSA-N 480.590 3.898 50 10 JHGE Cc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1 2329629178 AUTUPYHZZWCBQA-UHFFFAOYSA-N 453.911 3.785 50 10 JHGE O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 12500750 WSDXYANOPIJACY-DHZHZOJOSA-N 452.363 3.888 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(OC2CCCCC2)c1[N+](=O)[O-] 40659574 WRCPKKFUDBAYFO-UHFFFAOYSA-N 456.286 3.925 50 10 JHGE Nc1c(NCCc2cccs2)ncnc1NNC(=O)COc1ccc(Cl)cc1Cl 40795634 QYFVDNCCVHHCBY-UHFFFAOYSA-N 453.355 3.604 50 10 JHGE COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)/C(C#N)=C(/C)N)cc1Cl 104366487 FOCGLRMFTHDQLB-ZCWJWGKDSA-N 456.911 3.744 50 10 JHGE CCc1cc(CCl)cc(-n2cnc(I)c2I)n1 304459207 XUXAAJTWRRMMFD-UHFFFAOYSA-N 473.483 3.778 50 10 JHGE CC[Si](CC)(CC)O[C@@H]1CO[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575232564 BFEHWXCZKFZQCB-CGXNFDGLSA-N 469.563 3.584 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2scc(Br)c2Br)C1 707817677 RSWAGGRLYKSBLL-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 727390932 AWTRFQSRIZTHGY-RHTHQAGFSA-N 480.565 3.926 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)OCN2C(=O)c3ccccc3C2=O)c(-c2ccc(Cl)cc2)n1 782091080 ACKVPZDDDWCPFB-SFQUDFHCSA-N 485.887 3.821 50 10 JHGE O=C(Cn1nnc2ccccc21)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1083941301 NVSJKCXWSCSUMD-UHFFFAOYSA-N 460.497 3.652 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)COc3ccc(C)c(Cl)c3)c3ccccc32)cc1 1084472736 BSEYHILVDUPZCH-UHFFFAOYSA-N 490.947 3.841 50 10 JHGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2 1648556819 XTTVAXYDCLTQJO-QGZVFWFLSA-N 458.950 3.506 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(C(F)(F)F)cc4)c(=O)c23)C1 1860771331 QTWOZVMAASQUIG-NWDGAFQWSA-N 478.496 3.624 50 10 JHGE CNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)sc2c1 1866129335 OJBXQVARZOVKEO-XYOKQWHBSA-N 477.365 3.513 50 10 JHGE Cc1nc(I)c(I)n1CC1(CBr)CCC1 1928097346 GJHYMBLJXBNGPN-UHFFFAOYSA-N 494.940 3.966 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@]2(CBr)C1 2029657758 SEUWWXXINPQVGR-SDBXPKJASA-N 484.957 3.911 50 10 JHGE COC(=O)c1cc(I)c(CBr)c(I)c1 2055330029 ZWQWOPLZFKDPBQ-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE CCN(C[C@](C)(CI)OC[C@H]1OCCOC1(C)C)C(=O)OC(C)(C)C 2066859955 JQUKOXACJQFPIS-KDOFPFPSSA-N 471.376 3.648 50 10 JHGE O=C(NC[C@]1(CBr)CCCO1)c1csc(Br)c1Br 2073629249 DNABVHVYKPWLIF-LLVKDONJSA-N 462.001 3.947 50 10 JHGE CN(Cc1c(Br)nnn1C)c1ccc(CBr)c(Br)c1 2100248884 RZXKMHBMXGIQLG-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE C[C@H](CBr)N1CCN(C(=O)c2cc(Br)ccc2Br)CC1 2169358902 UMUNRVXRAJOUJN-SNVBAGLBSA-N 469.015 3.753 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C2(CCCCC2)C1 2174379864 SKMGQWLZRXRMJU-SFHVURJKSA-N 453.004 3.512 50 10 JHGE Cc1cc(I)ccc1NC(=O)CN(C)CC1CC(Br)C1 2196930978 ADSUSRJOHMNROD-UHFFFAOYSA-N 451.146 3.643 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC[C@H](OCCCCl)C1 2207030792 BGFKBDLBEIRNIH-NSHDSACASA-N 472.548 3.914 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@@H]2COC[C@@]2(CBr)C1 2226187307 WKCODXVJDMUNPP-JMCQJSRRSA-N 474.012 3.757 50 10 JHGE O=C(NCCOCCCI)c1cc(Br)c(F)cc1Cl 2270355105 JZHGSIMPSIYJPU-UHFFFAOYSA-N 464.500 3.813 50 10 JHGE Cc1c(Br)cnc2c1nc(CCl)n2-c1cnn(C)c1I 2280055750 FHGOGKYEDQGEEZ-UHFFFAOYSA-N 466.508 3.568 50 10 JHGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCCCC2)c1 2296849711 CPPMHEFLEGYCOV-UHFFFAOYSA-N 489.601 3.709 50 10 JHGE Cc1nc(Br)c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)n1C 2300291753 ZQGXPHCLNOSCMY-CQSZACIVSA-N 459.182 3.543 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1OC 2313617099 DICUOUUPNPCBLK-UHFFFAOYSA-N 475.570 3.571 50 10 JHGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C(C)=C(C#N)C1=O 2314619018 YFRZBQYXGAASDA-UHFFFAOYSA-N 468.513 3.787 50 10 JHGE CC[C@@H](CCCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827230 OVFYEMLAOVKEBJ-INIZCTEOSA-N 473.433 3.716 50 10 JHGE Clc1ccc(CN2C[C@H]3OCC[C@@]3(CBr)C2)cc1I 2337221076 KHCMASZYVUVVQV-ZIAGYGMSSA-N 456.549 3.930 50 10 JHGE C[C@H](Br)CN1CCN(Cc2cc(I)ccc2Cl)CC1 2352426663 WSUBLBKIMIBLLT-NSHDSACASA-N 457.581 3.846 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2355761348 TXYBTHXWCYLQGY-ZWKOPEQDSA-N 450.114 3.775 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H](Br)c1ccccc1 2364229543 ZAXBNARYKCPQRV-VIFPVBQESA-N 465.971 3.811 50 10 JHGE CCOC(=O)c1ccc(NC(=S)NNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 13923870 AMPUTYYKPSEGPA-UHFFFAOYSA-N 475.567 3.691 50 10 JHGE C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14037957 ZANZTAVORXKMJO-LBPRGKRZSA-N 456.282 3.676 50 10 JHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\c2ccc([N+](=O)[O-])s2)cc1 27520873 PCTVIOXZQFIHOF-QELBSLCOSA-N 450.476 3.586 50 10 JHGE O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658488 GIYZUVWJVMKCTI-UHFFFAOYSA-N 463.435 3.749 50 10 JHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594779 GNUGGEHETTXLBA-OVVQPSECSA-N 494.935 3.795 50 10 JHGE CC1(C)C[C@H](NC(=O)Nc2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)C[C@](C)(CN=C=O)C1 170290072 BJMKCJHJJPWMKC-WNSKOXEYSA-N 460.579 3.745 50 10 JHGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)NC(c1ccccc1)c1ccccc1 216979626 PDTYFJBIGMYDDQ-QQTULTPQSA-N 480.568 3.846 50 10 JHGE CC(=NNC(=O)c1c(Br)cnn1C)c1ccc(NC(=O)c2cccc(F)c2)cc1 252623825 PABDQYCSSQGXGJ-UHFFFAOYSA-N 458.291 3.728 50 10 JHGE COc1cc(OC)c(OC)cc1C=NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1 252629109 TYSHOZSIVSXPKD-UHFFFAOYSA-N 463.937 3.867 50 10 JHGE CCOc1ccc(CCNN(CCNC=S)C(=O)c2ccc(F)c(F)c2F)cc1OCC 586406231 VISBEEXOZSPOHI-UHFFFAOYSA-N 469.529 3.638 50 10 JHGE O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)NCCc1c[nH]c2cc(F)ccc12 747985693 AAFSHKRNYRGRFZ-UHFFFAOYSA-N 476.508 3.838 50 10 JHGE O=S(=O)(NC[C@@H](Br)CBr)c1ccc(Cl)c(C(F)(F)F)c1 1188754178 FDELELIUHOKPBV-LURJTMIESA-N 459.509 3.796 50 10 JHGE CCOc1cc(C=NNC(=O)COc2cccc(Br)c2)cc(Br)c1O 1772754612 ZZKQCFFLWSKFTE-UHFFFAOYSA-N 472.133 3.845 50 10 JHGE Cc1csc2nc(Cl)c(/C=N\NC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CCCC5)n12 1860773929 KCYFXYDDMKOCOY-ILOOAYDISA-N 474.999 3.719 50 10 JHGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714376 IPKZJZSITCYSND-NRFANRHFSA-N 464.497 3.964 50 10 JHGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/NC(=O)CSc1nc2ccccc2s1 1873496552 XRBJGPJIJNDHNC-AUEPDCJTSA-N 484.559 3.824 50 10 JHGE O=C(NC[C@H](CBr)C(F)(F)F)c1cc(I)ccc1F 2113355606 KXBUMGBPCILWIR-LURJTMIESA-N 453.999 3.734 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2ccc(CCBr)s2)[C@H](C)CN1Cc1ccccc1 2123240788 APSQZGWUYUBQTH-HZPDHXFCSA-N 457.459 3.969 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@@H](C)N1C(=O)OCc1ccccc1 2163056438 RTRSUUCXDHSLQJ-HDICACEKSA-N 450.988 3.888 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2264843586 AIZPSXCCAKFHMV-KKZNHRDASA-N 455.159 3.916 50 10 JHGE Cc1cc(C=C(C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313563403 CVSPHFIKVXRQKZ-NOZRDPDXSA-N 494.511 3.698 50 10 JHGE CC(C)CN(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827598 SEDGUHKBETVKIR-UHFFFAOYSA-N 473.433 3.526 50 10 JHGE CC(C)CN(C[C@@H](C)Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338844958 LKKOYZPXKHNDPI-QGZVFWFLSA-N 487.460 3.914 50 10 JHGE O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1ccc(Br)cc1 3658274 QESKHVBDTNYXLJ-LHXREVONSA-N 481.302 3.958 50 10 JHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)ccc1C(C)C 9696126 MBUCMJVSTKNHBP-UHFFFAOYSA-N 494.411 3.604 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)cc(C)c2)cc1Br 14647753 FPEIWKAJWGOPAL-UHFFFAOYSA-N 494.411 3.569 50 10 JHGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1I 14665736 VGBLJLVSLRWYST-ZDUSSCGKSA-N 496.345 3.826 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 14834018 UHQHQJGAWVGAMY-LFYBBSHMSA-N 458.971 3.674 50 10 JHGE CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)Cn3c(S)nnc3-c3cccs3)cc2C1 21969389 ORFIMDDALONRDZ-CYBMUJFWSA-N 475.665 3.969 50 10 JHGE O=S(=O)(c1ccc(Br)cc1)N1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]21 222336545 WHFUCXONOBAOPD-NNYUYHANSA-N 474.012 3.511 50 10 JHGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=C(C)c2ccc3c(c2)OCO3)cc1 254499526 BEKOTBCIPGVJIF-UHFFFAOYSA-N 481.530 3.769 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2sccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084610525 RVZGTDACFARHSR-UHFFFAOYSA-N 487.603 3.728 50 10 JHGE C=CCNC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)cc1 1198692107 UHMSNUHRVSPMAS-UHFFFAOYSA-N 454.527 3.502 50 10 JHGE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1674362926 FWGRJZVMKBAVCB-KNQAVFIVSA-N 459.550 3.524 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC1CC(NC(=O)OCc2ccccc2)C1 1882324110 RYDAVXCMEAIROC-UHFFFAOYSA-N 455.646 3.940 50 10 JHGE Brc1cc(Br)cc(CO[C@@H]2COC[C@H]2I)c1 1900366253 CESGMQAHFKICHH-GHMZBOCLSA-N 461.919 3.931 50 10 JHGE CC(C)C1=CC(=O)[C@@](C)(Br)[C@H](Br)C1=NS(=O)(=O)c1ccccc1 2059867841 DVKJIDDNNDDYAO-HZPDHXFCSA-N 463.191 3.899 50 10 JHGE CCOc1c(I)cc(C(=O)CBr)cc1I 2060137330 UITVYHCWSLBBJP-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Br)C(F)(F)C1 2086145337 LKQJEHFSCCQIIB-SECBINFHSA-N 494.899 3.908 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)sc1Br 2122372257 ZFDFUJJNKXHXKT-HTQZYQBOSA-N 475.044 3.813 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2179866408 HPDHAISRDLXOFL-IEBWSBKVSA-N 453.402 3.850 50 10 JHGE C[C@@]1(CBr)COCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2199836456 BMWHQFBMRDBQRM-NSHDSACASA-N 467.632 3.586 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@@H](Br)CC12CCCC2 2241030912 NQDAQCFILLDIRT-NSHDSACASA-N 450.114 3.919 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1OC 2293838588 GWHBIFKUEDFHFK-UHFFFAOYSA-N 466.321 3.590 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1[C@@H]1CC[C@](C)(CI)O1 2307437646 VGQMPPXEIGFFEP-GRDNDAEWSA-N 451.345 3.775 50 10 JHGE CC(=CC#N)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)Nc3nccs3)cc2C1=O 2313811537 IVZIQCTYHQBTMO-UHFFFAOYSA-N 457.471 3.671 50 10 JHGE O=C(Oc1ccc(C=NNC(=O)c2cccn(Cc3ccccc3)c2=O)cc1)c1cccs1 2323641880 NDFVVMOWGVFSEG-UHFFFAOYSA-N 457.511 3.941 50 10 JHGE Cc1nc2scc(C)n2c1C=NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 2325903538 NHBHZSMZWJRVAK-UHFFFAOYSA-N 462.560 3.601 50 10 JHGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2364230228 JUVBYQRLXUBYAD-DTWKUNHWSA-N 472.019 3.971 50 10 JHGE CCOc1cc(C(=O)NNC(=S)Nc2cc(OC)ccc2OC)cc(OCC)c1OCC 13923872 HOYVZRGGHDGEJN-UHFFFAOYSA-N 463.556 3.531 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)CCC(=O)OCCc2ccccc2)cc1 14010920 IJIMNKLCJAGGKO-UHFFFAOYSA-N 473.529 3.574 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1OC 33869852 NVUVHHLMCAEFRX-PCAACMKTSA-N 488.500 3.923 50 10 JHGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4)c(C)c32)c1 101613032 VRVNCDMFSWRXKX-ZXVVBBHZSA-N 494.935 3.795 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1 217241133 YFDHITZLHQZCBM-UZYVYHOESA-N 490.560 3.536 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ccc(Br)o2)C1 380633392 BXSYTRFTYFYKPO-VIFPVBQESA-N 479.028 3.796 50 10 JHGE C[C@@H](Br)c1cnnn1CC(=O)Nc1ccc(Br)cc1Br 394252696 VJIPDCILRAMXQV-SSDOTTSWSA-N 466.959 3.898 50 10 JHGE Cn1cc(Cn2c(CCl)nc3cc(I)ccc32)c(Br)n1 720664738 BKSTYJCKCWKPKI-UHFFFAOYSA-N 465.520 3.924 50 10 JHGE Cn1cc(C(=O)NNC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c2ccccc21 726270957 KEOKQUKWJOJQGQ-QHCPKHFHSA-N 452.518 3.799 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)N2CCC(N3CCNC3=O)CC2)c(C)n1-c1cccc(Cl)c1 917785979 IDRIDSZACOIZPI-UYRXBGFRSA-N 451.958 3.671 50 10 JHGE Cc1ccc2c(c1)C(=NNC(=O)CCNC(=O)c1ccccc1Cl)C(=O)N2CCC(C)C 1772720859 WAGLRFBCTVJFDH-UHFFFAOYSA-N 454.958 3.682 50 10 JHGE CCCc1ccc(OCC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)c(Br)c1 1772756168 MOORKPMTTUPCMO-UHFFFAOYSA-N 465.344 3.957 50 10 JHGE BrC[C@H]1C=CCCN1c1ncc(I)cc1Br 1988535307 WTBAWGHGNTWZND-SECBINFHSA-N 457.935 3.979 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1 2010826043 VPYLBPUGZYOKSM-KKSFZXQISA-N 477.693 3.651 50 10 JHGE COC(=O)Cc1ccc(CBr)c(I)c1OC(F)(F)F 2055375529 MPOAJVIVLHYBKC-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE CN(C(=O)c1cc(I)sn1)[C@@H](CCBr)C(F)(F)F 2058241003 WZDSSZLKHIBLCN-LURJTMIESA-N 457.053 3.536 50 10 JHGE CN([C@H]1CCCCC[C@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2115917533 GMTZGDLPJMZAAL-MOPGFXCFSA-N 485.444 3.811 50 10 JHGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)N1CCC(Br)CC1 2163055161 DRPVYYLBABUGED-MRXNPFEDSA-N 458.319 3.887 50 10 JHGE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CBr)cc1 2163057271 ZUKDLGKKOSBONH-HOCLYGCPSA-N 461.422 3.895 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N[C@@H](CBr)c2cscn2)c1Br 2175674887 LPFGZBWMJFTLIU-QMMMGPOBSA-N 460.238 3.998 50 10 JHGE C[P@]1(=O)C[C@H](Br)[C@H](NS(=O)(=O)c2ccc(Br)cc2Cl)C1 2177852268 WVPUJPCCYYKCKN-MZXNSHFHSA-N 465.531 3.519 50 10 JHGE CN(Cc1nn(C)nc1Br)c1ccc(Br)cc1CBr 2226958110 YCENQCYKFKUNHW-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE CO[C@@H]1CN(Cc2c(Br)cccc2Br)[C@H](CBr)[C@H]1OC 2233358045 ZICHPBWKTHVZPZ-MGPQQGTHSA-N 472.015 3.821 50 10 JHGE Cn1ncc(-n2c(CCl)nc3cccc(Br)c32)c1I 2265304561 QNCBUFUAJZUIGN-UHFFFAOYSA-N 451.493 3.865 50 10 JHGE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NNC(=O)c2cc(OC)cc(OC)c2)cc1 2313682580 GKQZQTSSYQWJAI-UHFFFAOYSA-N 486.528 3.672 50 10 JHGE C[C@@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2338842783 MPVXDLPUCLEDOD-VQIMIIECSA-N 485.444 3.668 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@H](CBr)O1 2340057874 OPGUYHNMGSDCFG-WPRPVWTQSA-N 458.521 3.569 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCC[C@@H](Cl)[C@H]2C1 2364217193 UMIGRZVDAUYFHX-FFZOFVMBSA-N 453.004 3.512 50 10 JHGE COc1cc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc(OC)c1OC 10039138 HTMUANJGQAIYTJ-DNTJNYDQSA-N 488.132 3.707 50 10 JHGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 10295618 GFAGBICSVHLIBF-CQSZACIVSA-N 494.411 3.649 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)ccc1Cl 13979810 CFDDTDDWIQAOJV-FMIVXFBMSA-N 453.951 3.916 50 10 JHGE Cc1cccc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14639405 YYMBOOISCBSSEW-CYBMUJFWSA-N 455.736 3.713 50 10 JHGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2c(C)[nH]c3ccccc23)sc(C(=O)N(C)C)c1C 34983621 JXMYQRIBUHGOOB-UVTDQMKNSA-N 450.520 3.880 50 10 JHGE O=C(O)/C=C\C(=O)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 39899588 ZVONKAKMGPYHCB-CFQISCLASA-N 459.687 3.804 50 10 JHGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(O)c1 59475321 MIJGFEZMASXCSJ-CVKSISIWSA-N 458.547 3.827 50 10 JHGE COc1ccccc1C(=O)N/N=C1\C=C/C(=N\NC(=O)c2ccccc2OC)[C@@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 230351188 PLLJYLMSSUNWJM-UHTRJNDYSA-N 470.529 3.584 50 10 JHGE O=C(NCCCCCCI)c1ccc(I)c(O)c1 236561603 JPIBMGFKBTVAMS-UHFFFAOYSA-N 473.092 3.722 50 10 JHGE O=C(Cl)c1ncc(OC(F)(F)F)c(I)c1I 396150879 HVGCTEZPXCEGOF-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE COc1ccccc1OCCN(C)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 918660305 FWXIZPKREFTFKD-HEHNFIMWSA-N 455.518 3.917 50 10 JHGE C[C@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084522533 PIESZIPQUHIILZ-HNNXBMFYSA-N 461.503 3.538 50 10 JHGE COC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743709 JSJHNIKQTZRVNY-LBPRGKRZSA-N 462.344 3.586 50 10 JHGE CC(C)(CI)CN=[S@](C)(=O)CC1(C)CN(C(=O)OC(C)(C)C)C1 1904650303 DJARPWBOTLMHSN-HSZRJFAPSA-N 458.406 3.802 50 10 JHGE O=C1COc2ccc([C@@H](Br)c3cc(I)sn3)cc2N1 2120033951 VTSSRNSWZDDONO-GFCCVEGCSA-N 451.083 3.563 50 10 JHGE C[P@@]1(=O)C[C@H](NC(=O)c2ccc(I)c(Br)c2)[C@@H](Cl)C1 2121335662 BFTUMROZDSICPY-KKRWKGTOSA-N 476.476 3.766 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)c1ccc(Br)cc1C 2141771142 XZARUYBXLJMEBH-UHFFFAOYSA-N 478.044 3.974 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CCl)C(F)(F)F)cc1Br 2146607732 FKIAYHOKIDWWMK-SECBINFHSA-N 459.509 3.968 50 10 JHGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)N1CCC[C@@H](CCBr)C1 2197754838 HLMNNBJDFDZQLW-AZUAARDMSA-N 459.450 3.800 50 10 JHGE C[C@@H](Br)COCc1cn(-c2cc(Cl)ccc2I)nn1 2278383602 TXVRFILLGGZCMG-MRVPVSSYSA-N 456.509 3.825 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1CCO[C@H](CCBr)C1 2295310725 APLAPQLXQSCPTE-CYBMUJFWSA-N 469.999 3.767 50 10 JHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)NCCCn1ccnc1 2296727590 QEEALLQZTKAABU-UHFFFAOYSA-N 467.489 3.757 50 10 JHGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC(=O)O 2313567076 FQVARHLNFGPHDJ-UHFFFAOYSA-N 475.545 3.533 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2321988197 QZKJXAQHMOKEPW-QVKFZJNVSA-N 493.692 3.582 50 10 JHGE CC(C)(CI)CN1C[C@@H](NC(=O)OC(C)(C)C)CCC12CCOCC2 2326670545 WCOWARKYCJZMTH-HNNXBMFYSA-N 466.404 3.986 50 10 JHGE CC1(C)[C@@H](Br)CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338849045 CPCRXTMVWNRHHD-SFHVURJKSA-N 485.444 3.811 50 10 JHGE CC(C)CCN(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338850400 RTYIGXNQPALLRE-UHFFFAOYSA-N 487.460 3.916 50 10 JHGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1C 10152316 RPJIJZXEMZCJAE-CYBMUJFWSA-N 455.736 3.713 50 10 JHGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334043 YWPSAKDQFUTGHE-UHFFFAOYSA-N 483.977 3.676 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 14039065 MHJCFLGNEJKJDX-UHFFFAOYSA-N 490.585 3.984 50 10 JHGE Cc1cccc(-n2c(S[C@@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)nnc2N2CCOCC2)c1 24270723 CGTXELMPQTXVRU-KRWDZBQOSA-N 487.589 3.735 50 10 JHGE COc1ccc(O)c(/C=N\NC(=O)CNc2cc(Br)c(C)c(Br)c2)c1 33154844 XOSXXEKBWKKJIE-WNFQYIGGSA-N 471.149 3.796 50 10 JHGE O=C(NNc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40625033 CLSHGHWHGGHHRT-UHFFFAOYSA-N 479.240 3.796 50 10 JHGE O=C(CCn1cnc2ccccc21)NN=Cc1cc(Br)cc(Br)c1O 254292188 UVCQMULQKGVSQH-UHFFFAOYSA-N 466.133 3.807 50 10 JHGE CCN(C[C@@](C)(CI)OCCOCCCOC)C(=O)OC(C)(C)C 303862501 CGSYCTGNXAPLCH-QGZVFWFLSA-N 459.365 3.507 50 10 JHGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1cc(I)ccc1O 312494565 PREHIYFFBYRSQL-MNOVXSKESA-N 452.130 3.928 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(CBr)cc1 704000163 PMFXNKKYRGJVAI-UHFFFAOYSA-N 465.369 3.646 50 10 JHGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1083972567 AEAIFSBCOQZIHZ-QGZVFWFLSA-N 464.334 3.845 50 10 JHGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 1084214721 HUBXFQVKJUTMBN-UHFFFAOYSA-N 475.486 3.933 50 10 JHGE CS(=O)(=O)c1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1 1614619232 SHBNRJBCTZQHER-PKOBYXMFSA-N 455.361 3.741 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNCC1(NC(=O)OC(C)(C)C)CCOCC1 1902152148 ZEQAQDVNILAKEW-UHFFFAOYSA-N 465.682 3.556 50 10 JHGE O=C(c1csc(Br)c1Br)N1CCOC[C@H]1CCBr 2032955880 GLRSOAFHHRKWTH-SSDOTTSWSA-N 462.001 3.899 50 10 JHGE O=C(CSC1=NC(=Cc2ccccc2)C(=O)N1c1ccc(F)cc1)NNC(=O)c1ccccc1 2042441973 IZUYXFOGUKRSTJ-UHFFFAOYSA-N 474.517 3.764 50 10 JHGE CCN1CCC[C@H]([C@@H](Br)c2ccccc2I)S1(=O)=O 2089534777 HXIZEUILZZAWPO-OLZOCXBDSA-N 458.159 3.541 50 10 JHGE CC(F)(F)C[C@H](CBr)NC(=O)c1cccc(F)c1I 2113231786 WGNRFYRWODFDAW-SSDOTTSWSA-N 450.036 3.969 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)c1CBr 2179789654 TXWPTXIHIFVLDN-GOSISDBHSA-N 455.418 3.934 50 10 JHGE C[C@H]1[C@H](C)N(S(=O)(=O)c2ccc(CBr)cn2)C[C@@H](C)N1Cc1ccccc1 2179814353 BBTYNVXPPOFSPO-IKGGRYGDSA-N 452.418 3.649 50 10 JHGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 2331337281 ODWPHWPLZWMUGV-UHFFFAOYSA-N 455.517 3.618 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](CBr)C12CCC2 2364028602 GOOWURBKEVZZEB-MRVPVSSYSA-N 470.003 3.725 50 10 JHGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 10453255 YRQIOGQIQLXDGN-UHFFFAOYSA-N 484.803 3.940 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667345 QANLCZHXUPVPLA-UHFFFAOYSA-N 464.385 3.742 50 10 JHGE N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 15889098 AQKGOJKIAQLCMO-XNTDXEJSSA-N 481.487 3.790 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccncc1 58987354 LJKACNHJZZLQHX-WPWMEQJKSA-N 473.562 3.869 50 10 JHGE COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OC 59418949 BPNLIBFLYFWYPW-OCKHKDLRSA-N 489.107 3.835 50 10 JHGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ncc(Br)cn1 217254406 SYNZXBDIBSOINT-POHAHGRESA-N 484.095 3.610 50 10 JHGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C1 254814671 QJKVYOVXVLIYPC-IBGZPJMESA-N 487.025 3.855 50 10 JHGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1ccc(I)c(O)c1 312415561 GKXACKAMAXAACH-QWRGUYRKSA-N 452.130 3.928 50 10 JHGE C[C@@H]1CCC[C@H](NC(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)[C@@H]1C 761413958 BDORHZWZWXYYTR-XMSUJCJCSA-N 459.550 3.855 50 10 JHGE O=C(NN=Cc1c(F)cccc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1083921725 NWKFSINNQHEQEX-UHFFFAOYSA-N 458.342 3.684 50 10 JHGE COc1ccccc1C=NNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 1084534121 DUXNUBZTMWVAPW-UHFFFAOYSA-N 457.939 3.694 50 10 JHGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747838 UUVCYXCFSBKGTP-HNNXBMFYSA-N 452.511 3.910 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)cc1 1772752942 KHYQQDVGZGFFDV-UHFFFAOYSA-N 450.289 3.890 50 10 JHGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)c1O 1865696641 PBSZIRVPDMWQHZ-MRXNPFEDSA-N 453.296 3.782 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1ccc(CBr)cc1Br 1887893491 QTTYFSOCURLNFI-VHSXEESVSA-N 476.028 3.748 50 10 JHGE CO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 1901051268 HKXQJUXZZYGFPC-HBNTYKKESA-N 461.919 3.983 50 10 JHGE C[C@@H]([C@@H](Br)c1cc(Br)c(Br)s1)S(=O)(=O)N(C)C 1941945196 FBOAPIDLXGGTEO-YLWLKBPMSA-N 470.046 3.989 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](F)[C@@H](Br)C1 2020430812 BFSBBZHBBKZHDC-IUCAKERBSA-N 476.909 3.611 50 10 JHGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1cc(Br)ccc1Br 2101337389 MZRZEVWORDSPKS-PSASIEDQSA-N 455.972 3.741 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(I)c(Cl)c2)C[C@@H]1Br 2130822124 LGPWVZJHPKNWSX-HOTUBEGUSA-N 458.521 3.615 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154107336 YQVKMCVIGAFLNA-WCFLWFBJSA-N 450.114 3.917 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2162592513 VHNAJVIPCDZHQT-JKSUJKDBSA-N 461.422 3.943 50 10 JHGE O=S(=O)(c1cscc1Br)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2163289370 QJDWTYKVDSMBHA-NKWVEPMBSA-N 457.131 3.705 50 10 JHGE C[C@H](Cl)C[C@H]1CCCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2164503271 UHODJQKMCXUSLO-MRUHUIDDSA-N 458.983 3.603 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179818826 DSVZRLFGOQSIIJ-MSOLQXFVSA-N 469.470 3.828 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 2277918837 VGUBYCICKLYBHA-XYYAHUGASA-N 451.984 3.853 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1ccc(Cl)c(I)c1 2283652768 ZLEJZDMHKQTWBD-NWDGAFQWSA-N 470.532 3.759 50 10 JHGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)c(O)cc1O 2320568219 BDGPZWQURAUGDN-CYBMUJFWSA-N 473.161 3.961 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](CBr)OCC12CC2 2365593194 SPFCUVBHKCSCQX-SNVBAGLBSA-N 470.532 3.713 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c1 12502452 OCPLAQBLNNBWSK-UHFFFAOYSA-N 484.405 3.905 50 10 JHGE O=C(COc1ccc(Cl)cc1)NNC(=O)c1cc(Br)c(Br)s1 15890881 BQYGNRLZMCABJH-UHFFFAOYSA-N 468.554 3.767 50 10 JHGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OC 33378116 OYZJWHKWRXFESL-BJPQZVBLSA-N 462.458 3.695 50 10 JHGE Cc1ccc(Cl)cc1Nc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40592883 HDVJPIHAAWJBHH-UHFFFAOYSA-N 457.834 3.684 50 10 JHGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 40864511 JYQKEHTUEMRWRQ-XMHGGMMESA-N 477.546 3.839 50 10 JHGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccc(Cl)cc4)c3[N+](=O)[O-])CC2)c1C 54520652 IKYDMYMTWOEXPS-UHFFFAOYSA-N 481.944 3.739 50 10 JHGE Cn1nc2c(c1NC(=O)NC[C@]1(C)C[C@H](N=C=O)CC(C)(C)C1)CN(C(=O)OC(C)(C)C)CC2 170290801 FFSVUTAUOINROS-VOIUYBSRSA-N 474.606 3.756 50 10 JHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O 214437345 ZUNSBWCCHOTYQL-XYGWBWBKSA-N 488.540 3.746 50 10 JHGE O=C(NN=Cc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 254483868 PQOJMMZLNBTFFI-UHFFFAOYSA-N 457.895 3.633 50 10 JHGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2C)ccc1OC(=O)c1ccc(OC)cc1 254898433 RIFAPOAVKXKBSB-UHFFFAOYSA-N 475.501 3.710 50 10 JHGE O=[N+]([O-])c1sc(CCl)cc1-n1cnc(I)c1I 404311657 LNONMTJCIBVYTH-UHFFFAOYSA-N 495.467 3.790 50 10 JHGE COc1ccc(C)cc1NC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761409160 CQJFDIDMYUTZPL-ZHZULCJRSA-N 469.501 3.870 50 10 JHGE C=CCc1cc(C=NNC(=O)c2ccc(I)c(O)c2)cc(OCC)c1O 1084486502 AKFGGCIUXZPJHX-UHFFFAOYSA-N 466.275 3.594 50 10 JHGE CCc1ccc(C(C)=NNC(=O)[C@@H](NC(=O)c2ccccc2)c2nnc(O)c3ccccc23)cc1 1565517668 HNOVZWXYIYNRDM-DEOSSOPVSA-N 467.529 3.909 50 10 JHGE COc1ccc(-c2nn(C)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689802 WXCJZOJLIXQZFS-KRWDZBQOSA-N 483.322 3.791 50 10 JHGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(SCC(C)C)cc3)cc2C1=O 1865757967 CSEPPASAKQHCFZ-HNNXBMFYSA-N 453.564 3.904 50 10 JHGE C[C@@H](CCCl)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1960067452 CFZILEJVZGHBEO-SBUREZEXSA-N 480.989 3.860 50 10 JHGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=CC=C2N(C)c3ccccc3C2(C)C)c1 2040448556 AXRFVXAOUGYKGH-UHFFFAOYSA-N 454.596 3.744 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@](CBr)(C(F)(F)F)C1 2120026167 NEDLGYJNOLNGAT-SECBINFHSA-N 469.064 3.537 50 10 JHGE O=C(NCC12CC(CBr)(CO1)C2)c1cc(Cl)ccc1I 2159589980 YGHJPHJSJXZZNE-UHFFFAOYSA-N 470.532 3.619 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@]2(NS(=O)(=O)c3ccc(CBr)cc3)C[C@@H]2C1 2162590057 XISWFUWEGBUWNI-DNVCBOLYSA-N 459.406 3.649 50 10 JHGE Cc1ccc(C(=O)N2CCOC(C)(C)[C@@H]2CBr)cc1I 2282889196 SLOGCQNEFPARRH-ZDUSSCGKSA-N 452.130 3.614 50 10 JHGE O=S(=O)(CC1(CBr)CC1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 2290043097 MZOBXTAGELOGCB-NRFANRHFSA-N 455.462 3.870 50 10 JHGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCC(=O)O)cc2)sc2c1CCCC2 2297382366 ZTCQQUPYKUMEHE-UHFFFAOYSA-N 454.504 3.813 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CC[C@H](CBr)CC1 2364213637 BTPZHNVDBOSJKM-IYARVYRRSA-N 499.471 3.964 50 10 JHGE O=S(=O)(c1cscc1Br)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370246108 AUPOQDUWRZDYAI-HZGVNTEJSA-N 457.131 3.990 50 10 JHGE O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1I 14030747 JKQKELRPYWSYPP-UHFFFAOYSA-N 472.282 3.945 50 10 JHGE COc1ccc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645574 MUCSZFZIHHNCPW-UHFFFAOYSA-N 465.344 3.723 50 10 JHGE CCCCCN1C(=O)/C(=N/NC(=O)c2cc(Br)ccc2O)c2cc(OC)ccc21 38180371 JHEJFESXNDOEFV-FCDQGJHFSA-N 460.328 3.834 50 10 JHGE CC(=O)c1cccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)c1 40705431 SRABCYOZGNGCGK-UHFFFAOYSA-N 461.309 3.834 50 10 JHGE Cc1cc(C)c(OCC(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)c(C)c1 59153803 QHSBDHCEUVOGQM-BHGWPJFGSA-N 480.481 3.760 50 10 JHGE COc1cc(SC#N)ccc1NC(=O)N/C=C1/C(=O)N(CCc2ccccc2)C(=O)C(C#N)=C1C 103646400 JXTIKGBIQMKDCF-XSFVSMFZSA-N 487.541 3.725 50 10 JHGE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4nc(CCl)cs4)cc3C2=O)cc1 170535184 CECUCNUUYBQLMK-UHFFFAOYSA-N 455.923 3.982 50 10 JHGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1 206544785 QFNVUZGNCWHLCW-ZHZULCJRSA-N 490.512 3.861 50 10 JHGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 214209237 JXKYVDKHVZBGHV-BKUYFWCQSA-N 466.497 3.923 50 10 JHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccn2)c2cc(Cl)ccc2C)cc1 252626172 QXVQFWIGYKKDNO-UHFFFAOYSA-N 456.955 3.697 50 10 JHGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253564843 GZQDBGLSKFALLS-BUVRLJJBSA-N 477.481 3.751 50 10 JHGE Nc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(O)c1 382681713 AWORUDHOHFLVQX-PBHICJAKSA-N 452.292 3.762 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCS[C@H](CCl)C1 720058393 AQCHSCRBMMYHSL-SECBINFHSA-N 460.562 3.850 50 10 JHGE C[C@H](Cc1ccc(Br)cc1)NC(=O)NNC(=O)c1cc(F)ccc1Br 728746522 VKYJSTNHAYRPFB-SNVBAGLBSA-N 473.140 3.926 50 10 JHGE COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c(C(=O)O)c1OC 1082753865 SXFKMIRCEDVRHO-UHFFFAOYSA-N 461.474 3.727 50 10 JHGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1084204661 XMDVGCLBNFROKU-UHFFFAOYSA-N 496.545 3.648 50 10 JHGE C=CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@H]1CCS(=O)(=O)C1 1528599674 CBDYDPMXFFBRSU-LPRAYXGFSA-N 457.983 3.856 50 10 JHGE CN(CC(=O)Nc1ccc(Br)cc1Br)C[C@@H]1C[C@H]1Br 1887907475 GNDHCENOVOMAOL-WCBMZHEXSA-N 454.988 3.865 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1C(=O)Nc2c1ccc(Br)c2F 1900275724 DCTACZQEQLIZHF-UWVGGRQHSA-N 452.118 3.912 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Cl)C(F)(F)C1 2034595573 PCJOEBVVIIZCKL-VIFPVBQESA-N 450.448 3.752 50 10 JHGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC=C(C#N)CC2)c1 2060724904 CBZDYRLVNPXOLZ-UHFFFAOYSA-N 453.280 3.934 50 10 JHGE Clc1ccc(I)c(CN2CCN(CCCBr)CC2)c1 2113620727 BJTIRROKNPZBHB-UHFFFAOYSA-N 457.581 3.847 50 10 JHGE CCn1cc(S(=O)(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1CBr 2179788494 CSEQCWLSVIYFAD-GOSISDBHSA-N 454.434 3.688 50 10 JHGE CC1(C)OCCO[C@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 2186764348 HKTVGUXWUIHQFL-JSGCOSHPSA-N 453.114 3.856 50 10 JHGE C[C@]1(CBr)COCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 2199836455 BMWHQFBMRDBQRM-LLVKDONJSA-N 467.632 3.586 50 10 JHGE CC(C)(C)OC(=O)N1CCC(N2CCN(CCCCCI)CC2)CC1 2220214511 JGMDYCMASRDXCE-UHFFFAOYSA-N 465.420 3.609 50 10 JHGE COc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1c(F)cccc1Cl 2296739301 RNAZXTHHXUAGLE-UHFFFAOYSA-N 467.888 3.774 50 10 JHGE Cc1nn(-c2ccccc2)c(C)c1C=C(C#N)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 2297364052 QBSGBFNEVJQGSZ-UHFFFAOYSA-N 460.446 3.914 50 10 JHGE COc1c(Br)cc(C=NNC(=O)c2ccc(N)cc2)c(OC)c1Br 2323310773 PJAATZFCFZZQRO-UHFFFAOYSA-N 457.122 3.575 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4cc(Cl)ccc4O)c(=O)c23)cc1 2325904590 CQGAKQYZSUSLSV-UHFFFAOYSA-N 452.923 3.943 50 10 JHGE CC1(C)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2364213061 DKVCJBRHCOAWDN-KRWDZBQOSA-N 499.471 3.916 50 10 JHGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623280 ZDCJEVWQDFDEPV-ILBGXUMGSA-N 471.557 3.707 50 10 JHGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14016294 YHKSFGBVWLATGX-UHFFFAOYSA-N 499.633 3.557 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc(OCc2ccccc2)cc1 14027881 XOCDQKHITKWPHY-UHFFFAOYSA-N 455.308 3.868 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C(/S)NC(=O)/C=C\c3ccc(C)o3)cc2)c1 33769537 PTBJFWOFFMBILH-SEYXRHQNSA-N 462.531 3.909 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 41014026 SSZRNMYFJNDQAJ-KGENOOAVSA-N 478.545 3.877 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@H](C)CBr)cc1Br 123682677 DFCGGIUTQFDFDY-MRVPVSSYSA-N 464.017 3.924 50 10 JHGE CC(C)[C@H](CI)NS(=O)(=O)c1ccc(Cl)c(Br)c1 232750607 JZLNNSGSRBNKEQ-NSHDSACASA-N 466.566 3.840 50 10 JHGE Cc1ccc(C=NNC(=O)[C@@H](NC(=O)COc2ccc3ccccc3c2)C(C)C)cc1[N+](=O)[O-] 252589410 AKMJCLLJXUCJOH-DEOSSOPVSA-N 462.506 3.726 50 10 JHGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(OC)cc2)NC(=O)c2ccccc2)ccc1O 254382187 XBBCQSJZNJDZHU-IXKTZPFVSA-N 459.502 3.721 50 10 JHGE CC(=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(NC(=O)CCCC(=O)O)cc1 254395273 MQLYIYWJMHVSCH-UHFFFAOYSA-N 473.529 3.656 50 10 JHGE CO[C@@]1(CBr)CCCN(C(=O)c2ccc(I)c(Cl)c2)C1 401864872 BSPDWXDDBRLXES-CQSZACIVSA-N 472.548 3.961 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H](CCl)O1 721620323 OIRRYEYZQQKVGX-WPRPVWTQSA-N 458.521 3.522 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)cc1 725384699 LKLVLVOSSQCGIA-UHFFFAOYSA-N 482.606 3.636 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1cccc2ccccc12 725758767 HPSAIIIMJHZCHF-HAVVHWLPSA-N 476.602 3.696 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)[C@H]2COC[C@H]21 2040609347 YWOYTPABFKGYEI-MHSYXAOVSA-N 459.985 3.507 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2121590290 CPJWHESKWYGXOY-FJXKBIBVSA-N 474.012 3.755 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1csc(CBr)c1)C2 2123236671 IXUMWHLXHLIYMB-QFBILLFUSA-N 455.443 3.786 50 10 JHGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccn([C@@H]2CCCCO2)n1 2174001633 KJJFVLPDTZTTGL-MJGOQNOKSA-N 456.406 3.947 50 10 JHGE O=S1(=O)CC[C@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2263515090 KOKXGMWKZJZUNA-CABZTGNLSA-N 461.013 3.952 50 10 JHGE C[C@H](Br)[C@H](NC(=O)c1c(F)cccc1I)C(F)(F)F 2267676814 KPATZGGUWOTRJU-CDUCUWFYSA-N 453.999 3.874 50 10 JHGE COCC[C@@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277931269 WSPLXRIWVJSYRD-LBPRGKRZSA-N 457.988 3.670 50 10 JHGE C[C@@H](Cl)COCc1cn(-c2ccc(Br)cc2I)nn1 2278378011 ZYNJLCUUCQTELJ-MRVPVSSYSA-N 456.509 3.778 50 10 JHGE O=S(=O)(Cc1ncsc1Br)N[C@@H](CCCl)COCc1ccccc1 2303768226 DZUIZRSBPYRHBC-ZDUSSCGKSA-N 453.811 3.539 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2CCc3nccn32)CC1 2326859633 QAWCCTQWQSAWOZ-CQSZACIVSA-N 461.344 3.592 50 10 JHGE Clc1ccc(CN2CCN3C[C@H](Br)C[C@H]3C2)cc1I 2337223572 OGZWJOYDXWVWQF-NEPJUHHUSA-N 455.565 3.598 50 10 JHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1Br 14034434 DXVJJWGYOPWZPB-UHFFFAOYSA-N 494.411 3.832 50 10 JHGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc3sccc3C(N)=O)c2C)cc1 96445779 RPSSYQYGWNKAJQ-PDGQHHTCSA-N 492.557 3.742 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1cc(Br)c(Br)s1 122134024 KIEIEEXYKKLOQV-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE CC(C)[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 136673407 OKWALZMWFHMZQD-SNVBAGLBSA-N 464.017 3.909 50 10 JHGE COc1ccc(C=NNC(=O)c2cnc3ccccc3c2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 254410630 HYZQQMOUGBXANY-UHFFFAOYSA-N 458.478 3.777 50 10 JHGE Cc1cc(C)c(OCC(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)c(C)c1 1084174439 CFZNDNFADVFVLS-UHFFFAOYSA-N 472.501 3.966 50 10 JHGE C=CCOc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 1084328582 XVMDVXCJVFQXHN-UHFFFAOYSA-N 459.502 3.928 50 10 JHGE CC(=O)N(CC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccccc1 1348721174 XIZGNIVDCINKSW-UHFFFAOYSA-N 451.910 3.733 50 10 JHGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 1566603685 YXIFBVYQQCPFRX-UHFFFAOYSA-N 454.426 3.923 50 10 JHGE O=C(NNc1ccc(OCCOc2ccccc2Cl)cc1)[C@H]1CCCN1C(=O)C(F)(F)F 1858080401 BBGDZGRXOAARKL-QGZVFWFLSA-N 471.863 3.794 50 10 JHGE C[C@@H](C(=O)N/N=C\c1ccc(F)c(Br)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860773610 BXCLEFSBADNUFC-GUUVYQKGSA-N 477.359 3.950 50 10 JHGE C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[C@H](CBr)NC(=O)OC(C)(C)C 1882088778 UMRXZXZQABWLLY-KFWWJZLASA-N 451.402 3.937 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1Br 2026222555 ZYDGLCRPVXGMQN-OIBJUYFYSA-N 472.946 3.909 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@@H](Br)C2)cc1Br 2063149169 HEVGAYXWRKRHGB-OCAPTIKFSA-N 462.001 3.724 50 10 JHGE CCN1CCC[C@H]([C@H](Br)c2cccc(I)c2)S1(=O)=O 2089533708 ASOCNVYUFDFYNI-CHWSQXEVSA-N 458.159 3.541 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1ccc(CBr)s1)C2 2123240972 CRTZBPKGQLQBCY-LPHOPBHVSA-N 455.443 3.786 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1Cc1ccc(I)c(Cl)c1 2142949630 LJBURFAVRRPZNQ-RYUDHWBXSA-N 457.581 3.844 50 10 JHGE O=C(c1cccc(Br)c1Br)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2148755171 XLQPTNLZYIAXQW-XXILOJSOSA-N 467.983 3.979 50 10 JHGE Cn1nc(Br)c(CC(CBr)(CBr)c2ccccc2F)n1 2235293269 KSSUXHNVNQATEM-UHFFFAOYSA-N 469.978 3.987 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H]1C[C@H](Br)C1 2263362246 DSDLTVCBZMZWCB-KKUMJFAQSA-N 476.209 3.927 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNCCc1ccc(OC)c(OC)c1 2325306802 MWTNWNPAOOYAEX-UHFFFAOYSA-N 451.523 3.839 50 10 JHGE CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(F)c3)sc2c1 2329674337 XAAXMLKUSHKKQD-UHFFFAOYSA-N 458.540 3.915 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CC[C@H](CBr)CC1 2364019030 KYNHWPFLGQQVGB-KYZUINATSA-N 472.019 3.876 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016863 CLWMUWTWDZQLKH-UHFFFAOYSA-N 453.539 3.533 50 10 JHGE Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 14563341 CBBFNVLOZFRVGB-UHFFFAOYSA-N 478.412 3.524 50 10 JHGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)c1 14644969 JNNXEKQQMAOHTK-UHFFFAOYSA-N 464.385 3.823 50 10 JHGE CCN(CC)c1ccc(/C=C(/C#N)C(N)=S)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 33477478 AAWYGZYFJKTRLN-YBEGLDIGSA-N 453.524 3.652 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1ccccc1F 40649284 ACRLSRVOGVEMBF-UHFFFAOYSA-N 494.224 3.629 50 10 JHGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3c(C)nc4ccc(C)cn34)cc2)cc1 725409612 VDNJPIQVTZPURG-UHFFFAOYSA-N 471.517 3.741 50 10 JHGE O=C(CSc1nc2ccccc2s1)NN=Cc1cc(Br)c(O)c([N+](=O)[O-])c1 1772760552 ODBOGPKQJDJLTA-UHFFFAOYSA-N 467.326 3.915 50 10 JHGE CN1CC[C@@H]([C@@H](Br)c2scc(Br)c2Br)S1(=O)=O 1941941027 DRYRKWSEZZNOQJ-POYBYMJQSA-N 468.030 3.743 50 10 JHGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)CCC(CCl)CCl 1955945713 AYJMYFFAERXDQZ-UHFFFAOYSA-N 453.432 3.827 50 10 JHGE CC(F)(F)C[C@@H](CBr)NC(=O)c1cccc(F)c1I 2113231787 WGNRFYRWODFDAW-ZETCQYMHSA-N 450.036 3.969 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1cc(Br)c(Br)s1 2122370202 RVQIRZRRUPUZGX-JGVFFNPUSA-N 475.044 3.813 50 10 JHGE Cc1cc(S(=O)(=O)N2CC[C@@H](CBr)C(F)(F)C2)sc1Br 2146374366 BTTLVUYIRUALCK-QMMMGPOBSA-N 453.168 3.860 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2NS(=O)(=O)c1ccc(CBr)cc1 2164514039 MLQRJEYRHULUDM-HDEZJCGLSA-N 459.406 3.552 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164657516 XLCDHLWHHDTMSU-SUZMYJTESA-N 450.114 3.775 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2COC[C@@H](C1)C2Br 2167771551 ZZQKXALBYBWGJH-PHXKMMTBSA-N 467.983 3.694 50 10 JHGE Clc1ccc(I)c(CN2C[C@@H]3COC[C@@]3(CBr)C2)c1 2226182757 QQNMJCDGOPVFFK-BXUZGUMPSA-N 456.549 3.788 50 10 JHGE COCCn1c(C)cc(C=C(C#N)C(=O)Nn2cnc3scc(-c4cccs4)c3c2=O)c1C 2297434930 YTYRWAOJVFOOLT-UHFFFAOYSA-N 479.587 3.929 50 10 JHGE O=S(=O)(Cc1ncsc1Br)N[C@H](CCBr)COCc1ccccc1 2303542670 HTJKVMRVXPWUQB-CYBMUJFWSA-N 498.262 3.695 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1CCOCCI 2306802019 LKNCZJQAKUQTCK-CVEARBPZSA-N 452.377 3.692 50 10 JHGE Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c12 2318370977 QFOYKWGWGRGVBP-UHFFFAOYSA-N 466.544 3.854 50 10 JHGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334274 VCPBTHAOXUQTIC-UHFFFAOYSA-N 483.977 3.676 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12581452 OIMCJVKVRSYOFL-UHFFFAOYSA-N 458.729 3.900 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 59146859 FFOSEJKKLCMXHU-XLVZBRSZSA-N 462.594 3.716 50 10 JHGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)c(OC)c2)sc2c1CCCC2 108095386 XMBKDTIQTHQOQP-ZROIWOOFSA-N 456.520 3.985 50 10 JHGE COc1ccc(C=NNC(=O)Cc2ccc(F)cc2)cc1CN1CCN(c2ccc(F)cc2)CC1 254386538 UMSQLFLNVMPVSI-UHFFFAOYSA-N 478.543 3.988 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(F)cc3)cc2OC)cc1 254403567 SJZHHSSEVOLWBD-UHFFFAOYSA-N 479.464 3.541 50 10 JHGE COc1ccc(CC(=O)NN=C(C)c2ccc(C(C)=NNC(=O)Cc3ccc(OC)cc3)cc2)cc1 254504525 UABSYRBFHMYMER-UHFFFAOYSA-N 486.572 3.870 50 10 JHGE COC[C@@](C)(CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 716859465 DGUVDERKCCPEKP-GFCCVEGCSA-N 494.043 3.598 50 10 JHGE O=C(NN=Cc1ccccc1I)C(O)(c1ccccc1)c1ccccc1 1083938426 KOUYAYGRKNSAOO-UHFFFAOYSA-N 456.283 3.677 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)c1 1558199973 PGJWTGGBKAPETH-LJQANCHMSA-N 457.397 3.585 50 10 JHGE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614621248 WVVNALWWJULNRJ-MJGOQNOKSA-N 499.370 3.877 50 10 JHGE O=C(NNc1ccc(OCCOc2cccc(Cl)c2)cc1)[C@H]1CCCN1C(=O)C(F)(F)F 1858080442 DCQGFRHXWZCIPN-GOSISDBHSA-N 471.863 3.794 50 10 JHGE COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc(OC)c1OC 1860772622 BQTTYSPDVALTCX-LUOAPIJWSA-N 492.557 3.610 50 10 JHGE O=S(=O)(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)[C@H]1C[C@H](OCc2ccccc2)C1 1877514768 VIQLXZYAJRNDHG-VGWMRTNUSA-N 456.324 3.617 50 10 JHGE COC1CC(CCl)(NC(=O)c2ccc(I)c(Br)c2)C1 1899799445 FMMCSGXFWBTPMM-UHFFFAOYSA-N 458.521 3.570 50 10 JHGE BrC[C@@H]1CN(c2ncc(I)cc2Br)CCS1 1988534549 LSUYTRLJTGJUDD-MRVPVSSYSA-N 477.991 3.765 50 10 JHGE CCOc1cc(I)c(I)cc1C(=O)CBr 2060130865 SLSYEGYBHBWSEJ-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE O=[N+]([O-])c1c(I)cc(I)cc1CBr 2060231318 BPQHTDLSZOIMLX-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE CO[C@@H]1C[C@@H](Cl)CN(C(=O)c2ccc(I)c(Br)c2)C1 2109023879 ZUKKMTDROOFQPY-NXEZZACHSA-N 458.521 3.522 50 10 JHGE CC(C)(C)OC(=O)NC[C@H](NC(=O)N1CCC(Br)CC1)C(F)(F)C(F)(F)F 2162491015 VMRLVHVIMWSOGG-JTQLQIEISA-N 468.261 3.646 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCC[C@H]2NS(=O)(=O)c2ccc(CBr)cc2)C1 2162592660 WOJSGRKDYWDXCN-MRXNPFEDSA-N 459.406 3.649 50 10 JHGE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)S(=O)(=O)c1ccc(CBr)cc1 2163618889 ZSYIDCAKBHIXEH-WMLDXEAASA-N 461.422 3.848 50 10 JHGE CN(Cc1ccc(I)cc1)S(=O)(=O)c1ccc(CBr)o1 2280254032 KSTYUUXRCYRERI-UHFFFAOYSA-N 470.126 3.600 50 10 JHGE COCCCNC(=O)C(C#N)=Cc1c(Oc2cc(C)ccc2C(C)C)nc2ccccn2c1=O 2296721708 BXBIXDAUZZINEC-UHFFFAOYSA-N 460.534 3.978 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)[C@H](C(=O)OC)CC3)cc1OC 2297307656 NPACDYJVJINSSN-OAHLLOKOSA-N 484.530 3.690 50 10 JHGE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2322965146 DGFXOKJKXACBMV-YCRPNKLZSA-N 493.692 3.725 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@]12CCC[C@]1(CCl)C2 2364209027 ODBOUJPWYWBNBX-FGZHOGPDSA-N 453.004 3.562 50 10 JHGE C[C@H](CCl)[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364209042 OJAGPTMXBJXJJZ-XLIONFOSSA-N 455.020 3.902 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCCl 2364215143 RIJFRYDPLNEJRG-ROUUACIJSA-N 455.020 3.760 50 10 JHGE C=CC[C@@]1(CBr)CCN(C(=O)c2c(Br)c(Br)nn2C)C1 2364229481 BKEQZPBGAHGOKR-ZDUSSCGKSA-N 470.003 3.748 50 10 JHGE COc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 9695880 HAPQEXQKXHZGHQ-UHFFFAOYSA-N 489.153 3.944 50 10 JHGE N#C/C(=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1)C(=O)OCc1ccccc1 10238027 WGOBOAWCHAXTNQ-WOJGMQOQSA-N 479.334 3.838 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 14654947 ZBOUDDGGIZOBOW-UHFFFAOYSA-N 462.344 3.645 50 10 JHGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 33621574 BTDKTNYXYLXWDY-DHDCSXOGSA-N 461.543 3.720 50 10 JHGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])nc12 40650408 HPZREDHIVKPOBE-UHFFFAOYSA-N 466.439 3.712 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OC)c2)c(OC)c1 98027965 LMBCHYFHZSHDFH-INBJJMLYSA-N 462.502 3.930 50 10 JHGE CCn1c(SCC(=O)NN=C(C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)cc1 254826499 DEIYOTYOVCEVKY-UHFFFAOYSA-N 454.512 3.514 50 10 JHGE CCOC[C@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 380821230 PUYODIWBVURHJB-SECBINFHSA-N 494.043 3.598 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(CCOc3ccccc3)CC2)c(-c2ccccc2)n1 914463853 GTWZHMQDLOAHJS-HIXSDJFHSA-N 480.572 3.594 50 10 JHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccc1F 1084121511 MMSDNFSYMXVCOU-UHFFFAOYSA-N 473.957 3.863 50 10 JHGE COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)NN=Cc2ccc(Cl)cc2Cl)ccc1O 1084230767 FSHPKCIRGDJMGI-GOSISDBHSA-N 465.362 3.651 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1 1562543047 ILRNULADUISHOE-HNNXBMFYSA-N 459.462 3.713 50 10 JHGE Cc1c(C(=O)N2CCCC2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747896 SOPADIQPJVERGU-UHFFFAOYSA-N 457.346 3.814 50 10 JHGE C[C@H]([C@H](Cl)c1cc(I)ccc1Br)S(=O)(=O)N(C)C 2029075192 POJPLVLQDQKKIQ-HQJQHLMTSA-N 466.566 3.614 50 10 JHGE O=S1(=O)CC[C@H](COc2c(Br)cc(CBr)cc2Br)C1 2092343545 RRXOOIYPZJNWOZ-MRVPVSSYSA-N 477.012 3.920 50 10 JHGE C[C@@H](CBr)N1CCN(C(=O)c2csc(Br)c2Br)CC1 2113065357 AWEPUJPUFZEDBD-QMMMGPOBSA-N 475.044 3.814 50 10 JHGE O=C(c1csc(I)c1)N1CCC2(CC1)C[C@@H](Br)CO2 2116541207 VLZLDDPRRPLEFL-SNVBAGLBSA-N 456.143 3.511 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150958003 IYDJWPUZAYZHDU-BIMULSAOSA-N 450.114 3.632 50 10 JHGE C[C@H](Cl)C[C@@H]1COCCN1C(=O)c1ccc(Br)cc1I 2207261338 KWLKXDCEPZNXJY-GXSJLCMTSA-N 472.548 3.912 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NC1CC(Br)C1 2221677143 FKZQCVPPKNRETA-PIMMBPRGSA-N 476.209 3.927 50 10 JHGE C[C@H](Cl)COCc1cn(-c2cc(Br)ccc2I)nn1 2278370941 BEFMTXRYGNGSBA-QMMMGPOBSA-N 456.509 3.778 50 10 JHGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccccc2C)C(=O)N1c1ccc(Br)cc1 2293038735 WUFRRPVCCWCCEF-GOSISDBHSA-N 456.365 3.930 50 10 JHGE COc1ccc(NC=C2C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)c(OC)c1 2297471749 NFWAZTNYYJDXTG-UHFFFAOYSA-N 456.502 3.932 50 10 JHGE Clc1ccc(CN2CCN3C[C@H](Br)C[C@H]3C2)c(I)c1 2341052226 SBORZWMXBYSRCW-YPMHNXCESA-N 455.565 3.598 50 10 JHGE COc1cc(OC)c(/C=N/NC(=O)COc2ccc(Br)cc2)cc1Br 12582520 DCNWAVDZRKGOFS-AWQFTUOYSA-N 472.133 3.758 50 10 JHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1 14037200 LNUOWUKRYBSXTP-UHFFFAOYSA-N 457.596 3.949 50 10 JHGE COc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1OC 40148022 WGFKYMCPVFGBIU-UFWORHAWSA-N 458.106 3.698 50 10 JHGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 40569368 AMDZLKIMIDGCEB-FXAWDEMLSA-N 470.367 3.960 50 10 JHGE COc1ccc(Oc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40658406 UTCXSDGFXSPGOX-UHFFFAOYSA-N 460.244 3.705 50 10 JHGE CCCCCCCC(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1Br 100171242 IUXWNQDJFNNBIR-UHFFFAOYSA-N 458.422 3.773 50 10 JHGE CCOC(=O)c1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(C)cc2Br)cc1 100996018 PVTANXKBWBTKAU-MFKUBSTISA-N 490.354 3.834 50 10 JHGE Cn1nc2c(c1NC(=O)NC[C@]1(C)C[C@@H](N=C=O)CC(C)(C)C1)CN(C(=O)OC(C)(C)C)CC2 170290797 FFSVUTAUOINROS-UPCLLVRISA-N 474.606 3.756 50 10 JHGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OC 206500382 BUEWHTDHNPQRFJ-KFTIJMADSA-N 450.491 3.763 50 10 JHGE COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=C(C)c3ccccc3O)cc2)CC1 254354199 WQWQCCJZOJIZSC-UHFFFAOYSA-N 458.562 3.877 50 10 JHGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1ccccc1NC(=O)c1ccc(OC)c(OC)c1 254668915 IHYWJVJHYHVCBY-UHFFFAOYSA-N 493.516 3.746 50 10 JHGE COC(=O)c1cccc(-c2ccc(C=NNC(=O)[C@H](NC(=O)Cc3cccs3)C(C)C)o2)c1 254846652 NXPJSLIOHFBCTA-JOCHJYFZSA-N 467.547 3.628 50 10 JHGE O=C(NCCN1CCC(Br)CC1)c1cc(Br)c(Br)s1 321183566 RDWISXPOAVXUBQ-UHFFFAOYSA-N 475.044 3.862 50 10 JHGE O=C1NCCOc2ccc([C@@H](Br)c3sccc3I)cc21 380754815 WKGHIGFNTOEZOP-GFCCVEGCSA-N 464.122 3.959 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C1CCCCC1 703949962 HDXXEGMQCYCUBI-GOSISDBHSA-N 485.444 3.572 50 10 JHGE Cc1ccc(CNC(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 761396673 HWQPMSRAAGISPC-HYARGMPZSA-N 453.502 3.539 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)ccc1OCc1ccc(I)cc1 1084128022 MMMAUUSTDDULFJ-MHWRWJLKSA-N 462.287 3.874 50 10 JHGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 1298378757 PJJMDQBVZVTLDF-UHFFFAOYSA-N 452.536 3.640 50 10 JHGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)cc1O)C(C#N)=C(N)O2 1865681411 MTEXLFPAUZGDEF-SFHVURJKSA-N 453.296 3.827 50 10 JHGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@@H]1C[C@H]1Cl 1991444468 ZRJLSLCFVFCISJ-DLPLYFIVSA-N 491.993 3.799 50 10 JHGE CC[C@H](C)[C@@H](CI)NC(=O)c1ccccc1I 2023036565 AWDUETCXCPSMEE-JOYOIKCWSA-N 457.093 3.871 50 10 JHGE CCN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 2163052576 FPONUBDTZLQQKR-INIZCTEOSA-N 461.422 3.992 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@@H]1C1CC1 2196364534 ORJXSBRSUZIDPE-SJORKVTESA-N 459.406 3.648 50 10 JHGE O=C(NC[C@H]1C[C@H]1Br)Nc1c(Br)cc(Br)cc1C(=O)O 2196902414 BJIXJALNTUNHBC-SVGQVSJJSA-N 470.943 3.815 50 10 JHGE O=C(N[C@@H]1CC[C@H]1CBr)c1ccc(I)c(Br)c1 2213319686 WLQJWYJYVKBRLE-GZMMTYOYSA-N 472.946 3.957 50 10 JHGE CC[C@](C)(CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1ncc(Br)cc1B(O)O 2217180739 KMSKAXPPQYBCSF-JOCHJYFZSA-N 493.207 3.509 50 10 JHGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)C=Cc1ccc(Cl)cc1 2313864616 WOSUBQBGIAAQDG-OAHLLOKOSA-N 453.951 3.996 50 10 JHGE O=C(c1ccc(Br)cc1I)N(CCCl)C1CCOCC1 2381877665 KAFJNNOUERMYCC-UHFFFAOYSA-N 472.548 3.914 50 10 JHGE CCOC(=O)c1nn(-c2ccc(Br)cc2)c(=O)c2c(NC(=O)[C@H](C)Cl)scc12 10248094 LBWQEANBJGBGEE-VIFPVBQESA-N 484.759 3.952 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999186 YMKUKKCNUJFXBT-LJQANCHMSA-N 499.633 3.557 50 10 JHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14662665 BMONUNGVVOMVDW-HNNXBMFYSA-N 487.350 3.856 50 10 JHGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCN2CCOCC2)cc1 35212616 RAVAOOQFWQVBHO-NMWGTECJSA-N 485.588 3.683 50 10 JHGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2N)cc1OC 40683928 BUPZVYLKGIUWSY-UHFFFAOYSA-N 477.352 3.794 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(Cl)ccc2Cl)c(OC)c1 40878514 AVEPMFZLKKGNBB-OQLLNIDSSA-N 479.316 3.656 50 10 JHGE C#CCOc1c(Br)cc(/C=N/NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 58894169 NSGKPWGIZYUWMX-PXMCARDJSA-N 489.366 3.832 50 10 JHGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccccc1O 59147719 UZQCOWOLBKGUFT-QQTULTPQSA-N 468.282 3.975 50 10 JHGE COC[C@@H](Br)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 147638950 RGUSVPXDWRHDQS-QMMMGPOBSA-N 470.010 3.786 50 10 JHGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NNC(=O)c2ccncc2)cc1 205964543 RYJQRYGFKINEIR-RCCKNPSSSA-N 484.541 3.659 50 10 JHGE COc1ccc(N(CC(=O)NN=C(C)c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 725442984 PLGAMLBGLWVTIU-UHFFFAOYSA-N 481.574 3.748 50 10 JHGE Cc1ncc(S(=O)(=O)NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)[nH]1 727350467 NJVPUZBPJRJBQI-UHFFFAOYSA-N 462.531 3.587 50 10 JHGE C[C@@H](NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc2c(c1)CC(=O)N2C 728398776 FYAWDZNPHMGZFL-MRXNPFEDSA-N 476.508 3.629 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCc2ccc3ccccc3n2)cc1 729621727 FEAOXKXZWSASJN-XSFVSMFZSA-N 481.512 3.633 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 746184240 IFGVCQIGKAYHHX-UHFFFAOYSA-N 450.900 3.980 50 10 JHGE Cc1ccc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)c1C 1084182299 DHYXDZONQVBDJU-UHFFFAOYSA-N 480.546 3.866 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NS(=O)(=O)c1ccc(CBr)cc1 1260511291 YADLIVKYQUCHSB-MRXNPFEDSA-N 459.406 3.649 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)cc1 1310492236 RVCXMJZIJPNUEB-KRWDZBQOSA-N 457.490 3.848 50 10 JHGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1 1457635080 VEQLOZKFTYWTGU-ZDUSSCGKSA-N 454.412 3.516 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743778 IKGRIFMEJDNHKR-UHFFFAOYSA-N 482.899 3.926 50 10 JHGE O=C(N[C@H]1C[C@H]1CBr)c1ccc(I)c(Br)c1 1894179035 HSYHQFXRUGTGRJ-XVKPBYJWSA-N 458.919 3.567 50 10 JHGE C[C@H](CCCCCI)NC(=O)c1cc(I)sn1 2007658130 ZPHLOTBNFRMHNL-MRVPVSSYSA-N 478.137 3.861 50 10 JHGE O=C(NC[C@@]1(CBr)CCCO1)c1csc(Br)c1Br 2073629250 DNABVHVYKPWLIF-NSHDSACASA-N 462.001 3.947 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CCC2(CC1)C[C@@H]2CBr 2148909522 JUIRLNHOHSBFPW-LLVKDONJSA-N 450.114 3.634 50 10 JHGE COC[C@@](C)(CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 2157978385 LXHWVSQKJDRIRB-GFCCVEGCSA-N 494.043 3.680 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CBr)cc2F)C1 2179789318 PCVUSMSTPDNFFT-INIZCTEOSA-N 455.393 3.863 50 10 JHGE Cc1cc(C(=O)N2CCOC[C@@H]2C[C@@H](C)Br)ccc1I 2207097135 OIEOQVLJRIMULJ-YPMHNXCESA-N 452.130 3.614 50 10 JHGE CO[C@@H]1CN(C(=O)c2cc(Br)sc2Br)[C@H](CBr)[C@H]1OC 2233356430 PSNNDGBRWZRHFG-NQMVMOMDSA-N 492.027 3.522 50 10 JHGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1cc(Cl)ccc1I 2279403451 AKUCROVCWDTQKH-KOLCDFICSA-N 472.548 3.865 50 10 JHGE O=C(c1c(F)cccc1I)N1CCC(F)(F)[C@@H](CBr)C1 2282806969 ICBFESYBYQLWOF-QMMMGPOBSA-N 462.047 3.923 50 10 JHGE COc1ccc(CC(=O)NN=Cc2cc(Br)cc(Br)c2OC)cc1 2323331787 MVGGKOAGMPWFEI-UHFFFAOYSA-N 456.134 3.922 50 10 JHGE C[C@]1(CBr)C=CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338832881 GQFVHXGZJHRTBH-OAQYLSRUSA-N 483.428 3.588 50 10 JHGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1I 2365589853 ACAFRYXWFVAUFM-MWLCHTKSSA-N 472.548 3.959 50 10 JHGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 10000445 NUPDDKQNXNGVEC-PMDBQALLSA-N 468.362 3.505 50 10 JHGE CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14014004 MKKFGHNWESPKGS-MRXNPFEDSA-N 455.736 3.795 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(F)cc1 38652534 VOCKHGUKQOWOHR-HSZRJFAPSA-N 461.405 3.936 50 10 JHGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1ccncc1 40607344 FWBKUWKUBAWZDM-UHFFFAOYSA-N 455.478 3.744 50 10 JHGE COc1ccc(CNc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40619322 HCQCSAZCZBIQJA-UHFFFAOYSA-N 493.307 3.834 50 10 JHGE O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NC1CCCCC1 59506888 UOSJXXXECPJKQV-ZVHZXABRSA-N 458.356 3.927 50 10 JHGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc(OC)c1O 66200746 SPQNSONLEJFURY-FOKLQQMPSA-N 465.344 3.999 50 10 JHGE COc1ccc(Br)cc1/C=C\C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 98002791 DHORIODFHAUUCO-FLIBITNWSA-N 482.334 3.905 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101616012 XYKRXKFFWIVYIR-BUVRLJJBSA-N 470.938 3.848 50 10 JHGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2)cc1OCC 207127661 ILEJLHCSBMIMOA-MWXRSDQMSA-N 464.518 3.772 50 10 JHGE C=CCc1cccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)c1O 254815626 ASDQRTPIDDTDIT-UHFFFAOYSA-N 456.502 3.770 50 10 JHGE C[C@@H](Br)C(=O)c1cc(I)cc(I)c1 306730045 PAOOPRULWSZGIT-RXMQYKEDSA-N 464.866 3.862 50 10 JHGE CO[C@H]1C[C@H](CCl)N(C(=O)c2cc(I)ccc2Br)C1 311681103 QVIWQBDJBCAEAS-ZJUUUORDSA-N 458.521 3.522 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2cc(Br)ccc2Br)C1 311962138 NOKDZIUBUVCLBM-ZJUUUORDSA-N 455.972 3.836 50 10 JHGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)CC1 727332443 IHTSBUORKKDJBD-CVGPFBNFSA-N 464.566 3.513 50 10 JHGE Cc1ccc(CNC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 729344148 BOKQEWHSPWBBCC-QKYYUXOMSA-N 467.529 3.927 50 10 JHGE CC(=O)Nc1ccc(C(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 761396251 DQYZDHBVORSLAB-STZFKDTASA-N 467.485 3.755 50 10 JHGE C=CC[C@]1(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1586387876 KHMQDLAECABXNK-IVZQSRNASA-N 451.951 3.601 50 10 JHGE C[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866625435 XHWOMKLBWUERQC-CQSZACIVSA-N 493.010 3.600 50 10 JHGE CCC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866626789 OUNMMONQFQLNEZ-OAQYLSRUSA-N 486.619 3.727 50 10 JHGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H](Br)C1 1893144377 PEJLUHTVEOQLBA-DKIMLUQUSA-N 455.393 3.775 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CC1(CBr)CCOCC1 1977964375 WAVYRFPBVLSDIM-UHFFFAOYSA-N 494.471 3.530 50 10 JHGE Cc1nn(C)c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1Br 2017377672 WEIKPZYJMQZBID-CQSZACIVSA-N 459.182 3.543 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Br)cs1 2023039797 UXXGDWGPNGLCIO-VXNVDRBHSA-N 452.177 3.639 50 10 JHGE O=C(c1scc(Br)c1Br)N1CCOC[C@H](CBr)C1 2036937952 BNHAEDZQVQVIIA-SSDOTTSWSA-N 462.001 3.757 50 10 JHGE CC=CC=CC(=O)NNC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 2040445108 ZYBPBHZTJMSPCE-UHFFFAOYSA-N 461.490 3.912 50 10 JHGE O=C(NN=C1C[C@H]2CC=C[C@H]12)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 2059868385 RZOPDSWWKMTYDA-KDOFPFPSSA-N 460.353 3.932 50 10 JHGE Cc1c(Cl)cc(C(=O)NCCOCCCI)cc1Br 2111096751 JBUZNIZKRAVOKE-UHFFFAOYSA-N 460.537 3.982 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@H]1CCCC[C@@H]1Br 2123032001 PUNVHPSBGGPRSB-APWZRJJASA-N 485.444 3.716 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)[C@@H]1C(C)(C)C 2128678237 GCOWEPKAXMHPPB-IAGOWNOFSA-N 485.444 3.523 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CCBr)cc2)C1 2179776901 XZUAJGZFDBAZHP-SFHVURJKSA-N 451.430 3.767 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NS(=O)(=O)c3ccc(CBr)cc3)C[C@@H]21 2202030877 MLEIPQUSPRGJLW-NXNVCVFFSA-N 459.406 3.552 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[C@@H]1Br 2221691389 ZRZQRMXWZFWDRF-AEGPPILISA-N 476.209 3.785 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2COC[C@@]2(CBr)C1 2226184126 VRMHIBOQCWSMNP-JMCQJSRRSA-N 474.012 3.757 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H](CBr)O1 2268341531 DZYYLNPDMYBKIT-SCZZXKLOSA-N 458.521 3.569 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268345783 OEOZYWBINVDHHH-ZDUSSCGKSA-N 458.521 3.571 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2268351318 WFGHLWOGIVTAMH-WPRPVWTQSA-N 458.521 3.569 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@H](OCCBr)C1 2283666234 YQQNEHFVQMZCTN-NSHDSACASA-N 472.548 3.961 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296848721 YDIJORGUJIVUFH-IRXDYDNUSA-N 498.992 3.608 50 10 JHGE C[C@H](CBr)CC1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338845285 OSMONXZPUHARRY-INIZCTEOSA-N 485.444 3.526 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@H](CBr)O1 2340057870 OPGUYHNMGSDCFG-SCZZXKLOSA-N 458.521 3.569 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(OC)c1O 9490004 MQQGOKPBQADKID-INIZCTEOSA-N 469.295 3.780 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1 14030152 AIQYJUIJHGTDNJ-UHFFFAOYSA-N 456.568 3.553 50 10 JHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14037099 NNUGZKPJZWCWNB-LBPRGKRZSA-N 470.378 3.885 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCN(C)CC2)cc1Cl 102854485 PJXBSVFDWVMCOW-RGEXLXHISA-N 461.953 3.882 50 10 JHGE CCOc1ccc(N([C@H](C)C(=O)NN=Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 252616129 JXKMHGBYFGITEJ-CYBMUJFWSA-N 458.367 3.697 50 10 JHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 254840138 DTIQXRNEDWCCRF-UHFFFAOYSA-N 489.528 3.583 50 10 JHGE COc1cc(OC)c([N+](=O)[O-])cc1C=NNC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 254873790 RUPJBMSLHVZYBG-FVTZTASISA-N 480.502 3.595 50 10 JHGE O=C(NNC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1cc(F)ccc1Br 728546174 OTZLZSBDRKHWAB-UHFFFAOYSA-N 477.359 3.876 50 10 JHGE CCN(CC)c1c(C=NNC(=O)c2cccc(N3CCCC3=O)c2)c(C)nn1-c1ccccc1 1084598613 ICEIXHCEGXBKJK-UHFFFAOYSA-N 458.566 3.918 50 10 JHGE COc1ccc(CCC(=O)NN=C2C(=O)N(C/C=C\c3ccccc3)c3ccccc32)c(O)c1 1084608480 KUFLQGQSMUZTFP-NLEBVIPVSA-N 455.514 3.914 50 10 JHGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)C2 1260514094 WEKZPMJOSPPATG-PHZGNYQRSA-N 459.406 3.790 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccccc3Cl)c(=O)c2c1-c1ccccc1 1860770118 UJRVVMNNUAQNCE-UHFFFAOYSA-N 452.923 3.548 50 10 JHGE COCc1ccc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)s1 1902478398 RCCWQBBMJSHHDK-KBPBESRZSA-N 453.342 3.834 50 10 JHGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(I)c(O)c1 2204561329 FOFZCBWUHRILKM-KYVBTAMFSA-N 450.114 3.679 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NC1CC(Br)C1 2221679069 DSDLTVCBZMZWCB-NRXISQOPSA-N 476.209 3.927 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2nscc2Br)C1 2227092193 MTAUOINKQPUZPT-QMMMGPOBSA-N 496.084 3.659 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C2(CCC2)C1 2279114114 AIKLJGYVLDXTBY-MRXNPFEDSA-N 459.406 3.649 50 10 JHGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 2313862580 WISVRESNQZPSEN-UHFFFAOYSA-N 460.924 3.812 50 10 JHGE O=S1(=O)CC[C@@H](C(CCl)(CCl)Cc2sccc2I)C1 2338749387 JHBRWMCDVXHWTI-SECBINFHSA-N 453.194 3.794 50 10 JHGE O=C(Cc1cccc(Br)c1)NCC(F)(F)C(F)(F)CI 2361678709 CWXUXBDOJHXBTG-UHFFFAOYSA-N 468.026 3.813 50 10 JHGE O=C(NNC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1)c1csc(N2CCOCC2)n1 12804352 QQQQQIAHYPRKQO-UHFFFAOYSA-N 467.334 3.621 50 10 JHGE CC(C)(C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 13988244 INJYRVNIKSJEBS-UHFFFAOYSA-N 458.150 3.937 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@H](C)Oc1ccccc1 14004706 NEHTXDCFVOEBKA-LBPRGKRZSA-N 486.160 3.514 50 10 JHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14662533 HARKLIXTXVBMAW-UHFFFAOYSA-N 492.153 3.621 50 10 JHGE Cc1sc2nc(CS[C@@H](C)C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)[nH]c(=O)c2c1C 17641279 PJWVAWCQTUKRKJ-AWEZNQCLSA-N 472.636 3.982 50 10 JHGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2Br)c(OC)c1 40879624 GHHCLWGRSUFGSK-LFIBNONCSA-N 473.323 3.875 50 10 JHGE COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC)c(COc3ccc([N+](=O)[O-])cc3)c2)c1 59120157 SZOOWWANIPZZDJ-AFUMVMLFSA-N 465.462 3.964 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/C(Cl)(Cl)Cl 59261635 JEUQROHUWTZSRJ-SSDVNMTOSA-N 461.806 3.949 50 10 JHGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727113341 HUAVJDCCSKPXEL-FQEVSTJZSA-N 459.518 3.715 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)nnn1-c1cccc2cnccc12 731165217 LXPZOJFZMJRBNN-UHFFFAOYSA-N 496.502 3.917 50 10 JHGE O=C(CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1)NNC(=O)C1CCC1 1083895548 REHSCEWDOXUDPI-UHFFFAOYSA-N 473.562 3.597 50 10 JHGE COc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)cc1O 1084322331 UXZLTEODRISBOI-UHFFFAOYSA-N 472.133 3.763 50 10 JHGE N#C/C(=C\c1ccccc1)C(=O)NC1=C(c2nc3ccccc3s2)C(=O)CN1C[C@@H]1CCCO1 1873711299 OBWQRMPWEOQXTE-BIRYMOPTSA-N 470.554 3.752 50 10 JHGE O=C(NCc1cc(CCl)no1)c1cc(I)ccc1Br 1925850215 XYYJKPYCKGLHKW-UHFFFAOYSA-N 455.477 3.711 50 10 JHGE O=[N+]([O-])c1cc(I)cc(I)c1CBr 2060225344 AITODQWBIRBHBE-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H]1[C@@H]2CBr 2086147490 NSMJPLWOAPCWTA-XXFPWJFMSA-N 484.957 3.909 50 10 JHGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1cccc(Br)c1Br 2101335088 QZZVYJMDNGXWTE-DTWKUNHWSA-N 455.972 3.741 50 10 JHGE CN(C[C@H](Br)C1CCCCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2111362501 CXFKOHWPCQOHPH-IBGZPJMESA-N 485.444 3.668 50 10 JHGE COC[C@]1([C@@H](Br)c2cc(I)cc3c2OCC3)CCCO1 2146841630 KRWRJBHWXDJVKO-GJZGRUSLSA-N 453.114 3.858 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CC12CC2 2162589461 QMZNLKCCHOOEPP-HNNXBMFYSA-N 459.406 3.792 50 10 JHGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1ccc(I)c(Cl)c1 2279411204 UTGMZOYOEFQURK-KOLCDFICSA-N 472.548 3.865 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2283662260 IYRKZQCSDNTYGG-TVYUQYBPSA-N 470.532 3.712 50 10 JHGE CC(C)(C)OC(=O)NCc1c(Cl)cccc1NS(=O)(=O)N1CCC(Br)CC1 2283922166 XOSCYRLHCUUSBS-UHFFFAOYSA-N 482.828 3.881 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2nccs2)ccc1OS(=O)(=O)c1ccc(C)cc1 2297382336 ILQMITSJNYIKJE-UHFFFAOYSA-N 455.517 3.774 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CBr)c1sccc1I 2314941582 ZMVNOVDTWUZNNP-UHFFFAOYSA-N 460.028 3.748 50 10 JHGE Clc1ccc(CN2CCN3C[C@@H](Br)C[C@H]3C2)cc1I 2337223574 OGZWJOYDXWVWQF-RYUDHWBXSA-N 455.565 3.598 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CCBr)C(C)(C)C 2338690910 MJTGUKUOMHZQLY-ZETCQYMHSA-N 460.008 3.875 50 10 JHGE O=S(=O)(NCCC12CC(I)(C1)C2)c1ccc(CBr)cc1 2381354919 OMXNQNSHPGISOP-UHFFFAOYSA-N 470.170 3.608 50 10 JHGE N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1cccc(Br)c1 1175506 OUEVTYUNRNGNJN-ATVHPVEESA-N 493.361 3.808 50 10 JHGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1 10295280 POYWCSQYNGKHMI-INIZCTEOSA-N 451.548 3.732 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=O)c1ccccc1OCCc1ccccc1 10509158 YMMJQJSBADAFBG-UHFFFAOYSA-N 469.335 3.911 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 12487118 DHQUSNMSBHUWNV-UHFFFAOYSA-N 482.334 3.791 50 10 JHGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 13976179 VKSJSSWDQXKLRL-UHFFFAOYSA-N 484.405 3.870 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)ccc1Br 13981412 ZCBQUANKLYFDSU-RMKNXTFCSA-N 482.787 3.525 50 10 JHGE CC(=O)NN/C(S)=N/C=C(\c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)cc1 48547430 QHVXBOYOQGNQEC-LICLKQGHSA-N 458.392 3.833 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC(=O)OC 58891972 AZGKQIZRJHVFIJ-FQOPDIHJSA-N 489.366 3.693 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(F)c(F)c1 59261941 PEJIYZOYGRTFMW-PBEVGHANSA-N 456.522 3.985 50 10 JHGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 59334189 CDZJKDFAQDMWGO-VIZOYTHASA-N 476.270 3.594 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](C)CBr)cc1Br 137032825 OIONKNBFEQSEIK-ZETCQYMHSA-N 464.017 3.829 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(N(C)C)cc1 252603475 FRZPBARHAULIOA-SFHVURJKSA-N 463.611 3.773 50 10 JHGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 254347450 DTAXFRCIYBKAAO-UHFFFAOYSA-N 489.528 3.502 50 10 JHGE CN(C)CN1C(=O)C(=NNC(=O)c2ccc(Cl)cc2Cl)c2cc(Br)ccc21 254623908 LOOMREUSUWFFML-UHFFFAOYSA-N 470.154 3.756 50 10 JHGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCCC(C)C 256028375 HZPGNFFKEYOCFB-UHFFFAOYSA-N 488.433 3.559 50 10 JHGE O=C(CBr)c1c(I)ccc(I)c1F 307049452 KPTBQTXVYGBVDJ-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE CC(C)(C(=O)NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1 731222336 QBYVVSVGGPCTFH-HXUWFJFHSA-N 454.958 3.806 50 10 JHGE CC(=NNC(=O)CCc1ccco1)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 748140813 UXMIWXARBSCZPL-JOCHJYFZSA-N 459.506 3.514 50 10 JHGE COC(=O)[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 818025828 IBVQSMRNTIUOER-WNPPMXKSSA-N 487.947 3.925 50 10 JHGE COc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1084011281 BEOUCIHHRUYLQI-UHFFFAOYSA-N 473.077 3.598 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC(=O)O 1084046575 CJIVUTQWNCPHRR-LJQANCHMSA-N 475.339 3.605 50 10 JHGE COc1ccc(OCC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 1084196027 PUUCIWGGGGEJCM-UHFFFAOYSA-N 455.898 3.983 50 10 JHGE O=C(NCCc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1084300252 YCMCVKCEYIVBME-UHFFFAOYSA-N 480.362 3.837 50 10 JHGE C#C[C@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1ccc(Cl)cc1F 1297713598 WITAYSZROFGQGV-IBGZPJMESA-N 450.901 3.940 50 10 JHGE C=CC(=O)Nc1ccc(C(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)cc1 1444083567 QICIAJBPXABNLN-UHFFFAOYSA-N 453.502 3.884 50 10 JHGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747268 VMMPZKARJGSJHA-VKAVYKQESA-N 477.414 3.715 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@H]2C[C@@H]2Br)cc1Br 1887909216 ZTSSWBZILBHOBI-SCZZXKLOSA-N 476.028 3.924 50 10 JHGE CN1C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 1904325870 CXDIVQXSOMSQOK-KOLCDFICSA-N 458.963 3.921 50 10 JHGE O=S(=O)(NC1CC([C@H](F)CBr)C1)c1cc(Cl)c(Br)s1 1906454169 VYNSVNVPGXHDPC-NPWHJSNTSA-N 455.596 3.954 50 10 JHGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CCN(Cc2ccccc2)CC1 2059388975 VKHIBJLFOXUWFH-UHFFFAOYSA-N 488.245 3.851 50 10 JHGE O=C(c1scc(Br)c1Br)N1CC(OCCCBr)C1 2085895621 JBNLPGPSOLRJRP-UHFFFAOYSA-N 462.001 3.899 50 10 JHGE O=C(NC[C@]1(CCl)CCCO1)c1ccc(Br)cc1I 2142282990 KLUHCPJPCKSCDW-CYBMUJFWSA-N 458.521 3.572 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCN2C[C@@H](Br)C[C@@H]2C1 2148751886 RSPYRMJQGBGOIJ-VHSXEESVSA-N 466.999 3.505 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164659925 SRRPUINATNYSSR-GAFUQQFSSA-N 450.114 3.775 50 10 JHGE O=C(c1ccc(I)cc1)N1CCC(COCCBr)CC1 2167402529 WUIDTNLDSIRUTJ-UHFFFAOYSA-N 452.130 3.555 50 10 JHGE O=C(N[C@H](CBr)[C@@H]1CC=CCC1)c1cc(I)ccc1O 2196158070 VNBVSPDSFJCTMA-ZWNOBZJWSA-N 450.114 3.846 50 10 JHGE O=C(N[C@H]1CC[C@@H]1CBr)c1ccc(Br)cc1I 2213305712 HQEUVLDXVFPQIL-HQJQHLMTSA-N 472.946 3.957 50 10 JHGE BrC[C@@H]1CO[C@@H]2CN(Cc3cccc(Br)c3Br)C[C@H]2O1 2279867405 OMUXBGGNBQTOAB-RAIGVLPGSA-N 469.999 3.575 50 10 JHGE O=C(NCC1(CBr)CC(F)(F)C1)c1ccc(I)c(O)c1 2281664312 XURNRRDXRNDJHL-UHFFFAOYSA-N 460.056 3.537 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NCC[C@H]1COC[C@H]1Br 2295311627 MZWCLENJCJZESA-GXFFZTMASA-N 469.999 3.670 50 10 JHGE CCc1ccc(-n2cc(COC[C@H](C)Br)nn2)cc1I 2295832797 IWDKWXJZAFNJKS-JTQLQIEISA-N 450.118 3.734 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCCOC(C)C)c(Oc3ccc(F)cc3)nc12 2296846546 VSFCDDNUPJNBAO-UHFFFAOYSA-N 464.497 3.773 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3ccccc3)cc2)c1 2313607169 GHLRCRHAMRBWCQ-UHFFFAOYSA-N 458.543 3.596 50 10 JHGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3n2C)cc([N+](=O)[O-])c1OCC 2322910790 DJVHBBUBNYPTBR-UHFFFAOYSA-N 457.512 3.521 50 10 JHGE C[C@H]1C[C@H](Br)[C@H](C)CN1C(=O)c1c(Br)c(Br)nn1C 2338679093 IRDZWZMTMNGJHM-CSMHCCOUSA-N 457.992 3.579 50 10 JHGE COCCO[C@@H]1[C@H](Cl)C[C@H]1Oc1cc(Br)cc(I)c1 2338888130 ZKXAMYSCYUCBOI-JHJVBQTASA-N 461.521 3.844 50 10 JHGE Clc1ccc(CC[C@@H](Br)CN2CCOCC2)c(I)c1 2341032558 NGFGIZFZBNAFTB-GFCCVEGCSA-N 458.565 3.973 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2364017129 GZZOGBANGDSCPO-HLTSFMKQSA-N 470.003 3.723 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c(OC)c1 3209646 XXDQIHWYXLDNEU-IRVJDQMQSA-N 480.502 3.595 50 10 JHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 9696108 GNUBLTXTSCPWQF-UHFFFAOYSA-N 498.402 3.925 50 10 JHGE COc1cc(/C=C(/C#N)c2ccccc2OC)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 31901962 DIDHQUXMRHPWIV-AQTBWJFISA-N 468.465 3.970 50 10 JHGE COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 35550868 DKOZGBFGWQYIJN-UHFFFAOYSA-N 458.268 3.523 50 10 JHGE COc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 101341420 VLESUUORSGECGB-DEDYPNTBSA-N 454.523 3.666 50 10 JHGE C=CCn1cc(C=NNC(=O)CSc2nnc(CNc3cccc4ccccc34)n2CC=C)cn1 1084080835 PTQHIECADNFMCI-UHFFFAOYSA-N 486.605 3.854 50 10 JHGE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)C(C)C 1538888965 KVCXVSNWJCNABZ-NRFANRHFSA-N 455.942 3.840 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(-n4cccc4)cc3)c(=O)c2c1-c1ccccc1 1860770097 SRVCMUMCAQKCKM-UHFFFAOYSA-N 483.553 3.685 50 10 JHGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865758496 CZKLIFGLMAXYBS-XMMPIXPASA-N 484.556 3.701 50 10 JHGE C[C@H](Br)[C@@H](C)NC(=O)c1ccc(Br)cc1I 1995285834 LIMPWFZUCSGZNU-NKWVEPMBSA-N 460.935 3.955 50 10 JHGE C[C@@H]1CN(c2ncc(I)cc2Br)C[C@@H](CCBr)O1 2069532857 XMSUTZIRKJSWPI-PSASIEDQSA-N 489.977 3.827 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(N)c(Cl)c(Cl)c1 2235886100 SAWAOXZESUJZOB-UHFFFAOYSA-N 476.473 3.760 50 10 JHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)C(=O)N[C@H]1CCS(=O)(=O)C1 2296729542 WWLHVOYEBQZQKR-DEOSSOPVSA-N 482.565 3.903 50 10 JHGE Clc1ccc(I)cc1CN1C[C@H]2COC[C@@H](C1)C2Br 2352425842 LPWIJYBAKMUGKW-BVUQATHDSA-N 456.549 3.786 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCl)[C@H]1CC=CCC1 2364213595 HVVUEFOSKGBLEY-PXNSSMCTSA-N 453.004 3.726 50 10 JHGE Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)c(Br)c1 14654242 ZXBMUZDEZUTTPU-UHFFFAOYSA-N 464.385 3.742 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668237 UAWATQDXUYFEIB-UHFFFAOYSA-N 463.372 3.914 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)[C@H](NC(=O)Cc2cccs2)C(C)C)o1 17150253 VBQHVAXUGGOHMS-IHQWOVMBSA-N 484.534 3.759 50 10 JHGE CC(C)n1cc(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cn1 20827412 ACQCGPJQGWFYOW-LGJNPRDNSA-N 474.594 3.899 50 10 JHGE O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3cc4c5c(cccc5c3)C(=O)OC4=O)ccc21 138825893 VFHVUQVPMYOLKJ-UHFFFAOYSA-N 483.457 3.727 50 10 JHGE O=C(NC1CC(CBr)C1)c1cc(Br)ccc1I 698904169 WJQYHPJITPBDIY-UHFFFAOYSA-N 472.946 3.957 50 10 JHGE Cc1c(Cl)cc(S(=O)(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 728854531 XIFHRUOCYATTHY-UHFFFAOYSA-N 483.127 3.596 50 10 JHGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 1084178104 NFLJZBRCTCLCIH-GOSISDBHSA-N 492.963 3.993 50 10 JHGE CC(=O)c1nc(NC(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)sc1C 1562831820 NPFXPZLERXMSHF-UHFFFAOYSA-N 454.537 3.829 50 10 JHGE CN(CC(=O)Nc1ccc(Br)cc1Br)C[C@@H]1C[C@@H]1Br 1887907476 GNDHCENOVOMAOL-WPRPVWTQSA-N 454.988 3.865 50 10 JHGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cnn(CCCCl)c1)Cc1ccccc1 1946828739 ZIIOTMZASFUYOZ-UHFFFAOYSA-N 461.031 3.835 50 10 JHGE O=C=Nc1cc(I)c(OC(F)(F)F)c(I)c1 2060034448 MZBMYZAIWCKLBW-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE CCN1CC[C@@H]([C@@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2089530584 HOKDJFOPUGSOSY-RYUDHWBXSA-N 478.577 3.758 50 10 JHGE O=C(N[C@@H](CBr)c1cscn1)c1ccc(F)cc1I 2119039341 NWFYENDYIUFMJP-JTQLQIEISA-N 455.090 3.753 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(I)c(O)c2)CC[C@H]1CCBr 2172474207 MTIKARRTDGFFKZ-WDEREUQCSA-N 452.130 3.880 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H](CCCl)O1 2179383408 MTBDSVPPYBYRNZ-ONGXEEELSA-N 472.548 3.912 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179866990 PCZXWBXYCVGOJE-UHFFFAOYSA-N 453.402 3.851 50 10 JHGE O=C(c1cc(I)ccc1F)N1CC[C@H](C(F)(F)CBr)C1 2197762328 HUHILNICKHPXTB-QMMMGPOBSA-N 462.047 3.923 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)Cc1ccccc1Br 2226097678 VNUXSZIWPOANBK-MFKMUULPSA-N 460.175 3.718 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@H]2CCCC[C@]2(CBr)C1 2230586427 IDVPGAZZRRPHJI-RNCFNFMXSA-N 455.159 3.775 50 10 JHGE Cc1ccc(C(=O)N2C[C@H](CCBr)O[C@H](C)C2)cc1I 2232837433 STPDOGLUZCZMES-YPMHNXCESA-N 452.130 3.614 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCOC(C)(C)[C@H]2CBr)c1 2282804768 CMXMIMLPFYDTQD-CYBMUJFWSA-N 452.130 3.614 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2I)C[C@H]1Br 2340054357 MBCXFPIAOQEHKI-HLUHBDAQSA-N 458.521 3.615 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)C2(CCCC2)C1 2364229432 YENGUBONGFAGCC-MRVPVSSYSA-N 470.003 3.725 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1 13978073 IIKABDPYWUAGGB-UHFFFAOYSA-N 482.762 3.664 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br 14770367 XIWSMVNVZCLNMZ-UHFFFAOYSA-N 472.133 3.694 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccccn1 40659092 WQONIDQOISPLRA-UHFFFAOYSA-N 453.768 3.953 50 10 JHGE N#C/C(C(=O)CN1C(=O)c2ccccc2[C@H]1O)=C1/NC(c2ccc(Br)cc2)=CS1 102757662 IGVXKXJBIYECFX-BQUCVHFLSA-N 468.332 3.535 50 10 JHGE COC[C@@H](Br)CCNC(=O)c1cc(Br)ccc1I 230136394 QNSUQYVXLMBLSB-VIFPVBQESA-N 490.961 3.584 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(O)cc1 252599917 DMQZRJSANWSBSI-QGZVFWFLSA-N 450.568 3.721 50 10 JHGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2C)c1C)S(C)(=O)=O 252621828 NHPWGXJJKNBOMM-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)Cc3cccs3)c2)cc(OC)c1OC 254396638 YSULBJFZCCFEDJ-UHFFFAOYSA-N 454.504 3.686 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2cc(Br)c(Br)s2)C1 386894642 YELCPPZHSHWBHU-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE O=C(Cl)c1cc(I)c(OC(F)(F)F)c(I)n1 396182058 PEXGRCXOAHDGIT-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 920850903 FNBIUWNKBZCXOL-OUTAMTTJSA-N 475.593 3.768 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2ccc(Cl)cc2Cl)nnc1-c1ccccc1O 1083894794 HJEAFGXQQSOGHF-UHFFFAOYSA-N 465.366 3.694 50 10 JHGE CC1=C(C(=O)NN=Cc2ccc3c(c2)OCO3)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084565361 VGJNTPABGXGTTN-SFHVURJKSA-N 463.346 3.665 50 10 JHGE COC(=O)c1c(NC(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)sc2c1CCCC2 1772752588 GENUWTMQTZIJGJ-UHFFFAOYSA-N 497.327 3.945 50 10 JHGE CCOC(=O)c1c(OC(F)(F)F)ncc(I)c1CBr 1848387766 UAPROFWDTXJANC-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4cccc(C(F)(F)F)c4)c(=O)c23)C1 1860770889 BDRAYEYPLPPMNA-NWDGAFQWSA-N 478.496 3.624 50 10 JHGE N#C/C(=C\c1ccccc1)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 1868026522 XCKLBXMXRPAACR-OOIVEFLKSA-N 451.935 3.973 50 10 JHGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc(OC)c1OCc1ccccc1 1873794441 JHWYFRALSSJXPP-MMDHUZEPSA-N 457.527 3.646 50 10 JHGE C[C@H](Br)[C@H](NC(=O)c1cccc(F)c1I)C(F)(F)F 1882674680 OCTXSSZFIHXAEU-CDUCUWFYSA-N 453.999 3.874 50 10 JHGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1Br 1984104510 FTOOWDWFOFKZHR-ZDUSSCGKSA-N 465.211 3.547 50 10 JHGE CC[C@H](C)[C@H](CI)NC(=O)c1cccc(I)c1 2023038750 ZPKINIZGNXRYNX-CABZTGNLSA-N 457.093 3.871 50 10 JHGE O=S1(=O)C[C@H]2C([C@H](Br)c3cc(Br)ccc3Br)[C@@H]2C1 2054230855 UMLJUTIWOFQQHL-KBVBSXBZSA-N 458.997 3.938 50 10 JHGE CN1CCC[C@H](n2nc(CBr)c(I)c2C(F)(F)F)C1 2079260891 QRJLBNYUTADAAR-ZETCQYMHSA-N 452.056 3.668 50 10 JHGE O=C(NC[C@H]1C[C@@H]1Br)Nc1c(Br)cc(Br)cc1C(=O)O 2196902416 BJIXJALNTUNHBC-XRGYYRRGSA-N 470.943 3.815 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC2(C3CCCCC3)COC2)C1 2250827650 DSFDKUPAIKUTRT-GJZGRUSLSA-N 451.345 3.775 50 10 JHGE O=C(NN=Cc1c[nH]c2ccccc12)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297620066 HFSBQLILBAGQFR-UHFFFAOYSA-N 453.458 3.997 50 10 JHGE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNC(=O)CSc1nc2ccccc2n1C 2318413489 IEVFDEJPURSWOG-UHFFFAOYSA-N 457.512 3.521 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)cc1Br 2209767 SENJTMBUQXEJFB-FQEVSTJZSA-N 479.334 3.589 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 14832302 GWOSQYLGIJFDFM-GFCCVEGCSA-N 450.289 3.711 50 10 JHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] 40659232 HTGLHGSNHCQIFP-UHFFFAOYSA-N 461.797 3.515 50 10 JHGE COC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 40812797 OETKNKHCELFETQ-UPOKKJMKSA-N 462.344 3.586 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)c2ccc(Br)cc2)c1C 59148698 MVGOPNXXXLMNLZ-SSDVNMTOSA-N 472.299 3.932 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccncc1 59475524 WLOCEIIAIMSCAU-VSRRSJTHSA-N 455.975 3.756 50 10 JHGE O=S(=O)(NC[C@@H](Br)C1CC1)c1cc(Br)ccc1Br 136654580 PEXSGWBBNVJVQR-SNVBAGLBSA-N 462.001 3.663 50 10 JHGE NN(C(=O)[C@@H](c1cccnc1)N1CCN2CCC[C@@H]2C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 168929052 UHKVIJGYKUHSJC-IEBWSBKVSA-N 487.448 3.847 50 10 JHGE O=C(Oc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1)c1ccc(F)cc1 169923316 GGJJYAIDPHAFMB-JFLMPSFJSA-N 456.433 3.971 50 10 JHGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\Nc2ccc(I)cc2)cc1 217105330 SRDMWONQSJBDDO-OWBHPGMISA-N 461.259 3.926 50 10 JHGE CN(CCCBr)C(=O)c1cc(I)ccc1Br 232020323 QVSLOBLZDAUNCX-UHFFFAOYSA-N 460.935 3.911 50 10 JHGE CC(=O)Nc1ccc(C(C)=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 252588655 ADDCDUIJVWPWGF-UHFFFAOYSA-N 492.601 3.998 50 10 JHGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 254626995 MDTJLNZFEWFFSO-UHFFFAOYSA-N 451.351 3.967 50 10 JHGE COc1cc(I)cc(I)c1CBr 306853851 UQESEECMHVPLNC-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE O=C(NCCCI)c1ccc(I)c(Br)c1 721570864 BROHIUWCVBVBRE-UHFFFAOYSA-N 493.908 3.609 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(-c2ccccc2)n1 725724574 BHNATVBRSAJWAS-CJLVFECKSA-N 479.519 3.730 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)O[C@@H](C)c2c(F)cccc2F)cc1 918948930 FEAVHUQHROWIEI-ZKMNFCBKSA-N 480.471 3.924 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)cc1 1476341680 ZAEIHGZDPCGDKP-OAHLLOKOSA-N 455.902 3.657 50 10 JHGE CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1587069204 BKJXDJLOKBYIJW-FQEVSTJZSA-N 455.624 3.751 50 10 JHGE CC(C)C[C@H](C(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)N1C(=O)c2ccccc2C1=O 1858081880 MXJWXSZJYHHZLQ-HXUWFJFHSA-N 494.548 3.506 50 10 JHGE O=C(NCC1CCC(CBr)CC1)c1cc(I)ccc1O 1922688839 BFCOFPKOKFLDMT-UHFFFAOYSA-N 452.130 3.928 50 10 JHGE O=C(N[C@H](CBr)C1CC1)c1ccc(I)c(Br)c1 1945356576 VZFPGQYVPLWZMC-LLVKDONJSA-N 472.946 3.957 50 10 JHGE CCN(CC)[C@@H](C)COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2007012968 VTRUPMCJPIYGAM-HNNXBMFYSA-N 454.393 3.938 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)cnc1F 2061262842 VBAICOTWHUSVGW-UHFFFAOYSA-N 454.387 3.619 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(I)ccc1O 2061267249 ABHUCEIOWBQLKN-UHFFFAOYSA-N 498.408 3.633 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2[C@H](CBr)[C@@H]2C1 2061576362 HKBGMTQAPBIDJN-JGPRNRPPSA-N 484.957 3.767 50 10 JHGE CSCC[C@H](Br)CCNC(=O)c1ccc(I)c(O)c1 2090385327 PKBYLZFFVXKERZ-SNVBAGLBSA-N 458.159 3.633 50 10 JHGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1c(Br)cccc1Br 2111328603 NGJSAKORILOBCY-KCJUWKMLSA-N 455.972 3.741 50 10 JHGE Cc1cccc(C(=O)N2CCC[C@@H](OCCBr)C2)c1I 2170212574 ATGWDXICSHUOER-GFCCVEGCSA-N 452.130 3.616 50 10 JHGE O=S(=O)(c1ccc(OCCBr)cc1)N(Cc1ccccc1)C[C@H]1CCCO1 2179859316 BVGSCOAKLPFCFB-LJQANCHMSA-N 454.386 3.830 50 10 JHGE C[C@@H](Cl)C[C@H]1COCCN1C(=O)c1cc(I)ccc1Br 2185317948 IDVHKHFUOSWHTD-KOLCDFICSA-N 472.548 3.912 50 10 JHGE Cc1cc(C(=O)N2C[C@H](C)O[C@@H](CCBr)C2)ccc1I 2207110439 HFHLJXICOHBILY-AAEUAGOBSA-N 452.130 3.614 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NC1CC(Br)C1 2221684998 ZCTDOIIMONDRSA-YMAMQOFZSA-N 476.209 3.927 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1 2268641566 BXFUGVODVLNKFL-QLXKLKPCSA-N 486.377 3.567 50 10 JHGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 2296542757 KQVSGRCLFMIYTF-NRFANRHFSA-N 458.518 3.560 50 10 JHGE CC(C)(CI)CN1C[C@H](NC(=O)OC(C)(C)C)CCC12CCOCC2 2326670546 WCOWARKYCJZMTH-OAHLLOKOSA-N 466.404 3.986 50 10 JHGE C[C@H]1C[C@@H](Br)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338840470 NDDYBNTYFXJCAL-IRXDYDNUSA-N 485.444 3.668 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(C#N)cc1 12482980 GMFMGJOOKWAKRU-ZVBGSRNCSA-N 451.118 3.921 50 10 JHGE Cc1ccc(-c2csc3ncn(CCC(=O)NNC(=O)c4cn(C)c5ccccc45)c(=O)c23)cc1 16235610 LLTFFPNLRDBPFV-UHFFFAOYSA-N 485.569 3.776 50 10 JHGE C[C@H]1C[C@H](C)CN(C(=O)CCC(=O)NNc2nc3ccccc3c3nc(-c4ccccc4)nn23)C1 20286943 LMUROYBVEVGDNY-ROUUACIJSA-N 471.565 3.672 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 20923040 MYJJUXGAJHHATC-UHFFFAOYSA-N 470.986 3.591 50 10 JHGE Cn1c(-c2ccccc2)c(C=NNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c2ccccc21 254404347 GTIIYPIGYGKDNN-UHFFFAOYSA-N 490.527 3.978 50 10 JHGE CCOc1cc(C=NNC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254625763 XWNVWQBNQAIJFN-UHFFFAOYSA-N 479.493 3.997 50 10 JHGE Cc1c(C=NNC(=O)CNc2ccccc2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 254912417 VYJZYPMTUOMISJ-UHFFFAOYSA-N 455.474 3.949 50 10 JHGE C[C@@H](Br)C(=O)c1ccc(I)cc1I 306720468 NMMSPXNHOGVLHX-RXMQYKEDSA-N 464.866 3.862 50 10 JHGE COc1ccc(-c2nnc(COC(=O)/C(C#N)=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)o2)cc1 760036662 IBTISAAQQUEASI-AFHVAHMMSA-N 462.506 3.993 50 10 JHGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 1084536085 KFKUEBTXCANCDE-UHFFFAOYSA-N 472.364 3.795 50 10 JHGE C#CC[C@@]1(C(=O)NNc2cc(OC)ccc2Br)CCCN1C(=O)OC(C)(C)C 1557047948 LRJBHEVRFWUMNV-FQEVSTJZSA-N 452.349 3.694 50 10 JHGE C/C(=C/c1ccc(Br)o1)C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C 1641592805 IMXRNOIOMREWIC-SEYXRHQNSA-N 458.353 3.678 50 10 JHGE CC(C)Oc1cccc(/C=C/C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 1860771456 XDZSJBOCIVFELR-VAWYXSNFSA-N 488.569 3.773 50 10 JHGE COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc(Cl)c1OC 1873794868 FQVFZNRQYBHBGH-MJDKSPQASA-N 461.946 3.943 50 10 JHGE O=C(N[C@H]1C[C@H]1CBr)c1cc(Br)ccc1I 1894167829 BMMCLPNOFSISTL-WKEGUHRASA-N 458.919 3.567 50 10 JHGE CCCn1ncc(Br)c1C[C@@H](Br)CN1C(=O)c2ccccc2C1=O 1905342639 KEXSBYZACYIKHQ-LLVKDONJSA-N 455.150 3.658 50 10 JHGE O=S(=O)(NC[C@H](Br)CBr)c1cc(Cl)c(Br)s1 1981561804 GLNTYALDQYZOMV-SCSAIBSYSA-N 476.437 3.601 50 10 JHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C#N)CC1 2010277655 XJEVZCNHKWHWEK-KOSHJBKYSA-N 461.562 3.817 50 10 JHGE CN1CC[C@@H]([C@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2031486950 ZXRYVOYELMKNPH-GXSJLCMTSA-N 462.001 3.682 50 10 JHGE O=[N+]([O-])c1c(I)ccc(CBr)c1I 2060235207 GSGXPTDOHOVUBU-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE O=C(c1csc(Br)c1Br)N1CCCN(CCBr)CC1 2093946979 MUMYCNUWGNQMDS-UHFFFAOYSA-N 475.044 3.816 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2cc(Br)cc(Br)c2)C1 2109023464 KRGBHVJZLUQWFD-RYUDHWBXSA-N 455.972 3.836 50 10 JHGE C[C@H](Cl)[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CCO1 2117517701 RZOSKMVTPCBTND-QPUJVOFHSA-N 458.521 3.522 50 10 JHGE CCN1CCC[C@@H]([C@H](Br)c2cccc(F)c2I)S1(=O)=O 2145777334 YUCLJVSTOMSMET-NWDGAFQWSA-N 476.149 3.680 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CC2(CC2)C1 2162588351 FAUXSJXRQGZSOZ-OAHLLOKOSA-N 459.406 3.649 50 10 JHGE C[C@H]1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CCN(C(=O)OC(C)(C)C)C1 2162588476 GKPDHYRDNLTNOV-GOEBONIOSA-N 461.422 3.895 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCC[C@H](OCCCl)C1 2170213104 GIDIFOZJJTWJIL-NSHDSACASA-N 472.548 3.914 50 10 JHGE CC1(C)OCCO[C@@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 2186764347 HKTVGUXWUIHQFL-GXTWGEPZSA-N 453.114 3.856 50 10 JHGE O=C(Cc1ccccc1I)N1CC[C@@H](C(F)(F)CBr)C1 2197769283 WDJOVJOLSSUPGE-LLVKDONJSA-N 458.084 3.712 50 10 JHGE F[C@H]1C[C@H](Br)CN(c2ncc(I)cc2Br)C1 2210715373 SRDDEBKNBKAQNG-BQBZGAKWSA-N 463.914 3.760 50 10 JHGE O=C1[C@@H](Br)CCCN1c1ccc(Br)cc1I 2212574242 KNGRKESCKRPUBR-QMMMGPOBSA-N 458.919 3.944 50 10 JHGE CN(CCOCCBr)Cc1ccc(I)c(Br)c1 2306232361 SXSZWRXAXXXGLW-UHFFFAOYSA-N 476.978 3.897 50 10 JHGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=CNc1ccc(I)cc1 2325225533 VISRGMPQFFREQC-UHFFFAOYSA-N 464.219 3.666 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)CCC12CCC2 2364207221 ZDWTYQJKGLQGOK-QGZVFWFLSA-N 497.455 3.955 50 10 JHGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC 14654200 MXEVHCVNOCNCJK-UHFFFAOYSA-N 494.411 3.976 50 10 JHGE Cc1cc2c(c(=O)n1Cc1ccccc1)[C@]1(C(=O)N(CC(C)C)c3ccccc31)C(C#N)=C(N)O2 39918688 LODGRBGMCMLVOF-MUUNZHRXSA-N 466.541 3.580 50 10 JHGE CCn1c(SCC(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)nc2ccccc21 50860335 ACMZZCAAFKBLSH-FBHDLOMBSA-N 463.357 3.775 50 10 JHGE COc1ccccc1NCC(=O)NNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 71887610 LKJVLOQLLCULKI-UHFFFAOYSA-N 473.455 3.650 50 10 JHGE CCOc1cc(/C=N\NC(=O)CSc2nc3ccccc3n2C)cc([N+](=O)[O-])c1OCC 169876360 DJVHBBUBNYPTBR-UUYOSTAYSA-N 457.512 3.521 50 10 JHGE CCOc1ccc(N/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c([N+](=O)[O-])c1 209900795 VXPBLECWMOUDDW-QNGOZBTKSA-N 476.489 3.749 50 10 JHGE O=C(NN=C/C=C\c1cccc([N+](=O)[O-])c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254508948 CYNKMMBMMLPNOE-SIPZSEASSA-N 484.468 3.910 50 10 JHGE COC(=O)[C@H](Br)C1(Oc2ccc(OC)c(I)c2)CCC1 712918995 IJHJYAOZBWSNKY-LBPRGKRZSA-N 455.086 3.538 50 10 JHGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc2ccccc12 1084096943 SHRWXXXQRDSGOD-UHFFFAOYSA-N 467.953 3.863 50 10 JHGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)cc1OC 1084574470 HSLLJGYLQHUKEW-UHFFFAOYSA-N 490.604 3.927 50 10 JHGE COc1ccccc1NCC(=O)NNC(=O)c1ccc(-c2cccc(Br)c2)nc1C 1087022627 HPDTZPIKTXBELS-UHFFFAOYSA-N 469.339 3.701 50 10 JHGE CC(=O)N/C(=C/c1cccs1)C(=O)NNc1c(Br)cccc1Br 1467491978 DEFYVQVTKPFPPH-MDWZMJQESA-N 459.163 3.893 50 10 JHGE C/C(=C\C(=O)NNC(=O)COc1ccc(Br)cc1)c1ccccc1OC(F)F 1587666292 OYHPJZNRQFKQGM-ZRDIBKRKSA-N 455.255 3.680 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1ccc(CBr)s1)C2 2123240973 CRTZBPKGQLQBCY-QFBILLFUSA-N 455.443 3.786 50 10 JHGE O=S(=O)(c1ccsc1CBr)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2123286229 KJTMLEBYVHTPBV-IRXDYDNUSA-N 455.443 3.786 50 10 JHGE Cc1cccc(C(=O)N2CCC[C@H](OCCBr)C2)c1I 2170212575 ATGWDXICSHUOER-LBPRGKRZSA-N 452.130 3.616 50 10 JHGE CC[C@@]1(CCl)COCCN1C(=O)c1ccc(Br)cc1I 2207273243 SKTPUBLTARVMCC-CQSZACIVSA-N 472.548 3.914 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2COC[C@@]2(CBr)C1 2234565761 IHQBAVPANVXXOJ-YMTOWFKASA-N 467.983 3.695 50 10 JHGE BrC[C@@H]1CC[C@@H]2CN(c3ncc(Br)cc3Br)C[C@@H]2O1 2273542422 WKYOYFUWPJVCIM-QRTLGDNMSA-N 454.988 3.985 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295313910 QSQLFBVTVRQTFQ-CHWSQXEVSA-N 469.999 3.765 50 10 JHGE COc1ccc([C@H](Br)c2cnn(C)c2I)c(OC)c1C 2295418167 COJMKIYBSZPHQW-LBPRGKRZSA-N 451.102 3.835 50 10 JHGE C=CCNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(OCC)c(OC)c3)cc2oc1=O 2314751203 WJIZTONJEIOMSE-UHFFFAOYSA-N 474.469 3.629 50 10 JHGE CC(C)(C)[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823022 WWZZTPHFPJBYFL-KRWDZBQOSA-N 473.433 3.572 50 10 JHGE Cc1csc2nc(Cl)c(C=NNC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CCCC5)n12 2318792689 KCYFXYDDMKOCOY-LLVKDONJSA-N 474.999 3.719 50 10 JHGE CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc3ncccn3)c2C)cc1 10810549 BXBXITWMKHWTDN-SQVRNEIYSA-N 459.506 3.760 50 10 JHGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 38650141 DIFDWXTZWAMIOW-XMMPIXPASA-N 473.441 3.806 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384965 IXBLMWQZEDGMAC-NUYDQDRBSA-N 464.334 3.845 50 10 JHGE COc1ccc(Br)cc1/C=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 59937547 FHASVISTYMOWPZ-NUGSKGIGSA-N 455.234 3.977 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 96840515 KJCLGWIHCDIGRL-JAORQVBISA-N 451.479 3.775 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H](CBr)O1 232350886 OOSOIOWKTLUMLE-WCBMZHEXSA-N 458.521 3.569 50 10 JHGE CCn1c(SCC(=O)NN=Cc2cccc(OC)c2)nnc1-c1ccc(Br)cc1 252591187 AYSNWORNSIYHJK-UHFFFAOYSA-N 474.384 3.979 50 10 JHGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1 254582706 ZVRJIBRFRCMNMR-LEMYBVAPSA-N 460.402 3.886 50 10 JHGE Nc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1O 382701241 OOVFXDCDJHYJQG-HOTGVXAUSA-N 452.292 3.762 50 10 JHGE O=C(Cl)c1cc(I)c(I)nc1OC(F)(F)F 396175832 ALWDTJFOAKPWRL-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE CC1CCC(CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 703966217 DIGFZIPLGUYXQR-UHFFFAOYSA-N 485.444 3.572 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NC2CCN(CC(F)(F)F)CC2)c(-c2ccccc2)n1 742448618 HLIJXSUCSQBGRS-AQTBWJFISA-N 456.472 3.514 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c(C)n1-c1ccc(F)cc1 918650946 GAOPEJYJDFYBSR-XDHOZWIPSA-N 478.553 3.869 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)O[C@@H](C)c2cccc(F)c2)cc1 918948860 DMWQLCHBSPSCKD-JJBLJPBOSA-N 462.481 3.785 50 10 JHGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1F 1084434269 UCNVRWGEWWZIDN-UHFFFAOYSA-N 476.961 3.803 50 10 JHGE CCOC(=O)c1cnc(OC(F)(F)F)c(CBr)c1I 1848387608 HKESNGLCKBYKAM-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE O=C(CCC(=O)c1ccc(Cl)cc1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860770037 QEVDXJHXUZXCPT-UHFFFAOYSA-N 494.960 3.589 50 10 JHGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865695730 RZDIQPWEFMEUDF-KRWDZBQOSA-N 457.412 3.912 50 10 JHGE CCOc1cc(OCC)cc(C(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)c1 1865759242 PPZLYBWTZVRMNL-UHFFFAOYSA-N 479.533 3.946 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCc4ccccc4C)c(=O)c23)cc1 1865845101 IJRVYTIJNTZBMU-UHFFFAOYSA-N 460.559 3.522 50 10 JHGE CC(C)(CBr)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1954682529 QXJZGADEFYEHPO-UHFFFAOYSA-N 452.434 3.759 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@H](CBr)C1 2026218026 OKZFBZWOKMYMNV-MRVPVSSYSA-N 472.946 3.911 50 10 JHGE O=C(c1sccc1I)N1CC[C@H](CBr)C(F)(F)C1 2029709250 TZHRQPUYMJTLDK-SSDOTTSWSA-N 450.086 3.845 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CCO[C@@H](CCBr)C1 2052688713 POFJVWUSQWVBEP-ZETCQYMHSA-N 462.001 3.899 50 10 JHGE C=CC[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2075328262 FIXSGDZDZNCFJZ-VIFPVBQESA-N 462.001 3.830 50 10 JHGE CC(C)(C)[C@@]1(CBr)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2104633162 HJKJLHPAJIAVQA-OAQYLSRUSA-N 485.444 3.526 50 10 JHGE Clc1ccc(I)c(CN2C[C@@H]3[C@H](CBr)CO[C@H]3C2)c1 2121589169 WBMSQEUBNMJCNR-QKCSRTOESA-N 456.549 3.786 50 10 JHGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(S(=O)(=O)N2CC(OCc3ccccc3)C2)C1 2165001320 YHBBGGAKIUJNDP-QZTJIDSGSA-N 459.450 3.511 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H](CCBr)O1 2179380536 HMHCHOKJFIEYSE-HTQZYQBOSA-N 467.632 3.727 50 10 JHGE CN1CC(C)(C)[C@H]1CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2298944919 HUHKMSWAFKVAKO-RDTXWAMCSA-N 452.377 3.548 50 10 JHGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1 2314760589 OOGPENKWASJNRR-UHFFFAOYSA-N 460.486 3.919 50 10 JHGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3ccc(OC(=O)c4ccc(F)cc4)cc3)ccc12 2328804114 MAGOKFNUCJZVKQ-UHFFFAOYSA-N 474.444 3.989 50 10 JHGE C[C@H](Br)CN(C(=O)c1c(Br)c(Br)nn1C)C1CCC1 2338671229 VTKKYYQPZWPDCV-ZETCQYMHSA-N 457.992 3.723 50 10 JHGE CC(C)C[C@H](CBr)CN=[S@@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2353831353 RUMDCOTWSUHYQE-AKJBCIBTSA-N 454.475 3.999 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(O)c(Br)c1 2361667444 OAHCVYVDJXQVMO-UHFFFAOYSA-N 469.998 3.590 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)c(C)c1 14654996 OFDZRWABPDHACS-UHFFFAOYSA-N 486.160 3.759 50 10 JHGE O=C(NC(/N=C1\NC[C@@H](CBr)S1)(C(F)(F)F)C(F)(F)F)c1ccccc1 20509090 JGXAVOPZLVLUIZ-SECBINFHSA-N 464.229 3.693 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 40870079 BWKPLKXLOYIPBC-KGENOOAVSA-N 472.497 3.912 50 10 JHGE COc1ccccc1NC(=O)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 48572213 FJNZPKUPWLYLAI-JFLMPSFJSA-N 457.465 3.776 50 10 JHGE O=C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)NNC(=O)C1CCC1 59844913 WESHWWBNWKJLHN-UHFFFAOYSA-N 486.395 3.736 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 97654781 RWLKUWQCRGVBJN-SXGWCWSVSA-N 494.426 3.767 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H](CBr)C1 125939401 DLYWOVUXUIPCHB-QMMMGPOBSA-N 462.001 3.617 50 10 JHGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3cccc(C)c3)c3ccccc23)C1 263630858 NELKZWYQMGLVPR-NRFANRHFSA-N 466.607 3.510 50 10 JHGE C[C@H](Cl)c1cn(-c2cc(I)cc(I)c2)nn1 690364953 SEGRQJINDZFJHA-LURJTMIESA-N 459.456 3.776 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c(C)n1C1CCCCC1 887561310 FLDXVYPJSSCQJW-HAKPAVFJSA-N 468.476 3.837 50 10 JHGE C[C@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc2C1 914507427 GYUBNZVPSWQTED-NSRYLYFRSA-N 464.573 3.934 50 10 JHGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2F)cc1 1084120439 BCQBKBUPBLHXFJ-UHFFFAOYSA-N 453.539 3.518 50 10 JHGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 1084274088 RSYICFCUARIYRP-UHFFFAOYSA-N 476.533 3.758 50 10 JHGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 1084619303 NSGKPWGIZYUWMX-FQEVSTJZSA-N 489.366 3.832 50 10 JHGE CC(=O)N/C(=C\c1cccs1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1538622592 NAJUAZCODQPVJX-WJDWOHSUSA-N 456.351 3.539 50 10 JHGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852391 UTQVOUCMRDMNIJ-IXDOHACOSA-N 496.633 3.882 50 10 JHGE C[C@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866630651 VLRVIMNDAHARJR-AWEZNQCLSA-N 493.010 3.600 50 10 JHGE C[C@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866902363 HQNCERIAHXEVNZ-SFHVURJKSA-N 493.633 3.711 50 10 JHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)C(F)(F)F 1923419562 LLJYTKDIILGGMT-LJQANCHMSA-N 463.456 3.650 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CC1(CBr)CCC1 1955957348 XUCSNDQMPFMLTE-UHFFFAOYSA-N 464.445 3.903 50 10 JHGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)[C@H](Br)C2CCCC2)C1 1979584337 GFPXRXLOQZAYGW-LJQANCHMSA-N 481.431 3.951 50 10 JHGE CC(C)(C)C[C@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213630 WOOGEUGFYKGBJC-OAHLLOKOSA-N 473.433 3.572 50 10 JHGE C[C@@H](CBr)N1CCN(Cc2cc(Cl)ccc2I)CC1 2113063058 ZEWWTIYJKMAHLJ-NSHDSACASA-N 457.581 3.846 50 10 JHGE O=C(c1ccc(F)cc1I)N1CC[C@H](CBr)C(F)(F)C1 2146375319 LRIVZNTUALHXQG-MRVPVSSYSA-N 462.047 3.923 50 10 JHGE C[C@@]1(NS(=O)(=O)c2ccc(CCCl)cc2)CCCN(C(=O)OCc2ccccc2)C1 2162588758 JOFSBOXHAMKOIW-JOCHJYFZSA-N 450.988 3.938 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H](CCBr)O1 2179375972 RKDGDDRKWLODLM-ONGXEEELSA-N 472.548 3.959 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(CBr)c1 2179788746 GZHKZEJBAFPNCU-UHFFFAOYSA-N 456.402 3.577 50 10 JHGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1CCCN(Cc2ccccc2)CC1 2179858616 QSQAWILBEKDDJZ-UHFFFAOYSA-N 455.393 3.926 50 10 JHGE COc1cc(CBr)ccc1S(=O)(=O)N(C)[C@@H]1CC[C@@H]1OCc1ccccc1 2179859066 XVZMMQPGCQUYNE-MSOLQXFVSA-N 454.386 3.958 50 10 JHGE Cc1ccc(I)c(C(=O)N2C[C@H](CBr)OC(C)(C)C2)c1 2240924509 UJZSMNSOCDXGGB-NSHDSACASA-N 452.130 3.614 50 10 JHGE C[C@@H]1CC[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2322964488 BBHKLDUQLSSOQF-VFNWGFHPSA-N 493.692 3.725 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(c2ccc(F)cc2)CC1 2325307095 TZYOOULHBAJNNK-UHFFFAOYSA-N 450.514 3.951 50 10 JHGE COCCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1cc(Br)cc(I)c1 2338888131 ZKXAMYSCYUCBOI-RWMBFGLXSA-N 461.521 3.844 50 10 JHGE COc1ccc(/C=N/NC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c(OC)c1 3017739 INLMVGMRUCTSLK-PCAACMKTSA-N 489.528 3.642 50 10 JHGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1OC 12493386 FDRJDUGOMULJSM-RIYZIHGNSA-N 459.502 3.739 50 10 JHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 14039098 DLNBJBYNFJKIMM-UHFFFAOYSA-N 463.559 3.855 50 10 JHGE CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1 27496498 DWLBZRFIMDDXAX-GDWJVWIDSA-N 468.557 3.781 50 10 JHGE COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1 34798682 RUKYMMWOEVAVDK-HMMYKYKNSA-N 499.614 3.624 50 10 JHGE CC(C)[C@H](CI)NC(=O)c1ccc(F)cc1I 232732925 HJTIAIRBVODOCG-NSHDSACASA-N 461.056 3.620 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2cccs2)S(=O)(=O)c2ccccc2)cc1Cl 254352075 RIWJPGCUYFIFQD-UHFFFAOYSA-N 463.968 3.756 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1 254924532 NUWMLOFIWVQCCJ-UHFFFAOYSA-N 487.585 3.703 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)CCOCc2ccccc2)C1 309848738 ZIGQNSPZGNSSJX-HNNXBMFYSA-N 454.224 3.804 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCl)CCCCCCC1 713470053 OKAJJHNEQOHTAW-UHFFFAOYSA-N 455.020 3.950 50 10 JHGE CN1C(=C(C#N)C(=O)COC(=O)C2CCN(c3nc4ccccc4s3)CC2)N(C)c2ccccc21 727533754 LIYDJILYAWPMBW-UHFFFAOYSA-N 487.585 3.946 50 10 JHGE C=CCn1cc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2CC=C)cn1 1083870654 ZNYMMMPRSKQVHU-INIZCTEOSA-N 485.017 3.743 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(O)c(OCC)c2)cc1)S(=O)(=O)c1ccccc1 1084047330 FJAFNRKQHKBNGC-UHFFFAOYSA-N 479.558 3.936 50 10 JHGE CC(=O)[C@@H]1CC(C(=O)NNC(=O)c2sc3cc(F)ccc3c2Cl)=NN1c1ccccc1 1638154053 VYAZMZJJINHYHE-INIZCTEOSA-N 458.902 3.679 50 10 JHGE CCOC(=O)Cc1c(OC(F)(F)F)cnc(I)c1CBr 1848387734 QYQKPDWEKAWDKM-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE N#CSc1ccc(NC(=O)Oc2ccc(CNC(=O)CN3C(=O)c4ccccc4C3=O)cc2)cc1 1858900170 IKJSWCGIFRFHTH-UHFFFAOYSA-N 486.509 3.783 50 10 JHGE CCCOc1c(OC)cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc1OC 1873794697 VSFZTCBOHZCXOS-PDRAEELSSA-N 451.564 3.882 50 10 JHGE CCN(Cc1cccc(NS(=O)(=O)CI)c1)C(=O)OC(C)(C)C 1983327437 MOBGHRIDXROEHF-UHFFFAOYSA-N 454.330 3.578 50 10 JHGE COC(=O)c1c(I)cc(I)cc1CBr 2055333690 HXVXDDSHFJUABG-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2CC(NS(=O)(=O)c3ccc(CBr)cc3)C[C@@H]2C1 2162586643 KXMFOVLOZYMPLR-HUUCEWRRSA-N 459.406 3.505 50 10 JHGE CN(Cc1ccc(NS(=O)(=O)N2CCC(Br)CC2)cc1)C(=O)OC(C)(C)C 2162591126 IDXGRAHFQHWWIO-UHFFFAOYSA-N 462.410 3.570 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@H]1CCNC(=O)OC(C)(C)C 2163053449 NOWVTXJDYSEEEZ-GOEBONIOSA-N 461.422 3.753 50 10 JHGE C[C@]12CSC[C@@H]1CN(S(=O)(=O)c1cc(CBr)sc1Br)C2 2179775718 NOOZWUWDSWBMMC-UFBFGSQYSA-N 461.266 3.779 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2ccc(CCCBr)cc2)CCN1Cc1ccccc1 2179859060 XTCKQFAQPGGXLS-GOSISDBHSA-N 451.430 3.909 50 10 JHGE C[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)c1nnc(CBr)s1 2192613151 JXIPIWCILFOWMB-SCSAIBSYSA-N 481.644 3.950 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[C@H]1Br 2221688872 OTIAKLPXEFFCHM-NWANDNLSSA-N 476.209 3.785 50 10 JHGE CCCN1CC[C@H]([C@@H](Br)c2ccc(C)c(I)c2)S1(=O)=O 2232825984 JSPIASXCXYCPHJ-KGLIPLIRSA-N 472.186 3.850 50 10 JHGE O=C(NC[C@@]1(CBr)CCCO1)c1ccc(Cl)c(I)c1 2268352731 QIZSALXPMRJQPR-ZDUSSCGKSA-N 458.521 3.619 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2279520573 IEEFRVZLJZUYFH-FCEWJHQRSA-N 497.455 3.667 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2313540998 IQVWDELPSHNMFD-UHFFFAOYSA-N 479.470 3.917 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCCC[C@]1(C)CBr 2338860950 OQSAMIUFQJWHQT-GFCCVEGCSA-N 457.992 3.725 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NCc1ccc(CBr)cc1 2364031352 IXZLCOKUYNKZKL-UHFFFAOYSA-N 465.971 3.770 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCCC[C@H]1CCl 2364216423 OABKQKUPOJDNPJ-ROUUACIJSA-N 455.020 3.808 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2CCO[C@]2(CBr)C1 2365590226 DQEABSGPLJIKDP-YMTOWFKASA-N 470.532 3.571 50 10 JHGE O=C(NNC(=O)c1ccccc1I)c1ccc(OCCc2ccccc2)cc1 14041563 RHNDJPGMGMCDQJ-UHFFFAOYSA-N 486.309 3.988 50 10 JHGE CCCCOc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 20449283 OXPZZLMOXWPMDE-WMMPRDMWSA-N 482.606 3.921 50 10 JHGE O=Cc1cc([N+](=O)[O-])ccc1OC(=O)COc1ccc(Br)cc1Br 100131409 YGJGUYDVUKPXLY-UHFFFAOYSA-N 459.046 3.917 50 10 JHGE C[C@H](CBr)CNC(=O)c1cc(Br)ccc1I 235398946 IDTYBUKTPDPGDC-SSDOTTSWSA-N 460.935 3.815 50 10 JHGE Nc1ccccc1C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 254633779 QCOBLMTWVSPLLT-UHFFFAOYSA-N 463.335 3.755 50 10 JHGE COC[C@H](Br)CN(C)C(=O)c1ccc(I)c(Br)c1 721624326 VSWBDKHVOKHWPD-SECBINFHSA-N 490.961 3.536 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 746181327 VVEFNZBWZRRJRK-UHFFFAOYSA-N 458.536 3.946 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(-c2ccccc2)n1 914465520 AECGVCMJKACCQQ-PTGBLXJZSA-N 478.556 3.792 50 10 JHGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1C 1083961003 PAEJHBNKWHIWTO-UHFFFAOYSA-N 462.481 3.549 50 10 JHGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Br)cc1 1084478539 MTUPKBVTSFPYGK-UHFFFAOYSA-N 457.240 3.706 50 10 JHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NO)CC(C)(C)C2 1772728563 NSGXCEKSGCKAHT-UHFFFAOYSA-N 454.310 3.886 50 10 JHGE Brc1ccc(I)cc1CO[C@H]1COC[C@H]1Br 1902312735 ICTHETRZYHHMOV-MNOVXSKESA-N 461.919 3.733 50 10 JHGE Cn1ncc([C@H](Br)Cc2ccncc2Br)c1I 1924062485 FICLDEGEWUQMCA-SECBINFHSA-N 470.934 3.861 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2143976580 NTZMLLDZAHXVSL-GIPNMCIBSA-N 450.114 3.775 50 10 JHGE CN([C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)c1ccc(CBr)cc1 2163055749 KSUCJLNLVVLFGZ-CYBMUJFWSA-N 475.327 3.658 50 10 JHGE FC(F)(F)c1cnc(N2CC[C@H](OCCBr)C2)c(I)c1 2165427953 VSGXCGMKZSOMJS-VIFPVBQESA-N 465.051 3.695 50 10 JHGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179792356 FEGXEWRMSQMYSE-QZTJIDSGSA-N 469.832 3.987 50 10 JHGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2179826008 NYIHRKUDNQIRGX-NJDAHSKKSA-N 455.462 3.868 50 10 JHGE Cc1cc(S(=O)(=O)N(C)C[C@@]2(Br)CC2(F)F)sc1CBr 2202537450 ONYXGPPVCMCCDP-JTQLQIEISA-N 453.168 3.745 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCC(OCCBr)CC1 2283652684 YFUNHFMWYMVZLZ-UHFFFAOYSA-N 472.548 3.961 50 10 JHGE COCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O 2296543446 BNPSWCDSEVKEEH-UHFFFAOYSA-N 452.898 3.508 50 10 JHGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314793684 XTEZEGXUCXSJAY-UHFFFAOYSA-N 476.529 3.869 50 10 JHGE COc1cc(Br)cc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c1OC 2328826122 AHJPTVWMOVEAIE-AWEZNQCLSA-N 490.420 3.563 50 10 JHGE CSCC[C@H](Br)CCNC(=O)c1c(Br)c(Br)nn1C 2338681073 WITGRLONGWLEES-SSDOTTSWSA-N 478.048 3.582 50 10 JHGE CN(C1(CCBr)CCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338832504 BFYPHEOIDGTXAV-UHFFFAOYSA-N 485.444 3.812 50 10 JHGE CN(C(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC1(C)C 2361412244 UBIPQQWMQORLSY-INIZCTEOSA-N 461.422 3.848 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCCC[C@@H]1CBr 2364196206 XXRWVEKIVLJRBX-MSOLQXFVSA-N 499.471 3.964 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCCC[C@H]1CCCl 2364215988 XTIKKXQKYJXTFN-PXNSSMCTSA-N 455.020 3.950 50 10 JHGE O=C(N/N=C/c1ccc(O)c(O)c1O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 3275335 NDCJOXMXGFZONC-AUEPDCJTSA-N 496.328 3.675 50 10 JHGE Cc1ccc(-c2csc3nc(SCC(=O)N/N=C/c4ccc(O)cc4)[nH]c(=O)c23)cc1 9716084 CENSDDTZRXCUIM-AUEPDCJTSA-N 450.545 3.908 50 10 JHGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 10041399 MZEBUNKALCEGAO-DTQAZKPQSA-N 480.590 3.563 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)c(C(C)(C)C)c1 14661680 IUDOVQGVGYNWDA-UHFFFAOYSA-N 467.610 3.904 50 10 JHGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813514 JEGZLHRZEGHLFL-JJKYIXSRSA-N 488.588 3.664 50 10 JHGE CCCc1ccc(OCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c(Br)c1 40960119 MOORKPMTTUPCMO-FSJBWODESA-N 465.344 3.957 50 10 JHGE COC[C@H](Br)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 230144420 WFIXVSGELOFBSQ-SSDOTTSWSA-N 470.010 3.834 50 10 JHGE Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)CCl)CC1 253388996 RZCSGTDESIJUQO-WZONZLPQSA-N 460.043 3.692 50 10 JHGE COc1ccccc1NC(=O)C(=O)NN=C(C)CC(=O)Nc1ccc(Nc2ccccc2)cc1 254302653 FPAFSUZJZVNHQM-UHFFFAOYSA-N 459.506 3.898 50 10 JHGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cc3ccccc3nc2O)cc1 263622186 MVHXVZGLRWJLFV-UHFFFAOYSA-N 497.511 3.680 50 10 JHGE Clc1ccc(I)c(CN2CCCN(CCBr)CC2)c1 405220665 QEQZQNWBAULAMR-UHFFFAOYSA-N 457.581 3.847 50 10 JHGE CCOC(=O)N1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(SC#N)cc3)c2)CC1 586717572 NYPJVFHULFWTLM-UHFFFAOYSA-N 453.524 3.818 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NCCCNC(=O)c2cccc(O)c2)c(C)n1-c1ccc(F)cc1 726622062 GDBCTTAGIZKCJG-KGENOOAVSA-N 460.509 3.782 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NS(=O)(=O)c2ccc(Cl)cc2F)c(-c2ccccc2)n1 920791847 HEZROIFUDYYWKU-WJDWOHSUSA-N 483.912 3.668 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cnn(-c3ccccc3)c2C(F)F)cc1 1207113314 DYWDKGKELPOQNS-AWEZNQCLSA-N 457.437 3.633 50 10 JHGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=S)Nc1cc(C)ccc1C 1538822729 RRLDGKMXBFSIMJ-UHFFFAOYSA-N 450.358 3.665 50 10 JHGE COc1ccc2[nH]cc(/C=N\NC(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)c2c1 1860773070 OTSXENIIEKTYBM-PPDIBHTLSA-N 457.515 3.765 50 10 JHGE COc1ccc2[nH]cc(/C=N/NC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)c2c1 1860773826 GNPMLCDERHJCAZ-OIDYEGGCSA-N 463.563 3.784 50 10 JHGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O 1865759203 NIZLODSGFBYYMS-UHFFFAOYSA-N 497.338 3.811 50 10 JHGE Cc1nc(I)c(I)n1-c1nccc(CCl)c1F 1941547402 XTMRVDWBIDFNTQ-UHFFFAOYSA-N 477.446 3.663 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCC(CCl)CCl)C[C@@H](C)N1C(=O)OCc1ccccc1 2044692260 YPCSZGYBQDXLIH-IYBDPMFKSA-N 451.416 3.532 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](F)[C@H](CBr)C1 2056996726 BAMQBLMKQNUPCG-PSASIEDQSA-N 490.936 3.859 50 10 JHGE CCCN1CC[C@H]([C@@H](Br)c2ccc(I)cc2)S1(=O)=O 2089534457 GAQNNRAVRJACKX-OLZOCXBDSA-N 458.159 3.541 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1Cc1cc(Cl)ccc1I 2122374145 HYOALVAOIFXPMC-YPMHNXCESA-N 457.581 3.844 50 10 JHGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 2163054451 XIIVCXVCFXLKRF-GDBMZVCRSA-N 461.422 3.895 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NCC1(CBr)CCOCC1)C2 2163064420 UMCNKUBQSFQPDF-XHCCPWGMSA-N 465.454 3.820 50 10 JHGE C[C@]1(CBr)COCCN(C(=O)c2cc(Cl)ccc2I)C1 2199825561 QSTDLPAWSWGVEJ-CQSZACIVSA-N 472.548 3.818 50 10 JHGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 2201193440 BTGKCPAITFLOAA-PELKAZGASA-N 455.090 3.937 50 10 JHGE CC(F)(F)C[C@@H](CBr)NC(=O)c1c(F)cccc1I 2267674396 VMBUUAUEYIDHJB-ZETCQYMHSA-N 450.036 3.969 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@@H]2OCC[C@@]2(CBr)C1 2278863810 ICXMEQWHORFMMB-QPUJVOFHSA-N 474.012 3.899 50 10 JHGE COc1cc(C)c([C@H](Br)c2cnn(C)c2I)c(OC)c1 2287196577 UNJPYFCKVGVSAA-CYBMUJFWSA-N 451.102 3.835 50 10 JHGE COc1cc(C=C(C#N)C(N)=S)cc(I)c1OCc1ccccc1C#N 2297380735 OTLRFENDWROTIC-UHFFFAOYSA-N 475.311 3.944 50 10 JHGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 2313625110 ZQZQEWMZVZHPFC-UHFFFAOYSA-N 488.569 3.605 50 10 JHGE COc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314621157 ZXFFNGJAKXVIDY-UHFFFAOYSA-N 478.476 3.569 50 10 JHGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccccc3OC)nc2C)cc1OC 2321184563 GBIWKZGBHDCSPM-UHFFFAOYSA-N 461.518 3.947 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N(CCBr)C1CCOCC1 2381876771 DJQNDYNJWKHLFW-UHFFFAOYSA-N 467.632 3.729 50 10 JHGE O=C(NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 13619718 JXLYURYYOSQKQA-QHCPKHFHSA-N 459.502 3.572 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1OC 13977331 XLFXTSDEROQGMQ-CSKARUKUSA-N 475.979 3.921 50 10 JHGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)N1CCOCC1 34719294 QATOXQHCWLDTHH-KAMYIIQDSA-N 471.300 3.559 50 10 JHGE Cc1cccc2sc(Nc3ncnc(NNC(=O)COc4ccccc4)c3[N+](=O)[O-])nc12 40650427 PTCBWTDRMQIVBR-UHFFFAOYSA-N 451.468 3.569 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(Cl)ccc1Cl 41014384 UBCIWLSHEDMUPX-MHWRWJLKSA-N 491.327 3.752 50 10 JHGE CCCCCCCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100171248 UUFLTHPZMMCMFF-UHFFFAOYSA-N 464.813 3.864 50 10 JHGE COc1ccc(/C=C\C(O)=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1OC 105891295 FVVJWYSZZNNKCQ-AGCLVYFGSA-N 459.506 3.627 50 10 JHGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 207085339 ZWZGNZINAHNFII-MFOYZWKCSA-N 482.449 3.863 50 10 JHGE COc1ccccc1C(=O)NN=C1C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21 254710877 JUKVOXBSYMCFBM-QFIPXVFZSA-N 469.545 3.756 50 10 JHGE C[C@H](Br)C1CN(C(=O)c2cc(I)ccc2Br)C1 719888623 NOGHFKHTUASLCL-ZETCQYMHSA-N 472.946 3.909 50 10 JHGE O=C(NNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1)c1cccc2cccnc12 730767346 PEJVHMWJQSHJIK-UHFFFAOYSA-N 489.376 3.744 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1C 731334857 AHZVOLWTYQDMOT-GCGNNMJHSA-N 485.606 3.811 50 10 JHGE O=S(=O)(C[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1 731339733 BYIZPODXURXUDH-GOSISDBHSA-N 458.001 3.612 50 10 JHGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(OC)c1O 1865697257 YQPHMTXDLOSPSC-NSHDSACASA-N 459.222 3.617 50 10 JHGE O=C(NCc1nnc(CCl)s1)c1cc(Br)ccc1I 1877542644 IVDQFFKZKPOSBB-UHFFFAOYSA-N 472.533 3.574 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CC[C@H](CBr)CC1 1922690107 MJJMFGMGWPCKQD-QAQDUYKDSA-N 485.444 3.574 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)[C@H](Br)C1 2019466697 RKTNZZGPEUGYLG-OCAPTIKFSA-N 493.364 3.927 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)c1cccc(Br)c1Br 2112711431 SKCIPDGCVXMNFR-ZDUSSCGKSA-N 455.972 3.838 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CCN(CCCBr)CC1 2113616476 KEVRWTCBSJILDC-UHFFFAOYSA-N 475.044 3.816 50 10 JHGE C[C@H](Cl)[C@H]1CN(C(=O)c2cc(Br)ccc2I)CCO1 2117535177 YABMLQUJQUNESG-QPUJVOFHSA-N 458.521 3.522 50 10 JHGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2ccc(I)c(Cl)c2)C1 2121336608 HSVZCCXMTHVUEV-FJJSUARNSA-N 476.476 3.813 50 10 JHGE CC1(C)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2129312021 SFMSYWNKUMQBBB-SFHVURJKSA-N 485.444 3.668 50 10 JHGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NS(=O)(=O)c1ccc(CBr)cc1 2162592293 SNICGENMKUKGTL-ZIAGYGMSSA-N 461.422 3.751 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1F 2179788822 HYFZXZPPTVNYBJ-UHFFFAOYSA-N 460.365 3.575 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179819303 KLASTHDGBPPGSY-QZTJIDSGSA-N 453.402 3.626 50 10 JHGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179825944 NBYIDJPCSBGPFT-NJYVYQBISA-N 455.462 3.868 50 10 JHGE O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(CCCCCI)C1)C(F)(F)F 2214705164 OBKUFUYFXNRGCK-UWVGGRQHSA-N 460.200 3.666 50 10 JHGE C[C@H](Br)CN(CC(C)(C)C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2259725622 XGXBTGARWBFAOH-HNNXBMFYSA-N 473.433 3.524 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCC(=O)OC 2293175786 OIUGWCORZCTJBV-UHFFFAOYSA-N 458.854 3.534 50 10 JHGE O=C(Oc1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1)c1ccccc1 2323702231 ZSTMNXZIQCJANN-UHFFFAOYSA-N 456.433 3.971 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC(CCCCl)CC1 2364214841 PLQGZSCLJCVSCJ-UHFFFAOYSA-N 455.020 3.904 50 10 JHGE CCC(CC)(CCOc1cc(Br)cc(I)c1)C(=O)NN 2364276124 NLGOHHIPDLNPLN-UHFFFAOYSA-N 455.134 3.619 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccccc1I 13980299 XJGTVDOGWWIFLJ-CYBMUJFWSA-N 452.292 3.645 50 10 JHGE O=C(NC(=S)NNC(=O)c1ccccc1Cl)c1ccc(OCCOc2ccccc2)cc1 14039680 MGIXJPRTLXCNBG-UHFFFAOYSA-N 469.950 3.747 50 10 JHGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041897 JXGMCRXHSKSLIE-UHFFFAOYSA-N 483.977 3.676 50 10 JHGE CCOC(=O)Cn1cc(C(=O)C(=O)N2CCc3ccccc3C2)c2cc(NC(=O)[C@H](C)Cl)ccc21 23449410 RJSJZENHRBYSST-INIZCTEOSA-N 495.963 3.538 50 10 JHGE COc1ccc(CC(=O)N/N=C\c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)cc1OC 38804127 RXIHECPTHBOWFD-MSXFZWOLSA-N 453.451 3.635 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)CSc3ccccc3)c3ccccc32)cc1 59157285 MAWKCCPLFBJNGL-COOPMVRXSA-N 458.543 3.593 50 10 JHGE CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1 59246990 DNVJHWIKGRUUSK-DHRITJCHSA-N 466.365 3.753 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 101591880 DBNJZYYQMABLLO-NLRVBDNBSA-N 464.909 3.787 50 10 JHGE COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OCc1ccccc1 169879704 QAODOYRGGNXGFJ-YDZHTSKRSA-N 450.407 3.855 50 10 JHGE O=C(N[C@H](C(=O)NN=Cc1ccc(Cl)c(Cl)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 252592735 BFXQMTQSYYSVDM-NRFANRHFSA-N 494.338 3.851 50 10 JHGE O=C(c1cccc(F)c1I)N1CCC(F)(F)[C@H](CBr)C1 721694505 ZMCRGKGTGJCCRX-MRVPVSSYSA-N 462.047 3.923 50 10 JHGE CN(CCOc1cccc(CNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1)C1CCOCC1 728065892 XAOJKDWSVXGDAF-UHFFFAOYSA-N 482.625 3.618 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)c(-c2ccccc2)n1 918640979 ADIXPCJWXCOXRX-SQWSFHKJSA-N 457.456 3.941 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2ccccc2C(=O)O)cc1)S(=O)(=O)c1ccccc1 1084216990 AXSPWWSWKKHTAH-UHFFFAOYSA-N 463.515 3.530 50 10 JHGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084430066 WBPGJOIYGLREFF-UHFFFAOYSA-N 494.935 3.763 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 1636548790 XPBOXIUATQPWJT-QHCPKHFHSA-N 453.477 3.997 50 10 JHGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692858 POCAYDJJMSDLNK-NRFANRHFSA-N 464.497 3.877 50 10 JHGE O=S1(=O)C[C@H]2C([C@H](Br)c3cc(Br)sc3Br)[C@@H]2C1 2006153805 NTKZAWUHGGCZAH-HCVRKRLWSA-N 465.026 4.000 50 10 JHGE O=C(N[C@@H](CCl)C(F)(F)F)c1cc(Br)ccc1I 2030009697 XEADOZPSIULSCD-QMMMGPOBSA-N 456.427 3.953 50 10 JHGE O=C(NCCN1CCC(Br)CC1)c1csc(Br)c1Br 2093942081 JZNFPCBWQQKHKI-UHFFFAOYSA-N 475.044 3.862 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@]2(CBr)CCC[C@@H]12 2165253368 XWXQHOKDXHOYGL-GCJKJVERSA-N 497.455 3.668 50 10 JHGE O=S(=O)(c1ccc(OCCBr)cc1)N1CCC[C@@H](OCc2ccccc2)C1 2186381973 RUJLCLIQFLUUFJ-LJQANCHMSA-N 454.386 3.830 50 10 JHGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NCCCCCI)C1 2211183940 JWAPJBSUNJRMFX-BLOHKPANSA-N 458.406 3.993 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 13976340 PNPJQEVBSWCQHF-UHFFFAOYSA-N 486.391 3.554 50 10 JHGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1OC 38688631 IUCUOAWGKAKFHB-ZEQRLZLVSA-N 486.480 3.667 50 10 JHGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)Cc4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])c2n1 40626807 LQQBZBARQSPFCM-UHFFFAOYSA-N 474.437 3.579 50 10 JHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)cc1 40826371 AJFZNBRJHDVJJK-NLRVBDNBSA-N 462.458 3.770 50 10 JHGE COc1cc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)ccc1OC(C)=O 254307160 DUJJKOADWSVBFF-UMQCCNOLSA-N 463.515 3.603 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(O)c3)nnc2-c2ccc(C)cc2)cc1 254743167 QAKIIDUZWSJTHX-UHFFFAOYSA-N 489.557 3.905 50 10 JHGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl 725439007 SWWFCSDVUGOEAJ-UHFFFAOYSA-N 458.971 3.664 50 10 JHGE CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1 1084096994 KVUMRPXYVJRDFL-UHFFFAOYSA-N 478.574 3.689 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc2c(c1)OCO2 1084308531 HVVWEKJGKVPHBO-UHFFFAOYSA-N 470.117 3.778 50 10 JHGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2O)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084555203 OKGIDJKTHYRFIW-UHFFFAOYSA-N 487.965 3.790 50 10 JHGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)cc(I)c1O 1084639613 STNYQKMDCZWFMO-HNNXBMFYSA-N 458.683 3.614 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)c1 1455408154 XGOZGTGYBRMVGB-HXUWFJFHSA-N 450.564 3.868 50 10 JHGE C#CC[C@]1(C(=O)NNc2ccc(OC)cc2Br)CCCN1C(=O)OC(C)(C)C 1471696432 LLQRIKAKGYXAJW-HXUWFJFHSA-N 452.349 3.694 50 10 JHGE C=CC[C@]1(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1586387880 KHMQDLAECABXNK-OYHNWAKOSA-N 451.951 3.601 50 10 JHGE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)C(=O)NCC 1597277931 RSILTHFRPBZZDK-JOCHJYFZSA-N 450.539 3.552 50 10 JHGE CCOC(=O)c1nc(CBr)c(I)cc1OC(F)(F)F 1848387730 QVGYFABGZQJAOZ-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1C 1865756162 JLBDDRCQOXACBN-XMMPIXPASA-N 484.556 3.756 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCC(=O)c3ccc(F)cc3)c(C)n2)cc1OC 1865759103 IIGGXFVCXUOASV-UHFFFAOYSA-N 465.481 3.637 50 10 JHGE O=C(N[C@H](C[S@](=O)CC1CC(Cl)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893513523 KSFFZDAQQGQGSU-WKGKASRFSA-N 461.967 3.744 50 10 JHGE C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 2010826715 GMVHLGRLIDCCPF-DLBZAZTESA-N 479.709 3.897 50 10 JHGE C[C@@H](Br)[C@H]1CCN1S(=O)(=O)c1cc(Br)ccc1Br 2061821411 NLRBGBGDMBNIPC-GMSGAONNSA-N 462.001 3.758 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H](Br)c1ccccc1 2089707442 OAAQMEJOWPETEB-LJQANCHMSA-N 479.396 3.509 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cnsc2Br)C1 2119234686 SKARUWURVVYQHX-VIFPVBQESA-N 496.084 3.659 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)CC(F)(F)C(F)(F)F)C1 2145885890 QXGYLBXSEUNUMK-SSDOTTSWSA-N 452.077 3.785 50 10 JHGE CC1(C)[C@H](CCl)OCCN1C(=O)c1ccc(I)c(Br)c1 2159641526 WNTBYRUUMNRIAH-LBPRGKRZSA-N 472.548 3.912 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NC(=O)N2CCC(Br)CC2)C1(C)C 2162866943 CLOKHANCAWVZDJ-QWVSSGJLSA-N 466.442 3.757 50 10 JHGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)N2CC(OCc3ccccc3)C2)C1 2165001324 YHBBGGAKIUJNDP-ZWKOTPCHSA-N 459.450 3.511 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CCBr)cc2)C1 2179776900 XZUAJGZFDBAZHP-GOSISDBHSA-N 451.430 3.767 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC[C@@]2(C[C@@H](Cl)CO2)C1 2201782183 WMMFBGPGILCUNK-YMTOWFKASA-N 470.532 3.666 50 10 JHGE CCN(CCBr)CCC[C@@H](C)NS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 2204137222 IJSPLAXUOUUGPV-MISYRCLQSA-N 461.466 3.539 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)CC12CCCCC2 2232245235 GEVXWMNBAPGURJ-MRXNPFEDSA-N 483.428 3.565 50 10 JHGE O=C(c1c(F)cccc1I)N1CC[C@H](CBr)C(F)(F)C1 2282802803 BLKBZAPAQGYGPD-MRVPVSSYSA-N 462.047 3.923 50 10 JHGE O=C(NN=Cc1cccc(Cl)c1Cl)[C@@H](Sc1nnc(O)nc1O)c1ccccc1 2323176699 ADQZLZJGTAMCDZ-AWEZNQCLSA-N 450.307 3.573 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](Br)CC12CCC2 2364230179 IZUWWAYASUGJOK-MRVPVSSYSA-N 470.003 3.867 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364253612 DNSCJZHLWFAZBH-NXEZZACHSA-N 450.114 3.632 50 10 JHGE C[C@@H](Cl)COCc1cn(Cc2ccc(I)c(Br)c2)nn1 2377434897 ONSJFJUVEYFOEG-SECBINFHSA-N 470.536 3.837 50 10 JHGE CC[C@H](Nc1ccc(I)cc1C)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 2744608 VLXCIIRMGMWHJP-VVSAQIQQSA-N 472.308 3.910 50 10 JHGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)CCc1ccccc1Cl 10460502 QUXYKNALKLMDHQ-OAHLLOKOSA-N 455.967 3.915 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)Cc1ccc(Cl)cc1 14001884 BCEBMUUTPHRJLL-UHFFFAOYSA-N 490.579 3.942 50 10 JHGE COc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14006358 SSDAUFFIFPLOAU-AWEZNQCLSA-N 473.323 3.605 50 10 JHGE CC(C)O[P@](=O)(F)OCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 72399444 KDPHOPZAOAVYRV-QAIQXEEZSA-N 467.544 3.908 50 10 JHGE in-vitro C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 207900966 BPXYQKNUVBYZGY-SILNSSARSA-N 451.548 3.972 50 10 JHGE COc1cc(C=NNC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc(OC)c1OC 254393845 UJWHSLBBAFVKLC-UHFFFAOYSA-N 474.521 3.669 50 10 JHGE CCN1C(=O)C(=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c2ccccc21 254442512 KYBSMWULOVBGLG-UHFFFAOYSA-N 482.569 3.913 50 10 JHGE ClCc1c(-n2cnc(I)c2I)nc2sccn12 304468081 YZTZAPACOZDTCM-UHFFFAOYSA-N 490.495 3.530 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CCS[C@@H](CCl)C2)cc1Br 720082937 IEMAYWIMZAZWEQ-VIFPVBQESA-N 463.644 3.865 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCCl)C1CCCCC1 725074093 SXFJYJPOPDDSKG-IBGZPJMESA-N 455.020 3.806 50 10 JHGE C=CCN1C(=O)c2ccc(C(=O)NNC(=S)Nc3cc(C(F)(F)F)ccc3Cl)cc2C1=O 725906928 IBCNQBUISBBWGG-UHFFFAOYSA-N 482.871 3.772 50 10 JHGE CN(C[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1)C(=O)OC(C)(C)C 1260503654 JWQANGGEDNEDKO-MRXNPFEDSA-N 461.422 3.849 50 10 JHGE C#CCCCC(=O)NNC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 1562258375 OBIBJPBLCRTLHN-UHFFFAOYSA-N 453.974 3.618 50 10 JHGE CCOC(=O)Cc1cc(OC(F)(F)F)nc(CBr)c1I 1848387515 BBIGAPJHEYKJSR-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)Nc1ccc(Cl)cc1 1860771021 GNYTWSPMTMEMOZ-UHFFFAOYSA-N 453.911 3.631 50 10 JHGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692859 POCAYDJJMSDLNK-OAQYLSRUSA-N 464.497 3.877 50 10 JHGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4cccc(OC)c4)nc3C)cc2C1=O 1865758695 MQITZFRJQDPGLC-OAHLLOKOSA-N 486.528 3.535 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H]2CCC[C@H]1CC(Br)C2 1922763472 DOFFKRMSUOHYQI-RYUDHWBXSA-N 450.114 3.917 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H](F)[C@@H](CBr)C1 2056989242 IPYGFAKSLJLBQS-WRWORJQWSA-N 490.936 3.859 50 10 JHGE C=C[C@@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2082209470 JVPMQWZUYHMZTR-QMMMGPOBSA-N 462.001 3.748 50 10 JHGE C[C@@H](CCCCCI)NC(=O)c1nn(C)c(Cl)c1Br 2117882750 QJLCVEVNAYJARF-QMMMGPOBSA-N 462.557 3.950 50 10 JHGE Cc1cccc(C(=O)N2C[C@@H](CBr)OCC2(C)C)c1I 2167532362 KSROTIDMIHGPDB-LLVKDONJSA-N 452.130 3.614 50 10 JHGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(CBr)c1F 2179860369 QPTCYCVHJPZLEF-HNNXBMFYSA-N 459.356 3.755 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189050383 PPRLYMQRPWZYJM-WOFXILAISA-N 467.983 3.694 50 10 JHGE O=S(=O)(N[C@H]1COC2(CCC2)[C@H]1Br)c1cc(Cl)c(Br)s1 2206487546 WFFGIPBQOKBOMU-CBAPKCEASA-N 465.616 3.527 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[C@H]1Br 2221691393 ZRZQRMXWZFWDRF-BPLDGKMQSA-N 476.209 3.785 50 10 JHGE C[C@H](CCCCCI)NC(=O)c1cc(Br)c(O)cc1O 2282980039 INQMCJXDONUTFX-SECBINFHSA-N 456.118 3.974 50 10 JHGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNC1CCN(C(=O)OC(C)(C)C)CC1 2318468024 IXDMEMULALJQFV-SFHVURJKSA-N 456.587 3.968 50 10 JHGE C[C@@H](Br)COCc1cn(Cc2ccc(Cl)cc2I)nn1 2366713244 XCJBXARUQYOCPU-SECBINFHSA-N 470.536 3.884 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br 14770227 BYRBURPLTZOGCW-UHFFFAOYSA-N 489.107 3.527 50 10 JHGE CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC)c(OC)c1 40911794 FIKDYLVNELOSTF-WSDLNYQXSA-N 451.317 3.784 50 10 JHGE O=C(NNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccc(-c2ccc(F)cc2)s1 107931110 PVTDCYYSHHQKRY-SFHVURJKSA-N 483.540 3.936 50 10 JHGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2c(O)cccc2O)C1 382704139 DTHRBHJRSBGFFR-CABCVRRESA-N 453.276 3.885 50 10 JHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Cl 1084025924 BQYQCTNGRUNWEB-UHFFFAOYSA-N 455.967 3.724 50 10 JHGE CC(=NNC(=O)CC(=O)NN=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1 1084133170 LTBUAAUUFHBBPF-UHFFFAOYSA-N 494.187 3.982 50 10 JHGE C=CCOc1cc(OC)ccc1C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 1182534758 OKJLSFMHTHPNOU-UHFFFAOYSA-N 453.520 3.818 50 10 JHGE O=C(NNC(=O)c1ccc(I)cc1Cl)c1ccc(Br)cc1 1318216373 NLQVOOZBVAWFLS-UHFFFAOYSA-N 479.499 3.782 50 10 JHGE O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 1565517616 UIZFGNLURNWHTF-UHFFFAOYSA-N 498.835 3.905 50 10 JHGE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=NNC(=O)c1ccccc1O 1772718507 DNWYGBKTODNCTN-ZTPJVXOPSA-N 458.337 3.958 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720240 JWAOEVOVPTUMHG-UHFFFAOYSA-N 478.501 3.851 50 10 JHGE COCCNC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748805 OGHFTCVBHLFEAG-UHFFFAOYSA-N 459.546 3.953 50 10 JHGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865706990 LFIUYPKXEBZKBO-HSZRJFAPSA-N 481.597 3.720 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCCC[C@H]1CCBr 2090572616 OUZLCXSQZODZKS-LPHOPBHVSA-N 485.444 3.716 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2ccc(I)c(Cl)c2)C1 2109024043 MPMDYMUEAJDIRK-NXEZZACHSA-N 458.521 3.569 50 10 JHGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2123225449 PKSVYKRIKCHPMZ-IBGZPJMESA-N 455.443 3.930 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCO[C@H](CCCl)C1 2142289419 QDKAPTWWBSZTBU-SNVBAGLBSA-N 458.521 3.524 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164657514 XLCDHLWHHDTMSU-CDMKHQONSA-N 450.114 3.775 50 10 JHGE CC1(C)CO[C@H](CCl)CN1C(=O)c1ccc(I)c(Br)c1 2167525523 XWALXUNCLBKKEH-SNVBAGLBSA-N 472.548 3.912 50 10 JHGE Cc1ccc(I)c(C(=O)N2C[C@H](CBr)OCC2(C)C)c1 2240926994 YAPMICNZUHMPFJ-NSHDSACASA-N 452.130 3.614 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H]2[C@H]1CBr 2311380943 VSRRCULWWRNVKI-JWKOBGCHSA-N 484.957 3.909 50 10 JHGE COc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OC)c1OC 2313683084 RJPGDLNRHFFDRA-UHFFFAOYSA-N 486.528 3.672 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2344149097 IIDWRBKOCYCBDH-FJBKBRRZSA-N 456.324 3.854 50 10 JHGE Clc1ccc(I)cc1CN1CCN(CCCBr)CC1 2352413793 MELBYRQSKAUZIS-UHFFFAOYSA-N 457.581 3.847 50 10 JHGE CC1(C)CO[C@H](CBr)CN1C(=O)c1ccc(Cl)cc1I 2365598717 CMYNWPJZDMHDDG-SNVBAGLBSA-N 472.548 3.959 50 10 JHGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)c2ccccc2I)cc1 14040186 BDZPDXWPFKTRDR-CYBMUJFWSA-N 452.292 3.643 50 10 JHGE Cc1cc(C(=O)NNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)o1 21194434 YHLHLRRDCAMSGK-UHFFFAOYSA-N 459.462 3.661 50 10 JHGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40657460 NMGJVYSKNDWKMA-UHFFFAOYSA-N 497.515 3.725 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Nc3ccc(Br)cc3F)c2[N+](=O)[O-])cc1 40658869 PNVWYQIOOHMSEQ-UHFFFAOYSA-N 477.250 3.796 50 10 JHGE CN(C)c1ccc(-n2cccc2/C=N/NC(=O)COc2ccccc2I)cc1 59105091 RURKWQSZGSNBQJ-OEAKJJBVSA-N 488.329 3.677 50 10 JHGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3cccc(NC(=O)CN(C)C)c3)c2C)cc1 107951934 KTTHQUSXCPCZNJ-HAHDFKILSA-N 485.588 3.826 50 10 JHGE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 206404154 MRMUTPXPBDQVED-UYRXBGFRSA-N 476.485 3.895 50 10 JHGE COc1ccc(CCNC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1OC 216778193 LWWVHHNKQHDIFO-SSZFMOIBSA-N 491.329 3.795 50 10 JHGE C[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@@H](CBr)O1 686112107 XGNJTHRJTSUJCD-VXNVDRBHSA-N 465.051 3.694 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CBr)c1ccccc1 703966061 BSJRULIQJMMUON-QFIPXVFZSA-N 493.423 3.539 50 10 JHGE Cn1cc(C(=O)NNC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)c2ccccc21 726270956 KEOKQUKWJOJQGQ-HSZRJFAPSA-N 452.518 3.799 50 10 JHGE C=CCOc1cccnc1C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 1160501222 FEPPVUDEUCFSHM-UHFFFAOYSA-N 459.531 3.890 50 10 JHGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711713 GKJWQQXOCRFVFS-QFIPXVFZSA-N 491.479 3.921 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc(OC)c1O 1865714384 IXXCGLNDQZSKPV-FQEVSTJZSA-N 452.898 3.834 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Br 1924807673 ZTFZGDATZQNJSQ-QFBILLFUSA-N 497.455 3.716 50 10 JHGE O=C(N[C@H]1C[C@@H](Br)C1)c1cc(Br)ccc1I 1986070745 KNFOWXHVUPPWBC-OCAPTIKFSA-N 458.919 3.709 50 10 JHGE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1 2044687997 BQSWFZZIJYXNCR-GOSISDBHSA-N 467.385 3.613 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)ccc2F)C1 2179789709 URBJYUPTIMZBSU-MRXNPFEDSA-N 455.393 3.863 50 10 JHGE NNC(=O)C1(COc2c(Br)cc(Br)cc2Br)CCCC1 2239308524 ULOAWKZAVAJZTD-UHFFFAOYSA-N 470.987 3.903 50 10 JHGE Cn1ncc(-n2c(CCl)nc3cc(Br)ccc32)c1I 2265311997 NNLZYAWTGYTIGC-UHFFFAOYSA-N 451.493 3.865 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCCOCCOc2ccccc2)C1 2278386860 KPWNOQHEWVMCQJ-IRXDYDNUSA-N 477.339 3.522 50 10 JHGE COCC12CC([C@@H](Br)c3ccc(OC)c(I)c3)(CO1)C2 2285005814 FMPCIAOHSLKNKJ-NFOMZHRRSA-N 453.114 3.931 50 10 JHGE COc1cc(C(=O)N=C2NC(=C(C#N)C(=O)NC3CCCCC3)c3ccccc32)cc(OC)c1OC 2296532663 AGEXOFVVVAQBOD-UHFFFAOYSA-N 488.544 3.586 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CCCl)COCc1ccccc1 2303706729 IAZJNPOSZWCYQC-LBPRGKRZSA-N 479.600 3.889 50 10 JHGE O=C(Cn1nnc2ccccc21)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2313653287 MBOJJIZJMUIDIL-UHFFFAOYSA-N 494.305 3.556 50 10 JHGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C(C)=C(C#N)C1=O 2314618209 JHRXZHSKKDNUJH-UHFFFAOYSA-N 496.523 3.549 50 10 JHGE CC(C)N(C[C@H](C)Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316816514 AREFHFOVJVVJPJ-INIZCTEOSA-N 473.433 3.667 50 10 JHGE N#CC(=CNCCc1ccc(S(N)(=O)=O)cc1)C(=O)NC1CCCCCCCCCCC1 2325481585 QEMCPLOSWSTDAR-UHFFFAOYSA-N 460.644 3.663 50 10 JHGE C[C@H]1CC[C@@](CBr)(NC(=O)c2c(Br)c(Br)nn2C)C1 2338690971 MZTSHIJLZKFKSR-JVXZTZIISA-N 457.992 3.629 50 10 JHGE COCCO[C@H]1[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Cl 2377593606 GQPIBTXZQFMTRM-KWCYVHTRSA-N 475.548 3.982 50 10 JHGE CS(=O)(=O)[C@H]1C[C@H](CO[C@H](CI)c2ccc(Br)cc2)C1 2381028421 LUZLDRNCQBMJRK-LERXQTSPSA-N 473.170 3.765 50 10 JHGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 10295625 GFAGBICSVHLIBF-AWEZNQCLSA-N 494.411 3.649 50 10 JHGE CC(C)C1=CC(=O)[C@@](C)(Br)[C@H](Br)/C1=N\S(=O)(=O)c1ccccc1 12561071 DVKJIDDNNDDYAO-CVIIKPLDSA-N 463.191 3.899 50 10 JHGE O=C(NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 13619719 JXLYURYYOSQKQA-HSZRJFAPSA-N 459.502 3.572 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1 13983616 RMTQHLZAOWHVFM-ZDUSSCGKSA-N 478.412 3.986 50 10 JHGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1Br 14658855 YXFLSPWEXGOLEC-UHFFFAOYSA-N 486.160 3.839 50 10 JHGE CN1C(=C(C#N)C(=O)COC(=O)c2cccc(OCc3cscn3)c2)N(C)c2ccccc21 24361124 FNTSPMUHCGXCTE-UHFFFAOYSA-N 460.515 3.769 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1ccccc1F 40658212 CPKYDFLYWSDMER-UHFFFAOYSA-N 465.214 3.926 50 10 JHGE C#CCOc1c(CC=C)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 58895327 WBNJQWLDBAJALT-HTYUJRJUSA-N 450.535 3.798 50 10 JHGE CCn1c(SCCCC(=O)N/N=C/c2cc(OC)c(O)cc2[N+](=O)[O-])nc2ccccc21 58992123 UXEUJNNDWUORIY-LPYMAVHISA-N 457.512 3.701 50 10 JHGE O=C(CSCc1ccccc1Cl)N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21 59165746 IYHYUDITWGZDOZ-SLEBQGDGSA-N 471.026 3.926 50 10 JHGE Cc1cccc(NCc2nnc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n2-c2ccccc2)c1 59844709 FKVOSWMASMCXIQ-QGZVFWFLSA-N 464.595 3.616 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@H](Br)C1 125467845 ICSAPHUEACXTGC-VIFPVBQESA-N 462.001 3.760 50 10 JHGE COc1cc(OC)c(C=NNC(=O)c2cccc(I)c2)cc1Br 252462924 XKMKZEGWDMZFNQ-UHFFFAOYSA-N 489.107 3.835 50 10 JHGE Cc1ccccc1C(=O)NN=C1C(=O)N(CN2CCCCC2)c2ccc(Br)cc21 254447929 JHLBJDWHBBBPND-UHFFFAOYSA-N 455.356 3.682 50 10 JHGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3ccccc32)cc1 254530914 LZWDVVJOVUNRGT-UZLGFSINSA-N 495.583 3.801 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2cccc(C)c2)cc1 254867047 CAEMEGVCPYXCRC-UHFFFAOYSA-N 453.502 3.945 50 10 JHGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OC(C)C 254867662 LDNDPMBWRUCGFI-OAHLLOKOSA-N 468.579 3.529 50 10 JHGE Cn1cc(C(=O)NNC(=O)c2ccc(Br)cc2I)c2ccccc21 727799547 HJLRBFBKIRWTPK-UHFFFAOYSA-N 498.118 3.620 50 10 JHGE CCOc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OC 1860774468 YLLHQJWDVFLSHZ-UJGSYMHQSA-N 468.579 3.701 50 10 JHGE FC1(CBr)CN(Cc2ccc(I)c(Br)c2)C1 1904328656 VZNVFNFDZHUJFP-UHFFFAOYSA-N 462.926 3.973 50 10 JHGE C[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1914618412 WWNMSZIUDBFZFN-GOSISDBHSA-N 462.999 3.912 50 10 JHGE CC[C@@H](C)[C@H](CI)NC(=O)c1ccccc1I 2023036566 AWDUETCXCPSMEE-SKDRFNHKSA-N 457.093 3.871 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC(CCBr)C1 2026218074 PDDKFORHFHNPLW-UHFFFAOYSA-N 472.946 3.911 50 10 JHGE O=C(NCCOCCCI)c1ccc(Br)cc1Br 2042202535 BUWKVPMXPSJXAJ-UHFFFAOYSA-N 490.961 3.783 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2cc(Br)sc2Br)C1 2046669391 NEXKKWPUHBEUNK-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)cc1 2179776948 YOIKVIZORQNSAI-HXUWFJFHSA-N 451.430 3.767 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H]2CCO[C@@]2(CBr)C1 2231364264 WRCJDISVIICYBM-KRTXAFLBSA-N 474.012 3.899 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CCO[C@@]2(CBr)C1 2239895050 OHAXOICXADDKMX-OTYXRUKQSA-N 467.983 3.838 50 10 JHGE CC1(C)OCCN(c2ncc(I)cc2Br)[C@@H]1CBr 2255964843 SUDRJIXMOSDPBC-SNVBAGLBSA-N 489.977 3.827 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2268351311 WFGHLWOGIVTAMH-PSASIEDQSA-N 458.521 3.569 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@@]2(CBr)C1 2277916427 NSOVYTFDCWCMBA-IINYFYTJSA-N 451.984 3.998 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295317593 PAOOBNCJDKOAFA-AWEZNQCLSA-N 469.999 3.767 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2OCC[C@@]2(CBr)C1 2296362792 ZSAPONKGRNHEGO-TZMCWYRMSA-N 467.983 3.838 50 10 JHGE N#CC(=CNc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2296763976 QIHPKWNDUHZESU-UHFFFAOYSA-N 459.940 3.797 50 10 JHGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1 2313568114 ROOBFFZXHBZQJL-UHFFFAOYSA-N 462.287 3.874 50 10 JHGE CCOc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314620928 WIBMUMUJPSMYPG-UHFFFAOYSA-N 492.503 3.959 50 10 JHGE COc1cccc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)c1OCc1ccccc1 2323097991 LCYVESKWTMSCIL-UHFFFAOYSA-N 456.502 3.594 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC([C@H](F)CBr)CC1 2364022291 OBBQPBUEFWAMAJ-MRVPVSSYSA-N 475.982 3.530 50 10 JHGE O=C(c1ccccc1I)N(CCCBr)C1CCOCC1 2381012599 TUNAGSNQKSFQDO-UHFFFAOYSA-N 452.130 3.697 50 10 JHGE CCOC(=O)c1sc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c(SC#N)c1C 8893058 BCRAEYCZQBQCEO-MRXNPFEDSA-N 493.632 3.907 50 10 JHGE CC(C)C(=O)Nc1ccc(C(=O)NN/C=C2\C=C(Br)C=C(Br)C2=O)cc1 13126188 UNAMHVHOGXUWNQ-FMIVXFBMSA-N 483.160 3.540 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2)cc1Br 14041445 OFSVKDCBZBUMPV-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE CCOc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 38608872 UYIHFLYDONIMCY-LPYMAVHISA-N 492.503 3.959 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1cccc(Cl)c1 41017423 STQUJNMITZZDBN-SRQUHQSVSA-N 452.894 3.733 50 10 JHGE CCOC(=O)[C@H](Br)Cc1cc(Br)ccc1I 300908942 QDHZNVAYHKKCGZ-SECBINFHSA-N 461.919 3.923 50 10 JHGE C[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H](CBr)O1 705407409 BSAYMNKURWBGHA-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1C 731334860 AHZVOLWTYQDMOT-SSPRZHTQSA-N 485.606 3.811 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Cl)ccc1OC(C)=O 1084035619 RZNKCFCFCVAKQJ-UHFFFAOYSA-N 455.692 3.566 50 10 JHGE CC[C@]1(OC)OCC(=O)[C@]2(O1)[C@@H](C)C[C@H]1[C@@H]3C[C@@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 1848441370 KDKKHMQOLYHOFL-MPLHFICOSA-N 497.003 3.885 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(C(C)(C)C)cc4)c(=O)c23)C1 1860771884 KRKPEFGBPJODQE-HUUCEWRRSA-N 466.607 3.903 50 10 JHGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865696406 GFEYMVHXXWDSGV-GFCCVEGCSA-N 473.249 3.827 50 10 JHGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1O 1865701431 VNMYSQPPVWUYNC-VIFPVBQESA-N 494.065 3.888 50 10 JHGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)CCCSc2ccc(C)cc2)CC1=O 1865755694 MBLHTTHNHYADPN-FQEVSTJZSA-N 453.608 3.939 50 10 JHGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)c(C)n2)cc1 1865757415 BUIWDRZTBQFPOR-UHFFFAOYSA-N 470.529 3.835 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1cc(CBr)ccc1Br 1887893762 UKJHFECERQTSPH-GXSJLCMTSA-N 476.028 3.748 50 10 JHGE BrC[C@H](Cn1cnc(I)c1I)C1CCC1 1928323675 GASJSCIUWSRIKW-MRVPVSSYSA-N 494.940 3.904 50 10 JHGE CCOC(=O)c1c(I)cc(I)cc1CCl 2055322621 GYSFZBPSVIRWLK-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE COC(=O)Cc1cc(I)c(OC(F)(F)F)cc1CBr 2055375683 PZMJTZFMYWXBPZ-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE O=C=Nc1c(I)ccc(I)c1OC(F)(F)F 2060034484 NPVIUYBCRNJUIT-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](Br)CC12CCC2 2113570716 TVBDUFBVYVGZPR-MRXNPFEDSA-N 483.428 3.565 50 10 JHGE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)N2CCC(Br)CC2)cc1 2162598630 CCYAIUWFAAQMQP-CYBMUJFWSA-N 462.410 3.788 50 10 JHGE O=C(c1cc(I)ccc1F)N1CC[C@H](CBr)C(F)(F)C1 2169661765 KCEMJUOGAXJLSX-MRVPVSSYSA-N 462.047 3.923 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178082231 JZJUSRLNAJMUTL-XDTLVQLUSA-N 467.983 3.694 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1ccc(CBr)o1)C2 2179865851 YCDOEJJFYFGLAQ-BGYRXZFFSA-N 453.402 3.707 50 10 JHGE O=S(=O)(c1cc(F)ccc1CBr)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187746752 BVEQZYNSYBXDRX-LPHOPBHVSA-N 453.377 3.616 50 10 JHGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(Br)ccc1[N+](=O)[O-] 2201198045 INTWZAJBVOKBJZ-LDYMZIIASA-N 455.090 3.937 50 10 JHGE COc1cc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)cc(OC)c1 2256308885 FPFSCCSOWOZXKX-CVEARBPZSA-N 463.312 3.643 50 10 JHGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)c(C)c1 2296544444 GOVRQEXVOPTEGL-UHFFFAOYSA-N 460.534 3.942 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354694623 XLCDHLWHHDTMSU-NDMJEZRESA-N 450.114 3.775 50 10 JHGE N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc2ncc(Br)cc2[nH]1 33467119 VKXIXBOXJRAMNQ-GHXNOFRVSA-N 470.308 3.692 50 10 JHGE CCOC(=O)c1sc(NC(=O)N/N=C/c2ccc(O)c(OCC)c2)c(C(=O)OCC)c1C 40840290 UFIVVLGNIJPCMU-SSDVNMTOSA-N 463.512 3.670 50 10 JHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 101341653 DHKNXGVFGVXPRC-DEDYPNTBSA-N 468.893 3.772 50 10 JHGE N#C/C(=C/NCc1cccc(CN)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216495238 WRMCHXYPXLKNSS-QYQHSDTDSA-N 465.601 3.576 50 10 JHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 252629526 UIHKAPFPUCIIDR-UHFFFAOYSA-N 496.545 3.729 50 10 JHGE CCCCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 253380249 OXPZZLMOXWPMDE-INIZCTEOSA-N 482.606 3.921 50 10 JHGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 254350062 IMORHWXIHXYSCW-JRRNPMDOSA-N 475.457 3.751 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)c2cc(Br)ccc2Br)C1 401509204 UTHJDAHEVYTOQU-ZDUSSCGKSA-N 455.972 3.838 50 10 JHGE O=C(CBr)c1c([N+](=O)[O-])ccc(OC(F)(F)F)c1I 575711559 UDAOMICAGWBNJZ-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](CCC(N)=O)C2)c(-c2ccc(Cl)cc2)n1 727107946 IAJQJYPQQHNVGH-AMRJIULGSA-N 464.957 3.528 50 10 JHGE COc1cccc(N2CC[C@@H](NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)C2)c1 728192111 CIJRMQYPMIPJOR-JDCXBEBJSA-N 466.545 3.774 50 10 JHGE COc1ccc(C(C)=NNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1 1084074939 CCSQGPKRXRJQDY-UHFFFAOYSA-N 481.574 3.748 50 10 JHGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@H]1C[C@@H]1c1cccc(Br)c1 1116006153 FGVKGAIEWVFEFP-CABCVRRESA-N 453.134 3.712 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2c(F)cc(Br)cc2F)cc1 1667489855 AMFFCIZETKUQDU-SNVBAGLBSA-N 456.243 3.550 50 10 JHGE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746885 IDRHFDABANNSJK-UHFFFAOYSA-N 461.478 3.851 50 10 JHGE C#CCN(CCBr)C(=O)c1ccc(Br)cc1I 2026217527 LJMHTLOIHPMBSH-UHFFFAOYSA-N 470.930 3.524 50 10 JHGE COC[C@](C)(CCBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 2101795352 HNNXJVKNLQLOBA-JTQLQIEISA-N 455.621 3.632 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2132370928 UIPDGBSDKKHPMZ-SJLPKXTDSA-N 455.443 3.581 50 10 JHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(CCCCl)c1 2164500514 GFWBAOYPDYBJMW-OAQYLSRUSA-N 452.935 3.624 50 10 JHGE CN(C[C@H]1C[C@@H]1C(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179793659 XHKNXANPURALPI-SVRRBLITSA-N 453.168 3.927 50 10 JHGE CC(C)(C)OC(=O)Nc1cccc([S@](C)(=O)=NCCOCCI)c1 2306798348 DWCMBMLBIGTISJ-DEOSSOPVSA-N 468.357 3.942 50 10 JHGE C[C@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2338852367 NNSPYQPJOPXZES-DLBZAZTESA-N 485.444 3.526 50 10 JHGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1cc(F)c(F)cc1F 2343413846 IMWCZXDCZDBYGN-CYBMUJFWSA-N 452.292 3.753 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC12CCC(CCl)(CC1)C2 2364216901 SBIWRTXMROSFMT-UHFFFAOYSA-N 453.004 3.704 50 10 JHGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc(Br)cc1 12503523 XGICRPVUBBDOES-MDWZMJQESA-N 484.375 3.716 50 10 JHGE COc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 14651279 HZMKKKBGCLXMDC-UHFFFAOYSA-N 494.411 3.832 50 10 JHGE COc1cc(C=NNC(=O)NN=Cc2cc(Cl)c(OC)c(OC)c2)cc(Cl)c1OC 252628453 SQNLCRBCTQAVBF-UHFFFAOYSA-N 455.298 3.695 50 10 JHGE COc1cccc(N2CC[C@@H](NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)C2)c1 728192108 CIJRMQYPMIPJOR-FQWPPLDYSA-N 466.545 3.774 50 10 JHGE C[C@@H](CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 729167892 SYTPYZFZMIEJNA-INIZCTEOSA-N 488.512 3.557 50 10 JHGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)n2)cc1 1865757807 VSFLXFLPXCYRRJ-IBGZPJMESA-N 452.555 3.774 50 10 JHGE O=C(NCCCCI)c1ccc(Cl)cc1I 1901577799 BIHISMXOLYZQPO-UHFFFAOYSA-N 463.484 3.890 50 10 JHGE Cn1ncc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1I 1915310303 AUJBWPVCGNMDLW-HNNXBMFYSA-N 488.167 3.841 50 10 JHGE Cc1c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c(Br)nn1C 2014560600 RSVFZFWABTUXBP-AWEZNQCLSA-N 459.182 3.543 50 10 JHGE C[C@H]([C@@H](Br)c1ccc(I)c(Cl)c1)S(=O)(=O)N(C)C 2029075542 RRICVUOZKIHNII-RDDDGLTNSA-N 466.566 3.661 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](Br)CF)cc1Br 2032862932 YUNKAOTVKSWLOR-SSDOTTSWSA-N 467.980 3.531 50 10 JHGE O=C(CBr)c1c(OC(F)(F)F)cc(I)cc1[N+](=O)[O-] 2055245632 DNJPDLFYUMOTHL-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(OCC#N)cc1 2059028582 IDRDTZZZCAPUAX-HZHRSRAPSA-N 454.533 3.605 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1cccc(Br)c1Br 2097940848 GADULFBWZBMAHF-RKDXNWHRSA-N 455.972 3.884 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)C2 2162592310 SRFKYQCJXVGQKP-XIRDDKMYSA-N 459.406 3.648 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1(C)C 2163054142 UUHUNSJUQVNESE-MRXNPFEDSA-N 461.422 3.895 50 10 JHGE O=S(=O)(c1occc1CBr)N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2179832907 QHYIWIJESWXGFG-OALUTQOASA-N 453.402 3.850 50 10 JHGE C[C@]1(F)CN(S(=O)(=O)c2cc(CBr)oc2Br)C[C@@]1(C)Br 2205657069 XSGUBWRMQUAAIW-MNOVXSKESA-N 498.006 3.823 50 10 JHGE CC(C)Oc1cccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325886480 GXEIMKWXSDIGKP-IRXDYDNUSA-N 494.617 3.792 50 10 JHGE CCN1CC[C@H]([C@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2340027974 VBXGQAMYPJQOTK-VXGBXAGGSA-N 478.577 3.805 50 10 JHGE Clc1ccc(CN2C[C@H]3COC[C@@]3(CBr)C2)c(I)c1 2341052921 VORYQJHJZRBLQU-SMDDNHRTSA-N 456.549 3.788 50 10 JHGE NNC(=O)c1ccccc1CSc1cc(I)ccc1Br 2363642502 ANBWJNNXPVQSND-UHFFFAOYSA-N 463.138 3.950 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2364191843 XNYFSFCUHPGRLN-MVJPYGJCSA-N 497.455 3.715 50 10 JHGE COc1ncc(Br)c(C)c1COC1(CI)CCOCC1 2368206368 BQRFWPFKJQGKDN-UHFFFAOYSA-N 456.118 3.662 50 10 JHGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1 10672027 ZFNSEYFSRNNQOY-INIZCTEOSA-N 470.595 3.798 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)ccc1Cl 14039454 OBQMXPQBPDTTAK-UHFFFAOYSA-N 454.910 3.946 50 10 JHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)o2)sc2c1CCCC2 14150999 ASYYXQVYZWWWKK-FYWRMAATSA-N 455.536 3.779 50 10 JHGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14643345 BKQAGDZIYRPIQD-OAHLLOKOSA-N 476.371 3.889 50 10 JHGE COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC(C)=O)c(OC)c1 20310529 DIKVPDJYXIPWSP-WUXMJOGZSA-N 479.308 3.777 50 10 JHGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1)C(=O)N2CCC(C)C 38180404 LNGOQOSLCKAJPB-JVCXMKTPSA-N 478.593 3.899 50 10 JHGE COc1ccc(C)cc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40583998 VTQMHNGDSYGHLW-UHFFFAOYSA-N 473.287 3.965 50 10 JHGE O=C(/C=C\c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=S)NC1CCCCC1 97990382 BPCMPCDVRZMFTO-QINSGFPZSA-N 493.054 3.982 50 10 JHGE COc1cc(C(=O)NC2=N/C(=C(\C#N)C(=O)NC3CCCCC3)c3ccccc32)cc(OC)c1OC 102673548 AGEXOFVVVAQBOD-BSYVCWPDSA-N 488.544 3.586 50 10 JHGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)C(N)=O)cc2OC)cc(OCC)c1OCC 206416838 RXFRUYRPNVPDRL-YVLHZVERSA-N 454.479 3.503 50 10 JHGE CCN(C[C@@](C)(CI)OCCCOCCOC)C(=O)OC(C)(C)C 303853397 ZYXFNPXCPZMSPA-QGZVFWFLSA-N 459.365 3.507 50 10 JHGE CC(=O)OCC(=O)[C@]1(OO)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](OC(C)=O)C[C@]21C 504102484 OUZLVNAZQRKHBA-RRAILOOASA-N 492.540 3.535 50 10 JHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC#N)cc2)c2ccc(Cl)cc2)cc1 1084168346 NJYPBPWYRZQTDJ-UHFFFAOYSA-N 496.976 3.896 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=C(C)c1ccc2c(c1)OCO2 1084452323 SOLNSGOJZQBOEG-UHFFFAOYSA-N 463.563 3.611 50 10 JHGE CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 1540342819 NYTHWIWFBQQASS-SFHVURJKSA-N 450.491 3.609 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751154 JIRKQKJGMDHFEC-UHFFFAOYSA-N 479.537 3.829 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)/C=C/c3ccco3)cc2)cc1 1858676458 ITZAHXJKQZPCJO-KPKJPENVSA-N 482.543 3.693 50 10 JHGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865712471 ZKDVQTVMCNJDOS-QGZVFWFLSA-N 473.411 3.530 50 10 JHGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)[C@H](Cc1ccccc1)c1ccccc1 1865851422 BHRRZMXDLKNHLA-OAQYLSRUSA-N 486.597 3.511 50 10 JHGE O=C(CCl)c1ccc(OC(F)F)c(I)c1I 2060187416 LBYDWJFJVXYPPL-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE O=C(Cc1ccccc1I)N(CCBr)CC(F)(F)F 2087571322 BSOUDAMFUJKIMM-UHFFFAOYSA-N 450.036 3.620 50 10 JHGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2132362754 AXVJBZKFEJCDAG-IAGOWNOFSA-N 455.443 3.846 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146694693 RLRROHDMJIZWRJ-TVYUQYBPSA-N 467.983 3.979 50 10 JHGE Cn1nc([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)cc1Br 2150479472 VVBLGMYPBVNWLZ-CYBMUJFWSA-N 463.955 3.924 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1Cl)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179791992 ZORRTHJHOBKXQJ-ROUUACIJSA-N 469.832 3.987 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179862904 DKTIAJDSVAFLGY-PXNSSMCTSA-N 452.418 3.585 50 10 JHGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CC(SC(F)F)C1 2196691543 WLIZFCMUUOLDNZ-UHFFFAOYSA-N 451.152 3.673 50 10 JHGE Cc1cc(C(=O)N[C@H](C)c2nnc(CBr)s2)ccc1I 2207096926 MTTQEZGGWAMIQI-MRVPVSSYSA-N 466.142 3.837 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCCI)[C@]2(CCCOC2)C1 2214711511 LOPQCPOFJRGBSN-MAUKXSAKSA-N 452.377 3.740 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1ccc(Cl)c(I)c1 2283652767 ZLEJZDMHKQTWBD-NEPJUHHUSA-N 470.532 3.759 50 10 JHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 2313653173 YKCVZOYKIZTBHM-UHFFFAOYSA-N 482.787 3.525 50 10 JHGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314617885 CJUWODWPMKXAPJ-UHFFFAOYSA-N 483.484 3.686 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](CBr)C2(CCC2)C1 2364194279 DRWGQVZQNQTCDC-QGZVFWFLSA-N 497.455 3.670 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CCC(Cl)CC2)C1 2364217167 UFQLXFMAHMULJY-UHFFFAOYSA-N 453.004 3.656 50 10 JHGE O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 9054461 INCOXLKGLIVLIN-FYJGNVAPSA-N 497.866 3.932 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OC)c(I)c1 13980313 JJWARLDXIFNJPR-ZDUSSCGKSA-N 482.318 3.653 50 10 JHGE COc1ccc(C(=O)N2CCC(C(=O)NNC(=O)c3ccc(Cl)cc3)CC2)c2ccccc12 16884595 NCGASUWGQTUAQE-UHFFFAOYSA-N 465.937 3.815 50 10 JHGE COc1cc2c(c(OC)c1C(=O)OCCl)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2 38600471 ZSPDEGWRRUIQQA-INIZCTEOSA-N 477.966 3.929 50 10 JHGE in-vitro CCOC(=O)c1sc(NC(=O)N/N=C/c2cc(OC)ccc2OC)c(C(=O)OCC)c1C 40840271 JVXDMCJLVGWQJA-SSDVNMTOSA-N 463.512 3.583 50 10 JHGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OCC)c1 40867360 GYHKESLIMADTNU-NBVRZTHBSA-N 476.485 3.537 50 10 JHGE C[C@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21 59146903 DFBCMRHXLAFMLI-PMULYYKTSA-N 450.608 3.661 50 10 JHGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2ccc(OCCN3CCOCC3)cc2)s1 96438597 XHNYIHCXXDWKFZ-CYVLTUHYSA-N 483.590 3.744 50 10 JHGE C[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)[C@@H](C)CBr 167746711 TXCPJAWTJKHKDW-YUMQZZPRSA-N 464.017 3.909 50 10 JHGE COc1cccc(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1OCc1ccccc1 254834930 VUVBIEMCCUUGHV-UHFFFAOYSA-N 450.407 3.855 50 10 JHGE CCSc1sc(CC)c(C(=O)O)c1C=NNC(=O)c1cc(OC)c(OC)c(OC)c1 254842279 AQRQVQXSTYCDHW-UHFFFAOYSA-N 452.554 3.910 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745007 OKNPVRGBNUWEDJ-UHFFFAOYSA-N 476.445 3.948 50 10 JHGE CCOC(=O)c1cc(OC(F)(F)F)c(CBr)c(I)n1 1848387799 WGWPXRBOYSHKPU-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE COc1ccc(C(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)c(OC)c1 1858696058 VUVUZYHGGXWEQH-UHFFFAOYSA-N 453.407 3.880 50 10 JHGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc(Br)c1O 1865688558 VCXNGJIDJQIFCD-LLVKDONJSA-N 459.222 3.524 50 10 JHGE COc1ccc(-c2ccc(C(=O)N/N=C(/C)c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)c(C)n2)cc1OC 1865763244 BSRUHPCDJZCYPD-AZGMEOBCSA-N 488.544 3.972 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)Cc4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1865852500 ZCKNVXWAAHVDIR-RYUDHWBXSA-N 493.416 3.841 50 10 JHGE O=[N+]([O-])c1cc(Br)c(OCCI)c(Br)c1 1934755689 KELXKLZIESWRRT-UHFFFAOYSA-N 450.852 3.934 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](O[C@@H]2COC3(CCCCC3)C2)C1 2017996777 YWPGIMPJHUBSAY-KKUMJFAQSA-N 451.345 3.918 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1sccc1Br 2023039172 HOFNQMXMRGVWQE-VXNVDRBHSA-N 452.177 3.639 50 10 JHGE COC[C@H](CCBr)NC(=O)c1ccc(Br)cc1I 2086147707 QMBULGLLCSAQKV-VIFPVBQESA-N 490.961 3.584 50 10 JHGE C[C@H](Br)c1ccccc1NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108247122 ZDPITNSAEBPCJO-RNODOKPDSA-N 483.359 3.909 50 10 JHGE COC[C@@](C)(CCl)CNC(=O)c1ccc(Br)cc1I 2142281480 QUGLMLMXZBUQJT-ZDUSSCGKSA-N 460.537 3.675 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2CCC[C@]2(CBr)C1 2159409829 SBCUODTXJYFEEX-ABAIWWIYSA-N 450.114 3.634 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 2177849240 PJJVLVNXPNRIAG-OYHJMPOTSA-N 465.531 3.519 50 10 JHGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CCBr)cc2)CN1Cc1ccccc1 2179775005 IYYXOOZSMRSREH-XLIONFOSSA-N 451.430 3.908 50 10 JHGE C[C@@]1(CCl)COCCN(C(=O)c2cc(Br)ccc2I)C1 2199826909 FVYOFWMQNPHZTH-AWEZNQCLSA-N 472.548 3.771 50 10 JHGE O=C(N[C@@H]1CC[C@H]1CBr)c1cc(Br)ccc1I 2213318523 OWUXKIAIMJFQMS-WRWORJQWSA-N 472.946 3.957 50 10 JHGE Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@H](C)Br)cc1I 2232839041 OTGYMKPGAYIWQF-AAEUAGOBSA-N 452.130 3.614 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1ccc(CBr)cc1 2234683636 XJPMDYVQGUIOKJ-IYBDPMFKSA-N 459.406 3.744 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)C(F)(F)C1 2256386889 DOXKOKAECWLWCV-VIFPVBQESA-N 450.448 3.799 50 10 JHGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 2301022530 ZSVBXQOCCCODSO-GFCCVEGCSA-N 479.600 3.841 50 10 JHGE CCCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 2320479849 QMOSMCRKWVWUGO-OAHLLOKOSA-N 468.579 3.531 50 10 JHGE CC[C@H]1[C@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338839377 AREZTOMNYRIUOC-LPHOPBHVSA-N 485.444 3.668 50 10 JHGE O=C(c1cc(I)sn1)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2344150624 SODRAHNHMASDPG-XRGYYRRGSA-N 469.064 3.678 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](CCl)C2 2364213274 FYZMJVPUYCOBHO-NNZMDNLPSA-N 453.004 3.655 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2CC[C@H](Br)[C@@H]1C2 2364214949 QOWYAWYOKCXVJV-UXPWSPDFSA-N 497.455 3.811 50 10 JHGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(OCc2ccccc2F)cc1 8574717 ROXWASPJNMSECQ-UHFFFAOYSA-N 485.479 3.537 50 10 JHGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccc(Cl)cc1 14668705 SESQYEKIXNHNLU-UHFFFAOYSA-N 484.803 3.768 50 10 JHGE CCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OC 40950482 UBJUYUULUAHCTH-YRUQMEDHSA-N 464.518 3.772 50 10 JHGE COc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OC 40995037 DBAFLUSJXDWIKF-XDHOZWIPSA-N 452.507 3.682 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2ccc(F)cc2)nnc1-c1ccccc1Br 58989203 VQRFALPHLZSXRQ-FSJBWODESA-N 477.363 3.583 50 10 JHGE COc1cc(/C=N\NC(=O)c2sc(N)nc2C)cc([N+](=O)[O-])c1OCc1ccccc1C 169888424 MJRGUOJABCJAED-RMORIDSASA-N 455.496 3.602 50 10 JHGE C[C@@H]1CO[C@H](CCl)CN1C(=O)c1cc(Br)ccc1I 235291444 MMERLGFNAIROTK-PSASIEDQSA-N 458.521 3.522 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(F)c(Br)c(F)c2)cc1 1216395223 JSBYGUZQPMEKLQ-SNVBAGLBSA-N 456.243 3.550 50 10 JHGE C=C(C)C[C@H](NC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC 1557937070 CYVDJXFWIBNEOD-QHCPKHFHSA-N 453.655 3.577 50 10 JHGE C=CC(=O)NCc1ccc(C(=O)NNc2c(Br)cccc2Br)cc1 1626143491 HBGKQXGZEUEJCM-UHFFFAOYSA-N 453.134 3.771 50 10 JHGE Cc1c(C(=O)N=c2cc[nH]cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744669 ZWATZUUTNSNVPF-UHFFFAOYSA-N 467.323 3.890 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)CCC3CCCCC3)c(=O)c2c1-c1ccccc1 1860770151 VNLUPNJBABDWAU-UHFFFAOYSA-N 452.580 3.941 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NCC1CC(Br)C1 1887793813 MUCNFZGSCJFYSE-UHFFFAOYSA-N 455.972 3.880 50 10 JHGE BrC[C@H]1[C@H]2CN(c3ncc(I)cc3Br)CC[C@H]21 1911284604 UTIBEYSBLIHTJJ-AEJSXWLSSA-N 471.962 3.916 50 10 JHGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)CCCOCc1ccccc1 1916364723 OWNRJHZRPSINSQ-NRFANRHFSA-N 470.429 3.835 50 10 JHGE BrC[C@@]12C[C@@H]1CN(c1ncc(I)cc1Br)C2 1988534885 QDFNQNLQHNGSMW-RDDDGLTNSA-N 457.935 3.670 50 10 JHGE O=C(N[C@H]1C[C@@H](CBr)C1)c1ccc(Br)cc1I 2026212393 SRMVRJKYIYFNQW-OTSSQURYSA-N 472.946 3.957 50 10 JHGE CO[C@H](CCBr)CNC(=O)c1cc(Br)ccc1I 2049496817 XJXOTNKGEIMURU-SECBINFHSA-N 490.961 3.584 50 10 JHGE Cc1c(C(=O)CBr)ccc(I)c1I 2060155687 YFLFKOFJMIIFJX-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE O=C(c1ccccc1I)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2163351972 BUGXZVFXYMLLEU-WPRPVWTQSA-N 462.047 3.937 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@@H](CBr)OCC12CC2 2183978924 RJPMKHQMBLVSDP-SECBINFHSA-N 467.983 3.980 50 10 JHGE CN(C)c1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 2295482996 OYJBPVPTROXGMU-UHFFFAOYSA-N 455.562 3.740 50 10 JHGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@H]2CCCO2)c1C 2296543506 IPJYGMMYTVJXSD-HXUWFJFHSA-N 458.518 3.614 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1OC 2313601858 FDRJDUGOMULJSM-UHFFFAOYSA-N 459.502 3.739 50 10 JHGE CCN1C(=O)C(=CNc2c(Br)cc([N+](=O)[O-])cc2Br)C(C)=C(C#N)C1=O 2314585859 XYNFWNNWRYAJJJ-UHFFFAOYSA-N 484.104 3.644 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)CC1 2321873984 RTGCMRHFQZQVDV-NRFANRHFSA-N 493.692 3.727 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCOC[C@@H]1CCBr 2340057006 KCIXNNJKXRAONB-JTQLQIEISA-N 458.521 3.571 50 10 JHGE Cl[C@@H]1C[C@@H]2CN(Cc3ccc(I)c(Br)c3)CCN2C1 2349829152 NCMQWEBTDDVDGP-VXGBXAGGSA-N 455.565 3.551 50 10 JHGE C=CC[C@]1(CBr)CCCN1C(=O)c1c(Br)c(Br)nn1C 2364229572 BVMLETJKJMJXPL-CYBMUJFWSA-N 470.003 3.891 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)[C@@H]1C(F)(F)F 2377536732 YTHOFZFOUMOGII-DSZLRUIBSA-N 459.303 3.535 50 10 JHGE COc1c(OC(=O)CCl)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2 31424940 KXBYMXNKGWHCBS-INIZCTEOSA-N 477.966 3.721 50 10 JHGE COP(=O)(OC)O[C@H](Br)C(Br)(Br)Br 31600332 NNJOGRJSKIPHRS-VKHMYHEASA-N 469.686 3.963 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1 38650177 WBPQSUFGEUHQDB-RUZDIDTESA-N 458.470 3.906 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)[C@H](C)Sc2ccccn2)cc1 59148725 RZZYZWUPGZPVTK-SYXCRGJESA-N 455.561 3.789 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccc(C(=O)O)cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384956 ZAQXXSGJHRYIDR-WFBSDAATSA-N 463.346 3.635 50 10 JHGE N#C[C@@H](C(=O)N[C@H](N)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97983084 IWPMAYXJQROQAI-UNMCSNQZSA-O 491.766 3.644 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)c1sccc1Br 232877438 CIKBIBQXMHLXCF-UHFFFAOYSA-N 470.046 3.728 50 10 JHGE NNC(=O)c1ncc(COc2c(Br)cc(Br)cc2Br)s1 711351084 VTKODUASODEFOV-UHFFFAOYSA-N 485.983 3.613 50 10 JHGE O=C(NNC(=O)c1cccc2cccnc12)c1ccc(I)cc1Cl 728022350 BALHINXEOSIZDU-UHFFFAOYSA-N 451.651 3.568 50 10 JHGE O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 731185986 FTKBWDJAQYOZFW-FTJBHMTQSA-N 499.592 3.883 50 10 JHGE CC(=NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1c(C)nn(-c2ccccc2)c1C 746488846 MLBLYIIWUMJEPM-UHFFFAOYSA-N 473.558 3.691 50 10 JHGE C=CCOc1ccccc1C=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 916256939 ZXDZMFBDFSAANE-UHFFFAOYSA-N 465.531 3.825 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(CCN3CCCCC3)cc2)cc1 1310172947 WREONFVXQIKUAD-IBGZPJMESA-N 452.555 3.538 50 10 JHGE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C 1525049898 GUNKWVWGJBZYBK-FYJGNVAPSA-N 452.507 3.788 50 10 JHGE C[C@H](C(=O)NNC(=O)C(c1ccccc1)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771853 JOLGEUWQXZSCFK-QGZVFWFLSA-N 486.597 3.877 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](Br)[C@H](F)C2)cc1Br 1888471079 ZLVHWXOUTKZWHL-VHSXEESVSA-N 479.991 3.626 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC([C@H](F)CBr)C1 2048038019 DGEIFIKQAZUDHS-SNVBAGLBSA-N 490.936 3.859 50 10 JHGE C[P@]1(=O)C[C@H](Cl)[C@H](NC(=O)c2cc(Br)ccc2I)C1 2121338826 VSIWADKFHKWUAA-NWJBQHJCSA-N 476.476 3.766 50 10 JHGE O=S1(=O)CC[C@@H]([C@@H](CBr)Cc2ccc(I)c(Cl)c2)C1 2142938725 AYTRKKIYMCESLS-GHMZBOCLSA-N 477.589 3.933 50 10 JHGE O=C(NCCSCCBr)c1cc(I)ccc1Br 2299186665 YGIIHOYPDRRUCZ-UHFFFAOYSA-N 493.002 3.912 50 10 JHGE COCCN1C[C@H](Cc2ccc(Cl)c(I)c2)[C@@H](Br)C1 2337218929 NTAXDQTWFURUSZ-RYUDHWBXSA-N 458.565 3.829 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NCCCC(C)(C)CBr 2338863886 PHFOTNMEQJEKAH-UHFFFAOYSA-N 460.008 3.876 50 10 JHGE CC(C)(C)OC(=O)N[C@@]1(C)CN(S(=O)(=O)c2ccc(CBr)cc2)CC1(F)F 2361989417 RPARYMBGXKHOMF-INIZCTEOSA-N 469.348 3.505 50 10 JHGE CC1(C)C[C@H](Cl)C[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364212862 AZCVXOXSDPUYSC-SJORKVTESA-N 455.020 3.949 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2)c(Br)c1 14649922 YKYAFGUODLVSJZ-UHFFFAOYSA-N 476.371 3.692 50 10 JHGE CCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 38180296 MYMULWCZXLNPIQ-SLMZUGIISA-N 470.957 3.526 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38688209 KLLMIMFYSOVOCC-PKTZIBPZSA-N 471.425 3.558 50 10 JHGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCC#N 58891679 LRRHSQZYMCTHRN-YNJLWJOVSA-N 460.328 3.714 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59884567 LBNXIEWGNMZCHM-ZMOGYAJESA-N 465.539 3.535 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598210 KWXMRHKCUITRLS-OVVQPSECSA-N 482.899 3.926 50 10 JHGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4cccc(Cl)c4)c(C)c32)cc1 101604240 YGBWCBDRTNFHQL-ZXVVBBHZSA-N 494.935 3.795 50 10 JHGE CC(CBr)(CBr)NC(=O)c1csc(I)c1 129464181 ZLVKXPZOJKEUTE-UHFFFAOYSA-N 466.964 3.631 50 10 JHGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CC1 727366621 OAKIZZVWOVUSQJ-UHFFFAOYSA-N 490.560 3.584 50 10 JHGE CC(/C=C\c1ccccc1)=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N 1084637665 ZOFJXYXDVBUJQV-LSWIJOBPSA-N 471.384 3.719 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 1176936989 CCUIMMPWJSNVPK-SFHVURJKSA-N 458.971 3.905 50 10 JHGE C[C@H](C(=O)Nc1cc(C(=O)Nc2ccc(SC#N)cc2)ccn1)N1C(=O)c2ccccc2C1=O 1860512991 BIWVANQMAIZHRD-CQSZACIVSA-N 471.498 3.530 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2C(=O)O)cc1 1865704479 WWXSTNABZHDMBX-MRXNPFEDSA-N 456.380 3.816 50 10 JHGE CC(C)(CI)CN=[S@](C)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1904650761 JRAAZDCCDMOQBD-ZAMGYDSWSA-N 458.406 3.945 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2C(F)(F)C2(F)F)C1 1985876593 DBHHIRHSJHJZCX-GFCCVEGCSA-N 453.214 3.861 50 10 JHGE CC1(C)CC[C@H](CBr)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089707480 OINPPEHYHCGMNR-MRXNPFEDSA-N 485.444 3.668 50 10 JHGE C[C@H](CCCCCI)NS(=O)(=O)c1cncc(Br)c1 2117894304 LGJLAXBBXWDONC-SNVBAGLBSA-N 461.163 3.506 50 10 JHGE CN([C@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(OCCBr)cc1 2179858575 QBHYXJYYBMKYJS-VQTJNVASSA-N 454.386 3.829 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H]2[C@H]1CBr 2335067254 LADSHICDNFXNPC-OASPWFOLSA-N 451.984 3.996 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@]1(C)CCC[C@@H]1Br 2338670114 MPWUUNBJUQEFED-MADCSZMMSA-N 457.992 3.629 50 10 JHGE Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822952 ZAALJZMSIYCFLK-WPWMEQJKSA-N 482.338 3.541 50 10 JHGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 40935780 VZUDLWRLUXSLFS-LDADJPATSA-N 452.422 3.786 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1 41014215 WGTIYLLJVPQGEL-XDHOZWIPSA-N 484.936 3.716 50 10 JHGE CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1Br 169924022 YJXLAHSEXALGBW-FOKLQQMPSA-N 459.275 3.913 50 10 JHGE CCc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254401959 CZUVLNFXNOSSAA-UHFFFAOYSA-N 475.501 3.574 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(OC)cc1 254502253 ZVYUYJZEWHNJKH-UHFFFAOYSA-N 493.472 3.750 50 10 JHGE CC(C)(C)c1ccc(C(=O)NCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1 254816804 QXIKRGSZXSWFFR-UHFFFAOYSA-N 482.584 3.824 50 10 JHGE CC(=O)N=C1C(=O)N([C@]2(C)C[C@H](N=C=O)CC(C)(C)C2)C(=O)N1[C@]1(C)C[C@@H](N=C=O)CC(C)(C)C1 257353275 QGBJKHLFSRPDNS-JSVJYBRWSA-N 485.585 3.542 50 10 JHGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(F)cc1Br 1543267806 VLTFUTSPFOIMSB-OAHLLOKOSA-N 458.328 3.599 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744430 VFUPNXWPTXMPFM-UHFFFAOYSA-N 464.909 3.787 50 10 JHGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711762 HPGVCDIMNRGGCX-NRFANRHFSA-N 497.870 3.930 50 10 JHGE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@H](CBr)C1)Cc1ccccc1 1984646493 RTQCEQYYTNOBIA-HSZRJFAPSA-N 494.499 3.972 50 10 JHGE CCOCCOCCO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2010594118 GCVDIRPUDKKMPX-KRWDZBQOSA-N 459.365 3.507 50 10 JHGE C=C(Br)CN(C)S(=O)(=O)c1ccc(CBr)c(Br)c1 2059388733 RMTZGMGPSPSDAZ-UHFFFAOYSA-N 462.001 3.873 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CCl)C[C@@H]2OCC[C@@H]21 2146685874 QRYARMLTLJXXCC-XDTLVQLUSA-N 470.532 3.665 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C2(CCC2)C1 2163055722 KOIOZTZBVSJAMX-HNNXBMFYSA-N 459.406 3.792 50 10 JHGE COc1ccc(CBr)cc1S(=O)(=O)N(C)[C@H]1CC[C@H]1OCc1ccccc1 2179858628 QWCBJUJLAGESFS-ZWKOTPCHSA-N 454.386 3.958 50 10 JHGE C[C@@H](Cl)C[C@@H]1COCCN1C(=O)c1cc(I)ccc1Br 2185317949 IDVHKHFUOSWHTD-MWLCHTKSSA-N 472.548 3.912 50 10 JHGE O=S(=O)(N[C@H]1COC2(CCC2)[C@@H]1Br)c1cc(Cl)c(Br)s1 2206487547 WFFGIPBQOKBOMU-IONNQARKSA-N 465.616 3.527 50 10 JHGE CC1(C)[C@H](CCl)OCCN1C(=O)c1ccc(Br)cc1I 2207267894 IMMGVCJOADNIPX-LBPRGKRZSA-N 472.548 3.912 50 10 JHGE Clc1cc(CN2C[C@@H]3CCO[C@@]3(CBr)C2)ccc1I 2231254857 NNYYKGXGMQUGTM-FZMZJTMJSA-N 456.549 3.930 50 10 JHGE COc1ccc(Br)c(CBr)c1OCc1nn(C)nc1Br 2236046460 RHJOKCCGMPHOBX-UHFFFAOYSA-N 469.959 3.823 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2CCO[C@]2(CBr)C1 2239902837 JAVBRKZXMMWKLQ-YMTOWFKASA-N 470.532 3.571 50 10 JHGE Cc1ccc(-n2c(C)nc(I)c2I)c(CCl)n1 2250043724 IFNAFJXZDBDBFR-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2255646822 YNOCWASBDBEYNK-UHFFFAOYSA-N 488.506 3.683 50 10 JHGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1ccc(I)c(Cl)c1 2279411206 UTGMZOYOEFQURK-ONGXEEELSA-N 472.548 3.865 50 10 JHGE COc1cc(C=C(C#N)C(N)=O)cc(Cl)c1OCCOc1ccc(Br)cc1 2297332463 HNFQPRDPAXMSGQ-UHFFFAOYSA-N 451.704 3.961 50 10 JHGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccccc1C(=O)c1ccccc1 2297348596 FVNQOUAFTMZPIX-UHFFFAOYSA-N 454.438 3.735 50 10 JHGE COc1cc(SC#N)ccc1NC(=O)NC=C1C(=O)N(CCc2ccccc2)C(=O)C(C#N)=C1C 2297465595 JXTIKGBIQMKDCF-UHFFFAOYSA-N 487.541 3.725 50 10 JHGE CC(C)CN(CCOCCI)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2306797371 UZZKTOBOMOOPMZ-INIZCTEOSA-N 454.393 3.796 50 10 JHGE CC(C)(C)OC(=O)N1CCC(C2CCN(CCOCCI)CC2)CC1 2326654939 SVRPGVNGKLGGGL-UHFFFAOYSA-N 466.404 3.797 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2336331612 KEUOAUDQVUQQEM-IYSWYEEDSA-N 469.064 3.678 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CCCC[C@@H]1CBr 2364228829 RKUWUWCGQIRAIW-RKDXNWHRSA-N 472.019 3.876 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1ccc(Cl)cc1I 2365586771 PPMURNYPXWFNBC-NWDGAFQWSA-N 470.532 3.759 50 10 JHGE Cn1cc(I)c(CN2CCC3(CCC(CBr)CC3)C2)n1 2367628049 XSGLAIUNXZDPAC-UHFFFAOYSA-N 452.178 3.802 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@](NCC2CC(Br)C2)(C(=O)O)C[C@H]1C(F)(F)F 2377458072 PMVHAOUEBHNBEA-SRFLYJQJSA-N 459.303 3.535 50 10 JHGE CO[C@@H]1CN(Cc2cc(I)ccc2Cl)[C@@H](CBr)[C@H]1OC 2380531552 QYBLVXRVVYWYDP-BFHYXJOUSA-N 474.564 3.554 50 10 JHGE O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13977264 MAFLUWGDXZFFMF-OVCLIPMQSA-N 468.554 3.693 50 10 JHGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 14647382 NKGRYWVGMJXEHF-UHFFFAOYSA-N 462.344 3.907 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCOC)c(Br)c2)cc1 14661563 SGRPCEGFGVEFSF-UHFFFAOYSA-N 492.370 3.678 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814783 AZXHBMHVXFWEKN-LGUFXXKBSA-N 477.477 3.732 50 10 JHGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NNC(=O)CC(C)C)cc1 101966773 DXFSXAXXEYXULV-RCCKNPSSSA-N 463.563 3.997 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccnc3)n2-c2ccc(OC)cc2)cc1 254791316 HGSICRBOCBLIRV-UHFFFAOYSA-N 474.546 3.589 50 10 JHGE COc1ccc(CSCC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 263628836 BRAFYPMVZQOYPJ-UHFFFAOYSA-N 491.613 3.816 50 10 JHGE COc1c(I)ccc(CBr)c1I 306640885 PZFMWRGPRCNGIQ-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)N1CCc2ccccc2C1 761396244 DNLXEQVGYXHJEV-VMTJQQBPSA-N 479.540 3.887 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1OC 1084643284 MCSQSSAESBXIEX-UHFFFAOYSA-N 472.589 3.786 50 10 JHGE CC(C)(C)OC(=O)N1CCCC[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 1260510835 SUPBKDMDGYXBFJ-MRXNPFEDSA-N 461.422 3.897 50 10 JHGE C/C(=C\c1ccc(Br)o1)C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 1566603623 WREOUOFBWKLHMC-CMDGGOBGSA-N 453.236 3.882 50 10 JHGE CCOC(=O)c1c(OC(F)(F)F)ncc(CBr)c1I 1848387595 GQXWCBORQHDBSP-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE C[C@@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772449 YUXQQNCTBXEQDR-NEPJUHHUSA-N 459.959 3.650 50 10 JHGE Cc1nc2scc(C)n2c1/C=N/NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860773017 NHBHZSMZWJRVAK-KTZMUZOWSA-N 462.560 3.601 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc(Br)c1O 1865689096 JUHXWNCXQUYGIP-IBGZPJMESA-N 467.323 3.935 50 10 JHGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)C1 1877586692 BPKWJAOGSLNCGH-HYZCUCDJSA-N 451.427 3.868 50 10 JHGE O=[N+]([O-])c1ccnc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078923746 IZGRDJGJXOTTBY-UHFFFAOYSA-N 476.978 3.694 50 10 JHGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cc(I)ccc1F 2113359197 ZAOAWQHJSLUUAK-NSHDSACASA-N 464.138 3.538 50 10 JHGE CC[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 2163052109 ZPHGRUAJOAAPNR-RDJZCZTQSA-N 461.422 3.895 50 10 JHGE O=S(=O)(c1cscc1Br)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2163289372 QJDWTYKVDSMBHA-RQJHMYQMSA-N 457.131 3.705 50 10 JHGE CC(C)(C)OC(=O)N[C@](C)(CNS(=O)(=O)c1ccc(CBr)cc1)C1CCC1 2202423806 VVFQDEXPIHEUQI-LJQANCHMSA-N 461.422 3.943 50 10 JHGE C[C@]1(CO[C@@](C)(CI)c2ccccc2Br)COCCO1 2237881962 JMHARAQRPOOZHF-CABCVRRESA-N 455.130 3.921 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CCl)C[C@H]2CCCC[C@H]21 2240733032 MOKCJXFJHPVGQJ-JTDSTZFVSA-N 453.004 3.511 50 10 JHGE CC(C)(CI)CN1CCO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 2306817481 ZOMLZCBAZBKZBN-GOSISDBHSA-N 452.377 3.550 50 10 JHGE COc1cc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1nccs1 2314488181 JVYSSTNZJFLORW-INIZCTEOSA-N 462.531 3.954 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314617707 VLULQHBEXATWBM-UHFFFAOYSA-N 469.457 3.678 50 10 JHGE COc1c(Br)cc(C=NNC(=O)c2cccc(N)c2)c(OC)c1Br 2323218772 KSVDRDJHVAPIAM-UHFFFAOYSA-N 457.122 3.575 50 10 JHGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccc(OC)c([N+](=O)[O-])c4)cc3[nH]2)cc1 2323720808 ICSBERWYIFXMGO-UHFFFAOYSA-N 459.462 3.843 50 10 JHGE COc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OC(=O)c1ccccc1 2328833124 DUOANRQBTZTIQA-NRFANRHFSA-N 469.538 3.914 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC1(CCBr)CCCC1 2338674661 RKMLSLXAZABISR-UHFFFAOYSA-N 457.992 3.773 50 10 JHGE O=C(c1ccc(Cl)cc1I)N(CCBr)C1CCOCC1 2381882091 QKSPDVLASUBBRB-UHFFFAOYSA-N 472.548 3.961 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14652927 DUPNRDVZYHULMG-UHFFFAOYSA-N 462.344 3.907 50 10 JHGE O=C(CCCCO)N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 59392350 RUNCDWLMERTJGM-PCLIKHOPSA-N 462.531 3.743 50 10 JHGE COC[C@H](CCBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 228302544 GWTUOKVUZAPOLS-VIFPVBQESA-N 494.043 3.598 50 10 JHGE C[C@@H](Br)CCNC(=O)c1cc(I)ccc1Br 235168953 GICSWGJZAOUIQN-SSDOTTSWSA-N 460.935 3.957 50 10 JHGE O=C(Cl)c1cc(OC(F)(F)F)nc(I)c1I 396177356 FRESHSGPOUINMH-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE C#CCOc1ccc(Br)c(C=NNC(=O)[C@@H](C)Oc2cccc3cccnc23)c1 725274193 MCJNEEKDBOHEQD-OAHLLOKOSA-N 452.308 3.927 50 10 JHGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1ccccc1)S(=O)(=O)c1ccccc1 1084255139 SORMAXQMGMNIJO-UHFFFAOYSA-N 451.548 3.739 50 10 JHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccnc2)c2ccc(C(C)C)cc2)cc1 1084428202 VEZJAZCPFJOWJL-UHFFFAOYSA-N 450.564 3.859 50 10 JHGE COc1cc(C=NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc(Br)c1O 1084475101 WZGTWSLVQGRZHE-UHFFFAOYSA-N 468.735 3.994 50 10 JHGE C=CCOc1ccc(CC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)cc1 1627108147 SYJHVXYVGAVYPP-AREMUKBSSA-N 455.558 3.568 50 10 JHGE C#CCn1ccc(CN(CCOC)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)n1 1639992278 TXHFWQJWVHPPGP-ULJHMMPZSA-N 455.562 3.814 50 10 JHGE COc1ccc2nc(/C=N/NC(=O)COc3ccc(C(=O)NC4CCCCC4)cc3)ccc2c1 1873497601 XYQCXRFZVCSCTN-JVWAILMASA-N 460.534 3.835 50 10 JHGE COC1CC(CBr)(NC(=O)c2cc(Br)cc(Br)c2)C1 1899800338 XSNARHKXTXAVDV-UHFFFAOYSA-N 455.972 3.884 50 10 JHGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cc(I)ccc1O 1916353651 GPZHCIXDTQYDPX-AWEZNQCLSA-N 459.711 3.893 50 10 JHGE CN(C(=O)c1cc(I)ccc1F)[C@H](CCBr)C(F)F 2122002081 DMXPXNFPDBMXEJ-SNVBAGLBSA-N 450.036 3.921 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CCl)C[C@H]2OCC[C@@H]21 2146685873 QRYARMLTLJXXCC-TVYUQYBPSA-N 470.532 3.665 50 10 JHGE CC[C@]1(CBr)COCCN1C(=O)c1ccc(I)c(Cl)c1 2169033647 PGJNALUWTJJGAZ-AWEZNQCLSA-N 472.548 3.961 50 10 JHGE O=S(=O)(c1ccc(OCCBr)cc1)N1CC[C@H](COCc2ccccc2)C1 2179859160 ZDVZNHLTVSDINA-SFHVURJKSA-N 454.386 3.688 50 10 JHGE O=C(N[C@H](CBr)CC1CCOCC1)c1cccc(I)c1 2195483021 OHXIKACMRLOWOB-AWEZNQCLSA-N 452.130 3.601 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@]2(CBr)C1 2277916428 NSOVYTFDCWCMBA-QMTHXVAHSA-N 451.984 3.998 50 10 JHGE N#CCOc1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313540753 RWUYOBYBAAYZJA-UHFFFAOYSA-N 451.324 3.607 50 10 JHGE O=C(C=Cc1cccc(F)c1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2330209318 HITFJRUINWRALA-UHFFFAOYSA-N 499.476 3.541 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CC2(CC[C@@H](CBr)O2)C1 2361878442 CRCMVBLMBZWIIA-JTQLQIEISA-N 467.983 3.980 50 10 JHGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 14650764 MOFVACPCBMPDQY-UHFFFAOYSA-N 450.289 3.857 50 10 JHGE CCCOc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 20449277 QMOSMCRKWVWUGO-ZXGJNYTGSA-N 468.579 3.531 50 10 JHGE O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)c1ccccc1I 20494661 KMUUNKGBCRIZQP-DNTJNYDQSA-N 452.635 3.815 50 10 JHGE C=CCn1c(SCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1cccnc1 58989642 JGEHHCIYOOIGMA-SSDVNMTOSA-N 457.357 3.531 50 10 JHGE COc1cc(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)c1OC 59304458 ZNRBMDIQODRPEQ-KEBDBYFISA-N 450.232 3.819 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccc(OC)c(OC)c1 252612712 IUWNQBWLCXMBPA-UHFFFAOYSA-N 480.594 3.644 50 10 JHGE CC(CC(=O)NCc1ccc(Cl)cc1)=NNC(=O)c1ccc(I)cc1 252614966 JOFXHWRETIHKSR-UHFFFAOYSA-N 469.710 3.757 50 10 JHGE COCC[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 305931365 OWULOYAMOKXSSO-VIFPVBQESA-N 490.961 3.584 50 10 JHGE O=C(NNC(=O)c1cccc2cccnc12)c1cc(I)cc(C(F)(F)F)c1 728024622 TURACRVZQRHKCS-UHFFFAOYSA-N 485.203 3.933 50 10 JHGE C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)CC(=O)N2C 728278472 HDGKRFJQLCAZAV-GFHXCNCHSA-N 464.529 3.767 50 10 JHGE C=C(CNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)c1ccccc1 1570075528 KLRFLIQFANKDNF-MOSHPQCFSA-N 459.937 3.815 50 10 JHGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1nc(C)n(C)c1Br 1915078058 LXECUSIBDFMUOF-CQSZACIVSA-N 479.238 3.855 50 10 JHGE O=S1(=O)C[C@H]2C([C@@H](Br)c3cc(Br)c(Br)s3)[C@@H]2C1 2006155295 VRTQJGIYVUPQAH-OJFKHTATSA-N 465.026 4.000 50 10 JHGE C[C@H](Br)C[C@@H]1CCCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2089706758 FZYPCWGQCVQJAD-IRXDYDNUSA-N 485.444 3.811 50 10 JHGE Cc1cc(S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)sc1CBr 2132370026 RZIZXRJYMONIQY-DLBZAZTESA-N 455.443 3.846 50 10 JHGE CCCN1CCC[C@H]([C@H](Br)c2ccc(I)cc2)S1(=O)=O 2145778351 PFNAGVCXFVBPCU-ZIAGYGMSSA-N 472.186 3.931 50 10 JHGE O=C(Cc1ccccc1I)N1CC[C@H](CBr)C(F)(F)C1 2146375876 SSPNOVQTJPXTJO-LLVKDONJSA-N 458.084 3.712 50 10 JHGE CC(C)[C@H]1CN(S(=O)(=O)c2cc(CBr)ccn2)CCN1Cc1ccccc1 2179818124 VPAFYVSFFWZPIE-LJQANCHMSA-N 452.418 3.508 50 10 JHGE CC(C)n1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)cc1CBr 2179858374 NRYALJWVSBWPLY-UHFFFAOYSA-N 454.434 3.861 50 10 JHGE CN(C(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC12CC2 2205858161 PNKKACWDXNQFMJ-MRXNPFEDSA-N 459.406 3.602 50 10 JHGE CO[C@H]1[C@@H](CBr)N(Cc2ccc(Br)cc2Br)C[C@H]1OC 2233350351 BWKKZMXNTXZGHH-MCIONIFRSA-N 472.015 3.821 50 10 JHGE CCOC(=O)[C@@H]1C[C@H](I)[C@H](OC2CCN(Cc3ccccc3)CC2)C1 2259462529 ILRATIYCPRYVDQ-NZSAHSFTSA-N 457.352 3.813 50 10 JHGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 2314777341 ZWZGNZINAHNFII-UHFFFAOYSA-N 482.449 3.863 50 10 JHGE CC[C@H](Br)CN(C1CC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338853841 ZZGLYBACLVQWBH-INIZCTEOSA-N 485.444 3.811 50 10 JHGE O=C(N/N=C/c1cc(Br)c(Br)o1)c1cncc(Br)c1 1234862 KPXXNJGYBHMAKO-FZSIALSZSA-N 451.900 3.726 50 10 JHGE COc1cccc(/C=N/NC(=O)c2ccncc2)c1OC(=O)c1ccc(Br)cc1 2950111 PITNOTVFPPNUQJ-ZMOGYAJESA-N 454.280 3.836 50 10 JHGE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 8766297 KQZGUXDWNMVYSU-YVLHZVERSA-N 487.519 3.546 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334020 TZTRBANAJFXKAS-UHFFFAOYSA-N 490.585 3.606 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 13976502 WARRMBWJKYRRCL-UHFFFAOYSA-N 478.412 3.904 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14665812 VFQNOLHMOUKHKD-KRWDZBQOSA-N 455.555 3.716 50 10 JHGE C#CCOc1cc(Br)c(/C=N/NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 58894244 ATMSISSJZMKEHL-RASHHNMQSA-N 489.366 3.832 50 10 JHGE COc1ccccc1N1[C@@H](c2ccccc2C)[C@@H]2C(=O)OC(=O)[C@H]2C12C(=O)c1ccccc1C2=O 105686703 KKLIRTQMIMJBBV-VJBWXMMDSA-N 467.477 3.699 50 10 JHGE COc1cc(/C=N\NC(=O)c2ccc3[nH]c(Cc4ccccc4)nc3c2)cc([N+](=O)[O-])c1OC 169925746 HQUIGYQAFIANNB-QFEZKATASA-N 459.462 3.843 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1OC 206735146 GMWCUMRJNUQNRO-UYRXBGFRSA-N 476.485 3.895 50 10 JHGE O=C(NN=Cc1cc(O)c(O)c(Br)c1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 1082988468 IFQWSEVNCIQSFY-FFKKEDQXSA-N 480.318 3.782 50 10 JHGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 1084288076 UIYVWTQMAHTXRO-KRWDZBQOSA-N 478.936 3.685 50 10 JHGE C#CCCCC(=O)NNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 1178772777 HNMAXWNOIKYEEF-AQTBWJFISA-N 453.340 3.715 50 10 JHGE COCCSc1ccc([C@@H](C)NC(=O)NNC(=O)c2ccc(Br)cc2)cc1 1318355088 RGNRXASKSOCHSK-CYBMUJFWSA-N 452.374 3.893 50 10 JHGE CCOC(=O)c1nc(OC(F)(F)F)cc(CBr)c1I 1848387631 JPGNYLGEYAYWBY-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CCOC(=O)c1c(OC(F)(F)F)cc(I)nc1CBr 1848387757 SQOCVUULLGBVED-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE C[C@@H](C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771882 KRKPEFGBPJODQE-CABCVRRESA-N 466.607 3.903 50 10 JHGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c(C)c1 1865851993 MOJAZMJENJSTRZ-UHFFFAOYSA-N 488.569 3.552 50 10 JHGE Cc1cccc(C(=O)N2C[C@@H](Br)[C@H](Br)C2)c1I 1910007557 VDHOQXIQSQKGDX-NXEZZACHSA-N 472.946 3.582 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1cscc1Br 2023039243 IXPYXLFSGOARCE-VXNVDRBHSA-N 452.177 3.639 50 10 JHGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1cc(Br)cc(Br)c1 2101337337 MQUASRXSVQZEKP-PELKAZGASA-N 455.972 3.741 50 10 JHGE C[C@H](CBr)N1CCN(Cc2ccc(I)c(Cl)c2)CC1 2142948429 ANGDAXJALCCYBO-LLVKDONJSA-N 457.581 3.846 50 10 JHGE CCn1cc(S(=O)(=O)N(C)C2CCN(Cc3ccccc3)CC2)cc1CBr 2179786185 WWCCZBAAGRIKTA-UHFFFAOYSA-N 454.434 3.688 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185295176 ZEZHWQBXLRYKKY-OASPWFOLSA-N 467.983 3.979 50 10 JHGE C[C@H]1COCCN1CCO[C@H](CI)c1cccc(Br)c1 2285516498 SVSPHYROYBXQMA-SWLSCSKDSA-N 454.146 3.663 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@]1(CBr)CO2 2295308515 YMIDCROBUIGAFP-TZMCWYRMSA-N 467.983 3.519 50 10 JHGE COc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 2295483058 VTVBPROMIOXDND-UHFFFAOYSA-N 487.516 3.591 50 10 JHGE C[C@@H]1CCCCN1C(=O)Cn1cc(C=C(C#N)C(=O)NC2CC2)c2cc(Br)ccc21 2313623906 HSVLVYZMKQCPAM-OAHLLOKOSA-N 469.383 3.990 50 10 JHGE CC(C)[C@H]1C[C@](C(=O)O)(N(C)C[C@@H]2C[C@@H]2Br)CN1C(=O)OCc1ccccc1 2326065862 BNYJDZKSESDIGN-UGNRZPKXSA-N 453.377 3.592 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2336332677 YSFJUZNFKNBPCD-SLTXQBBLSA-N 456.324 3.854 50 10 JHGE C[C@@H]1C[C@H](Br)[C@@H](C)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338841698 BDDFAPCWVNJAST-MDZRGWNJSA-N 485.444 3.667 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC2(CC[C@@H]1CBr)CC2 2364021139 YXSRGGTXSNFKQS-MRVPVSSYSA-N 470.003 3.725 50 10 JHGE COc1cc(/C=N/NC(=O)CSc2nc3scc(-c4ccc(C)cc4)c3c(=O)[nH]2)ccc1O 9716083 AMVUWEKWGNTXQL-YSURURNPSA-N 480.571 3.917 50 10 JHGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)c1 10671601 LRLKFDQYCXGMEQ-LBPRGKRZSA-N 480.384 3.584 50 10 JHGE COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 12403522 CBABTKMZDUTWOQ-KPKJPENVSA-N 461.356 3.995 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 13621162 UTQXGGCJTXJCON-YRNVUSSQSA-N 462.369 3.505 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C)c(Br)c1 13980554 LNDLILPXEMKZDC-ZDUSSCGKSA-N 478.412 3.986 50 10 JHGE COc1cc(OC)c(C=NNC(=O)c2ccccc2I)cc1Br 252462017 PETKYVHDKDDFCJ-UHFFFAOYSA-N 489.107 3.835 50 10 JHGE CCCCCn1c(O)c(C(=O)NN=Cc2cc(OC)c(OC)cc2OC)c(=O)c2ccccc21 254379877 YCPICSILBZNFAS-UHFFFAOYSA-N 467.522 3.687 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)c(C)n1-c1ccc(F)cc1 920475104 BHMPLUGXDSYYKA-XQNSMLJCSA-N 472.568 3.603 50 10 JHGE CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OC 1084193947 PTATUBPBWFJHPE-KRWDZBQOSA-N 482.318 3.662 50 10 JHGE CCOC(=O)Cn1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)c2ccccc21 1084484642 PYDNCXIPGAVUOC-QHCPKHFHSA-N 451.523 3.567 50 10 JHGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1O 1084489084 ITXGDIFCOZZFQY-UHFFFAOYSA-N 475.126 3.949 50 10 JHGE C/C(=C/C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1C(F)(F)F 1465303411 GRYOLVLGZHMHJU-YPKPFQOOSA-N 455.477 3.903 50 10 JHGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745066 QADPMULILLTVCJ-UHFFFAOYSA-N 466.582 3.803 50 10 JHGE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747954 WISVURXBBSLLOC-UHFFFAOYSA-N 460.490 3.826 50 10 JHGE Cc1ccc(S(=O)(=O)CCCC(=O)NNC(=O)c2ccc(-c3ccc(C)c(C)c3)nc2C)cc1 1865756358 UCXLCTOSFXIZDY-UHFFFAOYSA-N 479.602 3.997 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(-c3cccnc3)[nH]n2)cc1 1867157443 XBAYVSSNKFJKCG-QFIPXVFZSA-N 484.541 3.730 50 10 JHGE O=S1(=O)CC[C@@H]([C@@H](Br)c2sc(Cl)cc2I)C1 1900921013 ZUKXACPQLXGTHD-SVGQVSJJSA-N 455.564 3.877 50 10 JHGE O=C(NC[C@@H](Br)CF)c1ccc(Br)cc1I 1995285824 LDMWVVWEEQPOCF-ZETCQYMHSA-N 464.898 3.517 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC[C@H](I)C1 2084167311 ZMHKATBANFVLDI-ZETCQYMHSA-N 484.968 3.954 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC(CCBr)C2)cc1Br 2095988445 LXXXZDPTXHTASQ-UHFFFAOYSA-N 476.028 3.926 50 10 JHGE C[C@@H](Cl)CN1CCCN(c2ncc(I)cc2Br)CC1 2133380279 ZWFOBVSXQMVOCK-SNVBAGLBSA-N 458.569 3.588 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CC12CC2 2162589462 QMZNLKCCHOOEPP-OAHLLOKOSA-N 459.406 3.792 50 10 JHGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NC(=O)N1CCC(Br)CC1)CC2 2162879666 PUEPOXYJNQWLFI-UHFFFAOYSA-N 464.426 3.607 50 10 JHGE O=S(=O)(c1sccc1Br)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2163291215 BEBUUNJXZHILDS-NKWVEPMBSA-N 457.131 3.705 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2CNS(=O)(=O)c1ccc(CBr)cc1 2205602301 DSXWDPNPNSWZMS-UAGQMJEPSA-N 459.406 3.505 50 10 JHGE C[C@H](CCl)CS(=O)(=O)Nc1ccc(Br)cc1I 2217191096 QRWSBHCDJGFNQK-SSDOTTSWSA-N 452.539 3.670 50 10 JHGE Cn1ncc(-n2c(CCl)nc3cc(I)ccc32)c1I 2265311813 KSIGOCWNQYCQDP-UHFFFAOYSA-N 498.493 3.707 50 10 JHGE N#CC(=Cc1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12)C(=O)NC1CC1 2313623723 AVLBFBJEEZOMIZ-UHFFFAOYSA-N 469.383 3.992 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCCSCCCl)cc1Br 2335629497 DSMUJZCZUVFUPA-UHFFFAOYSA-N 451.633 3.770 50 10 JHGE CC(C)[C@@H](Br)C(C)(C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2340406114 LLLGQSAEFQOYAM-GOSISDBHSA-N 487.460 3.961 50 10 JHGE ClC[C@@H]1CO[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]12 2349830918 AHTGIVXNPLCJNP-SUNKGSAMSA-N 456.549 3.739 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370251165 NTLLYJHMRLNEJF-IONNQARKSA-N 457.131 3.990 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)NC1CCCCC1 12403367 PCMMMSGFDBXABP-UHFFFAOYSA-N 463.170 3.562 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1C 14040580 IYMZEHNEIORRMR-UHFFFAOYSA-N 475.545 3.941 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14040908 GFUYEELGUCRLND-UHFFFAOYSA-N 461.518 3.958 50 10 JHGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1OC 38658749 TVXPGLUXPPDXCD-XMMPIXPASA-N 458.470 3.906 50 10 JHGE Cc1c(C(=O)NNC(C)(C)C)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812956 UBCYBDVCDFKUHB-HZHRSRAPSA-N 461.360 3.854 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)c(Br)c2)cc1 40970574 VTLMNEBTFXDDNB-YSRGRYBESA-N 485.334 3.746 50 10 JHGE COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 97385227 COYCOKSAXUXOPJ-UHKUBQJDSA-N 450.476 3.586 50 10 JHGE COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1O 97729886 RLGGODTUIZYNKE-WYMPLXKRSA-N 468.853 3.979 50 10 JHGE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCSSCC1 757344053 ZSKUFFRQUGWIFQ-HXUWFJFHSA-N 472.588 3.592 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2cccc(Cl)c2Cl)nnc1-c1ccccc1O 1083912423 AWOFIJURGDSSJT-UHFFFAOYSA-N 465.366 3.694 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1084432742 JUXVGNLWLHSKCJ-UHFFFAOYSA-N 463.071 3.899 50 10 JHGE O=C(Cc1ccc(F)cc1)NNC(=O)c1c[nH]c2cc(Br)c(Br)cc12 1086979443 UICKNIFIRWOOFZ-UHFFFAOYSA-N 469.108 3.836 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccccc4Cl)c(=O)c23)cc1 1860770262 ACJHQABPCALPGI-UHFFFAOYSA-N 452.923 3.548 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705774 FPRILVJBDQNEDP-JOCHJYFZSA-N 467.485 3.875 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(OC)c(O)c(OC)c2)cc1 1865714442 KMLFYFZPOLTRTA-KRWDZBQOSA-N 488.422 3.841 50 10 JHGE CC(C)(CI)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1893391990 FFXROBBFELWNDH-UHFFFAOYSA-N 499.434 3.799 50 10 JHGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cnn(C)c1I 1915099358 SEXDZIAHWWZPSA-CYBMUJFWSA-N 476.156 3.841 50 10 JHGE C[C@@H](CCBr)NC(=O)c1ccc(Br)cc1I 1995285642 IXUDHGIDAMQFJP-ZETCQYMHSA-N 460.935 3.957 50 10 JHGE CC(N)=C(C#N)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 2053509379 RZJZKOLEPNPZRB-UHFFFAOYSA-N 462.506 3.536 50 10 JHGE O=C(N[C@H]1CCOC[C@H]1CBr)c1csc(Br)c1Br 2072947333 MWHRKDUARORXHE-SVRRBLITSA-N 462.001 3.803 50 10 JHGE CO[C@H]1C[C@@H](Cl)CN(C(=O)c2cc(Br)ccc2I)C1 2109024616 PBHRGYJREIVGHD-ZJUUUORDSA-N 458.521 3.522 50 10 JHGE O=C(N[C@H]1CCCN(CCBr)C1)c1c(Br)cccc1Br 2150490517 XDOXNEAAKSYVPB-JTQLQIEISA-N 469.015 3.801 50 10 JHGE Cc1cccc(C(=O)N2C[C@H](C)O[C@@H](CCBr)C2)c1I 2179377562 XJPBXERGNWXDMD-RYUDHWBXSA-N 452.130 3.614 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC([C@H]2CC2(F)F)C1 2179790010 YMUGQQFUUVOQQO-MRVPVSSYSA-N 451.152 3.681 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC2(C1)OCCC[C@@H]2Cl 2207269628 UVZRWTIRSTUURS-LBPRGKRZSA-N 470.532 3.666 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234726553 XPFHCYCWJYAJEH-HDICACEKSA-N 453.402 3.911 50 10 JHGE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1 2282681437 WUTJRMUGFODQLE-UHFFFAOYSA-N 496.504 3.930 50 10 JHGE C=CC[C@@]1(CCl)CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2287846938 QOVLWTMSEOSKMI-QFIPXVFZSA-N 453.004 3.678 50 10 JHGE Cc1ccc([N+](=O)[O-])cc1N1C(=O)CSC1=NNC(=O)COc1ccc2ccccc2c1 2297707538 VLEWKORSCYIIBT-UHFFFAOYSA-N 450.476 3.602 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c(Br)c1 14832271 ASAMYPOQOVVIDR-ZDUSSCGKSA-N 495.370 3.828 50 10 JHGE C=CCc1cccc(/C=N/NC(=O)[C@H](C)Nc2ccc(I)cc2C)c1O 20352602 IMCXAYFTOSLDGI-OFJBCHTGSA-N 463.319 3.984 50 10 JHGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(OC)c1 40868848 FFOUYIQEFRQMMY-LDADJPATSA-N 482.448 3.795 50 10 JHGE Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-] 40926483 ZOWWBRRXTJPDQJ-RQZCQDPDSA-N 476.401 3.847 50 10 JHGE C/C(=N\NC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccccc1 58990765 HRUZBZFHBWUFDY-OEAKJJBVSA-N 473.400 3.834 50 10 JHGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C(C)C)cc1 101783040 IOWHVXRTEAYHMM-HSBRJCCXSA-N 498.070 3.618 50 10 JHGE COc1ccc(CC(=O)N/N=C\c2cc(Br)c(OC)c(Br)c2)cc1 169901246 JCUPXKCRCIHDKJ-JMIUGGIZSA-N 456.134 3.922 50 10 JHGE C[C@@H]1[C@@H](CI)[C@@H](I)CN1C(=O)OCc1ccccc1 306899786 KQMMOIPNKCQRTM-RTXFEEFZSA-N 485.103 3.882 50 10 JHGE C[C@@H]1CCCCN1C(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782091271 FEVPQSPTLMGFLE-MCRQTXEHSA-N 465.941 3.968 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC#N)c(OC)c2)cc1 1084012328 QMFPLHFHFDAANS-LJQANCHMSA-N 490.354 3.723 50 10 JHGE CC(=O)N[C@@H](C(=O)NNc1ccc(F)cc1Br)c1cccc(Br)c1 1151570885 RTJYGYNOFKWDDV-OAHLLOKOSA-N 459.113 3.671 50 10 JHGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 1290198166 BUJNYZWBDZQZQF-SFHVURJKSA-N 453.967 3.908 50 10 JHGE Cc1nc(C)n(CCO[C@@](C)(CI)CNC(=O)OC(C)(C)C)c1C 2012484977 LXHSFLOACGOXSH-KRWDZBQOSA-N 451.349 3.543 50 10 JHGE O=C(CCl)c1c(I)cc(OC(F)F)cc1I 2060177305 XGQGJITVKIGQBP-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 2106989201 QSQLPJJPXMAIPX-KLHDSHLOSA-N 456.324 3.569 50 10 JHGE C[C@H](CBr)N1CCN(C(=O)c2cc(Br)sc2Br)CC1 2113066330 MRRQIZOXEFBDGC-MRVPVSSYSA-N 475.044 3.814 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CCBr)s2)[C@H](C)CN1Cc1ccccc1 2123240789 APSQZGWUYUBQTH-JKSUJKDBSA-N 457.459 3.969 50 10 JHGE O=S(=O)(CCCCBr)N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2123282119 GEQQXMRDXNCLSH-UHFFFAOYSA-N 453.393 3.725 50 10 JHGE C[C@@](CI)(OC[C@@H]1COCCCO1)c1ccccc1Br 2154011991 AJSOLNSTFRKQDZ-WFASDCNBSA-N 455.130 3.921 50 10 JHGE CC(C)(C)OC(=O)N1CC(N(C2CCC2)S(=O)(=O)c2ccc(CBr)cc2)C1 2163059722 VYOVDBORSYPLBE-UHFFFAOYSA-N 459.406 3.744 50 10 JHGE CN([C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 2169146148 CMYIEHMREFZHDY-MRXNPFEDSA-N 461.422 3.992 50 10 JHGE O=S(=O)(c1ccc(OCCCBr)cc1)N(Cc1ccccc1)[C@H]1CCOC1 2179829983 GXRUUPSKWCIWBD-SFHVURJKSA-N 454.386 3.830 50 10 JHGE C=C[C@@]1(CBr)COCCN1C(=O)c1ccc(I)c(Cl)c1 2199848590 NBLIGQNDFKSWDU-CQSZACIVSA-N 470.532 3.737 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCC(OCCBr)CC2)c1 2240910650 BWNRRJTWSKPUMJ-UHFFFAOYSA-N 452.130 3.616 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@H]1CCN(Cc2ccccc2)C1 2242049232 JUEUYIHGGFRPLY-PXNSSMCTSA-N 474.383 3.996 50 10 JHGE CCN(C[C@](C)(CI)OC[C@@]1(C)CCN(C)C1)C(=O)OC(C)(C)C 2253331006 JSHDASUDFREVTP-ROUUACIJSA-N 454.393 3.796 50 10 JHGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)s2)sc(C(=O)N(C)C)c1C 2295353416 VHRAMQIGUOXSDT-UHFFFAOYSA-N 482.381 3.915 50 10 JHGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 2297335811 GXNMHDUAOPXJEK-UHFFFAOYSA-N 465.428 3.739 50 10 JHGE CC(C)(C)OC(=O)NCC[C@H]1CN(CCOCCI)c2ccccc21 2326647095 MJEUCSNGYIAUMJ-HNNXBMFYSA-N 460.356 3.957 50 10 JHGE COCCN1C[C@@H](Br)[C@@H](Cc2ccc(Cl)c(I)c2)C1 2337218928 NTAXDQTWFURUSZ-NWDGAFQWSA-N 458.565 3.829 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2355843171 FIQRBHNPUVCLOZ-CGXNFDGLSA-N 455.462 3.866 50 10 JHGE O=S(=O)(c1cscc1Br)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361447903 DHZZOHLKPWEORM-IMTBSYHQSA-N 457.131 3.990 50 10 JHGE CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c(SC#N)c1C 8893050 BCRAEYCZQBQCEO-INIZCTEOSA-N 493.632 3.907 50 10 JHGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 10295771 RXGPQTXXMWPMPP-CYBMUJFWSA-N 464.385 3.884 50 10 JHGE COc1ccc(C(=O)N/N=C/c2ccc(Br)s2)cc1I 12573758 UFVVUDWFULOZBW-FRKPEAEDSA-N 465.110 3.888 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14040910 RHHLKQBHLQMRMY-UHFFFAOYSA-N 491.544 3.723 50 10 JHGE COc1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665565 OUJFWJWBPAORCH-UHFFFAOYSA-N 499.361 3.919 50 10 JHGE Cc1c(C(=O)N2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813705 NDILZXGSWQZAIP-LFVJCYFKSA-N 450.322 3.838 50 10 JHGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 59844794 ZJCNKPWCCOXZPE-AWEZNQCLSA-N 488.411 3.981 50 10 JHGE COc1ccc(OCC(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 254382050 ZEKPDEJQUMXFFE-GDJIYFAZSA-N 490.604 3.799 50 10 JHGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1O 263631698 NCMUFHMJOGNDNN-UHFFFAOYSA-N 474.542 3.651 50 10 JHGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cn1 382717388 LIEVKSYGOBGJPA-SJORKVTESA-N 452.292 3.877 50 10 JHGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(Br)cc1 1083900000 OXITVOUZFGZUMD-UHFFFAOYSA-N 478.412 3.699 50 10 JHGE COc1cc(CCNC(=O)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc(OC)c1OC 1084194487 UJCUKUHAKXYIBK-UHFFFAOYSA-N 485.540 3.828 50 10 JHGE O=C(NN=Cc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084393501 YFJDEPMJISKYLJ-UHFFFAOYSA-N 484.803 3.654 50 10 JHGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Br)cc1)O[C@H](C)C2 1318309125 ZAYQOSSYNJABOP-PZPSRYQVSA-N 459.340 3.736 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3F)cc2)cc1 1858665510 ZDNGJWQYDFZNET-UHFFFAOYSA-N 484.534 3.839 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Nc4ccc(Cl)cc4)c(=O)c23)C1 1860772452 YUXQQNCTBXEQDR-VXGBXAGGSA-N 459.959 3.650 50 10 JHGE BrCC(CBr)(Cc1ncc(I)cn1)C1CC1 1905208732 KHCILHQKOAXMAG-UHFFFAOYSA-N 459.951 3.810 50 10 JHGE Cc1nc(I)c(I)n1-c1ccc(CCl)nc1 1936400093 RWCJZQOLSAQITM-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE O=C(NC[C@@H]1C[C@@H]1CBr)c1cc(I)ccc1Br 2005982356 PQVZLGCQERRJKR-SFYZADRCSA-N 472.946 3.815 50 10 JHGE O=C(N[C@H](CBr)c1cccs1)c1ccc(I)c(O)c1 2119037607 FPEBDWFJCGNDLY-SNVBAGLBSA-N 452.111 3.924 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2121591466 IRTFPDRNHFHGGH-FJXKBIBVSA-N 474.012 3.755 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)N2CCC(Br)CC2)[C@@H](C(F)(F)F)C1 2163269093 HFYZHZGCNMCQMJ-AAEUAGOBSA-N 458.319 3.601 50 10 JHGE CC(C)[S@](=O)(=NC(=O)N1CCC(Br)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2183216422 OVDHVOJZVSYMRO-KUNJGFBQSA-N 466.442 3.852 50 10 JHGE COc1ccc(CNC(=O)C(C#N)=C2NC(=NC(=O)c3ccccc3F)c3ccccc32)cc1 2296532679 FHMYEVSYQXTTBI-UHFFFAOYSA-N 454.461 3.576 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCOCCI)CC1CC1 2306798673 HFXFOQAJLYIHQS-INIZCTEOSA-N 452.377 3.550 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1cccc(C)c1 2314795720 JUZBRAAFUMUGLT-UHFFFAOYSA-N 464.518 3.534 50 10 JHGE CC(C)(C)[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823023 WWZZTPHFPJBYFL-QGZVFWFLSA-N 473.433 3.572 50 10 JHGE CC(C)(C)OC(=O)NCC[C@@H](N(CCOCCI)C1CC1)C(F)(F)F 2326648851 RTTUCBFZOCNESK-CYBMUJFWSA-N 480.309 3.748 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)CC2(CCC2)C1 2364217680 VZANMIWJEGABHV-QGZVFWFLSA-N 497.455 3.812 50 10 JHGE O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1OC(=O)c1ccccc1)c1ccncc1 1435238 WLPAOOHBXDORRX-FSJBWODESA-N 469.251 3.735 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(Cl)cc3)cc2)c1 12502880 GZOJLFFNQVVPAD-UHFFFAOYSA-N 496.976 3.615 50 10 JHGE COc1ccc(C=NNC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)cc1 13108919 WQNALPSIFCCBKQ-UHFFFAOYSA-N 454.552 3.813 50 10 JHGE Cc1cccc(C)c1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 14668129 GTYXUUGFLXSBNL-UHFFFAOYSA-N 463.372 3.969 50 10 JHGE Cn1cc(C(=O)NNC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c2ccccc21 26938537 UILWJZMMAVVYQC-QFIPXVFZSA-N 471.517 3.531 50 10 JHGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1OC 33566545 MXEUKUOJHIRBCS-DHDCSXOGSA-N 491.569 3.632 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)c1 35079597 WOSQYHWHACHYAT-LSPINASFSA-N 488.496 3.692 50 10 JHGE Cc1ccc(Cc2nc(N3CCN(C(=O)CCl)CC3)c3c(C)nn(-c4ccccc4)c3n2)cc1 35912828 LQIKQJSAMNGIKG-UHFFFAOYSA-N 474.996 3.911 50 10 JHGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4cccc([N+](=O)[O-])c4)c3[N+](=O)[O-])sc2c1 40650511 KGXKAVRSSZKYBV-UHFFFAOYSA-N 466.439 3.712 50 10 JHGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1cc(Cl)ccc1Cl 217136047 URTLKADWJBXFGK-SSZFMOIBSA-N 459.333 3.886 50 10 JHGE COC[C@H](Br)CCNC(=O)c1cc(Br)ccc1I 230136397 QNSUQYVXLMBLSB-SECBINFHSA-N 490.961 3.584 50 10 JHGE Cc1ccc(OCCOCCOc2ccc(C=NNC(=O)CSc3nnc(C)s3)cc2)cc1 254482888 ZNNRWEHHJRNPDM-UHFFFAOYSA-N 486.619 3.872 50 10 JHGE Cc1cc(C=NNC(=O)CNC(=O)COc2ccccc2)c(C)n1-c1cc2c(s1)CCCC2 254815058 AMYQRTPCFXDEOC-UHFFFAOYSA-N 464.591 3.680 50 10 JHGE COc1cc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc(N(C)C)cc3)cc2)cc(OC)c1OC 1084150592 VPDMFTREWFDFJV-UHFFFAOYSA-N 476.533 3.795 50 10 JHGE O=C(CC(=O)NC1CCCCC1)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1084271650 BDLBORHRLLVTTM-UHFFFAOYSA-N 470.957 3.647 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772748940 ZNXDKSJEJYPUEB-UHFFFAOYSA-N 465.441 3.863 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccccc4C(F)(F)F)c(=O)c23)C1 1860771523 ZDODZLZWFBPFAO-VXGBXAGGSA-N 478.496 3.624 50 10 JHGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1 1866665445 PIJJPFOTGNXNEG-IBGZPJMESA-N 470.938 3.535 50 10 JHGE O=C(NC[C@@H](NC(=O)[C@H](Br)C1CCCC1)C(F)(F)F)OCc1ccccc1 2001993607 QNCAANGMTNHPLQ-HUUCEWRRSA-N 451.283 3.914 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Br)C(F)(F)C1 2034594681 BXEIGEAQBWWAEE-SECBINFHSA-N 494.899 3.908 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(O)c(Br)c1 2061268573 WEBOLWSAHHRKDC-UHFFFAOYSA-N 451.408 3.791 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2csc(Br)c2Br)C[C@@H]1Br 2067190860 HQZWXOIXQIQSQK-MHSYXAOVSA-N 462.001 3.944 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2ccc(Br)cc2I)[C@H]1Cl 2142284128 YMJLAPNBNHJOAR-WDEREUQCSA-N 458.521 3.568 50 10 JHGE CN(CCc1nccs1)S(=O)(=O)c1cc(CBr)sc1Br 2179791725 VOQPUZWABVSBPI-UHFFFAOYSA-N 460.238 3.725 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@]21CCC[C@H](CI)O1 2249364217 MXBLOYCOCPMASL-SUKQMUEJSA-N 451.345 3.679 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2OCC[C@@]2(CBr)C1 2278861833 KEUDLBYJCIKSBN-JOYOIKCWSA-N 474.012 3.899 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CCO[C@@]2(CBr)C1 2283665705 WXWSHMFYINACJV-HZMBPMFUSA-N 470.532 3.571 50 10 JHGE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325074934 SHZWBUHGBXVHEI-VFNWGFHPSA-N 493.692 3.725 50 10 JHGE COc1ccc(OCCNC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2325408211 MQSHOTGNVWTTOD-UHFFFAOYSA-N 477.302 3.623 50 10 JHGE C[C@H](Br)[C@@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2338675643 XZWGEJFWNVERCV-YUMQZZPRSA-N 457.992 3.723 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@@](CBr)(C2)C1 2357619366 ZSJPSKPRVQPHRC-ZHRRBRCNSA-N 497.455 3.526 50 10 JHGE C[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CC[C@H]1CCBr 2364025574 ZLDXMPQQPAJUOY-RKDXNWHRSA-N 472.019 3.828 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)C[C@H]1C(F)(F)F 2377563296 PMVHAOUEBHNBEA-CENBSLRLSA-N 459.303 3.535 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502746 AGVFIXQNXHSJJQ-UHFFFAOYSA-N 498.402 3.682 50 10 JHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1Br 14037135 OXXKYZBYTFUQAU-UHFFFAOYSA-N 494.411 3.515 50 10 JHGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041088 HUPQCOXQSAZQMM-UHFFFAOYSA-N 499.976 3.512 50 10 JHGE COc1ccc(CCC(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)c(O)c1 59158543 JFPHRGJWLRIWRH-PCLIKHOPSA-N 468.531 3.560 50 10 JHGE CCOC(=O)c1ccccc1NC(=S)N[C@H](NC(=O)C(Cl)Cl)C(Cl)(Cl)Cl 101118703 ILGCZURBGZDFDV-LBPRGKRZSA-N 481.616 3.766 50 10 JHGE CC1(C)C[C@@H](NC(=O)Nc2[nH]nc3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@](C)(CN=C=O)C1 170290058 NHLWKHFYKYKRSL-IQMFZBJNSA-N 460.579 3.745 50 10 JHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NC[C@@H]1CCCO1)[C@H]2Br 256019346 VTNCBLXOCIJVGT-CHPZLBCBSA-N 488.058 3.967 50 10 JHGE O=C(N[C@H]1CCCN(CCBr)C1)c1ccc(Br)cc1Br 384694937 JDFLZKKDGGNCCY-NSHDSACASA-N 469.015 3.801 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCN2CCc3ccccc3C2)c(-c2ccccc2)n1 914471485 DRINVQRPWIQUDD-JJIBRWJFSA-N 450.546 3.545 50 10 JHGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1 1084508904 SQMCIJRLGBCSCP-UHFFFAOYSA-N 482.606 3.718 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c1 1154050129 FHLBLUUOGJXLFQ-UHFFFAOYSA-N 455.543 3.834 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2c(F)cc(Br)cc2F)cc1 1667489854 AMFFCIZETKUQDU-JTQLQIEISA-N 456.243 3.550 50 10 JHGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(F)(F)F 1904653076 IAYMAOBHQIGACV-LLVKDONJSA-N 450.283 3.931 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(Br)ccc2Br)[C@H]1Br 1911026548 NUGMBUXXGAQSAV-GHMZBOCLSA-N 455.972 3.882 50 10 JHGE O=C(NCC1CCC(CBr)CC1)c1ccc(I)c(O)c1 1922689560 INZMCUAQXWYADY-UHFFFAOYSA-N 452.130 3.928 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCCC2(CCC2)[C@H]1Cl 1924818332 OSEKDNBGHOZPOF-APWZRJJASA-N 453.004 3.560 50 10 JHGE Cc1nc(I)c(I)n1-c1ccnc(CCl)c1 1936388159 JBFNTMLTIBTUCK-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE Cc1nc(I)c(I)n1-c1ccc(CCl)cn1 1936388407 LZPQDYYRAIWMTL-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@H](C)N1CCCC1)C(=O)OC(C)(C)C 2013717066 ZVYSHROCATWEEZ-MAUKXSAKSA-N 454.393 3.938 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CC2(C1)OCCC[C@H]2Br 2159655637 BNWCKTVLBPBHOR-LLVKDONJSA-N 467.983 3.980 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCN(CCCBr)CC1 2169923857 YYNORUWWWXQOSS-UHFFFAOYSA-N 469.015 3.754 50 10 JHGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccn([C@H]2CCCCO2)n1 2174001631 KJJFVLPDTZTTGL-IEBWSBKVSA-N 456.406 3.947 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1cc(Cl)ccc1I 2206483567 FHEXVILZVOVEFS-NWDGAFQWSA-N 470.532 3.759 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CCCC[C@]2(CCl)C1 2238804436 CFVRBQYFYSACFV-JTSKRJEESA-N 453.004 3.514 50 10 JHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)ccc1B(O)O 2268641186 APZGKYHVQAKVFZ-WXTAPIANSA-N 486.377 3.567 50 10 JHGE O=C(NC[C@H]1CC[C@@H](CCl)CO1)c1cc(Br)ccc1I 2279395778 LBVULIGJMKJYCV-GXSJLCMTSA-N 472.548 3.818 50 10 JHGE N#CC(=Cc1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1)c1nn(CCO)c(N)c1C#N 2297326821 NOKFIGBKERJXSY-UHFFFAOYSA-N 497.559 3.761 50 10 JHGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(OCC#N)c1 2297635214 LZDFGYJABFQZNN-UHFFFAOYSA-N 454.533 3.605 50 10 JHGE C[C@@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1Cc1ccccc1 2306408763 NJKHVAZBQRFITE-VGSWGCGISA-N 469.673 3.600 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1 2313739210 FVLNCVQNAADUGH-UHFFFAOYSA-N 491.569 3.521 50 10 JHGE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325074935 SHZWBUHGBXVHEI-YCRPNKLZSA-N 493.692 3.725 50 10 JHGE CCOc1ccc(-c2cc(C(=O)NN=Cc3cc(Br)ccc3O)n[nH]2)cc1OC 2376609 DGUZNTWXICNUDR-UHFFFAOYSA-N 459.300 3.716 50 10 JHGE CCCCCn1nc(C(=O)NNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c2ccccc2c1=O 10412318 YIYPAFIVDDKIKF-UHFFFAOYSA-N 491.523 3.775 50 10 JHGE CCn1c(NNC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)nc2ccccc2c1=O 11156252 JHMHZRIILJZNAK-NRFANRHFSA-N 463.582 3.612 50 10 JHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13978705 RLIAYZCVBYKXAI-RMKNXTFCSA-N 482.787 3.525 50 10 JHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 14657166 YPFMWAUVUGHGGK-UHFFFAOYSA-N 463.968 3.529 50 10 JHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814786 OHXLPKWTOCODSP-LGUFXXKBSA-N 461.478 3.652 50 10 JHGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 40969570 RRUHPWGNEQBARW-LICLKQGHSA-N 452.423 3.854 50 10 JHGE C/C(=N/NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc2c(c1)OCO2 58989998 WKWWFCMPZOJLHM-QQXSKIMKSA-N 472.530 3.691 50 10 JHGE O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc([N+](=O)[O-])ccc1O 59433212 IITUVRSWWDBCHG-AWQFTUOYSA-N 475.211 3.995 50 10 JHGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 101335234 QQWWBMRNAQVIKG-HYARGMPZSA-N 456.477 3.917 50 10 JHGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 254877015 UAKXSVOFTGDMSL-UHFFFAOYSA-N 473.514 3.845 50 10 JHGE Fc1ccc(-n2cnc(I)c2I)c(CCl)c1 309171556 PHCITNHFSFSCKI-UHFFFAOYSA-N 462.431 3.959 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C)[C@H](Br)C2)cc1Br 387606398 XFPUVZAHGLLHAS-GZMMTYOYSA-N 476.028 3.924 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ccncc2Br)C1 702866034 QBXJRELCWJNZJP-NSHDSACASA-N 490.055 3.598 50 10 JHGE CO[C@](C)(CBr)CNC(=O)c1cc(I)ccc1Br 705404891 LQEBQUYNCKVDIZ-GFCCVEGCSA-N 490.961 3.584 50 10 JHGE COc1ccc(C(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1OC 1083957890 OJLKBTKOXNVHNA-GOSISDBHSA-N 461.518 3.724 50 10 JHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3)S(C)(=O)=O)c2C)c(C)c1 1083986895 RQZVRMODDBPNMD-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccncc1 1084215349 WLOCEIIAIMSCAU-HNNXBMFYSA-N 455.975 3.756 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(Cl)c(Cl)c1)c1ccccc1Br 1084577355 XQMSKILCYCSFOY-UHFFFAOYSA-N 479.183 3.672 50 10 JHGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=O)c3cc4c(s3)CCCCC4)no2)c1 1135276145 XZRLVVRZEDUXBW-UHFFFAOYSA-N 453.520 3.861 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nc3ccc4scnc4c3s2)cc1 1210162551 PPDBMPHHGPOHJC-NSHDSACASA-N 455.521 3.729 50 10 JHGE C#CC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)C1 1299852273 FGKAJNTXFPSBOD-BWCLHNGZSA-N 457.534 3.650 50 10 JHGE CC(=O)N[C@@H](C(=O)NNc1ccc(C#N)cc1C(F)(F)F)c1cccc(Br)c1 1467404646 LMAPCASLFKLBCI-MRXNPFEDSA-N 455.234 3.660 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)CCSc1ccc(F)cc1)c1ccc(Br)cc1 1683507663 GKXZVKXYKSDIOB-QGZVFWFLSA-N 450.333 3.775 50 10 JHGE CCOC(=O)Cc1cc(CBr)nc(OC(F)(F)F)c1I 1848387817 XVHSEVYDZNLUDN-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695262 AXAABCIMZABYOL-KRWDZBQOSA-N 468.311 3.525 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(Br)ccc2I)[C@H]1Cl 1910986475 QYLAJWQEASTTFU-GHMZBOCLSA-N 458.521 3.568 50 10 JHGE O=C(N[C@H]1C[C@@H](CBr)C1)c1ccc(I)c(Br)c1 1942434704 WHPBJAVIVLCUQZ-OTSSQURYSA-N 472.946 3.957 50 10 JHGE Cc1nc(-n2cnc(I)c2I)sc1CCl 1960046249 HXLVEGVCLIXZSJ-UHFFFAOYSA-N 465.485 3.585 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2cc(Br)ccc2Br)C1 2109026008 YRGGQNSLKXNQTK-NXEZZACHSA-N 455.972 3.836 50 10 JHGE O=C(NC[C@H](Br)CC(F)(F)F)c1cccc(F)c1I 2119073817 PIWLFYUETHRFBO-ZCFIWIBFSA-N 453.999 3.876 50 10 JHGE O=C(c1cccc(Br)c1Br)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2148755166 XLQPTNLZYIAXQW-AXTRIDKLSA-N 467.983 3.979 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1cc(Br)ccc1Br 2178908084 UXYOVCSAYAKBCF-QWRGUYRKSA-N 469.015 3.751 50 10 JHGE CO[C@@H]1CN(Cc2c(Br)cccc2Br)[C@@H](CBr)[C@H]1OC 2233358041 ZICHPBWKTHVZPZ-BFHYXJOUSA-N 472.015 3.821 50 10 JHGE CN(Cc1ccc(I)cc1)S(=O)(=O)[C@H]1CC[C@@H](CBr)C1 2280263627 ZBDHQAKMHYCXSX-OCCSQVGLSA-N 472.186 3.616 50 10 JHGE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCBr 2293140495 NCBNMANRGIKJRT-UHFFFAOYSA-N 473.323 3.834 50 10 JHGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1 2295934306 ZISDZTJZUQORNO-UHFFFAOYSA-N 453.589 3.746 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1 2314737510 QHFVYEFDZHDMBM-UHFFFAOYSA-N 466.534 3.781 50 10 JHGE CCOc1cc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1OC 2325903753 CCZMSMCQSKNKCB-UHFFFAOYSA-N 462.531 3.683 50 10 JHGE COc1cc(C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)ccc1[N+](=O)[O-] 2326843833 VJDMPYGBXVARHW-UHFFFAOYSA-N 464.865 3.938 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CC[C@@H](Br)C1(C)C 2338670255 OCNWQVYVUOVSFP-RNFRBKRXSA-N 457.992 3.627 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CC2(CC[C@@H](CBr)O2)C1 2361996654 WECCXTQHGGBWLF-VIFPVBQESA-N 467.983 3.980 50 10 JHGE Cc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccccc4C)cc3)nc2s1 8603817 BMGDQOOXOZUDEG-WOJGMQOQSA-N 457.515 3.893 50 10 JHGE COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 12490590 YTJORJYEUDLIIR-MDWZMJQESA-N 455.308 3.851 50 10 JHGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)c1 14644858 UNMJVNGZTXDHCQ-UHFFFAOYSA-N 457.596 3.949 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc(OC)c1OC 38660470 TXPBYGBDHATUNX-RUZDIDTESA-N 488.496 3.915 50 10 JHGE COc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101341206 QOSWKGDCFWVRDV-CIAFOILYSA-N 478.476 3.569 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)c2ccccc2Br)C1 118671984 OZBFYPJREVISGZ-JTQLQIEISA-N 475.040 3.911 50 10 JHGE COc1cc(Br)cc(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2C)c1O 252593589 BLAUPXWGAWQWBE-UHFFFAOYSA-N 468.735 3.994 50 10 JHGE CC(=NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1cccc(OC(F)F)c1 254835389 DNVLZJQBCXLQAR-SFHVURJKSA-N 465.522 3.538 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CCOC[C@H]1CCBr 694944932 PEGBUPLRCNLBPA-SSDOTTSWSA-N 462.001 3.899 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c(-c2ccc(Cl)cc2)n1 743720643 GVUJIPBABOBTQQ-VNSJDZJPSA-N 498.974 3.941 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)NCc1ccccc1 761396567 GAHOCERRAJUURG-UQRWVXEISA-N 453.502 3.619 50 10 JHGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 1083954588 IAOUENNQRJEAQO-OQLLNIDSSA-N 477.258 3.774 50 10 JHGE CCCCOc1ccc(OCC(=O)NN=Cc2cccc(I)c2)cc1 1084201890 MKXGCVDQPVAFRJ-UHFFFAOYSA-N 452.292 3.999 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)cc1 1084534418 ZQEZDOJUMRHMFO-UHFFFAOYSA-N 482.606 3.636 50 10 JHGE CC[C@](C)(NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1ccc(SC#N)cc1 1866622065 KEVVKVZWDSLBOZ-DEOSSOPVSA-N 477.546 3.968 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(Cl)nn2)cc1 1867270181 KIFHRWXLXAFVLX-GOSISDBHSA-N 455.902 3.822 50 10 JHGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1OC 1872745455 NNTCTCNIVXMLNG-VKAVYKQESA-N 492.469 3.824 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCCOCCOCc2ccccc2)C1 1881765231 QKUSHEGANIRPJZ-ZWKOTPCHSA-N 491.366 3.659 50 10 JHGE Cc1cc(I)c(I)cc1C(=O)CBr 2060165484 XXVMPQZGWYRCBY-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE O=[N+]([O-])c1cc(I)c(I)cc1CBr 2060232290 YDUCWGYEPUUOMM-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE Brc1cc(I)cnc1N1CC2(C1)OCCC[C@@H]2Br 2069536053 PDENZZUVLHMTLQ-JTQLQIEISA-N 487.961 3.581 50 10 JHGE O=[N+]([O-])c1ccncc1-n1nc(CBr)c(I)c1C(F)(F)F 2078923551 DNXPPWFIZHPHHB-UHFFFAOYSA-N 476.978 3.694 50 10 JHGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)s1 2123241297 HOIDPXXOMYKCIX-KRWDZBQOSA-N 457.459 3.828 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2131196770 FAYDDZFCDJYELY-IRXDYDNUSA-N 455.443 3.581 50 10 JHGE C[C@H]1C[C@H](C)N(S(=O)(=O)c2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2164467096 ORTNIRZMNMBHGZ-GJZGRUSLSA-N 461.422 3.990 50 10 JHGE O=S1(=O)CC([C@H](Br)c2cc(Br)c(Br)cc2F)C1 2213487894 AUPWVDIVYINVAT-JTQLQIEISA-N 450.949 3.831 50 10 JHGE Cn1nc(Br)c(COc2c(F)cc(Br)cc2CBr)n1 2226991625 UFVLUDGPABWVON-UHFFFAOYSA-N 457.923 3.953 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2233854381 RLLOPZREXMTMJV-JTDSTZFVSA-N 497.455 3.524 50 10 JHGE O=C(NN=Cc1ccc(F)cc1)C1[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@@H]1c1ccccc1 2296654000 HLXKZEGHTCSHLV-BINWOUKTSA-N 485.559 3.948 50 10 JHGE N#CC(=CNc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2296800576 HDBAOXJLIARLJP-UHFFFAOYSA-N 458.956 3.612 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](Br)[C@H](Br)C1 2301786592 FOJSSPFEHHYVIU-RKDXNWHRSA-N 493.364 3.927 50 10 JHGE COc1cc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1nccs1 2314488182 JVYSSTNZJFLORW-MRXNPFEDSA-N 462.531 3.954 50 10 JHGE CC(C)[C@@H]1C[C@@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)CN1C(=O)OCc1ccccc1 2324772587 JLXYZKVPKMXLOZ-NTLWEQJWSA-N 453.377 3.640 50 10 JHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)C=Cc4ccc(Cl)cc4Cl)c(=O)c23)C1 2325893174 CXBQFRXIWSSKEA-LBPRGKRZSA-N 491.400 3.750 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC[C@H]2C[C@H](Br)C2)C[C@H](P(C)(C)=O)C1 2344197152 NGGZCVWYYNFDJQ-AJNGGQMLSA-N 451.342 3.524 50 10 JHGE CC1(C)CC(=O)C2=C(C1)N(c1ccccc1Cl)C(N)=C(C#N)[C@H]2c1ccc(S(N)(=O)=O)cc1 20568347 QDIROEUDABXMSF-OAQYLSRUSA-N 482.993 3.928 50 10 JHGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc21 38649975 YPYQBMMGBUCYTA-DEOSSOPVSA-N 473.441 3.806 50 10 JHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601565 XKQMEOBWHUGFCV-ZXVVBBHZSA-N 478.936 3.716 50 10 JHGE Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)c(C)c1 103696117 ZHEPVDMEBOEHPY-RVDMUPIBSA-N 452.565 3.575 50 10 JHGE CC1(C)CN(C(=O)c2cc(Cl)ccc2I)C[C@H](CBr)O1 232794359 KOQLJJCLMWLXAD-JTQLQIEISA-N 472.548 3.959 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccncc3)nnc2-c2ccc(C)cc2)cc1 254845516 DUMNKZNFMJYMRX-UHFFFAOYSA-N 458.547 3.889 50 10 JHGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(OC)c(O)c(OC)c1 1865714705 NZEXYTNFSRGQMM-HXUWFJFHSA-N 462.506 3.910 50 10 JHGE Cc1ccc(SCCCC(=O)NNC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1 1865755475 AGBHTHYIPFTKPI-UHFFFAOYSA-N 453.564 3.581 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC=C[C@H](Br)C1 2000853500 HTCVDEATQBPEMU-QMMMGPOBSA-N 470.930 3.829 50 10 JHGE C[C@](CBr)(NC(=O)c1cc(I)ccc1F)C(F)(F)F 2113356744 YCUFDODEOQEQDZ-SNVBAGLBSA-N 453.999 3.876 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@@H](Br)CCC12CCC2 2174540478 OMLLGJPUDZUGSA-NSHDSACASA-N 450.114 3.919 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179825929 MZKWOSHQKTUJPW-UWHLTILDSA-N 455.462 3.724 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[C@@H]1Br 2221685050 ZRZQRMXWZFWDRF-SNPRPXQTSA-N 476.209 3.785 50 10 JHGE CO[C@@H]1CN(Cc2ccc(I)c(Cl)c2)[C@H](CBr)[C@H]1OC 2233352717 FHZMZGXSEFKRBI-MGPQQGTHSA-N 474.564 3.554 50 10 JHGE CO[C@]1(C(F)F)C[C@H](CO[C@](C)(CI)CNC(=O)OC(C)(C)C)C1 2303391181 TWZUIHNLMRQFGE-LYRGGWFBSA-N 463.303 3.782 50 10 JHGE Cc1nn(C)c(Br)c1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303544350 BWFSWZCXIGEKLN-AWEZNQCLSA-N 459.182 3.591 50 10 JHGE COc1cc(C=NNC(=O)c2ccc3nc(Cc4ccccc4)[nH]c3c2)cc([N+](=O)[O-])c1OC 2323721297 HQUIGYQAFIANNB-UHFFFAOYSA-N 459.462 3.843 50 10 JHGE COCCCNC(=O)/C(C#N)=C\c1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O 2395202 OYEPMBQLRPBJOC-SSZFMOIBSA-N 452.898 3.508 50 10 JHGE Cc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 12489378 AVVUONSWQYOXKW-UHFFFAOYSA-N 464.385 3.595 50 10 JHGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1C 33563723 RIPUHNQFZAAHBK-ZDLGFXPLSA-N 455.511 3.630 50 10 JHGE Cc1cc(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)ccc1Br 40853069 HCHKVFKTZXKUAU-FBCYGCLPSA-N 487.104 3.663 50 10 JHGE C[C@H](Oc1cccc(C#N)c1)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 109040462 GPKYPHSADSAMDL-SFHVURJKSA-N 451.486 3.639 50 10 JHGE O=C(NN=C/C=C\c1cccc([N+](=O)[O-])c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254508949 CYNKMMBMMLPNOE-SMDVQHEJSA-N 484.468 3.910 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1cccc(C(F)(F)F)c1 725758620 FVLIBIPFSFBXNI-CPNJWEJPSA-N 494.539 3.562 50 10 JHGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1cccc(O)c1 1084452879 MIJGFEZMASXCSJ-UHFFFAOYSA-N 458.547 3.827 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nc(COc3ccccc3)cs2)cc1 1467100016 LYKNVHZEWVSFPW-HNNXBMFYSA-N 454.508 3.545 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccc(Cl)cc1F 1686922173 BVLHYEABCOJFEF-CQSZACIVSA-N 455.273 3.860 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(Br)o3)c(C)n2)cc1OC 1865758115 JTOBJCHKYFTHED-UHFFFAOYSA-N 460.284 3.505 50 10 JHGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866214139 TVOMKAKXUSJTKI-LTGZKZEYSA-N 495.576 3.891 50 10 JHGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@@H](Br)C1 1893137161 PEJLUHTVEOQLBA-NRSFXHEJSA-N 455.393 3.775 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2C[C@@H](n3cccn3)C2)C1 2063779525 CONKYJLNLFTMQA-RVKKMQEKSA-N 461.344 3.808 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@@](CBr)(C(F)(F)F)C1 2120026168 NEDLGYJNOLNGAT-VIFPVBQESA-N 469.064 3.537 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1Cl)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2123211407 WBVBXKOQFPZTJU-SJORKVTESA-N 455.805 3.882 50 10 JHGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)CCC(F)(F)CBr 2123364352 WEQOFODZXWEINA-QGZVFWFLSA-N 453.393 3.581 50 10 JHGE Cn1ncc(Br)c1-n1c(CCCl)nc2cc(I)ccc21 2155770929 LEHJWZWUVPGILA-UHFFFAOYSA-N 465.520 3.907 50 10 JHGE C[C@H](Cl)C[C@@H]1CCCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2164503272 UHODJQKMCXUSLO-QYWGDWMGSA-N 458.983 3.603 50 10 JHGE O=C(c1cc(I)ccc1F)N1CCC(F)(F)[C@@H](CBr)C1 2169668416 PTWUGKARYRFHRG-QMMMGPOBSA-N 462.047 3.923 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F 2192281057 APFWIFUMCHPWRJ-QMSLJYSESA-N 451.152 3.537 50 10 JHGE COCCN(CCCCCI)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2214705572 UTLZJUMVOAEYAU-INIZCTEOSA-N 454.393 3.940 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccccc3Cl)nc12 2296542700 BCNSRFGRHCGSGT-QGZVFWFLSA-N 464.909 3.651 50 10 JHGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccc2c(c1)OCO2 2324860934 SIHYYGCLCQAUNB-UHFFFAOYSA-N 480.568 3.846 50 10 JHGE CCCOc1ccccc1C=CC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325886505 MLNVXXXJBZHRCW-IAGOWNOFSA-N 494.617 3.793 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(Br)C2 2338851760 HGPRUKKPXILVTO-IRXDYDNUSA-N 483.428 3.563 50 10 JHGE CN(CC[C@H](Cl)c1cccs1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2366248125 PNNRHVNSLCUJGV-OXJNMPFZSA-N 472.991 3.704 50 10 JHGE Cc1cc(C)n2nc(C(=O)N/N=C/c3ccccc3OCc3cccc(Br)c3)nc2n1 1497838 NWKGVWFRFRADKE-WYMPLXKRSA-N 479.338 3.847 50 10 JHGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 14664633 BPLOUQLGKMQLNL-UHFFFAOYSA-N 463.559 3.855 50 10 JHGE COc1ccc(-c2nc(C)c(C(=O)NNC(=O)c3cn(C)c4ccccc34)s2)cc1OC 16498445 RIJZDSIWBURVAE-UHFFFAOYSA-N 450.520 3.702 50 10 JHGE COc1cc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 27497230 SGCAQBNTBIXTAB-OPEKNORGSA-N 465.491 3.770 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C\c2cccc3ccccc23)c(C)c1 34983979 UFFLQTABYKVBPD-QBFSEMIESA-N 474.586 3.911 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38688205 KLLMIMFYSOVOCC-DHIUTWEWSA-N 471.425 3.558 50 10 JHGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657802 QLBBRHKYLBDRNB-UHFFFAOYSA-N 496.698 3.859 50 10 JHGE NNC(=O)c1ccc(COc2c(Br)cc(Br)cc2Br)nc1 128283939 QTMVOHIVTNBWQL-UHFFFAOYSA-N 479.954 3.552 50 10 JHGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc(-c2ccccc2)cc1 254506369 YQRVUCIXJMHWFG-UHFFFAOYSA-N 470.518 3.782 50 10 JHGE Cn1cnnc1C1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 915192964 AGYHUUUMAYAPOU-CPNJWEJPSA-N 474.956 3.559 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cccc([N+](=O)[O-])c1 1084599839 ZLLTWSGJLBCMMM-UHFFFAOYSA-N 457.078 3.649 50 10 JHGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711688 FUUFMNYGWOMILY-NRFANRHFSA-N 479.880 3.791 50 10 JHGE CCC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1ccc(SC#N)cc1 1866621245 ZODBUAHIXICVOA-LJQANCHMSA-N 477.546 3.968 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2ccc(Br)cc2Br)[C@@H]1Br 1911025754 JFTVTFUKZMYQCK-MNOVXSKESA-N 455.972 3.882 50 10 JHGE BrC[C@@H]1[C@@H]2CCN(c3ncc(I)cc3Br)C[C@@H]12 2015768525 UTIBEYSBLIHTJJ-IVZWLZJFSA-N 471.962 3.916 50 10 JHGE CN1CCC[C@H]([C@@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2089534754 HSNZJQOJKACDJI-NEPJUHHUSA-N 478.577 3.758 50 10 JHGE O=S(=O)(c1ccc(CBr)s1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2123268248 KYUPSPRFGZASDO-IAGOWNOFSA-N 455.443 3.786 50 10 JHGE CO[C@H]1C[C@@](CCl)(NC(=O)c2ccc(Br)cc2I)C1 2142283563 RJXPKOCTNRIHSO-SWZMTVOYSA-N 458.521 3.570 50 10 JHGE CCCN1CCC[C@@H]([C@H](Br)c2ccccc2I)S1(=O)=O 2145778313 PEIBEZPCVDLOOZ-UONOGXRCSA-N 472.186 3.931 50 10 JHGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)N1CCC(Br)CC1)C2 2163058640 MDMDWOGFXRMVIY-UHFFFAOYSA-N 459.410 3.505 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)C1CCC(CBr)CC1)C2 2179831253 VCWNTPXNMUJMOM-BCKAPOECSA-N 455.462 3.724 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCO[C@@H]2C[C@H](Cl)C[C@@H]21 2207263541 YVFWDTVKEKUCRT-JIMOISOXSA-N 470.532 3.665 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](Br)C(F)(F)C1 2256386888 DOXKOKAECWLWCV-SECBINFHSA-N 450.448 3.799 50 10 JHGE COc1ccccc1C(=O)NNC(=O)CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S 2295927468 RNUPMQKYFHWFMK-UHFFFAOYSA-N 490.006 3.791 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 2378144657 PEELVKRUDGVAKF-DCGLDWPTSA-N 455.340 3.581 50 10 JHGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 10040447 ZQZQEWMZVZHPFC-DTQAZKPQSA-N 488.569 3.605 50 10 JHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13985047 XDXSVMBVTSCNLV-UHFFFAOYSA-N 468.735 3.537 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Nc3ccccc3Br)c2[N+](=O)[O-])cc1 40648280 BUSMBKOVULDNDD-UHFFFAOYSA-N 459.260 3.656 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658676 RKRLSKWGAWCWAF-UHFFFAOYSA-N 465.760 3.725 50 10 JHGE COc1ccc(C(=O)NNC(=O)/C=C\c2cccc3ccccc23)cc1I 96585022 DRHQZWOMTYJFAS-BENRWUELSA-N 472.282 3.927 50 10 JHGE CC(C)[C@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1)n1cnc2cc(F)c(F)cc21 109495107 FOFHQQAQQACJAQ-CWTRNNRKSA-N 495.324 3.889 50 10 JHGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(OC)c3n2)c1NC(=O)[C@H](C)Br 170536310 WZSHOUVOKUQBOB-LBPRGKRZSA-N 461.316 3.636 50 10 JHGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1ccc(I)c(O)c1 236587782 NWCOYTPLCWNJMK-NEPJUHHUSA-N 452.130 3.928 50 10 JHGE O=S(=O)(N[C@H]1CCOC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 706706140 VLYGXHYDDFRGRZ-XCBNKYQSSA-N 467.994 3.587 50 10 JHGE COc1ccc(C(=O)Nc2nc(CC(C)=NNC(=O)c3cn(C)c4ccccc34)ns2)cc1OC 725842876 WWXXIYBSURZIKZ-UHFFFAOYSA-N 492.561 3.648 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1C 727332198 CNVKKFDLDBXRHT-RSZPVBOMSA-N 452.555 3.542 50 10 JHGE C[C@@H]1[C@@H](NC(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CCC[C@H]1C 761413961 BDORHZWZWXYYTR-XXGAKVIUSA-N 459.550 3.855 50 10 JHGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2 1084549442 NAUQTZCLMAYBDG-UHFFFAOYSA-N 497.548 3.641 50 10 JHGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 1084630977 VUHVZOJMWOVGEZ-KRWDZBQOSA-N 478.936 3.685 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)CC1 1260512312 PXSVCXZYLFTZJY-IYBDPMFKSA-N 461.422 3.943 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccc(Cl)cc1F 1312942651 MMRNMBAGSAHUQZ-CQSZACIVSA-N 455.273 3.860 50 10 JHGE CC(=O)c1ccc(NC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1C 1675479921 QZKQFMKHMLAVNY-UHFFFAOYSA-N 454.490 3.912 50 10 JHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745238 UQTZLAYZSBHBMS-UHFFFAOYSA-N 490.472 3.625 50 10 JHGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865696341 DTIFMXSZKCYYJE-LJQANCHMSA-N 482.338 3.964 50 10 JHGE CN(C[C@H]1C[C@H]1Br)C(=O)c1cc(Br)ccc1I 2020202393 SSNIXMMDXITZST-GMSGAONNSA-N 472.946 3.909 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185293312 NDCOWPDYIKKILM-OASPWFOLSA-N 467.983 3.979 50 10 JHGE O=S1(=O)CC[C@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2213487910 AYPNWGCMSZHESX-UWVGGRQHSA-N 450.949 3.974 50 10 JHGE O=C(Nc1ccc(I)cc1)N1C[C@@H](Br)[C@H](Br)C1 2214554975 AKTQINRERGGQAL-NXEZZACHSA-N 473.934 3.666 50 10 JHGE CO[C@H]1[C@@H](CBr)N(C(=O)c2cc(Br)c(Br)s2)C[C@H]1OC 2233356833 RBIILCAQQZTQSR-MRTMQBJTSA-N 492.027 3.522 50 10 JHGE CCOC[C@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277913804 BGMWUTJOINRSKO-GFCCVEGCSA-N 457.988 3.670 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295310917 DFTAANFQZVCQST-QWHCGFSZSA-N 469.999 3.765 50 10 JHGE CC(C)[C@H](Br)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823918 GSISOYZACXQFHA-GOSISDBHSA-N 473.433 3.572 50 10 JHGE CN(C[C@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843785 CDOOSMXNAJPONQ-APWZRJJASA-N 485.444 3.668 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCl)c1ccsc1 2338850958 CBIWNALRNBFIOL-SFHVURJKSA-N 455.001 3.804 50 10 JHGE CN1CCC[C@@H]([C@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2340027995 VHTDAOXVHZFRSN-NWDGAFQWSA-N 478.577 3.805 50 10 JHGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502695 JQEWWJNWVRGODL-UHFFFAOYSA-N 453.951 3.573 50 10 JHGE O=C(N[C@@H](C(=O)N/N=C/c1cccc(Cl)c1Cl)c1n[nH]c(=O)c2ccccc12)c1ccccc1 27519314 ZHBRSEKISXRACF-WYJRTQJISA-N 494.338 3.851 50 10 JHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)cc1 40816027 NXKKBXQXPQKKQB-NHFJDJAPSA-N 476.485 3.829 50 10 JHGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccccc1I 101510609 WGQZIOWVTSPXBF-SFQUDFHCSA-N 469.282 3.996 50 10 JHGE Cc1nn(C)cc1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 252620110 LXNDODURWDYXQU-UHFFFAOYSA-N 484.216 3.917 50 10 JHGE CCOc1cc(C=NNC(=O)/C(=C\c2cc(OC)ccc2OC)NC(=O)c2ccccc2)ccc1O 254292048 GOQMQYIYJWJIBN-FIGCKISGSA-N 489.528 3.729 50 10 JHGE O=C(NNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 730768499 ADRNDYQZPRJOCO-DNQXCXABSA-N 477.586 3.579 50 10 JHGE CO[C@H](C)C(=O)Nc1cccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 920855415 DTPNXJMJAIQNIQ-SQVRNEIYSA-N 468.517 3.983 50 10 JHGE CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)C1 1540693278 WLFZEYGDDMYYMY-XMMPIXPASA-N 450.926 3.575 50 10 JHGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747555 JEGZLHRZEGHLFL-UHFFFAOYSA-N 488.588 3.664 50 10 JHGE O=C(Nc1ncccc1OCCCN1C(=O)c2ccccc2C1=O)Oc1ccc([N+](=O)[O-])cc1F 1858692450 NPNAYEYRHVIGNP-UHFFFAOYSA-N 480.408 3.805 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccccc3F)cc2)cc1 1858989023 JYGDEMWZSITFPS-UHFFFAOYSA-N 498.561 3.882 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1cc(Br)sc1Br 2036683935 VHBYRUHTNPFDIY-RNFRBKRXSA-N 462.001 3.945 50 10 JHGE O=C(c1csc(Br)c1Br)N1CCOC[C@H](CBr)C1 2036924278 SQSNHPDRYUONOQ-SSDOTTSWSA-N 462.001 3.757 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@H]2CBr)cc1Br 2039791986 MHKCYEIOVQLTLM-OIBJUYFYSA-N 462.001 3.582 50 10 JHGE Cc1cc(I)c(C(=O)CBr)cc1I 2060167593 SSRGXPRFORZWGR-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)C1CCCCC1 2089699183 TWPWNSALGMIPIC-IBGZPJMESA-N 485.444 3.716 50 10 JHGE CCN1CCC[C@H]([C@@H](Br)c2cc(I)ccc2F)S1(=O)=O 2169659934 XNMPFKYTJLEWSE-OLZOCXBDSA-N 476.149 3.680 50 10 JHGE CN([C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1cc(CBr)co1 2179835527 UPZKRBNMEFHVGA-REPLKXPHSA-N 453.402 3.991 50 10 JHGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC[C@]12C[C@](C(F)F)(CO1)C2 2247368811 NYPJBLMSEZDGDP-BZUAXINKSA-N 461.287 3.536 50 10 JHGE CC[C@](C)(CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823439 AZWCTWDWAUXJIO-HXUWFJFHSA-N 473.433 3.716 50 10 JHGE CCCOc1c(OC)cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OC 2328822759 QLORDUDVFXEGRA-KRWDZBQOSA-N 451.564 3.882 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCCC[C@H]1CBr 2338669235 BETQBIDDPNFGEZ-JGVFFNPUSA-N 457.992 3.629 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NCC1(CBr)CCCC1 2338690115 CQAUIZYZFJQWRP-UHFFFAOYSA-N 457.992 3.630 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H](CCBr)C1 2338851880 IOUMQJIITWJVFQ-QGZVFWFLSA-N 485.444 3.670 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC2(CC[C@@H](CCl)O2)C1 2361878657 FUKHHZFNWWPXTJ-JTQLQIEISA-N 470.532 3.666 50 10 JHGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13978015 VWMIPBOFWXQMJI-UHFFFAOYSA-N 463.071 3.504 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] 40649187 WTIKTGAZFFUYCY-UHFFFAOYSA-N 459.260 3.656 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813413 AZFSUTHKSDBBLD-WPWMEQJKSA-N 498.927 3.637 50 10 JHGE CC(=O)N(C(=O)/C(C#N)=C\Nc1ccc(I)cc1C)c1ccc(N)cc1 216925181 XKPXBCULYVBHDH-KAMYIIQDSA-N 460.275 3.581 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3c(Cl)cccc3Cl)CC2)cc1 254383707 HLJUUWGGMWEMEN-UHFFFAOYSA-N 454.379 3.853 50 10 JHGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 254698494 KLENVQQNMWCJNU-UHFFFAOYSA-N 484.509 3.778 50 10 JHGE BrCCc1cn(-c2ccc(I)c(Br)c2)nn1 300916734 VQDMHLHWBOMKEZ-UHFFFAOYSA-N 456.907 3.572 50 10 JHGE COCC[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721612705 IQMOEIDQVLGRLE-VIFPVBQESA-N 490.961 3.584 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)OCC 725414282 FAGIRCKGABJYFS-HSZRJFAPSA-N 498.576 3.728 50 10 JHGE CC(C)N1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 727806726 AWYLENUIYADRJJ-HKWRFOASSA-N 450.974 3.967 50 10 JHGE O=C(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1)NCCc1ccccc1 1084301124 KJERUZSQCSISSI-UHFFFAOYSA-N 492.963 3.557 50 10 JHGE O=C(CCN1C(=O)c2ccccc2C1=O)NNc1ccc(OCCOc2ccccc2Cl)cc1 1858080706 OIOJHDZMCYCFSO-UHFFFAOYSA-N 479.920 3.927 50 10 JHGE O=C(CCCc1ccc(Cl)cc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771096 JOPHZKYRTUZGPF-UHFFFAOYSA-N 480.977 3.949 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc3c(c2)OCCO3)cc1 1865697869 DJEJBSMHOGHSJW-SFHVURJKSA-N 470.407 3.889 50 10 JHGE CCOC(=O)c1c(I)ccc(CCl)c1I 2055329865 WUBYCGNJRBFHPZ-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE O=C(c1cc(I)ccc1F)N1CCS[C@@H](CCBr)C1 2113350376 DCBMRVHRUNFACF-JTQLQIEISA-N 458.134 3.773 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NS(=O)(=O)c1ccc(CBr)cc1 2164514038 MLQRJEYRHULUDM-FSDCSDTHSA-N 459.406 3.552 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CC[C@@H](Cl)C2)CC1 2288045154 PJWZONNLLDLMLY-QGZVFWFLSA-N 453.004 3.656 50 10 JHGE O=C(c1cc(I)sn1)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2344150622 SODRAHNHMASDPG-SVGQVSJJSA-N 469.064 3.678 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Br)cc1O 2361680150 ULGRUETUXAFUDF-UHFFFAOYSA-N 469.998 3.590 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@]12CCC[C@@]1(CBr)C2 2364192192 YZMLOOQMIYUTGM-FCHUYYIVSA-N 497.455 3.718 50 10 JHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)cc1Br 14645976 JZTZZROSLYFKHX-UHFFFAOYSA-N 494.411 3.589 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649916 UNDHBLLANBCRGP-UHFFFAOYSA-N 476.371 3.935 50 10 JHGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 35446629 IHVGXQOGDNSYMT-FGGAIWKESA-N 490.585 3.538 50 10 JHGE CCCCCOc1ccc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 38608978 QXDCCERSEUITMQ-CJLVFECKSA-N 498.576 3.826 50 10 JHGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1OC 38688632 IUCUOAWGKAKFHB-BJKOFHAPSA-N 486.480 3.667 50 10 JHGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814589 XZTVPGPXZNKVPF-SGWCAAJKSA-N 474.517 3.868 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)cc(OC)c2O)cc1 58893016 BMBBDEYJIAODLH-SLCIXIPPSA-N 451.317 3.526 50 10 JHGE C[C@H](Sc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1)C(=O)NNC(=O)C1CCC1 59879688 MCNLWXAXOWQBKR-IXORVSQSSA-N 487.589 3.985 50 10 JHGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C3C)o2)cc1 103003454 HLXNHYJLLWTZMP-STZFKDTASA-N 476.485 3.669 50 10 JHGE COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1OCc1ccccc1 169879994 YAHACOYGQXDVID-YDZHTSKRSA-N 450.407 3.855 50 10 JHGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CCc2ccco2)c1 748268919 UMCUFPXBMIESFT-UHFFFAOYSA-N 487.965 3.708 50 10 JHGE CN(Cc1ccccc1)C(=O)CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 917770576 CUEAWXUURVSZDH-STZFKDTASA-N 486.963 3.799 50 10 JHGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccc(F)cc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084581986 WSMPVABOEMVGKA-UHFFFAOYSA-N 485.589 3.501 50 10 JHGE CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl 1634954473 YXAMQNQNUKIIJA-MRXNPFEDSA-N 455.729 3.773 50 10 JHGE C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1674362927 FWGRJZVMKBAVCB-SIKLNZKXSA-N 459.550 3.524 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698228 NWTTVSXDEUWQQB-HSZRJFAPSA-N 479.496 3.932 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc(OC)c1O 1865714385 IXXCGLNDQZSKPV-HXUWFJFHSA-N 452.898 3.834 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1ccc(Br)c(CBr)c1 1887894051 XJEFGCCXDMSWCJ-JOYOIKCWSA-N 476.028 3.748 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(Br)s1 2023039657 RHCGJQOZZNFXQJ-JGVFFNPUSA-N 452.177 3.639 50 10 JHGE O=C(NN=CC=Cc1ccccc1[N+](=O)[O-])c1ccccc1NS(=O)(=O)c1cccs1 2053504820 KEXLMHGTQOUFML-UHFFFAOYSA-N 456.505 3.886 50 10 JHGE O=C(Cl)c1cc(I)c(I)cc1OC(F)F 2060170166 BPUBDULILKXROK-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE C[C@H]1CN(C(=O)c2cc(I)ccc2O)CC[C@@H]1CCBr 2172479577 ZTMIEIOBBNIAEV-QWRGUYRKSA-N 452.130 3.880 50 10 JHGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1cc(Cl)ccc1I 2195500398 USCSXUFLBHHAGX-GXSJLCMTSA-N 472.548 3.865 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CCO[C@]2(CBr)C1 2231364114 WFJMKJMFPWAIPQ-JVXZTZIISA-N 474.012 3.899 50 10 JHGE C[C@@H]([C@@H](Br)c1ccc(Cl)c(I)c1)S(=O)(=O)N(C)C 2256330710 CQOOZJSPANKSJS-WRWORJQWSA-N 466.566 3.661 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H]2OCC[C@@]2(CBr)C1 2278858699 GPGNZAKDHZMFFJ-PRHODGIISA-N 474.012 3.899 50 10 JHGE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1ccc(C(=O)NN)cc1Br 2288742790 YVVUATAKGJNWBM-BLLLJJGKSA-N 458.422 3.931 50 10 JHGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)C=Cc1ccc(Cl)cc1 2313864615 WOSUBQBGIAAQDG-HNNXBMFYSA-N 453.951 3.996 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1CCOCCI 2326654782 RVCRPSKLUZPCAE-STQMWFEESA-N 480.309 3.606 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC2CC(Br)C2)C[C@@H](P(C)(C)=O)C1 2344191285 NGGZCVWYYNFDJQ-OOJKYFRXSA-N 451.342 3.524 50 10 JHGE O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1cccc(Br)c1 3661607 CWGSPTNWBBVXRG-LHXREVONSA-N 481.302 3.958 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)cc1 10296027 CAZCSPOKZCJLTO-MRXNPFEDSA-N 470.595 3.942 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc2ccccc2c1 12502584 YBSWEJMARHHBHE-UHFFFAOYSA-N 478.357 3.626 50 10 JHGE O=C(N/N=C/c1ccccc1I)C(O)(c1ccccc1)c1ccccc1 13952837 KOUYAYGRKNSAOO-HZHRSRAPSA-N 456.283 3.677 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cccc(Cl)c3)cc2)c1 14005251 JIFPYKGTEUFIQV-UHFFFAOYSA-N 466.950 3.850 50 10 JHGE O=C(/C=C\c1ccccc1)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 33500245 XFCJKZUDKOPNMT-MSUUIHNZSA-N 468.601 3.645 50 10 JHGE C=CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccccc3C)c3ccccc31)C(C#N)=C(N)O2 39919093 GDBVAWRSLXAOSI-MUUNZHRXSA-N 464.525 3.570 50 10 JHGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccccc4[N+](=O)[O-])c3[N+](=O)[O-])c2n1 40618654 SCCWVBBYZVHGLS-UHFFFAOYSA-N 461.394 3.699 50 10 JHGE CCOc1cc(/C=N/NC(=O)COc2cccc(Br)c2)cc(Br)c1O 40911876 ZZKQCFFLWSKFTE-AWQFTUOYSA-N 472.133 3.845 50 10 JHGE O=C(/C=C/c1ccc(-c2cccc(Cl)c2)s1)NNC(=O)c1ccc(-n2cnnn2)cc1 71891021 XXLLNCRSYYYQFS-PKNBQFBNSA-N 450.911 3.519 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2cccc(I)c2)cc1 100449595 YNATYFDQPIPSTM-CYBMUJFWSA-N 452.292 3.645 50 10 JHGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@H]2O[Si](C(C)C)(C(C)C)O1 196426437 PEDMJTBGYAMVDO-QWFCFKBJSA-N 470.715 3.781 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(CC)cc3)cc2OC)cc1 254566616 HAVVVSPWQPXZEA-UHFFFAOYSA-N 489.528 3.964 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cccc(O)c2O)C1 382727677 RPFNHEOAGTZLDK-GOEBONIOSA-N 453.276 3.885 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CCN2C[C@@H](Br)C[C@@H]2C1 405248783 BRGQERIIUHYYRF-JGVFFNPUSA-N 473.028 3.567 50 10 JHGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 725430822 PCQYLHGKSWTYFU-UHFFFAOYSA-N 476.961 3.803 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 726983587 SFQBMHYGLNWTKQ-OAQYLSRUSA-N 458.990 3.655 50 10 JHGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1ccncc1 1084044394 QFOLUAJRMUJCGS-UHFFFAOYSA-N 493.980 3.529 50 10 JHGE COc1ccc(OCc2ccc(C=NNC(=O)CSc3nc4ccccc4n3C)o2)cc1 1084510188 ONOVRUVXJBUJRE-UHFFFAOYSA-N 450.520 3.996 50 10 JHGE CC(=O)N1C[C@@H](C(=O)NNc2cc(C(F)(F)F)ccc2Br)Oc2ccccc21 1299433259 SJOORCQJOUDNBP-INIZCTEOSA-N 458.234 3.725 50 10 JHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(C)c2O)cc1OC 1565517994 VCYLPJIWHYHYBT-AVRXXWGGSA-N 459.502 3.639 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748685 CMBDSUYIULCUMK-UHFFFAOYSA-N 494.935 3.552 50 10 JHGE CC(N)=C(C#N)C(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 2042438067 OCTLSRUESGTHPN-UHFFFAOYSA-N 454.939 3.699 50 10 JHGE CCOC1(CBr)CN(C(=O)c2cc(Br)sc2Br)C1 2052833444 SSCRRWCZXIWTSS-UHFFFAOYSA-N 462.001 3.899 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2061264095 LNZHDGWFUWUPLL-UHFFFAOYSA-N 468.494 3.982 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CCO[C@@]2(CBr)C1 2239897369 XLYJWKHYWTTWIY-OTYXRUKQSA-N 467.983 3.838 50 10 JHGE Cc1ccc(I)c(C(=O)N2C[C@@H](CBr)OC(C)(C)C2)c1 2240924508 UJZSMNSOCDXGGB-LLVKDONJSA-N 452.130 3.614 50 10 JHGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2cncc(CBr)c2)C1 2283119835 NOHIQSMRYCACDF-IBGZPJMESA-N 452.418 3.652 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C)cc1 2314795864 YLRDCIWMJBIDPE-UHFFFAOYSA-N 464.518 3.534 50 10 JHGE C[C@@H](Br)CN(C1CCCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2342942568 ISCOEFUNKRHPFD-OAHLLOKOSA-N 485.444 3.667 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3C[C@H]2[C@@H]3CBr)cc1Br 2358059937 KCZLYRFCSRDHPH-SBMIAAHKSA-N 488.039 3.924 50 10 JHGE CC1(C)CN(C(=O)c2ccc(Cl)cc2I)C[C@H](CBr)O1 2365581852 JYKITJVTDKGEHL-JTQLQIEISA-N 472.548 3.959 50 10 JHGE O=S(=O)(CCC(CCl)CCl)Nc1cc(F)c(F)cc1I 2379897885 RMPKPWCKCHICEA-UHFFFAOYSA-N 458.095 3.795 50 10 JHGE CCOC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)c(SC#N)c1C 9629996 NGESOGMREFFJRA-UHFFFAOYSA-N 456.542 3.748 50 10 JHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC)cc1 14036152 RCZWICDDEAGZRU-UHFFFAOYSA-N 456.568 3.553 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(OC)cc2)c(Br)c1 14832180 YVTPJJSWJXGSPP-CQSZACIVSA-N 465.344 3.576 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 38683296 XGLCCXAWBMMJBN-DEOSSOPVSA-N 456.454 3.676 50 10 JHGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccccc4Br)c3N)sc2c1 40784264 OTEGLDMWFHXSNC-UHFFFAOYSA-N 486.355 3.940 50 10 JHGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1\N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 102578697 LHLCUVLVMBHKAF-QZQOTICOSA-N 455.405 3.797 50 10 JHGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)ccc1OC(=O)/C=C/c1ccccc1 254312881 XYUVUWWOCGVBQJ-KGDUGKKISA-N 461.449 3.542 50 10 JHGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3[N+](=O)[O-])cc2OC)c1 254842301 CCQLNFYEJPUVLY-UHFFFAOYSA-N 493.472 3.669 50 10 JHGE Fc1cccc(-n2cnc(I)c2I)c1CCl 390384752 BKWDZOCVVDCWBS-UHFFFAOYSA-N 462.431 3.959 50 10 JHGE O=C(Cl)c1c(I)ncc(OC(F)(F)F)c1I 396190214 ZRPVDFHILVMXEW-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE O=S(=O)(c1cc(CCl)ccc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 705909078 QHTXSOBJAMWYQY-HDICACEKSA-N 469.832 3.940 50 10 JHGE CSSCCNC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757375556 BSNWODRWONNBOX-HXUWFJFHSA-N 474.604 3.886 50 10 JHGE C[C@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc2C1 914507425 GYUBNZVPSWQTED-FFAHCDIZSA-N 464.573 3.934 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(O)cc2Br)cc1 1084122014 ZTBOLWLNTVUABV-QGZVFWFLSA-N 451.317 3.526 50 10 JHGE C=CCn1c(S)nc2cc(C(=O)NNc3ccc(OCC(F)(F)F)cc3)ccc2c1=O 1611067858 LNHYDBHDBOXFBP-UHFFFAOYSA-N 450.442 3.569 50 10 JHGE Cn1ncc(Br)c1S(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915186325 KHATVBQOOSDKMT-HNNXBMFYSA-N 477.222 3.547 50 10 JHGE O=C(N[C@H](CCl)C[C@@H]1CCCO1)c1cc(Br)ccc1I 1926748564 JPSPDHGSSIZFKK-QWRGUYRKSA-N 472.548 3.960 50 10 JHGE O=C(N[C@H](CBr)C1CC1)c1cc(Br)ccc1I 1945361971 OXJMSBILSOYDGX-LLVKDONJSA-N 472.946 3.957 50 10 JHGE CC1(CBr)CN(C(=O)c2cc(I)ccc2Br)C1 1951092108 PPWZWKZTSZTSBO-UHFFFAOYSA-N 472.946 3.911 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)[C@@H](Cl)c1ccccc1 1999367297 YFHQERSIXAHQIW-KRWDZBQOSA-N 455.983 3.845 50 10 JHGE Cc1nn(C)c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1Br 2017377671 WEIKPZYJMQZBID-AWEZNQCLSA-N 459.182 3.543 50 10 JHGE CC1(C)CO[C@@H](CBr)CN1c1ncc(I)cc1Br 2069525940 OJZYOYBXWOUCIS-VIFPVBQESA-N 489.977 3.827 50 10 JHGE O=C(N[C@@H]1CC[C@@H]1CBr)c1ccc(I)c(Br)c1 2213319689 WLQJWYJYVKBRLE-LDYMZIIASA-N 472.946 3.957 50 10 JHGE Cc1ccc(NC(=O)OC(C)(C)C)c(Cl)c1Oc1ncc(Br)cc1B(O)O 2240317463 YLJXZEDKSWKXBT-UHFFFAOYSA-N 457.517 3.625 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCO[C@H](CCBr)C1 2268355363 DHALPRJCVINZGM-SNVBAGLBSA-N 458.521 3.571 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)ccc1Cl 2313619943 CFDDTDDWIQAOJV-UHFFFAOYSA-N 453.951 3.916 50 10 JHGE CC(C)[C@@H]1C[C@@H](Br)CN1C(=O)c1c(Br)c(Br)nn1C 2344603477 LYHANTOJLTUYAF-SFYZADRCSA-N 457.992 3.579 50 10 JHGE CS(=O)(=O)[C@H]1C[C@H](CO[C@@H](CI)c2cccc(Br)c2)C1 2381005352 HZPQHMPSMXFEGB-BPNCWPANSA-N 473.170 3.765 50 10 JHGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 58889694 JPXPZGYRWBLPON-BUNCMMSWSA-N 462.502 3.967 50 10 JHGE N#C/C(=C\c1cc(Br)c(N2CCCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 59302843 AZHZCENFVFIOHR-KRIZPFIPSA-N 451.328 3.850 50 10 JHGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O 103873227 FZFWTGJFNIRQKI-PEZBUJJGSA-N 452.898 3.590 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cccnc1 252632066 VPPLYVWMUIAZBS-OAHLLOKOSA-N 455.975 3.756 50 10 JHGE O=C(NN=c1c(=O)c2cccc3cccc1c32)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 254396662 ZFQUMLLMSBGSSG-UHFFFAOYSA-N 489.940 3.929 50 10 JHGE CC(=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccccc1O 254401590 CLMXFWMGWQYHJU-UHFFFAOYSA-N 451.548 3.745 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c(-c2ccc(Cl)cc2)n1 743720644 GVUJIPBABOBTQQ-VOZFUJEASA-N 498.974 3.941 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(-c2ccccc2)n1 914465159 CZGUAFJGJBCWTM-ODFZLOHPSA-N 486.601 3.622 50 10 JHGE CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Br)cc(I)c1 1901051266 HKXQJUXZZYGFPC-GARJFASQSA-N 461.919 3.983 50 10 JHGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(CBr)cc1 1977660552 JMBVPDHOKQAMIM-UHFFFAOYSA-N 486.407 3.729 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Br)sc2Br)C[C@@H]1Br 2067181880 GHHJZZKEVDNPJJ-MHSYXAOVSA-N 462.001 3.944 50 10 JHGE O=C(Cc1ccccc1I)NC[C@H](Br)CC(F)(F)F 2119073119 HZEIZUGXVXLLIV-SECBINFHSA-N 450.036 3.666 50 10 JHGE C[C@@H](Cl)[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CCO1 2142288207 JARSATTXICQBFN-PELKAZGASA-N 458.521 3.522 50 10 JHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(CCCBr)c1 2164504442 ZSVMYKRKZOSHCE-OAQYLSRUSA-N 497.386 3.780 50 10 JHGE O=C(N[C@@H](CBr)CC1CCOCC1)c1cccc(I)c1 2195483022 OHXIKACMRLOWOB-CQSZACIVSA-N 452.130 3.601 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CCO[C@]2(CBr)C1 2239905711 ZKTPSYVZMQAHPO-YMTOWFKASA-N 467.983 3.838 50 10 JHGE CCN(C[C@](C)(CI)OC[C@]1(C)CCCN1C)C(=O)OC(C)(C)C 2300065911 NONPYGLASNMCHA-ROUUACIJSA-N 454.393 3.938 50 10 JHGE CC(C)[C@@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1)N1C(=O)c2ccccc2C1=O 2314760722 ZTCSVQDXJTWLEQ-DEOSSOPVSA-N 497.507 3.729 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCc1cccc(Cl)c1 2314810464 AFFHVEMYBOYQOX-UHFFFAOYSA-N 454.910 3.653 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@H]1CCc2nccn21)C(=O)OC(C)(C)C 2326870766 PUIKIPZLOWWEEI-RDTXWAMCSA-N 463.360 3.838 50 10 JHGE C[C@]1(CCBr)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338849669 KQMATDLOGHIUGJ-NRFANRHFSA-N 485.444 3.670 50 10 JHGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC(OCc2ccccc2)C1 2367008342 KIUAEXZRTMHLSW-BPIHKTFHSA-N 457.434 3.549 50 10 JHGE CO[C@@H]1CN(Cc2cc(I)ccc2Cl)[C@H](CBr)[C@H]1OC 2380531554 QYBLVXRVVYWYDP-MGPQQGTHSA-N 474.564 3.554 50 10 JHGE O=C(NNC(=O)c1cccnc1SCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 3020216 RWPZBGAILPJFAP-UHFFFAOYSA-N 487.881 3.919 50 10 JHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1Br 10154398 HSVBVLUUUNNQFL-AWEZNQCLSA-N 494.411 3.568 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1Br 12573295 YPXNNCVIZGQAFU-UHFFFAOYSA-N 456.365 3.789 50 10 JHGE COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1I 12573871 CNYGMJBPENSPAV-QGMBQPNBSA-N 459.627 3.625 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OC)c(Br)c1 13980541 JDQAEPGYZHPGIT-CYBMUJFWSA-N 494.411 3.686 50 10 JHGE Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825767 ZTWOMYHSUNGFCK-TWKHWXDSSA-N 453.502 3.932 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)CSc2ccccc2C)c1C 59158438 ZBKCPGRNXGRDDJ-FSJBWODESA-N 453.524 3.957 50 10 JHGE COc1cc(Br)cc(/C=N/NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1O 169927577 DTHHITIQLASWKX-FSJBWODESA-N 455.312 3.602 50 10 JHGE COC[C@@H](CCBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 228302532 GWTUOKVUZAPOLS-SECBINFHSA-N 494.043 3.598 50 10 JHGE O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@@]23CCCC[C@@]12[C@@H](Br)[C@H]3Br 254312966 WCVOZXOSMBWBIV-DEGRCIOYSA-N 493.199 3.554 50 10 JHGE COc1cc(C=NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)ccc1OCCc1ccccc1 254442225 PYIKTULNLBRZJP-UHFFFAOYSA-N 490.585 3.855 50 10 JHGE Cc1ccc(CN2CCN(CC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 254583046 KZIXAWOCFOCCDX-UHFFFAOYSA-N 456.590 3.842 50 10 JHGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])s2)cc1 254617831 WYWLLDUVXLWAEE-AUNOBMBBSA-N 463.519 3.644 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(F)c3)nc3ccccc3c2=O)cc1 254623077 QOJHQCWOGBVBBD-UHFFFAOYSA-N 462.506 3.776 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1OCc1ccccc1)c1ccc(Cl)cc1 1083997410 HDYVANSQSQIUHY-UHFFFAOYSA-N 471.966 3.835 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084162794 KDVSZYYCKHIUCY-UHFFFAOYSA-N 481.574 3.666 50 10 JHGE COc1ccc(COC(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 1084342450 UADFUWLFFNDSAQ-UHFFFAOYSA-N 460.446 3.781 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)c1 1644838435 XJNRPTWEYPLKDX-UHFFFAOYSA-N 454.353 3.556 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1ccc(CBr)c(Br)c1 1887891996 ATWRXWNYXONHMQ-ONGXEEELSA-N 476.028 3.748 50 10 JHGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1916342287 MVLMDQFZDQKWDZ-FQEVSTJZSA-N 493.025 3.539 50 10 JHGE CCOC(=O)c1c(I)cc(CCl)cc1I 2055331688 QVCFQEUBIDYUPC-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE CN(CC(F)(F)CCl)C(=O)c1ccc(Br)cc1I 2086145681 PRLRSWMHWSDJKE-UHFFFAOYSA-N 452.464 4.000 50 10 JHGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2123238948 ZJLAIOBBWKEZND-CALCHBBNSA-N 455.443 3.989 50 10 JHGE COC[C@@H](CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277933095 ONZLZVSUVTTXKE-GFCCVEGCSA-N 457.988 3.670 50 10 JHGE COc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314620769 URVAEJXTEDJUNS-UHFFFAOYSA-N 474.513 3.738 50 10 JHGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 2321173252 FGBKIGDQXFVAIS-UHFFFAOYSA-N 461.518 3.947 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)CC(C)(C)C1 2338680317 BHQQCLAJBHIATC-ZETCQYMHSA-N 457.992 3.581 50 10 JHGE COc1cc(C(=O)N/N=C/c2cccn2-c2ccc(C(=O)O)cc2)ccc1I 4782661 HSFJFENUEFOCLZ-WSDLNYQXSA-N 489.269 3.553 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)=O 6073963 ZDNRLUDDDGYKRG-QPEQYQDCSA-N 460.240 3.837 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1)c1ccccc1Cl 10510679 GAFADBJNPZKOIE-UHFFFAOYSA-N 453.951 3.911 50 10 JHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 13619672 UUJQSHREBPAGGS-KRWDZBQOSA-N 480.348 3.731 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(Br)c1 13982204 OXTYHXRUKANMRB-UHFFFAOYSA-N 482.334 3.850 50 10 JHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 14032450 ZWVUSIOKDGMBQU-UHFFFAOYSA-N 450.358 3.577 50 10 JHGE O=C(NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40648269 JADYJPYQXOPLTN-UHFFFAOYSA-N 474.231 3.556 50 10 JHGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814595 MIEVYDOQLUNANH-LGUFXXKBSA-N 461.478 3.652 50 10 JHGE N#CCC[C@H]1CCCC/C1=N/NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 104112912 PLAFHPCVSOWMAE-UEAMBXKFSA-N 483.550 3.756 50 10 JHGE COCCOCCOCCO[C@H](CI)c1ccccc1Br 162597064 JIOWBVPVUNZHGR-OAHLLOKOSA-N 473.145 3.621 50 10 JHGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 254297599 ROWJRUKAZWBADD-UHFFFAOYSA-N 475.501 3.792 50 10 JHGE Nc1nnc(SCC(=O)NN=Cc2ccc(OCc3c(F)cccc3Cl)cc2)s1 256028318 FJHUMOOQQRAUIY-UHFFFAOYSA-N 451.936 3.734 50 10 JHGE Fc1cc(CCl)ccc1-n1cnc(I)c1I 390449868 VZPGFZYISMECRK-UHFFFAOYSA-N 462.431 3.959 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1 1083933188 CFWJCCVPZUGGTF-UHFFFAOYSA-N 484.434 3.812 50 10 JHGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 1083937383 FRKBFTMBWBMJDR-FQEVSTJZSA-N 472.545 3.648 50 10 JHGE O=C(NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cc(Br)ccc1O 1084003315 YHSFXFDHRGZFLM-UHFFFAOYSA-N 495.289 3.744 50 10 JHGE CC1=C(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084099662 WAKPMKTVFMQKRK-QGZVFWFLSA-N 464.334 3.845 50 10 JHGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)cc1 1136761360 JEEOJRXNPZZIRF-UHFFFAOYSA-N 459.510 3.990 50 10 JHGE C=CCCC[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1680959092 FFVCABCSSUVGHQ-GOSISDBHSA-N 458.584 3.793 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751634 VOSXXOVWYCSVLT-UHFFFAOYSA-N 479.537 3.829 50 10 JHGE C[C@@H](C(=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CCCC3 1860773747 DCRYDXNUFICHOR-WCCZABOQSA-N 459.915 3.610 50 10 JHGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865712470 ZKDVQTVMCNJDOS-KRWDZBQOSA-N 473.411 3.530 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(C)c1 1865852374 UKGAJOKGIQMHCH-WMZOPIPTSA-N 480.634 3.931 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@@H](Br)C2)cc1Br 1887735105 ACTKPKZGAVXLBK-DTORHVGOSA-N 476.028 3.972 50 10 JHGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@@H](Br)C1 1893137157 PEJLUHTVEOQLBA-BGTYHANMSA-N 455.393 3.775 50 10 JHGE CCN(C[C@](C)(CI)O[C@@H]1C2CCN(CC2)[C@H]1C)C(=O)OC(C)(C)C 2077344108 SAOAHRZVUDGTPM-QOKNQOGYSA-N 466.404 3.936 50 10 JHGE CCn1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1CBr 2179785306 KGCLCDVVYRAZCI-QGZVFWFLSA-N 454.434 3.688 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Cl)c1cc(Br)ccc1I 2206488329 RVVFABGQSHZIEG-NWDGAFQWSA-N 470.532 3.712 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(Cl)c(I)c2)C[C@@H]1Br 2268346944 KFDMVFACSZJYRI-VDDIYKPWSA-N 458.521 3.615 50 10 JHGE C[C@H](Br)COCc1cn(-c2ccc(Cl)cc2I)nn1 2278381891 DBMUWJZDEWOSSN-QMMMGPOBSA-N 456.509 3.825 50 10 JHGE C[C@H]1C[C@H](CBr)CCN1C(=O)c1c(Br)c(Br)nn1C 2338687535 ZIQUGPRACYCEPH-JGVFFNPUSA-N 457.992 3.581 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CC[C@H](CCl)CC1 2364196151 XGMYXPUPNQTAOO-IYARVYRRSA-N 455.020 3.808 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)c1ccccc1 2364204948 ICAGGXYELNRGLE-HXUWFJFHSA-N 493.423 3.899 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2364206242 RCUIBYXDJHRQAM-MBOZVWFJSA-N 497.455 3.811 50 10 JHGE O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)C2CC2)cc1 12502545 VYVQJWOGCKVLBC-UHFFFAOYSA-N 472.979 3.853 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 12579320 UYOCKRDMGQWMLW-ZDUSSCGKSA-N 468.337 3.726 50 10 JHGE COc1cc(C=NNC(=O)Cc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13146862 PNKQOBZUVJCMEO-UHFFFAOYSA-N 450.407 3.997 50 10 JHGE aggregator Cc1ccc(C)c(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1 14008698 FHDBXSQUZGLCCF-ZDUSSCGKSA-N 455.736 3.713 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 14832206 IHSAGUNPJUMXSR-GFCCVEGCSA-N 450.289 3.711 50 10 JHGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 28063542 YOKZSKKRLAGQOO-IBGZPJMESA-N 490.610 3.982 50 10 JHGE Cn1ncc(Br)c1C(=O)NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1 252600911 DVTPSGNXRGMOSZ-UHFFFAOYSA-N 461.703 3.819 50 10 JHGE COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NNc3ccc(F)c(F)c3F)c(O)c2)c1 728718262 CUNFQPJKNVANKE-UHFFFAOYSA-N 461.396 3.836 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)N(C2CCCC2)C2CC2)c(-c2ccccc2)n1 918804127 FXZQLPYLJWZCAX-HMMYKYKNSA-N 457.534 3.848 50 10 JHGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3ccccc3[N+](=O)[O-])cc2)S(C)(=O)=O)cc1C 1083927169 FMRPJKFNKJNTNX-UHFFFAOYSA-N 480.546 3.942 50 10 JHGE CCCCC(C)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 1084602017 LVDXMGNWKWKRDG-UHFFFAOYSA-N 458.584 3.518 50 10 JHGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(C)cc4)nc3C)cc2C1=O 1865757753 SJEVKXDLLUKVPS-INIZCTEOSA-N 470.529 3.835 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 1866856817 BAGVQGZLYMIBSL-OAQYLSRUSA-N 498.486 3.982 50 10 JHGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cc(I)sn1 1909914093 CBCKKNXWKAWBDD-GFCCVEGCSA-N 450.729 3.644 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3sc(Br)cc3Br)[C@@H]2C1 2006147109 JRXNKAIFCRCKDR-MKTOGPLKSA-N 465.026 4.000 50 10 JHGE O=S(=O)(N[C@H]1CC[C@H](Br)C1)c1cc(Br)ccc1Br 2057793020 OCGKDAOGYQGBLQ-CBAPKCEASA-N 462.001 3.806 50 10 JHGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2123243426 JLWFWXQSEBUCJY-IRXDYDNUSA-N 455.443 3.704 50 10 JHGE O=S(=O)(c1ccsc1CBr)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2123285999 HRWQPAQRSBUWDK-SJORKVTESA-N 455.443 3.786 50 10 JHGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2153994972 FZUFJUKDNFOZDI-CVEARBPZSA-N 491.860 3.523 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@]2(CBr)CCCC[C@H]12 2165244198 RULRJZPSVMXSJY-SIKLNZKXSA-N 497.455 3.812 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](Br)C[C@@H](F)C1 2226316398 FGWGGFZWPDQOEJ-DTWKUNHWSA-N 479.991 3.708 50 10 JHGE Cc1ccc(C(=O)N2C[C@H](C)O[C@H](CCBr)C2)cc1I 2232837432 STPDOGLUZCZMES-WCQYABFASA-N 452.130 3.614 50 10 JHGE CC[C@]1(CBr)COCCN1C(=O)c1ccc(Cl)c(I)c1 2283666187 YIJRELMZVRELTD-AWEZNQCLSA-N 472.548 3.961 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C=Cc1ccc(F)cc1 2293829939 FIHWYQWRDJXOHF-UHFFFAOYSA-N 486.135 3.899 50 10 JHGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cc(=O)n4nc(C)sc4n3)cc2)cc1 2297500051 HHCDQKPLEOTBIA-UHFFFAOYSA-N 457.515 3.893 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 2313752850 QAAGRQOOBKTKQV-UHFFFAOYSA-N 461.543 3.623 50 10 JHGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(OC)c1 2331386899 ZRXFLXDRTGYCBX-UHFFFAOYSA-N 492.469 3.824 50 10 JHGE Clc1ccc(CC[C@H](Br)CN2CCOCC2)c(I)c1 2341032559 NGFGIZFZBNAFTB-LBPRGKRZSA-N 458.565 3.973 50 10 JHGE ClCCN1CCC[C@H](NCc2ccc(I)c(Br)c2)C1 2349847680 LTQZKDKPWVKZDW-LBPRGKRZSA-N 457.581 3.847 50 10 JHGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1ccc(Cl)cc1I 2365589852 ACAFRYXWFVAUFM-KOLCDFICSA-N 472.548 3.959 50 10 JHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 14031890 DEWNKVSKAWNOLR-KRWDZBQOSA-N 465.575 3.978 50 10 JHGE COc1cccc(-c2nnc(NC(=O)[C@H](Cc3ccccc3)NC(=O)C(Cl)Cl)s2)c1 103187136 CCWJUIFMFGBILR-HNNXBMFYSA-N 465.362 3.683 50 10 JHGE O=S(=O)(NC1(CBr)CCC1)c1cc(Br)ccc1Br 123308099 AHVKEAPDEVWQCQ-UHFFFAOYSA-N 462.001 3.808 50 10 JHGE CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc(N)cc2)cc1Br 169900635 SGYXZEQPJZUBHA-FBHDLOMBSA-N 455.150 3.885 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OC(C)C)c(OC)c2)c(OC)c1 207008868 NDMXPEXFQIGCRQ-TUZLPLBJSA-N 494.544 3.779 50 10 JHGE C[C@H]1CO[C@@H](CCl)CN1C(=O)c1cc(Br)ccc1I 235620677 MMERLGFNAIROTK-WPRPVWTQSA-N 458.521 3.522 50 10 JHGE C=CCc1cccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1O 254383124 SHRPZHGBCHBENE-UHFFFAOYSA-N 456.502 3.770 50 10 JHGE Cc1cccc(OCC(=O)NN=Cc2cc(Br)cc(I)c2O)c1 254409806 ADZTUFYXBHSROF-UHFFFAOYSA-N 489.107 3.597 50 10 JHGE C=CCOc1cccc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 254840723 NDSZTKUKRSRGNK-UHFFFAOYSA-N 494.529 3.505 50 10 JHGE CC(C)(CCOc1c(Br)cc(Br)cc1Br)C(=O)NN 395690633 XHLZUZFKKKDDGA-UHFFFAOYSA-N 458.976 3.759 50 10 JHGE O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCSC[C@@H]1CCBr 689309292 HRXLWGYVIOWBMB-VIFPVBQESA-N 463.644 3.994 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H](C)c2cc(C)cc(C)c2)cc1 730551877 CAQFFTUXAUBMJN-HBEGMLAUSA-N 471.561 3.835 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c(-c2ccccc2)n1 812501544 CCBREXVZDHWYTM-VNSJDZJPSA-N 476.496 3.591 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccccc3)cc2)cc1 1858991524 TXAWWDYIACTSMU-UHFFFAOYSA-N 480.571 3.743 50 10 JHGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712015 NSFGABAAMQQLSS-OAQYLSRUSA-N 479.880 3.791 50 10 JHGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873941079 VJWITALQDVYIPD-VLGSPTGOSA-N 477.414 3.715 50 10 JHGE CC1([C@@H](Br)c2sc(Cl)cc2I)CS(=O)(=O)C1 1901027279 YWFZSRBWPLOHIJ-QMMMGPOBSA-N 455.564 3.877 50 10 JHGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1C(=O)Nc2cc(F)c(Br)cc21 1984041450 YEHRFANRMIFCBO-VXGBXAGGSA-N 452.118 3.912 50 10 JHGE CCN(C[C@@](C)(CI)OCCN1CCCCC1)C(=O)OC(C)(C)C 2007003829 OKYASUPGHDZOOH-GOSISDBHSA-N 454.393 3.940 50 10 JHGE COc1cccc(-n2cnc(I)c2I)c1CCl 2024104342 QRGRUYVTUZMZPJ-UHFFFAOYSA-N 474.467 3.829 50 10 JHGE C[C@H](Br)[C@@H]1C[C@H]1NC(=O)c1ccc(Br)cc1I 2026219616 XTAGXZDBIKIPHO-DQBIJJQNSA-N 472.946 3.955 50 10 JHGE O=C(c1cc(I)sn1)N1CCC2(CCC2)[C@@H](CBr)C1 2120028218 YRUMKWFGDBVWRC-VIFPVBQESA-N 455.159 3.775 50 10 JHGE CO[C@]1(CCl)CCN(C(=O)c2ccc(Br)cc2I)C1 2142290010 XAUUFWXUDZPRCC-ZDUSSCGKSA-N 458.521 3.524 50 10 JHGE C[C@@H](CBr)N1CCN(Cc2ccc(I)c(Cl)c2)CC1 2142948430 ANGDAXJALCCYBO-NSHDSACASA-N 457.581 3.846 50 10 JHGE O=C(Cc1ccccc1I)N1CC[C@@H](Br)C(F)(F)CC1 2150042634 NSTFHKHOVXHNLT-GFCCVEGCSA-N 458.084 3.855 50 10 JHGE C[C@H](NC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 2163053234 LOZUUJYXOWGWHV-AWEZNQCLSA-N 461.422 3.895 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2179793802 YYVWVGHCCPUDLU-QZTJIDSGSA-N 453.402 3.544 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201762459 HFAKAGGWCXQBHE-IINYFYTJSA-N 470.532 3.713 50 10 JHGE Cc1ccc(I)c(C(=O)NC(C)(CBr)CBr)c1 2217395427 NXKZYRHGZRBIDB-UHFFFAOYSA-N 474.962 3.878 50 10 JHGE CC[C@@]1(CBr)COCCN1C(=O)c1cc(C)ccc1I 2240925074 OADVOERTPLVYQB-OAHLLOKOSA-N 452.130 3.616 50 10 JHGE COc1ccc(CCNC(=O)C(C#N)=C2NC(=NC(=O)c3ccccc3C)c3ccccc32)cc1 2296532716 NZUXQTDNFCNADM-UHFFFAOYSA-N 464.525 3.787 50 10 JHGE Cc1ccccc1OCCn1cc(C=C(C#N)C(=O)N2CCC(C(N)=O)CC2)c2ccccc21 2297551949 KNGQFNKAOAKOAG-UHFFFAOYSA-N 456.546 3.660 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NCCSCCBr 2314074422 PJOHNDBQIZIWIO-UHFFFAOYSA-N 460.029 3.998 50 10 JHGE COC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)c(C)c2)c(OC)c1 2314737379 DVUXQUVVANNDAN-UHFFFAOYSA-N 460.280 3.831 50 10 JHGE C[C@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2338852369 NNSPYQPJOPXZES-IRXDYDNUSA-N 485.444 3.526 50 10 JHGE CCn1ncc(I)c1-n1c(CCl)nc2cncc(Br)c21 2381978791 FCFTVDLDCTUXNJ-UHFFFAOYSA-N 466.508 3.743 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(Br)c1 13619720 CNDHZVIBVFMIGV-IBGZPJMESA-N 491.382 3.970 50 10 JHGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2C 38180188 BKRYPLLCNSTUNZ-MEFGMAGPSA-N 485.382 3.545 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Nc3ccc(C(=O)OCC(C)C)cc3)c2[N+](=O)[O-])cc1 40649911 CGYDBFNMXMNLDS-UHFFFAOYSA-N 480.481 3.707 50 10 JHGE O=C(NNc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658660 LSOTUVGQBHKLNI-UHFFFAOYSA-N 480.828 3.995 50 10 JHGE Cc1c(C(=O)N2CCOCC2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816326 NFVMDEJRYAKLGS-PCLIKHOPSA-N 480.348 3.603 50 10 JHGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 40959893 HSPLPBKSTNQKMI-SSDVNMTOSA-N 451.317 3.566 50 10 JHGE C=CCn1nc(C)c(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccccc3)n2CC=C)c1C 59829820 NTEWKXDLLWFPDE-CRXVIZHGSA-N 478.626 3.706 50 10 JHGE COC(=O)c1cc(Br)cc(Br)c1NS(=O)(=O)C[C@H](C)CCl 127035063 CCTMUVFCGZFFTC-SSDOTTSWSA-N 463.575 3.615 50 10 JHGE CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)NC[C@H]1CCC[C@@H](CN=C=O)C1)CC2 170288635 CKQXRHDJBOLPHX-MSOLQXFVSA-N 499.999 3.912 50 10 JHGE CC1(C)C[C@@H](N=C=O)C[C@@](C)(CNC(=O)Nc2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)C1 170290084 SVDSYRDNWDMZPN-IQMFZBJNSA-N 460.579 3.745 50 10 JHGE N#C/C(=C/NCCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1Sc1ccccc1 217243816 WGTNBGAXUSHONY-ZPHPHTNESA-N 478.599 3.663 50 10 JHGE O=C1NCCOc2ccc([C@@H](Br)c3cccc(I)c3)cc21 228233829 ILDSMEIYEWUSPF-HNNXBMFYSA-N 458.093 3.898 50 10 JHGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)COc2ccccc2OC)c2ccccc21 254555067 TWWPXDJGQCEMIN-UHFFFAOYSA-N 466.582 3.801 50 10 JHGE COC[C@@](C)(CCl)N(C)C(=O)c1cc(Br)ccc1I 689285659 BIULLEHXFCAOEC-CYBMUJFWSA-N 460.537 3.770 50 10 JHGE CCCCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C)[C@H]1CCS(=O)(=O)C1 832926895 HJHHOKDTXWJFIU-YSSBIZNGSA-N 457.571 3.956 50 10 JHGE CN(CC(=O)N(C)C1CCCCC1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 918132693 DZZGBGDMMYVJNU-PGMHBOJBSA-N 458.566 3.620 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)cc(OC)c2O)cc1 1084337900 BMBBDEYJIAODLH-QGZVFWFLSA-N 451.317 3.526 50 10 JHGE COc1cc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)ccc1O 1084636107 RRNWYNPIBKENCM-SFHVURJKSA-N 465.362 3.651 50 10 JHGE C=CC[C@@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccncc1 1312021603 NMIHRXCNTIZTIF-RPBOFIJWSA-N 455.562 3.656 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1CN 1857784227 UVEAUDRUWOAZRO-NHCUHLMSSA-N 454.687 3.900 50 10 JHGE C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccc(F)c(Br)c4)c(=O)c23)C1 1860773252 UGLNDWUNWQSSQU-PCFHJBBPSA-N 477.359 3.635 50 10 JHGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1865712187 RQUVTQAMKRYRGQ-QHCPKHFHSA-N 473.489 3.754 50 10 JHGE C[C@@H](CCCl)N(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915078682 STXHQDCXRMMHDU-SFHVURJKSA-N 462.999 3.912 50 10 JHGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 1955763081 QVNBMCGIRMDJFD-SFHVURJKSA-N 467.429 3.808 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CC[C@@H](OCCBr)C1 2046759539 UJAUYVMVNMJFOG-SSDOTTSWSA-N 462.001 3.899 50 10 JHGE O=C(CCl)c1cc(I)cc(OC(F)F)c1I 2060185880 AATMVVGKPAHJIH-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE CSCC[C@H](Br)CCNC(=O)c1cc(I)ccc1O 2090386197 XLQHINBRAAPNLE-SECBINFHSA-N 458.159 3.633 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2COC[C@]2(CBr)C1 2226181640 JNXOYETZXZTXQN-KRTXAFLBSA-N 474.012 3.757 50 10 JHGE O=C(NCC1(CBr)CC(F)(F)C1)c1cc(I)ccc1F 2281659195 XEMUGRVPEVRVBL-UHFFFAOYSA-N 462.047 3.971 50 10 JHGE O=S(=O)(C[C@H](Br)c1c(F)cccc1I)N1CCCCC1 2282887361 DOGLCWYGGRCLQN-JTQLQIEISA-N 476.149 3.682 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C=Cc1cccc(Cl)c1 2314796053 STQUJNMITZZDBN-UHFFFAOYSA-N 452.894 3.733 50 10 JHGE Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c2ccccc21 10736872 DVTLBDHHNFVBDD-UHFFFAOYSA-N 482.949 3.707 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1O 59921803 LUNVRENGKAWBEE-UFWORHAWSA-N 458.106 3.785 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598227 CDTLHEKNILRHDN-OVVQPSECSA-N 482.899 3.926 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1cc(Br)c(Br)s1 122134245 KIEIEEXYKKLOQV-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 217136664 KAUMMYWOVVCALH-PEZBUJJGSA-N 479.389 3.654 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OC)c(OC)c1 254569988 ZSYSADVJJDFVCA-QGZVFWFLSA-N 480.594 3.724 50 10 JHGE C[C@H](Br)[C@H](C)NC(=O)c1cc(Br)ccc1I 386998918 LQKWBXMJUCSVSE-BQBZGAKWSA-N 460.935 3.955 50 10 JHGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(O)c1 686176077 BVVDBPNQYDETTQ-GMTLJSCSSA-N 450.114 3.773 50 10 JHGE C[C@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H]1CCBr 707411539 ZUATYVJFQPPDNE-YJBOKZPZSA-N 485.444 3.524 50 10 JHGE CC(=O)N(CCC(=O)NNc1nnc(-c2ccccc2)n1-c1ccccc1)Cc1ccccc1 726189792 HSKGQBQOBDHUKI-UHFFFAOYSA-N 454.534 3.816 50 10 JHGE CC(=NNC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1 1084322994 YUDSOUCSMPKXPF-UHFFFAOYSA-N 492.601 3.862 50 10 JHGE C[C@@H]1CCC(C(=O)Nc2ccc(Cl)cc2)=C2NC=C(C(=O)NN=Cc3ccc(Cl)cc3)C(=O)N21 1088659771 YSVMUXQWSSKDNC-CQSZACIVSA-N 498.370 3.792 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(Br)ccc2Br)[C@@H]1Br 1911026550 NUGMBUXXGAQSAV-QWRGUYRKSA-N 455.972 3.882 50 10 JHGE O=C(NCc1cc(CCl)no1)c1cc(Br)ccc1I 1925849652 RPLQBJUGUIHHQW-UHFFFAOYSA-N 455.477 3.711 50 10 JHGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)CCCCBr)C1 1955900561 YBKNDZAJZGRSLW-UHFFFAOYSA-N 455.393 3.562 50 10 JHGE CO[C@H](CCBr)CNC(=O)c1cc(I)ccc1Br 2049496285 SGALURVQDXBVJP-SECBINFHSA-N 490.961 3.584 50 10 JHGE CN1CCC[C@@H]([C@@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2089535868 OTZKJQWJUNNSDM-RYUDHWBXSA-N 478.577 3.758 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2121590183 BYMVBQCWSKDBOT-YEPSODPASA-N 474.012 3.755 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)[C@@H]1CC[C@@H](CBr)C1)C2 2179830916 QHBZAUXPVOEVQR-XRXFAXGQSA-N 455.462 3.724 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCCCCI)CCNC(=O)OC(C)(C)C 2209248295 OPLJPLCEFNVCRB-UHFFFAOYSA-N 499.434 3.943 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2264843585 AIZPSXCCAKFHMV-IQJOONFLSA-N 455.159 3.916 50 10 JHGE Cn1ncc(-n2c(CCCl)nc3cc(Br)ccc32)c1I 2280059050 XCAWQDHRCGFOSI-UHFFFAOYSA-N 465.520 3.907 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H]2OCC[C@]2(CBr)C1 2296369459 LBXWZCPCPJHMQZ-RISCZKNCSA-N 467.983 3.838 50 10 JHGE CC(C)(C)N(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823182 YQBULVQLMBXQEK-UHFFFAOYSA-N 473.433 3.668 50 10 JHGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC(=O)c2ccco2)cc1 2328796488 FZVCCRSDNYXPJZ-KRWDZBQOSA-N 461.540 3.595 50 10 JHGE O=S1(=O)CC[C@@H]([C@H](CBr)Cc2ccc(Cl)c(I)c2)C1 2337226029 SLDFZMSJLFBWRO-MNOVXSKESA-N 477.589 3.933 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H](C)C1Br 2338853001 UUCMZNIZOZNVRN-HOTGVXAUSA-N 485.444 3.524 50 10 JHGE CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@H](c4ccc(O)c(OC)c4)CC(=O)N3C2)cc1 9693241 ZJARYTZWQDTWGK-SFHVURJKSA-N 465.531 3.797 50 10 JHGE CCOc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC 12491150 DBOVRFSDXCHVRM-CYBMUJFWSA-N 455.338 3.948 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 12573914 DFTJTHUMBGZLMC-UHFFFAOYSA-N 478.412 3.770 50 10 JHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14012753 GIGXQPXZCCENOB-UHFFFAOYSA-N 494.411 3.686 50 10 JHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14662626 OPVFAVXTCBEXEF-UHFFFAOYSA-N 499.361 3.981 50 10 JHGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCC)c(Br)c1 14771066 LIEHMPHOFFDMBV-UHFFFAOYSA-N 480.384 3.586 50 10 JHGE Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(C(=O)[C@@H](C)Cl)CC3)c12 35912718 SVLWUQJOIZVUHW-QGZVFWFLSA-N 455.006 3.988 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1CC(C)C 96973031 KNNJPZMJTHQAAR-MYYYXRDXSA-N 462.594 3.556 50 10 JHGE CCn1c(SCC(=O)NN=Cc2ccc(O)c(O)c2)nnc1-c1ccc(C(C)(C)C)cc1 254489364 UIUSKSSVPPKSHT-UHFFFAOYSA-N 453.568 3.916 50 10 JHGE CN(C)c1ccc(C(=O)NN=C2C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1 254685510 WQPSKCMRGIGLJN-UHFFFAOYSA-N 498.425 3.829 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCOC[C@@H]1CCCl 694889844 XVTLVZBFQWHIDZ-JTQLQIEISA-N 458.521 3.524 50 10 JHGE O=S(=O)(N[C@@H]1COCC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 711031596 DIGPIXMIEKGXJC-GMSGAONNSA-N 467.994 3.587 50 10 JHGE C[C@@H](Br)[C@@H](C)NC(=O)c1ccc(I)c(Br)c1 721592155 FNDOVGDHOLFYHU-RNFRBKRXSA-N 460.935 3.955 50 10 JHGE CC(C)(C)OC(=O)NCCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 742461007 FWKORABOPYAOIF-GHRIWEEISA-N 468.945 3.665 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H](CCNS(=O)(=O)c2ccc(CBr)cc2)C1 1260512481 YMZAELPCNQMARR-INIZCTEOSA-N 461.422 3.897 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(F)cc(F)c2Br)cc1 1466178709 KKZZMLLJECWOMQ-SNVBAGLBSA-N 456.243 3.550 50 10 JHGE COc1cc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)ccc1[N+](=O)[O-] 1614630731 MGHPCIRSNDYPAG-CHWSQXEVSA-N 462.284 3.989 50 10 JHGE C=CC[C@]1(C(=O)NNC(=O)CSc2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1628631404 WTXOBWGGJMRLIA-OAQYLSRUSA-N 453.992 3.925 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714309 GVPSWEANNRNWNL-MRXNPFEDSA-N 457.368 3.782 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC1[C@H]2COC[C@H]1CN(Cc1ccccc1)C2 2010827672 UWICLAURUBEQMQ-WOJBJXKFSA-N 467.701 3.629 50 10 JHGE C[C@@H]([C@H](Cl)c1cc(I)ccc1Br)S(=O)(=O)N(C)C 2029075191 POJPLVLQDQKKIQ-CPCISQLKSA-N 466.566 3.614 50 10 JHGE O=C(c1csc(I)c1)N1CC[C@H](Br)C(F)(F)CC1 2032652590 DPPRMQSGHXDOKL-QMMMGPOBSA-N 450.086 3.988 50 10 JHGE COC(=O)c1cc(I)c(I)c(CBr)c1 2055322472 FUXDDDOXCLDGQW-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE CC(C)C1=CC(=O)[C@](C)(Br)[C@H](Br)C1=NS(=O)(=O)c1ccccc1 2059867839 DVKJIDDNNDDYAO-CVEARBPZSA-N 463.191 3.899 50 10 JHGE CC[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC[C@H]1NC(=O)OC(C)(C)C 2163052107 ZPHGRUAJOAAPNR-DOTOQJQBSA-N 461.422 3.895 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@H](OCCBr)C1 2170221642 RTVMPLYMAZDWRF-QMMMGPOBSA-N 467.632 3.729 50 10 JHGE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1C(=O)N1CCC(Br)CC1 2185168570 BQDFZPQAZKLLOI-AWEZNQCLSA-N 454.356 3.980 50 10 JHGE Cc1ccc(C(=O)N2CC[C@H](OCCCBr)C2)cc1I 2232824770 CDVHOZZKNBNTRZ-ZDUSSCGKSA-N 452.130 3.616 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCOC[C@H]2C[C@@H](C)Br)c1 2240922641 DWRZELPYMRYCMW-VXGBXAGGSA-N 452.130 3.614 50 10 JHGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N2CCOCC2)ccc1Cl 2296720371 YRUQPBRNCORNAG-UHFFFAOYSA-N 464.909 3.523 50 10 JHGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1Cl 2297019491 IQYUMYKDTONWKB-OAQYLSRUSA-N 467.978 3.934 50 10 JHGE C#CCOc1cc(Br)c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313567750 OBFWVDSYVKJQJA-UHFFFAOYSA-N 480.362 3.725 50 10 JHGE O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccc(-c2cccc(Br)c2)o1 8336949 XOBHFJZUDLGKJV-RVWRPPTPSA-N 452.308 3.689 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)ccc1Br 10506018 JSHCKAMESJHFFB-UHFFFAOYSA-N 491.194 3.779 50 10 JHGE Cc1cccnc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40625942 JVQSLZCYLIVOGJ-UHFFFAOYSA-N 464.269 3.661 50 10 JHGE CCC(=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1)c1cc(F)ccc1O 254409856 UDTLALKKRJXTPG-UHFFFAOYSA-N 471.510 3.885 50 10 JHGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 254743921 PTFFDUPDNSXAAM-UHFFFAOYSA-N 489.528 3.583 50 10 JHGE C[C@@H](CCl)CS(=O)(=O)Nc1ccc(I)c(Br)c1 304208691 RNIVFTZHQWEOPF-ZETCQYMHSA-N 452.539 3.670 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 746182798 SWSCIQYGFPCNBO-SFHVURJKSA-N 496.545 3.833 50 10 JHGE CCOc1cc(C=NNC(=O)c2cc(Br)ccc2O)cc(Br)c1O 1084149904 LUNVRENGKAWBEE-UHFFFAOYSA-N 458.106 3.785 50 10 JHGE Cn1cc(C=NNC(=O)c2ccc(Br)cc2)c(-c2ccc3c(c2)OCCCO3)n1 1317709883 ZHXAEVMIOSILCJ-UHFFFAOYSA-N 455.312 3.775 50 10 JHGE COc1cc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)ccc1[N+](=O)[O-] 1614630734 MGHPCIRSNDYPAG-QWHCGFSZSA-N 462.284 3.989 50 10 JHGE CCOC(=O)Cc1c(CBr)cc(OC(F)(F)F)nc1I 1848387536 CKWZVQYDATYKNX-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE COC(=O)c1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858684539 MWFLGEBADGEBST-UHFFFAOYSA-N 484.396 3.544 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683823 IWAPOBYXGPCKCU-OAQYLSRUSA-N 467.485 3.875 50 10 JHGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712133 QBOFXJAYBATCHC-HXUWFJFHSA-N 465.853 3.732 50 10 JHGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1866130658 GEOPMTMMLHMAGT-RVDMUPIBSA-N 484.335 3.586 50 10 JHGE Cc1[nH]nc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1CBr 1984645952 OYDLLSPPJPZBIC-UHFFFAOYSA-N 491.455 3.936 50 10 JHGE O=C(NC[C@@]1(CBr)CC12CCC2)c1ccc(I)c(O)c1 2154202177 JVRHEYHBSHKZHY-HNNXBMFYSA-N 450.114 3.682 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1(F)CCC(CCl)CC1 2178585028 IFTGSXWXVYDCAY-UHFFFAOYSA-N 458.983 3.510 50 10 JHGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H](CCCl)O1 2179373927 IOFUBTFSJJLCAO-GXSJLCMTSA-N 472.548 3.912 50 10 JHGE Cc1cc(CN(C)S(=O)(=O)c2cc(CBr)sc2Br)sn1 2179785089 HPJIIFBJHXGONU-UHFFFAOYSA-N 460.238 3.991 50 10 JHGE O=S(=O)(N(Cc1ccccc1)CC1CCOCC1)N1CCC[C@H](CCBr)C1 2179952899 SJDASYOJEYCGJG-LJQANCHMSA-N 459.450 3.657 50 10 JHGE COCCN(C[C@H](C)Br)C(=O)c1cc(Cl)ccc1I 2272440033 VTYQCPVTCRLYAL-VIFPVBQESA-N 460.537 3.817 50 10 JHGE N#CC(C(=O)Nc1ccc(F)cc1)=C1N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 2296203250 LHLCUVLVMBHKAF-UHFFFAOYSA-N 455.405 3.797 50 10 JHGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2OC)c1 2296826747 MODSVLAPVWICBY-UHFFFAOYSA-N 459.502 3.634 50 10 JHGE CCn1cc(Br)c(C(=O)N[C@H](CCBr)COCc2ccccc2)n1 2303539804 OZEJAVMUAPKQFV-CQSZACIVSA-N 459.182 3.766 50 10 JHGE CC(C)N(CCOCCI)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2306805558 UXTATXJAQFOKEA-INIZCTEOSA-N 454.393 3.796 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 2314770917 GWTMBVIJHAAJOW-UHFFFAOYSA-N 497.485 3.578 50 10 JHGE CC[C@H](C)[C@@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827846 VOPZCUVPIRBFMR-YJBOKZPZSA-N 473.433 3.572 50 10 JHGE CN([C@H](CBr)CC1CC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843423 SZIHNNLEZSTFJT-KRWDZBQOSA-N 485.444 3.668 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCC[C@H]1CCBr 2338850802 VCBNKPZYROUHFA-QFBILLFUSA-N 485.444 3.716 50 10 JHGE CN(C[C@H]1CCC[C@H]1Br)C(=O)c1c(Br)c(Br)nn1C 2338858984 AJJIOHNYPDRMGL-HTQZYQBOSA-N 457.992 3.581 50 10 JHGE Cc1ncnc(N2CC[C@@H](Br)C[C@@H]2C(F)(F)F)c1I 2339897712 HVPVKSIZMDKIHX-HTQZYQBOSA-N 450.040 3.684 50 10 JHGE Clc1ccc(CN2C[C@H]3COC[C@@H](C2)[C@H]3Br)c(I)c1 2341011226 LRNTXQYINCEMAF-GNXNZQSNSA-N 456.549 3.786 50 10 JHGE CN(C(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC1(C)C 2361412245 UBIPQQWMQORLSY-MRXNPFEDSA-N 461.422 3.848 50 10 JHGE O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)NNC(=O)C1CCC1 59882607 JUUUNKWYMZQOKB-UHFFFAOYSA-N 486.395 3.736 50 10 JHGE CCc1nnc(NS(=O)(=O)c2ccc(N/C=C(/C=O)c3nc4ccccc4o3)cc2)s1 103877263 SKOVIYWYYHOACX-QBFSEMIESA-N 455.521 3.694 50 10 JHGE CCn1c(NNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)nc2ccccc2c1=O 110279659 LTTUFEFWCARWIJ-SSKFGXFMSA-N 493.995 3.986 50 10 JHGE C[C@@H](Br)C(=O)c1c(I)cccc1I 307314666 VMUMEAVALQUDRP-RXMQYKEDSA-N 464.866 3.862 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1 843489212 IYEABDVXLDVGLR-UHFFFAOYSA-N 455.492 3.578 50 10 JHGE CCOc1cc(/C=C\C(=O)NNC(N)=S)cc(Br)c1OCc1ccccc1Cl 1082442135 OWDZCAKRSPGNOY-FPLPWBNLSA-N 484.803 3.958 50 10 JHGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 1083903957 HGCNVBOHGYRRAI-UHFFFAOYSA-N 451.454 3.624 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1 1083950110 BDHMCKZTYHEYLB-SFHVURJKSA-N 469.321 3.819 50 10 JHGE COC(=O)c1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 1084404876 NYGVRZPTXGZFIJ-UHFFFAOYSA-N 499.976 3.857 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 1622716652 NYTIFOMMGYQNMQ-INIZCTEOSA-N 453.495 3.941 50 10 JHGE C=CC(=O)N1CCC(C(=O)NNC(=S)Nc2ccccc2C(C)C)(c2ccccc2)CC1 1635272422 OCYXSDUVFGGGIO-UHFFFAOYSA-N 450.608 3.874 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2c(Br)cccc2Br)C1 2109022701 VKFOWBABTIJAAU-DTWKUNHWSA-N 455.972 3.836 50 10 JHGE CCCN1CC[C@@H]([C@@H](Br)c2cc(I)ccc2F)S1(=O)=O 2169658283 FMOCJPIMKYDFLS-STQMWFEESA-N 476.149 3.680 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CCBr)cc2)[C@H](C)CN1Cc1ccccc1 2179788541 DEKUHIWWEFVVGP-ZWKOTPCHSA-N 451.430 3.908 50 10 JHGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cn1 2179824089 QQSWHMQPLKBCDA-IBGZPJMESA-N 452.418 3.652 50 10 JHGE Cc1cccc(C(=O)N2CC[C@H](OCCCBr)C2)c1I 2207047000 JUJRYIBNKCMOMZ-LBPRGKRZSA-N 452.130 3.616 50 10 JHGE Cc1ccc(CBr)cc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2264117849 YQTLICOMFCTGKB-UHFFFAOYSA-N 465.369 3.708 50 10 JHGE COC[C@@H](Br)CN(C)Cc1ccc(I)c(Br)c1 2306219477 MSKDPLHKRRAEPG-JTQLQIEISA-N 476.978 3.895 50 10 JHGE C[C@@H]1CCCN(CCOCCI)[C@@H]1CCCNC(=O)OC(C)(C)C 2306802405 OUBOUTIWLDYWLP-HZPDHXFCSA-N 454.393 3.843 50 10 JHGE COCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C(C)=C(C#N)C1=O 2314618742 SRCVIGQMJVWJJM-UHFFFAOYSA-N 450.466 3.652 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Br)cc1 2314789591 KNMHIRZLYFJHNQ-UHFFFAOYSA-N 493.741 3.756 50 10 JHGE C[C@](NC[C@H]1C[C@@H]1Br)(C(=O)O)c1cc(Br)c(Br)s1 2326181844 OTDOKVDZXJVWJZ-LJNABYEQSA-N 462.001 3.946 50 10 JHGE Cc1c(CBr)ccc(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)c1C 2367935594 HAKBIOKRBIBSKZ-NRFANRHFSA-N 497.386 3.964 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 2374304613 PEELVKRUDGVAKF-OGHNNQOOSA-N 455.340 3.581 50 10 JHGE COc1ccc(CC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779675 KGNDSNWGHUYWTP-UHFFFAOYSA-N 462.127 3.533 50 10 JHGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1OC 33569286 MWJJWVZXFSTIML-SQFISAMPSA-N 491.569 3.632 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CSc1ccc(Cl)cc1 41018074 XYRKONFAEOOPEH-SFQUDFHCSA-N 472.950 3.812 50 10 JHGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OCC 58891558 NUIGFNRKKNAKMA-OQLNFPPLSA-N 459.340 3.824 50 10 JHGE O=C(COc1cccc2ccccc12)N/N=C/c1cc(Br)c(N2CCOCC2)o1 59679234 UPQGYGPGJKWIRT-YDZHTSKRSA-N 458.312 3.561 50 10 JHGE COc1ccc(/C=N/NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c(Br)c1O 169927585 CZWYFSPZBLXGNN-FSJBWODESA-N 455.312 3.602 50 10 JHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 254489085 PGNRFRRJIXMPLY-UHFFFAOYSA-N 473.529 3.883 50 10 JHGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccccc2C(=O)O)cc1 725380939 ZTAKSMVUJADKPE-UHFFFAOYSA-N 485.949 3.768 50 10 JHGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c(OC)c1 1083956833 ZHGHJRWOKWCGJI-UHFFFAOYSA-N 499.365 3.963 50 10 JHGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710394 XCQLKWWWAFWLKN-FQEVSTJZSA-N 479.880 3.986 50 10 JHGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)CCCSc2ccccc2)CC1=O 1865757714 QZKRPRHCWIQNET-HXUWFJFHSA-N 453.608 3.884 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4)cc3n2)cc1 1867195663 ZMAKJTDNRMVTDE-QFIPXVFZSA-N 498.568 3.576 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(CCl)cc1 1999362965 BSTHUDAJQBAQTP-UHFFFAOYSA-N 455.983 3.917 50 10 JHGE CCN1CCC[C@@H]([C@H](Br)c2sccc2I)S1(=O)=O 2029061562 BJOCUVPTTLSNAW-UWVGGRQHSA-N 464.188 3.603 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H](F)[C@H](CBr)C1 2056988327 CLJPICFQBPZNQT-GMSGAONNSA-N 490.936 3.859 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)Cc1ccc(O)c(Br)c1 2125300762 UKPBQKYZNHNXHR-UHFFFAOYSA-N 465.435 3.720 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@](C)(CBr)CC1(C)C 2134837867 PZHDAIWXFMETBR-OAQYLSRUSA-N 485.444 3.524 50 10 JHGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNS(=O)(=O)c1ccc(CBr)cc1 2162600876 JYPHWCMYISHCFC-ZBFHGGJFSA-N 461.422 3.753 50 10 JHGE Cn1nc(CNC(=O)c2ccc(CBr)cc2)c(I)c1Cl 2174380760 BGHXIDHUDALXJY-UHFFFAOYSA-N 468.520 3.503 50 10 JHGE Cc1cc(C(=O)N2C[C@H](CBr)OC(C)(C)C2)ccc1I 2207104920 HQCWUGJLWJIAGS-LBPRGKRZSA-N 452.130 3.614 50 10 JHGE CN(Cc1nn(C)nc1Br)c1ccc(CBr)c(Br)c1 2226958334 ZGNFXZTZDAUXGU-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@@H]2CCCO2)c1C 2296543505 IPJYGMMYTVJXSD-FQEVSTJZSA-N 458.518 3.614 50 10 JHGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1F 2331337603 LUUSKHCWLACFBX-UHFFFAOYSA-N 480.433 3.955 50 10 JHGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(S(C)(=O)=O)cs1 2338720147 OLDLSQWAASIAJG-ZETCQYMHSA-N 493.040 3.894 50 10 JHGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)c1C#N 1959143 KMCDYUBTRRPHJV-UHFFFAOYSA-N 483.322 3.960 50 10 JHGE O=C(NNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-])c1ccccc1Br 40586188 SXRCADIGNTZGBX-UHFFFAOYSA-N 455.272 3.598 50 10 JHGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1C 106297503 VNVWCQNMQVWOBA-QKYYUXOMSA-N 462.594 3.949 50 10 JHGE C[C@H](CCl)CS(=O)(=O)Nc1ccc(I)cc1Br 304199354 MBJZRFWICGKDRM-SSDOTTSWSA-N 452.539 3.670 50 10 JHGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727365616 JVPGQPVWPMLVFM-UHFFFAOYSA-N 491.617 3.844 50 10 JHGE Cc1ccc(OCC(=O)NN=C2C(=O)N(C)c3c(Br)cc(C)cc32)c(Br)c1 1082990323 IBZAMRMXTGKKDV-UHFFFAOYSA-N 495.171 3.704 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)NC1CCCCC1 1084392520 XUTOZICOCFURGU-UHFFFAOYSA-N 490.482 3.622 50 10 JHGE C/C(=C\c1ccco1)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1290080357 DHTWENAADJIMBW-WYMLVPIESA-N 459.911 3.598 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(Br)c(F)cc2C)cc1 1677136803 POTMTCCHLPVDEY-LBPRGKRZSA-N 452.280 3.719 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744409 DBNJZYYQMABLLO-UHFFFAOYSA-N 464.909 3.787 50 10 JHGE COC(=O)Cc1c(I)ccc(I)c1CBr 2055331471 NZKGDBCFVVOINZ-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE C[C@@]1(CCl)COCCN1C(=O)c1cc(I)ccc1Br 2112716060 NBHGQDFXOWJVQK-CYBMUJFWSA-N 458.521 3.524 50 10 JHGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1ccc(I)c(C)c1 2142107361 PVINMXDUNIUCRB-GFCCVEGCSA-N 460.175 3.707 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@]2(CCl)CCCC[C@@H]12 2165234776 OEPROYCMWKENSS-DENIHFKCSA-N 453.004 3.656 50 10 JHGE C[C@@]12CSC[C@@H]1CN(S(=O)(=O)c1cc(CBr)sc1Br)C2 2179775711 NOOZWUWDSWBMMC-QPUJVOFHSA-N 461.266 3.779 50 10 JHGE COCCCNC(=O)C(C#N)=Cc1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O 2296720892 OYEPMBQLRPBJOC-UHFFFAOYSA-N 452.898 3.508 50 10 JHGE O=C(O)C=CC(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 2314592702 ZVONKAKMGPYHCB-UHFFFAOYSA-N 459.687 3.804 50 10 JHGE CCOC1(CBr)CN(C(=O)c2ccc(Cl)cc2I)C1 2340051600 FLTWAZRLUKJQAA-UHFFFAOYSA-N 458.521 3.571 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCO[C@H](CCBr)C1 2340053306 YURMJAHJCBSCGC-SNVBAGLBSA-N 458.521 3.571 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc2c(c1)OCO2 12483199 HVVWEKJGKVPHBO-IFRROFPPSA-N 470.117 3.778 50 10 JHGE Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)COc1ccc(Br)cc1C 12493720 KJFMNMLEFSOZQW-UHFFFAOYSA-N 481.144 3.680 50 10 JHGE O=C(COc1ccc(Cl)cc1)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 12502865 OOTWZDRBDKWNFB-UHFFFAOYSA-N 454.360 3.923 50 10 JHGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccccc1Cl 13976889 VIFIYQSMSTVVSU-UHFFFAOYSA-N 490.796 3.907 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814775 WGUZCMCXKFNFSZ-NLRVBDNBSA-N 465.441 3.863 50 10 JHGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 48572994 CUWWKDAIBHUIKW-WKULSOCRSA-N 455.493 3.867 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(F)c(F)c1 59261912 OGWVUYPXWBEOAR-RPPGKUMJSA-N 456.522 3.905 50 10 JHGE C=CCc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(OC)c1OCC(=O)O 59678631 GRYRWYNPEFDQRO-RPPGKUMJSA-N 450.413 3.599 50 10 JHGE CCOc1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254822265 ACMIXYWRFKPPBZ-ZSUJPZTCSA-N 457.486 3.735 50 10 JHGE Cc1cccc(C(=O)N(CCOCCBr)C(C)C)c1I 312873033 OWBYRLMJWZTZRR-UHFFFAOYSA-N 454.146 3.862 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3ccc(Cl)c(Cl)c3)CC2)cc1 725446777 SWZUSVBFBRQTCG-UHFFFAOYSA-N 454.379 3.853 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1cccc(C(F)(F)F)c1 725758621 FVLIBIPFSFBXNI-UYRXBGFRSA-N 494.539 3.562 50 10 JHGE Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNC(=O)Cn1nnc(-c2ccccc2)n1 915907212 FGNAOTHULCKDGV-UHFFFAOYSA-N 496.506 3.916 50 10 JHGE COc1ccc(COC(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 1084090558 USKMSWZHWSJQHM-UHFFFAOYSA-N 453.455 3.675 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)c1 1455403958 BWBIVXWQDSKNGB-UHFFFAOYSA-N 454.559 3.865 50 10 JHGE C=CCn1cc(CNC(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)nn1 1470583817 HMINDQYQNQXYQO-UHFFFAOYSA-N 456.959 3.554 50 10 JHGE CC1(C[S@@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)CN(C(=O)OC(C)(C)C)C1 1877873380 VBZFYTFYULODFD-RMKBEBRYSA-N 451.427 3.822 50 10 JHGE Cc1c(CCl)ccnc1-n1cnc(I)c1I 1986186794 SLMHTHQLXJRSOM-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE CCOC1(CBr)CN(C(=O)c2c(Br)cccc2Br)C1 2116389307 VMEJGZVKUGXMPB-UHFFFAOYSA-N 455.972 3.838 50 10 JHGE CC1(C)CC(CBr)(CNC(=O)c2cc(I)ccc2O)C1 2158302947 LFUGVOZNJMJYRP-UHFFFAOYSA-N 452.130 3.928 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1Cc2ccc(CBr)cc2C1 2167516933 NFNVWNAXZRLXIV-UHFFFAOYSA-N 491.407 3.693 50 10 JHGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(CBr)c2F)C1 2179860889 ZCPLGZZWOPOVHU-OAHLLOKOSA-N 459.356 3.755 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1F)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188888907 WXCPXPPMSZSQQR-IEBWSBKVSA-N 453.377 3.616 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CCO[C@@]2(CCl)C1 2239902907 JJZMDZUBXYDWLZ-OTYXRUKQSA-N 470.532 3.524 50 10 JHGE CC1CC(CBr)(CN=[S@](C)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)C1 2265306110 NLXIWWDXQUTVBL-URRAKVLHSA-N 452.459 3.753 50 10 JHGE Cc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccccc4C)cc3)nc2s1 2297350701 BMGDQOOXOZUDEG-UHFFFAOYSA-N 457.515 3.893 50 10 JHGE Cc1cnc(-n2c(C)nc(I)c2I)cc1CCl 2301376472 PYNLBGSHADEQPW-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE CSCC[C@H](NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O 2325031507 RFRZNCJJGNKHRN-ZDUSSCGKSA-N 455.380 3.866 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CCC2CCN(S(=O)(=O)CBr)CC2)CC1 2335931240 SJSSGCWFTYDQTG-UHFFFAOYSA-N 453.443 3.808 50 10 JHGE Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14563343 ANASSCJUCXUDCP-UHFFFAOYSA-N 492.439 3.698 50 10 JHGE C=CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)ccc1Cl 16693764 HTPFGHVUGZJXGF-AQTBWJFISA-N 480.904 3.917 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCC(OCCCl)CC1 236031044 PXMDBJUBSXCBCL-UHFFFAOYSA-N 472.548 3.914 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@](C)(CBr)c1ccccc1 703966052 BSJRULIQJMMUON-JOCHJYFZSA-N 493.423 3.539 50 10 JHGE N#Cc1ccc(OCC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 727722198 GQGJQPITFAKNKJ-UHFFFAOYSA-N 471.448 3.618 50 10 JHGE COc1ccc(OC)c(C(=O)N/N=C(/C)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)c1 1615030262 AYWAGQFAYISZSW-YOLBRRMZSA-N 467.522 3.687 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(Cl)cc3F)c(=O)c2c1-c1ccccc1 1860769760 GYODNOIONSRYGG-UHFFFAOYSA-N 470.913 3.687 50 10 JHGE COc1ccc(-c2ccc(C(=O)N/N=C(/C)c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)c(C)n2)cc1 1865762753 AXTXHMXGEJKXHI-NXZPZOCRSA-N 458.518 3.963 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCCC2)C[C@H]1CBr 1912788350 YQIXHYXTILNRSE-INIZCTEOSA-N 497.455 3.668 50 10 JHGE C[C@@H]([C@H](Cl)c1cc(Br)ccc1I)S(=O)(=O)N(C)C 2029076319 YITBLKZJTQEIDC-CPCISQLKSA-N 466.566 3.614 50 10 JHGE CC(C)(C)C[C@@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213629 WOOGEUGFYKGBJC-HNNXBMFYSA-N 473.433 3.572 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNc1ncc(Br)cc1C(=O)O 2061267748 IPGWTSLGOGBRQM-UHFFFAOYSA-N 452.396 3.860 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CCO1 2117534746 VCXBRUQBQUNZLT-QPUJVOFHSA-N 458.521 3.569 50 10 JHGE CCCN1CC[C@@H]([C@H](Br)c2cccc(F)c2I)S1(=O)=O 2145767825 FIJZKFXPFOSGDB-NWDGAFQWSA-N 476.149 3.680 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C12CCC2 2162589156 NMKYXCKZAOHMES-JKSUJKDBSA-N 459.406 3.696 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N[C@@H]2C[P@@](C)(=O)C[C@@H]2Br)c1Br 2177852693 XYPBDQMEKHDHNW-ROXHKKKXSA-N 465.169 3.544 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2ccc(Cl)c(I)c2)[C@H]1Br 2268352019 MZCMDQXNAKOLPC-GHMZBOCLSA-N 458.521 3.615 50 10 JHGE CCOc1ccc(C=CC(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 2313890375 JMJIQDSAZYAIKD-UHFFFAOYSA-N 453.720 3.741 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](CCBr)C(C)(C)C1 2364230173 IZCZQEJWWMBSAY-QMMMGPOBSA-N 472.019 3.828 50 10 JHGE CC1CCC([C@@H](CCl)NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2379729558 LEJGHDUSTWAYIP-LADRWXRNSA-N 455.020 3.662 50 10 JHGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)CCc1ccccc1Cl 10460497 QUXYKNALKLMDHQ-HNNXBMFYSA-N 455.967 3.915 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccccc1Cl 12501676 WGKXPOADYJUKHT-UHFFFAOYSA-N 492.782 3.970 50 10 JHGE COP(=O)(OC)O[C@@H](Br)C(Br)(Br)Br 31600329 NNJOGRJSKIPHRS-GSVOUGTGSA-N 469.686 3.963 50 10 JHGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2ccc(Br)s2)cc1)[C@@H]1C[C@@H]1C 1671651970 CSEOVGRPASNROE-IINYFYTJSA-N 451.346 3.738 50 10 JHGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865711832 IVELSQAKPKGDCC-INIZCTEOSA-N 452.433 3.802 50 10 JHGE Cc1ccc(SCCCC(=O)NNC(=O)c2ccc(I)cc2)cc1 1865755800 QTJGENOICYVVOX-UHFFFAOYSA-N 454.333 3.933 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3cccc(Br)c3)c(C)n2)cc1OC 1865757993 DMLAIGJHYPCRME-UHFFFAOYSA-N 470.323 3.912 50 10 JHGE CCCOc1ccc([C@H](CC(=O)O)NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)cc1OC 1866214103 REAQDGRHFMFPPA-FGGAIWKESA-N 482.533 3.748 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1nc2ccccn2c1CBr 1912989871 ROWMNENPYNMHPA-UHFFFAOYSA-N 464.323 3.644 50 10 JHGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCOCC2)CCN1C(=O)OC(C)(C)C 1977962528 LSQPCHPBIQBJND-UHFFFAOYSA-N 492.455 3.883 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1991464035 SFBCEMDYNZYAKI-YYDVJCTNSA-N 480.447 3.788 50 10 JHGE O=C(Cc1ccccc1I)N[C@@H](CBr)CC(F)(F)F 2087572608 RHDNGGASSNGEAF-SECBINFHSA-N 450.036 3.666 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cc(CBr)cs1)C2 2123228630 DJFJBYCSOPJYGB-PKOBYXMFSA-N 455.443 3.786 50 10 JHGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CCBr)s2)CN1Cc1ccccc1 2123238252 UNYQGCKLRKLNGF-NVXWUHKLSA-N 457.459 3.969 50 10 JHGE CC1(C)[C@@H](CCl)OCCN1C(=O)c1ccc(I)c(Br)c1 2159641525 WNTBYRUUMNRIAH-GFCCVEGCSA-N 472.548 3.912 50 10 JHGE CO[C@@H](CCBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2168518151 PTPUJBGAVAPFBX-VIFPVBQESA-N 494.043 3.598 50 10 JHGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](CNS(=O)(=O)c1ccc(CBr)cc1)C2 2174314818 UMZZHEKCUCTVDH-ZOBUZTSGSA-N 459.406 3.648 50 10 JHGE CN1CCN(C(=O)c2ccc(Br)cc2Br)[C@@H](CCBr)C1 2202834396 JFIUGBWPYRUTFT-NSHDSACASA-N 469.015 3.753 50 10 JHGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NCCCCCI)CC1 2211185374 RDYAOHZAZDJHNX-UHFFFAOYSA-N 458.406 3.994 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2225384773 JUDXIBQVWVQYGK-UTLUCORTSA-N 455.159 3.773 50 10 JHGE O=C(NCCC#CCBr)c1cc(Br)ccc1I 2303669687 QZSWVTMLAXPMNV-UHFFFAOYSA-N 470.930 3.572 50 10 JHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2314579289 OTMOVSVETLXMKG-UHFFFAOYSA-N 457.368 3.713 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@H]2[C@@H](C)Br)cc1Br 2331383918 RSXKZDNDCCLFST-FYBVGQRMSA-N 476.028 3.970 50 10 JHGE C[C@@H](Br)[C@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338852062 KPIAPLFRKWQDMP-SJORKVTESA-N 485.444 3.668 50 10 JHGE Clc1ccc(I)cc1CN1C[C@@H]2CCO[C@@]2(CBr)C1 2352430275 SHCYNVQIYZXHTB-FZMZJTMJSA-N 456.549 3.930 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)CC12CCCC2 2364198463 WQHFREABVIGOTF-KRWDZBQOSA-N 497.455 3.955 50 10 JHGE O=S(=O)(c1sccc1Br)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370237941 FEHUIZWKXGAURU-XPUUQOCRSA-N 457.131 3.990 50 10 JHGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 12570300 SXUYZYOAOJJHNU-UHFFFAOYSA-N 490.796 3.907 50 10 JHGE O=C(COc1ccc(O)cc1)N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl 33959600 PYJVBUAVPNLGJV-LSFURLLWSA-N 496.770 3.609 50 10 JHGE COc1cc(/C=N\NC(=O)COc2ccccc2Br)cc(Br)c1OC 34982470 DMKLLEASFSEWOP-UKWGHVSLSA-N 472.133 3.758 50 10 JHGE O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658129 FTBAHALIEFXRIG-UHFFFAOYSA-N 474.231 3.556 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596196 BFUMCHXGCLWHEV-OVVQPSECSA-N 482.899 3.926 50 10 JHGE COc1ccccc1N1[C@H](c2ccccc2C)[C@@H]2C(=O)OC(=O)[C@H]2C12C(=O)c1ccccc1C2=O 105686700 KKLIRTQMIMJBBV-XPWALMASSA-N 467.477 3.699 50 10 JHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1cc(Br)cc(Br)c1 384798077 XYVNNCZEHKTBEP-CYBMUJFWSA-N 469.015 3.801 50 10 JHGE C[C@H](Br)Cc1cn(-c2ccc(I)c(Br)c2)nn1 709375118 MAGSCDQNDLLMJI-ZETCQYMHSA-N 470.934 3.960 50 10 JHGE COc1ccc(-c2cnc(CCC(=O)NNC(=O)c3cc(F)ccc3Br)o2)cc1 728546864 KZGFOBLTQCTWPZ-UHFFFAOYSA-N 462.275 3.646 50 10 JHGE CCC(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 917392548 HVFQUQJSYVXHAC-HXUWFJFHSA-N 485.009 3.964 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743891 NAOZICDIVGZXCS-UHFFFAOYSA-N 464.909 3.787 50 10 JHGE Brc1cc(CNCCCI)ccc1I 1893241247 GUKXNRVQIIOKGR-UHFFFAOYSA-N 479.925 3.968 50 10 JHGE CC[C@@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2114190864 WWKQPZHFZGYVEH-RTBURBONSA-N 485.444 3.811 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)N2CCC(Br)CC2)C[C@@H]1C(F)(F)F 2163051913 XVJXDLHXQXCKNU-YPMHNXCESA-N 458.319 3.601 50 10 JHGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2179825595 IWCKCANSMNLQQB-HDICACEKSA-N 465.404 3.723 50 10 JHGE COc1cc(CBr)ccc1S(=O)(=O)N1CCC(OCc2ccccc2)CC1 2179858829 UMGRNZBDGOLZOS-UHFFFAOYSA-N 454.386 3.960 50 10 JHGE COc1ccc(Br)cc1S(=O)(=O)NCCCCCCI 2235934212 LNNKMDQWRYKMQZ-UHFFFAOYSA-N 476.174 3.731 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1CCOC[C@H](CBr)C1 2295308116 SVOIKUTWNFFTBR-LLVKDONJSA-N 469.999 3.624 50 10 JHGE CCN1CCN(c2ccc(NC(=O)COC(=O)C(C#N)=Cc3cc(C)n(CC(C)C)c3C)cc2)CC1 2297434727 VEFXZKAVZLPKDW-UHFFFAOYSA-N 491.636 3.992 50 10 JHGE CC(C)[C@H](Br)[C@@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825988 GSSFMFINYKFRCJ-QAPCUYQASA-N 473.433 3.570 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2325062324 DVRJLGUDAZYFRE-QVKFZJNVSA-N 493.692 3.582 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 12483070 OTOVTURKCPYYRF-FBCYGCLPSA-N 487.104 3.663 50 10 JHGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041911 DQUQRRICPAFBKJ-UHFFFAOYSA-N 475.570 3.822 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644450 QJFWBPJHKVWFOD-LBPRGKRZSA-N 453.720 3.896 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC)cc1 14654187 NQPLWSHAJATMHP-UHFFFAOYSA-N 492.395 3.752 50 10 JHGE Cc1cccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)c1 14667336 VNRKOLNOPNHZNT-UHFFFAOYSA-N 464.385 3.742 50 10 JHGE COc1ccc(/C(C)=N\NC(=O)c2ccc(OC)c(OC)c2)cc1CSc1ncccn1 33618016 VGSFYAJPHYALCT-YSMPRRRNSA-N 452.536 3.949 50 10 JHGE O=C1C[C@@H](I)[C@](c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1 33902582 UBQSMYZUMKSSBD-OFNKIYASSA-N 488.369 3.687 50 10 JHGE C[C@H](Br)C[C@@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703966361 FKRYIPKDPQLSSG-HOTGVXAUSA-N 485.444 3.667 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(O)c(OCC)c2)cc1 1084361148 GKQMOXYAIVWUSP-SFHVURJKSA-N 465.344 3.916 50 10 JHGE C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 1086836829 BHTHBTRZZDYZTI-AHQQAOBSSA-N 453.352 3.864 50 10 JHGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C 1135761798 MIURMWSJEHVCOF-UHFFFAOYSA-N 455.518 3.919 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(-c3nnsc3Cl)c2)cc1 1671983566 YKRCNROQYORJOC-LBPRGKRZSA-N 459.915 3.681 50 10 JHGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(F)cc4)c(C)c32)cc1 1772745095 RUVAVIFMNPGHKF-UHFFFAOYSA-N 462.481 3.581 50 10 JHGE CCCOc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OCC 1860772945 LMXGWONFAHVIGE-WMMPRDMWSA-N 482.606 3.921 50 10 JHGE COc1ccc2c(c1)c(/C=N/NC(=O)[C@@H](C)n1cnc3sc4c(c3c1=O)CC[C@@H](C)C4)cn2C 1860774439 WWICOHUYYSLPQC-WPIFTDAKSA-N 477.590 3.794 50 10 JHGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707483 XVHQBIDUNZHPDL-QHCPKHFHSA-N 481.597 3.720 50 10 JHGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865710699 FNNSDXJNZBPWBG-QFIPXVFZSA-N 450.470 3.623 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714807 QQKATPLWAJORST-OAQYLSRUSA-N 482.456 3.775 50 10 JHGE Cc1c(C#C[Si](C)(C)C)cc(B(O)O)cc1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887519672 GSVBORYWSUTONY-UHFFFAOYSA-N 483.449 3.942 50 10 JHGE C[C@H](Br)CN1CCN(Cc2ccc(I)c(Cl)c2)CC1 2142949068 GPDAUXCQVQMUNG-NSHDSACASA-N 457.581 3.846 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1Cc1ccc(I)c(Cl)c1 2142949628 LJBURFAVRRPZNQ-NEPJUHHUSA-N 457.581 3.844 50 10 JHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)C2(CC1)CC2 2163673224 LDRGACTUUNHYIQ-UHFFFAOYSA-N 459.406 3.746 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1c(C)oc(C)c1CBr 2179788745 GZASYTLRAAJRSV-UHFFFAOYSA-N 460.390 3.645 50 10 JHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1 2268641576 BXFUGVODVLNKFL-WGDIFIGCSA-N 486.377 3.567 50 10 JHGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cncc(CBr)c1 2283298615 JKVSUKOFUZODFS-OALUTQOASA-N 453.402 3.981 50 10 JHGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2314776891 ZOXITCKFKAXSCG-UHFFFAOYSA-N 468.506 3.763 50 10 JHGE C[C@@H](CCl)[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364209040 OJAGPTMXBJXJJZ-FXAWDEMLSA-N 455.020 3.902 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCCl)Cc1cccs1 2364213835 JEDBLHKXAUXZHW-UHFFFAOYSA-N 469.028 3.975 50 10 JHGE CS(=O)(=O)[C@H]1C[C@H](CO[C@@H](CI)c2ccccc2Br)C1 2381027750 DORXBXCWJXJZSI-MJVIPROJSA-N 473.170 3.765 50 10 JHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)c(Br)c1 12571178 OTMZLHOJORUNHV-UHFFFAOYSA-N 486.391 3.554 50 10 JHGE CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642131 UOTFMMMZBSSYSC-UHFFFAOYSA-N 482.334 3.915 50 10 JHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl 14662523 HUFPITWWUVXGDS-UHFFFAOYSA-N 462.127 3.856 50 10 JHGE CCn1nc(C(=O)NNC(=O)/C=C/c2ccc(-c3ccccc3F)s2)c2ccccc2c1=O 58637324 VVXOYDSYFYWKRL-WYMLVPIESA-N 462.506 3.758 50 10 JHGE C/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccccc1 58990768 SKRGDWJYEXFNPK-UCQKPKSFSA-N 473.400 3.834 50 10 JHGE COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1O 96286792 ALLSARSRJUHOJP-WYMPLXKRSA-N 468.853 3.979 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)c2cccc(Br)c2)C1 118671865 DDVUHHOXQALZPO-NSHDSACASA-N 475.040 3.911 50 10 JHGE CCOc1c(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)cccc1OC 169927866 UXSSGANGFBOEOF-YSMPRRRNSA-N 457.490 3.838 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC[C@H](CBr)C1 232472398 IECONUDMWJOPAQ-MRVPVSSYSA-N 472.946 3.911 50 10 JHGE CS(=O)(=O)CCOc1c(Br)cc(CBr)cc1Br 235033037 SCZQWGLXPFDGLW-UHFFFAOYSA-N 450.974 3.530 50 10 JHGE COc1cc(C=NNC(=O)CNC(=O)c2ccc(C)cc2)ccc1OC(=O)/C=C\c1ccccc1 254763365 LEPMQCHXDXTWSL-OXRXYBJZSA-N 471.513 3.503 50 10 JHGE COCC[C@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 379669153 CSVGEQNCLOLQME-SECBINFHSA-N 494.043 3.598 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCN2C[C@@H](Br)C[C@H]2C1 405250386 COZNUHKULGCWKR-QWRGUYRKSA-N 466.999 3.505 50 10 JHGE O=C(NC1(CCl)CCOCC1)c1ccc(I)c(Br)c1 721620246 NEZZDVDRZAFQOH-UHFFFAOYSA-N 458.521 3.572 50 10 JHGE CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 1084318550 FCCQNZJMHIZTSV-UHFFFAOYSA-N 482.537 3.520 50 10 JHGE COc1ccccc1N(CC(=O)NN=Cc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 1084475785 REXJWFIRXLXYEU-UHFFFAOYSA-N 475.929 3.833 50 10 JHGE CCc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688921 FRMSBZNJSKXROT-QGZVFWFLSA-N 468.311 3.525 50 10 JHGE C/C(=N\NC(=O)c1ccc(-c2ccc(F)c(F)c2)nc1C)c1ccc2c(c1)N(C)C(=O)CO2 1865763100 UWHJHWHGEGNYAX-XODNFHPESA-N 450.445 3.844 50 10 JHGE COc1cccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 1872744471 UFVVQYAHONVITQ-ZPHPHTNESA-N 462.443 3.816 50 10 JHGE COc1cc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccc(C)cc1 1873496206 JBYLDKHIEDJFDH-LQKURTRISA-N 470.529 3.902 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCCl)Cc1ccccc1 1888220177 VNVBKNOIMRQRHH-UHFFFAOYSA-N 462.999 3.914 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Br 1924807671 ZTFZGDATZQNJSQ-LPHOPBHVSA-N 497.455 3.716 50 10 JHGE N#CCc1ccc(CBr)c(I)c1I 2060171186 ZQSWWXNACBFECG-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Br)c(N)c1 2061262200 KYXYABXDYAEOTO-UHFFFAOYSA-N 450.424 3.667 50 10 JHGE CC1(C)[C@H](CBr)OCCN1c1ncc(I)cc1Br 2069536746 ZTVDRBVKVNYKMV-JTQLQIEISA-N 489.977 3.827 50 10 JHGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)CCC(F)(F)CBr)C1 2123366407 YOIIPVMNURTGNQ-QGZVFWFLSA-N 453.393 3.723 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@]2(CBr)CCCC[C@@H]12 2165244196 RULRJZPSVMXSJY-KNQAVFIVSA-N 497.455 3.812 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](CCl)C2(CCCC2)C1 2175226941 BHRDWAWDUQHCIB-QGZVFWFLSA-N 453.004 3.514 50 10 JHGE COc1ccc(CBr)cc1S(=O)(=O)N1CC[C@H](COCc2ccccc2)C1 2179860360 QMFXGVBVZYSXLI-SFHVURJKSA-N 454.386 3.818 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2OCC[C@]2(CCl)C1 2296369784 NVYHJTSBRQAYKF-OCCSQVGLSA-N 470.532 3.524 50 10 JHGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNc1cc(C(=O)OC)ccc1C(=O)OC 2325072550 SUOJXBAGIOFIAE-MRXNPFEDSA-N 465.506 3.664 50 10 JHGE CC[C@H]1[C@H](CBr)CCN1C(=O)c1c(Br)c(Br)nn1C 2338864731 XQGDNLYOAVWZFS-YUMQZZPRSA-N 457.992 3.581 50 10 JHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c1 10276245 YOKDRIJGQLKNKO-UHFFFAOYSA-N 477.586 3.570 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCc3ccccc3)cc2)c1 12501953 SWWICLIBDUMHAB-UHFFFAOYSA-N 460.559 3.516 50 10 JHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC)cc2)cc1 14029090 XWGOAFKZZQTPJV-UHFFFAOYSA-N 470.595 3.944 50 10 JHGE CC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])c1 40593490 WGUWEQJGYMYNDL-UHFFFAOYSA-N 471.271 3.850 50 10 JHGE ClCc1cnc(-n2cnc(I)c2I)c(Cl)c1 380879077 VDDOVAZCLWFNBQ-UHFFFAOYSA-N 479.874 3.869 50 10 JHGE COc1ccc(N2NOC(=O)/C2=C(/O)N=C2[S+]=C3C[C@@H](c4ccccc4)CCC3=C2C#N)cc1 585673282 MOSQKEANDBUKDX-INIZCTEOSA-O 473.534 3.660 50 10 JHGE Cc1ccc(COc2c(Cl)cc(C=NNC(=O)CN3CCOCC3)cc2Br)cc1 1084138171 AWWNNKZZFDJZHD-UHFFFAOYSA-N 480.790 3.772 50 10 JHGE COc1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(OC)c1 1084304952 CIKULWUNUWSZIK-UHFFFAOYSA-N 487.965 3.703 50 10 JHGE C=CC[C@]1(C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1634947173 ZBXOWQBGUIUEHJ-OAQYLSRUSA-N 454.474 3.787 50 10 JHGE C[C@@H](Br)[C@@H](NC(=O)c1cccc(F)c1I)C(F)(F)F 1882674681 OCTXSSZFIHXAEU-MLUIRONXSA-N 453.999 3.874 50 10 JHGE Cn1cnc(CC(CBr)(CBr)c2cccc(Br)c2)n1 1892605132 YUWYEMJNRHWNRV-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE Cc1nc(I)c(I)n1C[C@H]1C[C@H](Br)C1 1893201154 RMBRBBWZBYQKAX-LJGSYFOKSA-N 480.913 3.574 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 2030274714 HKBGMTQAPBIDJN-RTCCRHLQSA-N 484.957 3.767 50 10 JHGE N#CC(=Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccc([N+](=O)[O-])cc1 2053589606 NVCOJEJKVJMAIH-UHFFFAOYSA-N 465.487 3.940 50 10 JHGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1cc(Br)c(Br)s1 2072946930 HXLLAIXXYLUKIS-POYBYMJQSA-N 462.001 3.803 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCN3CCC[C@@H]3C2)C1 2078757498 BRCQQPYJVPSIKC-JTDSTZFVSA-N 464.388 3.835 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2179833759 WMXIHFLKTWVEFV-MOPGFXCFSA-N 453.402 3.850 50 10 JHGE COc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1Cl 2295464473 JWAILXHOPDZFIP-UHFFFAOYSA-N 477.904 3.999 50 10 JHGE CC(NNC(=O)c1cccnc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2313682518 DZMOOVPWVDMKIN-UHFFFAOYSA-N 454.515 3.651 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CBr)CC2(CCC2)C1 2364194070 BEQHDJPQSQVLCU-UHFFFAOYSA-N 497.455 3.860 50 10 JHGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1ccc(Cl)cc1I 2365584670 RHMXFUAGXBMBBF-KBPBESRZSA-N 470.532 3.761 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2OCC[C@]2(CBr)C1 2365591545 HNLXDBUZTYWLFR-JSGCOSHPSA-N 470.532 3.571 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCOC)cc1 14662643 LCTXSBWUFICKHS-UHFFFAOYSA-N 492.370 3.678 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccccc1F 38652026 VEBKXYCIOARKSU-QHCPKHFHSA-N 461.405 3.936 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1ccccc1Br 58988889 OFHVLZSQSWXTCD-DHRITJCHSA-N 498.410 3.925 50 10 JHGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1ccc(I)c(O)c1 236587971 NWCOYTPLCWNJMK-RYUDHWBXSA-N 452.130 3.928 50 10 JHGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(CN2CCc3ccccc3C2)cc1 252631352 VJWDPJSOTWMRDG-UHFFFAOYSA-N 499.571 3.754 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3O)nnc2-c2ccccc2)cc1 254593133 PXJDUKNNTSDVRY-UHFFFAOYSA-N 489.557 3.900 50 10 JHGE CO[C@@H]1C[C@H](CCl)N(C(=O)c2cc(I)ccc2Br)C1 311681098 QVIWQBDJBCAEAS-NXEZZACHSA-N 458.521 3.522 50 10 JHGE C[C@@H](CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)NC(=O)C1CCCCC1 727293360 VCMJDPAMXLMRLL-KRWDZBQOSA-N 455.530 3.641 50 10 JHGE C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccc(CSc3ccc(Cl)cc3)cc1)CS2 860794496 CUAARYUNTKGVLZ-AVRDEDQJSA-N 476.023 3.847 50 10 JHGE CC(=NNC(=O)c1ccccc1Br)c1ccc(OCC(=O)N2CCCCC2)cc1 916247653 QDUBAUZDYDHRFV-UHFFFAOYSA-N 458.356 3.994 50 10 JHGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)cc1 1083850874 XUGKCBKJRKIQTL-UHFFFAOYSA-N 460.534 3.976 50 10 JHGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)CC1 1084459190 MCVXISFGQAQKIH-UHFFFAOYSA-N 487.604 3.518 50 10 JHGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1865759797 SOHOYVJMBZEFNJ-HNNXBMFYSA-N 474.508 3.743 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@H](OCc2ccccc2)C1 2009621493 GPRZWTHXNLYIGZ-ZDUSSCGKSA-N 479.190 3.917 50 10 JHGE CN1CC[C@H]([C@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2029047703 VEMWXVCBJZJUDS-GHMZBOCLSA-N 462.001 3.682 50 10 JHGE O=C(Cl)c1cc(I)c(I)c(OC(F)F)c1 2060174921 SNGLJRLZCXCIMM-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE O=S(=O)(NC[C@H](CBr)C(F)(F)F)c1ccc(Br)cc1Cl 2161573969 BIPGNDLTDQVADI-LURJTMIESA-N 459.509 3.954 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NC(=O)N2CCC(Br)CC2)C1(C)C 2162866942 CLOKHANCAWVZDJ-PFUSGODGSA-N 466.442 3.757 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1c(Br)cccc1Br 2178906614 KWYDFFQXUNLNAF-ZJUUUORDSA-N 469.015 3.751 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179871144 WGEGNMQORKIUEV-UHFFFAOYSA-N 453.402 3.851 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185293313 NDCOWPDYIKKILM-TVYUQYBPSA-N 467.983 3.979 50 10 JHGE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1csc(N(C)C[C@H]2C[C@@H]2Br)n1 2198793573 ZSJJUEDDBWLGTB-FRRDWIJNSA-N 462.410 3.882 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)Cc1ccsc1Br 2218987902 RNUIQASFKGJVOE-UHFFFAOYSA-N 484.073 3.869 50 10 JHGE CCN1CCC[C@H]([C@@H](Br)c2c(F)cccc2I)S1(=O)=O 2282903484 IRCYGYZWYVYNAC-DGCLKSJQSA-N 476.149 3.680 50 10 JHGE O=C(c1cc(I)sn1)N1Cc2ccccc2C[C@H]1CBr 2296504410 UKZJCTYSUSGCFD-NSHDSACASA-N 463.138 3.710 50 10 JHGE CCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 2314616485 BWJAFYNSFBAKAL-UHFFFAOYSA-N 476.529 3.946 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2323278417 RQNFDZGANKDXDT-LHSJRXKWSA-N 493.692 3.629 50 10 JHGE COc1ccc(C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1[N+](=O)[O-] 2326841462 DVXQLCVWOKGRDM-UHFFFAOYSA-N 464.865 3.938 50 10 JHGE C[C@@H]1C[C@@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843517 AKLWTSCYESOXGO-SJORKVTESA-N 485.444 3.668 50 10 JHGE CC[C@]1(C)[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338846378 YMNLOTQLCFMSOU-GHTZIAJQSA-N 485.444 3.811 50 10 JHGE Cn1cc(I)c(CN2CCC(CBr)(CC(F)F)CC2)n1 2367610963 LPYNFRZVKDKKGC-UHFFFAOYSA-N 462.120 3.657 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC)c(Br)c1 9695901 YSVZVKMXPFFKFH-UHFFFAOYSA-N 486.160 3.623 50 10 JHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 14036204 BMLDAWFGDULYJN-UHFFFAOYSA-N 494.411 3.733 50 10 JHGE C[C@H]1C[C@@H](C)CN(C(=O)CCC(=O)NNc2nc3ccccc3c3nc(-c4ccccc4)nn23)C1 20286932 LMUROYBVEVGDNY-HDICACEKSA-N 471.565 3.672 50 10 JHGE CC(C)Cc1nc(N2CCN(C(=O)C(C)(C)CCl)CC2)c2cnn(-c3ccccc3)c2n1 35925460 JWGGJOFCFHBVSO-UHFFFAOYSA-N 455.006 3.928 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812171 OKNPVRGBNUWEDJ-YZSQISJMSA-N 476.445 3.948 50 10 JHGE CCCN1C(=O)C(=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c2ccccc21 254554732 ZBYJAFISRKRJJR-UHFFFAOYSA-N 485.569 3.711 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2ccc(I)c(Cl)c2)C1 388721726 JMDJBKPTDDYVNI-NXEZZACHSA-N 458.521 3.569 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)c2ccc(Br)cc2Br)C1 401653918 MFUWUIYFFIGRLN-ZDUSSCGKSA-N 455.972 3.838 50 10 JHGE C[C@@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1cc(F)ccc1N1CCC(O)CC1 730680388 BSLSMRVXPPEEJM-MRXNPFEDSA-N 456.562 3.790 50 10 JHGE C[C@@H](Oc1ccc(Br)cc1)C(=O)NN=Cc1cccc(I)c1 1084545887 OLHANECDRHTFTR-LLVKDONJSA-N 473.108 3.971 50 10 JHGE Cc1cc(C(=O)NC2CCN(C(=O)/C(C#N)=C/c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)no1 1318052458 BDFPHQMKXIPGSW-XSFVSMFZSA-N 475.524 3.858 50 10 JHGE CC(=O)N[C@H](C(=O)NNc1ccc(Br)c(F)c1)c1cccc(Br)c1 1638848296 PWRJIDVUQNUCBT-HNNXBMFYSA-N 459.113 3.671 50 10 JHGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccccc1)CCC2 1772749088 HHBQTVFGWJKDFN-UHFFFAOYSA-N 475.501 3.863 50 10 JHGE CCN(CC)c1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860772799 HDSXOMCTSIVOED-NLOAGFHQSA-N 451.596 3.579 50 10 JHGE CCc1ccc(OCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852263 QMSUAEHTJDZXIY-IAGOWNOFSA-N 496.633 3.713 50 10 JHGE COc1cc(I)c(Cl)cc1C(=O)N(C)C[C@H]1C[C@H]1Br 1887829281 HWLFJDOYEAFTDB-VXNVDRBHSA-N 458.521 3.809 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CC[C@](C)(CI)O2)C[C@]12CCCOC2 1950594215 SRRXEHITNQLEPL-SQNIBIBYSA-N 451.345 3.919 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1scc(Br)c1Br 2036673734 QOPSBJDXIXTVEO-BQBZGAKWSA-N 462.001 3.945 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CCCC12CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2163059077 QEAQNNYSSCFFQY-INIZCTEOSA-N 459.406 3.649 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189066393 JZHLBHSODGCGQH-IWIIMEHWSA-N 467.983 3.694 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC[C@@]2(C[C@@H](Cl)CO2)C1 2201783012 YTOZJSQGQYAMGX-QMTHXVAHSA-N 470.532 3.666 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNS(=O)(=O)c3ccc(CBr)cc3)C[C@H]21 2205602299 DSXWDPNPNSWZMS-DJIMGWMZSA-N 459.406 3.505 50 10 JHGE CC(C)[C@H](Br)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2211441043 YKZPIOGPNMJJLI-INIZCTEOSA-N 492.455 3.722 50 10 JHGE COc1ccc([C@@H](Br)C2CC(S(C)(=O)=O)C2)cc1I 2269879657 LXHJRNKDTZGXKP-SRHKJQAYSA-N 459.143 3.559 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NCCOCCCBr 2277959339 RMPGWMASVJHMBR-UHFFFAOYSA-N 457.988 3.672 50 10 JHGE COc1ccc(C(=O)N=C2NC(=C(C#N)C(=O)NC3CCCCC3)c3ccccc32)cc1OC 2296532698 JFSNABFBYXHJMG-UHFFFAOYSA-N 458.518 3.578 50 10 JHGE CCCn1c(C)cc(C=C(C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C 2297356585 APXZDUSBTCHUKI-FQEVSTJZSA-N 489.576 3.790 50 10 JHGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1OCc1ccccc1 2322975179 YAHACOYGQXDVID-UHFFFAOYSA-N 450.407 3.855 50 10 JHGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccccc4C(=O)O)cc3[nH]2)cc1OC 2323720324 LRARCTBNLVAMTM-UHFFFAOYSA-N 458.474 3.633 50 10 JHGE CCCCc1ccc(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2324474239 RRIGGKJHWLGZJE-UHFFFAOYSA-N 466.607 3.690 50 10 JHGE CC(C)[C@H]1C[C@@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)CN1C(=O)OCc1ccccc1 2324772585 JLXYZKVPKMXLOZ-IKVWTGGYSA-N 453.377 3.640 50 10 JHGE CC[C@H](NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 2325092750 DZGKLBCNIYXFLR-SANMLTNESA-N 492.645 3.547 50 10 JHGE CCc1cccc(C)c1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325165382 PHJYHXKQGMLMFI-UHFFFAOYSA-N 488.997 3.690 50 10 JHGE Cc1ccnc(CNCC(F)(F)C(F)(F)CI)c1Br 2336537483 XJVMZDYDZAXXIN-UHFFFAOYSA-N 455.031 3.948 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)CCC2CCCCC2)c(Br)c1 14029323 IMZGEZOAJQKFCU-UHFFFAOYSA-N 470.433 3.773 50 10 JHGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039683 ZTUDWEXWNPJKOB-UHFFFAOYSA-N 499.976 3.512 50 10 JHGE Cc1cccc[n+]1[C@@H]1[C@@H](c2ccc(Br)cc2)C(C#N)=C(C(C#N)C#N)N[C@@]1(O)C1CC1 19805016 SDAQYBHKEWFTER-QPTUXGOLSA-N 475.370 3.513 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38654284 ZMOVOYDWMMJUMH-NRFANRHFSA-N 458.386 3.940 50 10 JHGE C[C@H](Sc1ccccn1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 59463406 ZTBRUHLLOWRJCP-VFKKPVCESA-N 459.163 3.943 50 10 JHGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1cccc(I)c1 100449584 IDZKDNRNGNJCOF-UHFFFAOYSA-N 472.282 3.798 50 10 JHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N(CC#N)CC#N)[C@@H]2Br 100921971 YCWFJAQXPKXFGB-IIMNLJJBSA-N 482.014 3.548 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 303121854 FXFPLRPLBVMROP-UHFFFAOYSA-N 489.395 3.502 50 10 JHGE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F 726276501 AJIWYLJJJMWBDR-YOEHRIQHSA-N 466.957 3.970 50 10 JHGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)NCc2ccc(C#N)cc2F)cc1OC 729845652 FQJFMGPGSYQQMT-JAIQZWGSSA-N 484.491 3.715 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NNc2ccccc2C(F)(F)F)cc1 920850763 FQAYLRXAQKDNRQ-VBKFSLOCSA-N 498.465 3.503 50 10 JHGE CC(C)(C)OC(=O)Nc1nc2cc(NS(=O)(=O)CI)ccc2s1 1905527755 QSEWUJKTVBPAQK-UHFFFAOYSA-N 469.326 3.778 50 10 JHGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NCC2(CBr)CCOCC2)C1 2115611284 UFJMYFCLVFTNAQ-PEOFPKNDSA-N 453.443 3.579 50 10 JHGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)CCC(F)(F)CBr 2179954899 SUNISJXUBNKOJR-JWTNVVGKSA-N 465.404 3.864 50 10 JHGE COc1cc(Br)c([C@H](Br)c2nn(C)nc2Br)cc1OC 2235269371 MJRBOMNTZXEJDT-JTQLQIEISA-N 469.959 3.842 50 10 JHGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(CCCCI)C2 2243590396 DHIWYCBYYZDNMN-UHFFFAOYSA-N 451.374 3.741 50 10 JHGE CO[C@@]1(CBr)CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 2283660545 CKYVZDSJTFREFW-CQSZACIVSA-N 472.548 3.961 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(N3CCC[C@@H](C)C3)nc12 2297065317 SIZQWQLEUZKCTJ-LJQANCHMSA-N 455.562 3.505 50 10 JHGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc3cc(OC)ccc3oc2=O)c(OCC)c1 2314773806 CISXGNPMSOOVDZ-UHFFFAOYSA-N 463.442 3.890 50 10 JHGE CN(CC1CC(Br)C1)C1(C(=O)O)CCC(NC(=O)OCc2ccccc2)CC1 2321853694 SGDIJXUIDIDIAR-UHFFFAOYSA-N 453.377 3.784 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)[C@H]1CC=CCC1 2364214942 QNMQJDPTQRRNFD-FXAWDEMLSA-N 497.455 3.882 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccc(OC)c(OC)c1 33959189 RVZLZSBGYNVTKS-CVKSISIWSA-N 464.474 3.791 50 10 JHGE Cn1c(/C(C#N)=C\c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)nc2ccccc21 35058323 HLBGGEVMRPZTJR-MNDPQUGUSA-N 474.542 3.918 50 10 JHGE O=S(=O)(N[C@@H]1CCC[C@H]1Br)c1cc(Br)ccc1Br 122373623 QXXOPAMCSCAWQV-PSASIEDQSA-N 462.001 3.806 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](Br)C1 232461000 RWWMTXAXDIIZCJ-SSDOTTSWSA-N 458.919 3.663 50 10 JHGE Cn1ncc([C@@H](Br)c2cc3c(cc2Cl)OCCO3)c1I 379213414 ONZBRNUKKDAIRD-LBPRGKRZSA-N 469.504 3.934 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2coc(Br)c2)C1 393557939 SDDCLWLPNFRFKG-SNVBAGLBSA-N 479.028 3.796 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)c2cc(Br)sc2Br)C1 401586282 MZUQVIZXFVKIFE-NSHDSACASA-N 462.001 3.899 50 10 JHGE CCOc1ccc(OCC)c(NC(=S)NNC(=O)c2cnc3c(cnn3CC(C)C)c2)c1 727492389 PAJGDSWKOLXOOC-UHFFFAOYSA-N 456.572 3.516 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NS(=O)(=O)C2=Cc3ccccc3CC2)c(-c2ccccc2)n1 746426563 BHQPNANUJCWGRS-JCMHNJIXSA-N 483.553 3.804 50 10 JHGE CCOc1cc2c(cc1/C=C(\C#N)c1nnc(N3CCOCC3)n1-c1ccccc1)O[C@@H](C)C2 1087623876 KGBXYFIYLBKTLI-SXZORUHJSA-N 457.534 3.890 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc3nc(C(F)(F)F)oc3c2)cc1 1476794400 WZAZLQOZIPRKNK-NSHDSACASA-N 450.373 3.669 50 10 JHGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@@H](CBr)C2CC2)C1 1560114036 ATCZEMJRSJEAAB-LJQANCHMSA-N 453.421 3.892 50 10 JHGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749905 RHUALBDIAOOJPW-UHFFFAOYSA-N 451.548 3.858 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C45CC6CC(CC(C6)C4)C5)c(=O)c23)C1 1860770937 CNPHGJMEYFWTJF-CVJYTPBNSA-N 468.623 3.508 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](OCCOCCOCc2ccccc2)[C@H](I)C1 1881765228 QKUSHEGANIRPJZ-MSOLQXFVSA-N 491.366 3.659 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CCBr)s1 2123242488 XEMGTSUSXDLKBN-INIZCTEOSA-N 457.459 3.971 50 10 JHGE C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2164467097 ORTNIRZMNMBHGZ-HUUCEWRRSA-N 461.422 3.990 50 10 JHGE O=S(=O)(c1ccc(F)c(CBr)c1)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179792603 IJHAKZDHHUHJFP-WMZOPIPTSA-N 453.377 3.616 50 10 JHGE C[C@@H](Cl)C[C@@H]1COCCN1C(=O)c1ccc(I)c(Br)c1 2185296071 FTIDCGGBSABPEA-MWLCHTKSSA-N 472.548 3.912 50 10 JHGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)c(O)cc1O 2320557121 BDGPZWQURAUGDN-ZDUSSCGKSA-N 473.161 3.961 50 10 JHGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2c(Br)c(Br)nn2C)[C@H]1C 2344524062 SISDIZRPVQUOKK-FXQIFTODSA-N 457.992 3.579 50 10 JHGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1 881343 GHVIEVXOOKWREB-GHRIWEEISA-N 451.504 3.621 50 10 JHGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4cccc5ccccc45)c3[N+](=O)[O-])CC2)cc1 40611232 LXIKISQNFZTEHS-UHFFFAOYSA-N 499.531 3.630 50 10 JHGE O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658052 AEFQVRYYZJSFRZ-UHFFFAOYSA-N 474.231 3.556 50 10 JHGE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814540 IDRHFDABANNSJK-OVVQPSECSA-N 461.478 3.851 50 10 JHGE COCCCNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 100869308 LQCMANSTLDOGTO-BIGNPOOSSA-N 476.047 3.825 50 10 JHGE C[C@H](Br)[C@@H](C)NC(=O)c1ccc(I)c(Br)c1 721592154 FNDOVGDHOLFYHU-NKWVEPMBSA-N 460.935 3.955 50 10 JHGE Cn1cc(C(=O)NNC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c2ccccc21 728942116 MEHNKJAVGXCQHF-QFIPXVFZSA-N 484.000 3.628 50 10 JHGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)c(OC)c1 1084151273 KZNHZWVURVHDBK-UHFFFAOYSA-N 454.914 3.854 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 1176937406 LHDGCNQFFKCUSW-HXUWFJFHSA-N 452.580 3.512 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCCC2(CCC2)[C@@H]1Cl 1924818334 OSEKDNBGHOZPOF-QFBILLFUSA-N 453.004 3.560 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1C(=O)Nc2ccc(I)cc21 1975073028 SXBWZZDFYMEMKU-NWDGAFQWSA-N 481.128 3.615 50 10 JHGE Cc1cccc(C(=O)N2CCC(CI)CC2)c1I 2037334044 HEZGPGWQGNWLOE-UHFFFAOYSA-N 469.104 3.887 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CC[C@H](OCCBr)C1 2046758338 PLEIGWRRVQATIY-ZETCQYMHSA-N 462.001 3.899 50 10 JHGE COCC[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2086147197 KLLXPQZOZMEHIS-SECBINFHSA-N 490.961 3.584 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H](Br)c1ccccc1 2089707441 OAAQMEJOWPETEB-IBGZPJMESA-N 479.396 3.509 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCC[C@H](CBr)C1 2089707907 UCFHDKGKQIMGGZ-DLBZAZTESA-N 485.444 3.574 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201762462 HFAWLIHNVQWQPF-LKFCYVNXSA-N 470.532 3.713 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@@H]1CCCN(C)C1)C(=O)OC(C)(C)C 2214887397 VYALJZWBEOBLHF-CRAIPNDOSA-N 454.393 3.796 50 10 JHGE Cc1ccc(C(=O)N2C[C@H](CBr)OCC2(C)C)cc1I 2232827566 PEGOILGCQFKLDF-LBPRGKRZSA-N 452.130 3.614 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(F)cc2)c(Br)c1 2313624999 NEDKLKYMEIDKAM-UHFFFAOYSA-N 494.386 3.826 50 10 JHGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 2313861670 CWUIONUSGZAHAF-UHFFFAOYSA-N 497.360 3.796 50 10 JHGE N#CC(=Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2325306939 QFKAYQKXUSROMK-VWLOTQADSA-N 468.509 3.955 50 10 JHGE ClC[C@]12CCO[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349831420 TXONUVCCNXGLMB-KBPBESRZSA-N 456.549 3.883 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)[C@H]1C(F)(F)F 2377536731 YTHOFZFOUMOGII-CENBSLRLSA-N 459.303 3.535 50 10 JHGE O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NNC(=O)c1ccccc1Br 1208734 GPJAAQUKANUPFQ-FOWTUZBSSA-N 490.404 3.502 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@@H](C)C(=O)NNC(=O)C(C)C 59877804 UKNSMRNYOBPWID-INIZCTEOSA-N 452.584 3.513 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2F)CCC3)cc1 101598179 LLJPDKMNZZNBOD-ZXVVBBHZSA-N 462.481 3.581 50 10 JHGE COc1cc([N+](=O)[O-])cc(C2=NN(C(C)=O)[C@@H](c3cccc(Br)c3)O2)c1OC(C)=O 102619117 SNEYGLFACNZEEO-LJQANCHMSA-N 478.255 3.530 50 10 JHGE O=C(NCCCCI)c1cc(Cl)ccc1I 236048547 ZFPBNBBJIBAZSF-UHFFFAOYSA-N 463.484 3.890 50 10 JHGE CC(=NNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 252640461 YUJMSCZILGOFNH-UHFFFAOYSA-N 498.927 3.770 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(O)c(I)c1 254601103 LUMUOOBOBWJNOC-UHFFFAOYSA-N 465.074 3.833 50 10 JHGE Cc1csc([C@H](C)NC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)n1 727678204 KWJHHFIWNOSZFN-FSEGOYHTSA-N 468.970 3.628 50 10 JHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(F)cc2)c2ccc(C)cc2)cc1OC 1083891072 IPHOPHXVHIBITM-UHFFFAOYSA-N 499.564 3.887 50 10 JHGE COc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)ccc1O 1084258111 YIOQTRDMWRZLJG-UHFFFAOYSA-N 487.965 3.784 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C(F)(F)C1 1260512109 FWBXTNYAXLWCDX-AWEZNQCLSA-N 469.348 3.505 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)cc1 1562550134 VDXVHHLUUAEFIV-OAHLLOKOSA-N 455.902 3.657 50 10 JHGE CC(=O)c1cc(NC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)ccc1C 1672651324 QATJOSDJRWSUIG-RUZDIDTESA-N 456.546 3.977 50 10 JHGE CCOC(=O)c1cc(CBr)c(OC(F)(F)F)nc1I 1848387545 CZSJFNFBZJTOMT-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(OC)c(OC)c(OC)c1 1865692280 KUVQOABXLCVEES-HXUWFJFHSA-N 462.506 3.823 50 10 JHGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865852326 SMRXSTMBWRYTMP-KRWDZBQOSA-N 482.606 3.521 50 10 JHGE CC(C)[C@@H](CI)NC(=O)c1cc(I)ccc1F 2003648687 AMKCLOOTAUWEBG-LLVKDONJSA-N 461.056 3.620 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@@]23CCOC3)CC1 2021276675 LQLGAOLGMLLIRL-WMLDXEAASA-N 451.345 3.634 50 10 JHGE CCOc1cc(I)c(C(=O)CBr)c(I)c1 2060134438 YVZUVKHNYQRZPJ-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE Cn1nnc(Br)c1CC(CBr)(CBr)c1ccccc1 2089736545 PGSPFYKNDDVDJD-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE CCCn1cc(S(=O)(=O)N(CCCN(C)C)Cc2ccccc2)cc1CBr 2179857967 HKHBKOBDRKNPGP-UHFFFAOYSA-N 456.450 3.936 50 10 JHGE CN1CCC[C@H](CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2214887230 UBRQWTUPNYIVHJ-MAUKXSAKSA-N 452.377 3.550 50 10 JHGE COc1cccc2c1O[C@@H](C)C(C=C(C#N)C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)=C2 2314450681 LIMHNVVTUIURPL-KRWDZBQOSA-N 456.502 3.746 50 10 JHGE N#CC(=CN1CCCC[C@H]1CCO)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609670 JELMGHWOTFLZQP-SANMLTNESA-N 458.606 3.565 50 10 JHGE CN1CCN(Cc2ccc(I)c(Br)c2)[C@@H](CCCl)C1 2349859785 SBFCKDNIXOMVJE-LBPRGKRZSA-N 457.581 3.799 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCOCCI)C[C@@H]1c1ccccc1 2351585930 NDAJASIAPCOJCN-QZTJIDSGSA-N 474.383 3.678 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13981065 YGFOISUUOPEFKB-UHFFFAOYSA-N 455.736 3.831 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c(OC)c1 38688444 ISKQNQRYMJKTHK-DQEYMECFSA-N 486.480 3.667 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(OC)c(OC)c1 58987624 AZBSWKVVFQAAOQ-PCLIKHOPSA-N 465.579 3.509 50 10 JHGE CCCCCc1ccc(-c2cc3cn([C@@H]4C[C@@H](OC(=O)CCl)[C@H](CO)O4)c(=O)nc3o2)cc1 207825140 MKQBIMMSDQMLOQ-HKBOAZHASA-N 474.941 3.820 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(=O)O)nnc2-c2ccccc2)cc1 254477906 ZCFCKBHVZCQBNL-UHFFFAOYSA-N 487.541 3.884 50 10 JHGE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3cc(C)n(CC(C)C)c3C)CC2)cc1 254616242 JUJDTXIULLBULJ-UHFFFAOYSA-N 488.654 3.711 50 10 JHGE C[C@H]1C[C@@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 384947851 AMFBEBKFFYMPFA-IONNQARKSA-N 462.001 3.758 50 10 JHGE COc1ccc(Br)c(C(=O)NNC(=O)c2cc3c(Br)cccc3[nH]2)c1 728526492 WZAOMWQBTZJEIR-UHFFFAOYSA-N 467.117 3.776 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccccc1O)S(=O)(=O)c1ccccc1 1083946085 PNDQIDIGYIVDFW-UHFFFAOYSA-N 467.547 3.527 50 10 JHGE Cc1cc(C)cc(OCC(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 1084533130 FWFAONCHRDOILM-UHFFFAOYSA-N 458.474 3.658 50 10 JHGE CC(C)(C)OC(=O)Nc1cc(CNS(=O)(=O)c2ccc(CBr)cc2)ccn1 1260512275 NRQSSZSXQLCBNM-UHFFFAOYSA-N 456.362 3.802 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745172 SJZDPSYFMFZWBK-UHFFFAOYSA-N 482.899 3.926 50 10 JHGE CC1(C)CC[C@H](Cl)[C@H](CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1927055259 ABKQUCMKKALUNW-YJBOKZPZSA-N 455.020 3.662 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179866407 HPDHAISRDLXOFL-HKUYNNGSSA-N 453.402 3.850 50 10 JHGE CN1CCC(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC1 2214840033 ABCHWMNSPGRUGV-GOSISDBHSA-N 452.377 3.550 50 10 JHGE CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1=CNNC(=O)c1ccccc1[N+](=O)[O-] 2294259044 DBYORVVMDGTHHT-UHFFFAOYSA-N 472.299 3.515 50 10 JHGE CN(C)C[C@H](Br)CN(C)C(=O)Cc1cc(Br)cc(Br)c1 2295318130 WDQHOSKJEASKQT-ZDUSSCGKSA-N 471.031 3.538 50 10 JHGE CC(C)N(CCOCCI)C[C@H]1CCCCN1C(=O)OC(C)(C)C 2306804008 DBZBYEMGZRUQJO-MRXNPFEDSA-N 454.393 3.938 50 10 JHGE O=S1(=O)CC[C@H]([C@H](CBr)Cc2ccc(Cl)c(I)c2)C1 2337226030 SLDFZMSJLFBWRO-QWRGUYRKSA-N 477.589 3.933 50 10 JHGE CC[C@]1(C)[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338846385 YMNLOTQLCFMSOU-WIYYLYMNSA-N 485.444 3.811 50 10 JHGE CCN(C[C@](C)(CBr)OC1C[C@H](C)S(=O)(=O)[C@@H](C)C1)C(=O)OC(C)(C)C 2352580291 QTCIZEPMTDIRBM-DEYYWGMASA-N 456.443 3.768 50 10 JHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644435 JNYCWMIIHOFDQR-LBPRGKRZSA-N 482.762 3.926 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 14834030 ZVUMJYJFHLBEGA-VGOFMYFVSA-N 458.971 3.818 50 10 JHGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\Nc1cc(C(=O)OC)ccc1C(=O)OC 217185488 SUOJXBAGIOFIAE-IYWFSZBXSA-N 465.506 3.664 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)c1ccccc1Br 232875974 NBNCGQVEJTVYLA-UHFFFAOYSA-N 464.017 3.666 50 10 JHGE C[C@@H](CBr)N(C)C(=O)c1cc(I)ccc1Br 235091563 AKZHEVAUHDYAKV-ZETCQYMHSA-N 460.935 3.909 50 10 JHGE COc1cc(C=NNC(=O)CNC(=O)c2ccc(C)cc2)ccc1OC(=O)/C=C/c1ccccc1 254763362 LEPMQCHXDXTWSL-CWCYOQKUSA-N 471.513 3.503 50 10 JHGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 725423659 OFMVTDUSBFVSKR-FQEVSTJZSA-N 492.956 3.653 50 10 JHGE Cn1c(O)nc2ncc(-c3cccc(C(=O)NNC(=O)c4ccc(Cl)cc4Cl)c3)cc21 771820913 CBUFJQZDPFKNLP-UHFFFAOYSA-N 456.289 3.723 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cn(C)nc1C 1083892624 SEVKPNFEENQIFJ-UHFFFAOYSA-N 474.594 3.514 50 10 JHGE CSc1ccc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 1084154706 USBSUJRTWUZGFE-UHFFFAOYSA-N 484.559 3.662 50 10 JHGE NNC(=O)c1ccnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 1088679686 IEJFZSJMAQAXCD-UHFFFAOYSA-N 455.174 3.880 50 10 JHGE C=CC[C@@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)OCC 1138146041 FGYQHDNFMJPJLL-MBGNVJMVSA-N 451.914 3.648 50 10 JHGE C[C@@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867077194 FQTOUWTVVXYUEV-QGZVFWFLSA-N 483.594 3.925 50 10 JHGE O=C(N[C@H](CBr)CC1CCOCC1)c1csc(I)c1 1883299220 BKQZOVDAABTLHC-NSHDSACASA-N 458.159 3.663 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1csc(Br)c1Br 2036684695 ZDZXNOKPZSGJTE-NKWVEPMBSA-N 462.001 3.945 50 10 JHGE CN(CC(F)(F)CBr)S(=O)(=O)c1cc(Br)ccc1Br 2094617682 NKNLKZFOIUDQPZ-UHFFFAOYSA-N 485.970 3.862 50 10 JHGE CC[C@H](Br)[C@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2114196107 HVYDWIRTNBQCBX-ZWKOTPCHSA-N 485.444 3.667 50 10 JHGE O=S(=O)(C[C@H](Br)c1ccc(F)cc1I)N1CCCCC1 2145635670 IBRCMRKVCNJKJE-LBPRGKRZSA-N 476.149 3.682 50 10 JHGE C[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)[C@@H]1CNC(=O)OC(C)(C)C 2163055787 KZGHDMFDNONFEG-WMLDXEAASA-N 461.422 3.895 50 10 JHGE CC(C)(C)[C@@H]1C[C@@H](CCl)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2165001348 YLRHMLGWOQMCRD-DLBZAZTESA-N 455.020 3.616 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185292057 FPCURFWNSCRVQQ-JHJVBQTASA-N 467.983 3.979 50 10 JHGE Cc1ccc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282686588 UWAJINKRFCJCPJ-UHFFFAOYSA-N 496.504 3.930 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C=Cc1ccc(F)cc1 2313617075 BKIXZWGYILTRAR-NSHDSACASA-N 456.326 3.635 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 2313892259 HSZQIMQZRLVJPA-QGZVFWFLSA-N 463.559 3.741 50 10 JHGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2cccc(OC)c2)c(OC)c1 2314789677 UIMZPNLMCVWJHY-KRWDZBQOSA-N 452.507 3.900 50 10 JHGE C[C@](NC[C@@H]1C[C@@H]1Br)(C(=O)O)c1cc(Br)c(Br)s1 2326181846 OTDOKVDZXJVWJZ-ZJXQECPTSA-N 462.001 3.946 50 10 JHGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)/C=C/c1ccccc1Cl 14031822 OBDGWWSISCYSLF-HFBDAHEESA-N 453.951 3.996 50 10 JHGE COc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])c(OC)c1 40619629 YFVIGYOKWHDJIL-UHFFFAOYSA-N 489.286 3.665 50 10 JHGE CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 40910420 JYEPKEYXZNDQLS-UFFVCSGVSA-N 450.289 3.890 50 10 JHGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1 100154417 NNFKRXJQJZZOMF-UHFFFAOYSA-N 498.649 3.768 50 10 JHGE C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)O)S/C1=N/NC(=O)Cc1ccccc1 100844278 AEJCVTQQIDHXIQ-QHTMYDGDSA-N 485.949 3.536 50 10 JHGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1Br 101233537 RKKBZVOPLXGDRQ-OQLLNIDSSA-N 457.240 3.655 50 10 JHGE CN(C)c1ccc2cc(C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc3ccccc3)ccc2c1 168389339 LJJCYRVBDASIDX-DEOSSOPVSA-N 494.039 3.906 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3O)n2-c2ccccc2)cc1 254853351 PGEJCMQJLKWQTP-UHFFFAOYSA-N 459.531 3.891 50 10 JHGE CSc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 725447153 DKRBZQLIMYZIHS-UHFFFAOYSA-N 467.616 3.792 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(F)c(Br)cc2F)cc1 1202098948 MVPZDUTWWVMHOG-SNVBAGLBSA-N 456.243 3.550 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719798 XLXLEVRYNMQOAC-UHFFFAOYSA-N 493.472 3.994 50 10 JHGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714087 CFMFHHFXSDJLOS-HXUWFJFHSA-N 450.470 3.574 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cccc(Br)c2Br)[C@@H]1Br 1910986760 SWSLGFKFMVPRAD-KOLCDFICSA-N 455.972 3.882 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1cc(Br)cs1 2023039795 UXXGDWGPNGLCIO-CBAPKCEASA-N 452.177 3.639 50 10 JHGE CN(CC(F)(F)CCl)C(=O)c1cc(Br)ccc1I 2033576178 RBSISTDRHDPYEA-UHFFFAOYSA-N 452.464 4.000 50 10 JHGE O=S(=O)(C[C@@H](Br)c1cccc(I)c1)N1CCCCC1 2089393463 KGSMGHIZNHEWIW-CYBMUJFWSA-N 458.159 3.543 50 10 JHGE COC[C@@](C)(CCCl)NC(=O)c1ccc(I)c(Br)c1 2101776948 ZAHMPYXIXMLXAV-CYBMUJFWSA-N 460.537 3.818 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H](NS(=O)(=O)CCC(CCl)CCl)C2(CCC2)C1 2106299092 UUSZODUWHCERFR-SFHVURJKSA-N 463.427 3.581 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)C1 2110715130 KQSSMVHGYGMQBN-FLDNJWGVSA-N 451.427 3.964 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CC2(C1)OCCC[C@@H]2Br 2159655639 BNWCKTVLBPBHOR-NSHDSACASA-N 467.983 3.980 50 10 JHGE O=S(=O)(C1CCC(CBr)CC1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179829792 FASTZGANQJZNIX-ODKCFSPTSA-N 455.462 3.724 50 10 JHGE CC(C)[C@@H]1CN(S(=O)(=O)c2cncc(CBr)c2)CCN1Cc1ccccc1 2283318927 CQWFOCOUGJIWNS-FQEVSTJZSA-N 452.418 3.508 50 10 JHGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2)cc(OCC)c1OCC 2314776924 BRGAAWJODYBLHY-UHFFFAOYSA-N 482.533 3.771 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(CCOCCI)C1 2326644786 CRCJJFACCCXEAG-HNNXBMFYSA-N 460.356 3.642 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NCC1CCC(Br)CC1 2338862839 ZEWVTQKGSNOMOQ-UHFFFAOYSA-N 457.992 3.629 50 10 JHGE CN([C@@H](CCCl)C(F)(F)F)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214034 KILZUBNTEJBIFR-INIZCTEOSA-N 468.925 3.664 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@H](CBr)C12CCC2 2379717863 KMQIUKZLVJPWIS-SFYZADRCSA-N 470.003 3.629 50 10 JHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)[C@H](Br)C2=O 35548873 FYELTTJDBIWOAE-ZMYBRWDISA-N 492.197 3.679 50 10 JHGE COCc1cc(C)n(CC(=O)NN=Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(=O)c1C#N 254812733 VGVSPGCIBRKCDP-UHFFFAOYSA-N 499.493 3.751 50 10 JHGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1cc(C)c(C)cc1C 256028537 SWLXELFTAUWUJJ-UHFFFAOYSA-N 471.608 3.876 50 10 JHGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1084004827 PYKRAFQZFOKHQN-UHFFFAOYSA-N 496.545 3.648 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=C(C)c1ccc(N)cc1 1084118336 PRUKGNOLFYRIQY-UHFFFAOYSA-N 470.002 3.944 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3cccc(C)c3)s2)cc1 1084119887 UHFCPIJNFGZDIP-UHFFFAOYSA-N 450.568 3.638 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748651 BWNXZVDIZLUZOZ-UHFFFAOYSA-N 478.936 3.716 50 10 JHGE COc1cc(I)c(Cl)cc1C(=O)N(C)C[C@@H]1C[C@@H]1Br 1887829279 HWLFJDOYEAFTDB-CBAPKCEASA-N 458.521 3.809 50 10 JHGE O=[N+]([O-])c1cc(I)c(CBr)c(I)c1 2060230581 OSBPXDHQUIXXSF-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE C=CC[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2075328261 FIXSGDZDZNCFJZ-SECBINFHSA-N 462.001 3.830 50 10 JHGE COCC[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2086147198 KLLXPQZOZMEHIS-VIFPVBQESA-N 490.961 3.584 50 10 JHGE Brc1cccc(Br)c1CN1CCN2C[C@@H](Br)C[C@@H]2C1 2094088920 QMBDVTOATDBVQY-WDEREUQCSA-N 453.016 3.865 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC2(CC[C@H]1CBr)CC2 2154165722 FFIVDXVIGBIAQP-NSHDSACASA-N 450.114 3.777 50 10 JHGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CC(N(C)Cc2ccccc2)C1 2179828886 VCOLXTNIHQXRLR-UHFFFAOYSA-N 473.820 3.748 50 10 JHGE C[C@@]1(C2CC2)CN(S(=O)(=O)c2cc(CBr)co2)CCN1Cc1ccccc1 2179831128 SVCBBKQNEHVLQS-FQEVSTJZSA-N 453.402 3.850 50 10 JHGE Cc1ccc(C(=O)N2C[C@H](CBr)OC(C)(C)C2)cc1I 2232826810 LOQNGADMGQCKBI-LBPRGKRZSA-N 452.130 3.614 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](I)C1 2252831350 LMLPCSAUOJPOPI-NSHDSACASA-N 472.946 3.790 50 10 JHGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2293039098 CHTGGYKRDLGUFE-KRWDZBQOSA-N 460.328 3.760 50 10 JHGE COc1ccc(CNC(=O)C(C#N)=C2N=C(NC(=O)c3ccc(C)cc3)c3ccccc32)cc1 2296532751 WKUQELLHXUHOOH-UHFFFAOYSA-N 450.498 3.745 50 10 JHGE CC(C)[C@H]1C[C@@](NCC2CC(Br)C2)(C(=O)O)CN1C(=O)OCc1ccccc1 2324779238 JLXYZKVPKMXLOZ-PKZBPHAMSA-N 453.377 3.640 50 10 JHGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NNC(=O)CCCCCNC(=O)OC(C)(C)C 2328801138 BZRIPAYXIOFTDU-UHFFFAOYSA-N 490.557 3.507 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1cc(F)c(CBr)cc1F 2342974372 WJQIESBRZFLWRU-UHFFFAOYSA-N 487.322 3.678 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)[C@@H]1CC=CCC1 2364230393 LUJQOPDCPAQNNX-RKDXNWHRSA-N 470.003 3.795 50 10 JHGE COCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 2222877 QXRZNVUQHWHVIK-SDXDJHTJSA-N 460.534 3.762 50 10 JHGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)c1 10670969 KYTVZFAQIGSBSZ-MRXNPFEDSA-N 451.548 3.732 50 10 JHGE C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14033868 QDDAVXUAZCUMLF-ZDUSSCGKSA-N 488.294 3.504 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658434 PCEBGOCEBDZAQO-UHFFFAOYSA-N 492.221 3.695 50 10 JHGE CCOCCCN(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 97914560 VVUKDCSYJDJGLD-QFIPXVFZSA-N 454.995 3.688 50 10 JHGE Cc1ccccc1OCC(=O)NN=C1C(=O)N(CCOc2ccccc2Cl)c2ccccc21 245285435 XIOIWDRAJIPZJH-UHFFFAOYSA-N 463.921 3.973 50 10 JHGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 254812656 QTYQXDGRMUXMGJ-UHFFFAOYSA-N 466.519 3.639 50 10 JHGE COCC[C@@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 379597328 SMOUXMYJFXZNOV-QMMMGPOBSA-N 470.010 3.834 50 10 JHGE O=S(=O)(c1cc(CCl)ccc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 705909092 QHTXSOBJAMWYQY-ROUUACIJSA-N 469.832 3.940 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)OCO3)c(-c2ccccc2)n1 761398743 WEQXFSDZQMYMEY-YBFXNURJSA-N 454.442 3.526 50 10 JHGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1cc(Cl)ccc1O 1084566593 BUBZFHNPRFLUOH-UHFFFAOYSA-N 464.938 3.931 50 10 JHGE C#C[C@H](NC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)C1CCOCC1 1231330647 DQJDQUZVQCFARB-QHCPKHFHSA-N 455.580 3.697 50 10 JHGE CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNc2ccc([N+](=O)[O-])cc2Br)cc1 1448162424 OIPAEAGGPNHFHJ-ZDUSSCGKSA-N 450.289 3.790 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)cc1 1679957819 ZVQDVEQTEMACAX-LDBYXDLTSA-N 461.522 3.819 50 10 JHGE CCCCC1CCC(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)CC1 1860770029 QAZFZJAJAOGXTD-GTPINHCMSA-N 458.628 3.727 50 10 JHGE COc1cccc(-c2ccc(C(=O)NNC(=O)Cc3ccc(Br)cc3)c(C)n2)c1 1865758778 QSWKWTUTTULMHZ-UHFFFAOYSA-N 454.324 3.832 50 10 JHGE C=CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2F)nc1C 1865759951 ZWZASMVIKBHHKK-UHFFFAOYSA-N 453.445 3.740 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC)c(O)c1Br 1873794740 YEKKCAHXQPNIDE-JFUCICATSA-N 458.353 3.553 50 10 JHGE O=C(NC[C@@H]1C[C@@H]1Br)c1cc(Br)ccc1I 1991444685 GIYLLWUCQKIHED-RCOVLWMOSA-N 458.919 3.567 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H]1C(C)(C)CBr 2099641320 USPHFANQDHUPLU-KRWDZBQOSA-N 485.444 3.524 50 10 JHGE Cc1cc(S(=O)(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cc(CBr)c1F 2179861000 AHVJDICNYNAOGD-SFHVURJKSA-N 455.393 3.924 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@@H](CBr)OCC12CC2 2183975457 YYJWNDLKGRNKOZ-SNVBAGLBSA-N 467.983 3.980 50 10 JHGE O=C(N[C@@H]1CC[C@@H]1CBr)c1ccc(Br)cc1I 2213305713 HQEUVLDXVFPQIL-RDDDGLTNSA-N 472.946 3.957 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2(C3CCC3)COC2)C1 2250826945 VTNHEZHTBOIEJI-KRWDZBQOSA-N 451.345 3.777 50 10 JHGE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCBr 2293367089 VZHZBDUZCNFOKD-UHFFFAOYSA-N 473.323 3.834 50 10 JHGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 2294162126 IMORHWXIHXYSCW-UHFFFAOYSA-N 475.457 3.751 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)c(Br)cc1OCc1ccccc1F 2294279990 OGBBCPAHCMATBW-UHFFFAOYSA-N 475.314 3.942 50 10 JHGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)cc1 2296719463 XFSLOXQRUMOGDX-UHFFFAOYSA-N 476.533 3.642 50 10 JHGE CC[C@](CCNC(=O)OC(C)(C)C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306145097 BBYKXNAUPVOQRO-HXUWFJFHSA-N 481.681 3.630 50 10 JHGE O=C(C=Cc1ccc(F)cc1)NNC(=O)COc1ccc(Br)cc1Br 2313615865 CRBOSJGTCCXNQM-UHFFFAOYSA-N 472.108 3.590 50 10 JHGE NNC(=O)[C@@H](Sc1cc(I)ccc1Br)c1ccccc1 2363644186 RYAZKLPTEPUTRM-ZDUSSCGKSA-N 463.138 3.877 50 10 JHGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1C 10153826 IKXBKTPZXASIFW-LJQANCHMSA-N 461.587 3.925 50 10 JHGE O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1OCc1ccc(F)cc1 12611025 CGBXGHPPDKLOBL-FQEVSTJZSA-N 493.510 3.857 50 10 JHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 14039131 BZTHHKSOPZVOQC-MRXNPFEDSA-N 451.548 3.730 50 10 JHGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)c1 35129106 GYXUCZYLMIFVSB-HKWRFOASSA-N 460.534 3.942 50 10 JHGE Cc1cc(SC#N)ccc1NC(=O)N/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 101350112 HWHQOHCJMCUOSJ-OQLLNIDSSA-N 455.883 3.510 50 10 JHGE C[C@@H](Oc1cccc(C#N)c1)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 109040463 GPKYPHSADSAMDL-GOSISDBHSA-N 451.486 3.639 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)C)cc1 207213925 FDPDHEONGGKVLO-STZFKDTASA-N 464.518 3.569 50 10 JHGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 217006470 OLVNLEPQDCGKEB-SSZFMOIBSA-N 459.333 3.886 50 10 JHGE O=C(NCCCI)c1cc(Br)c(Br)s1 229624190 UZBPYDIBSKHMBJ-UHFFFAOYSA-N 452.937 3.828 50 10 JHGE C/C(=N\NC(=O)COc1c(C)cc(Br)cc1Br)c1cc(O)ccc1O 253564180 GFPIWHWPPYUBEH-KEBDBYFISA-N 472.133 3.850 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccc(F)cc2)ccc1OC(=O)c1ccc(OC)cc1 254703783 OZELDHHVBQPXOB-UHFFFAOYSA-N 466.465 3.981 50 10 JHGE CN(Cc1ccccc1)C(=O)CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 917770571 CUEAWXUURVSZDH-KGENOOAVSA-N 486.963 3.799 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc3nc(C)sc3c2)cc1 920849293 CZFWRBFLDDBHBW-BOPFTXTBSA-N 486.557 3.898 50 10 JHGE COc1cc(/C=C\C(=O)NN)cc(Br)c1OCc1ccc(Br)cc1 1084225840 DHULFZORXMJRQP-DAXSKMNVSA-N 456.134 3.802 50 10 JHGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711689 FUUFMNYGWOMILY-OAQYLSRUSA-N 479.880 3.791 50 10 JHGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1 1866667493 RDEYFBPKTMYVJK-IBGZPJMESA-N 470.938 3.535 50 10 JHGE COC1CC(CBr)(NC(=O)c2ccc(Br)cc2Br)C1 1899799696 KPVURWQQIMTKBD-UHFFFAOYSA-N 455.972 3.884 50 10 JHGE C[C@H](Br)c1ccccc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029233753 WZWAMMFGCLFFLH-AWEZNQCLSA-N 465.369 3.961 50 10 JHGE COc1cc(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc(Cl)c1OC 2040448253 IUQRIVOUMXCYGE-UHFFFAOYSA-N 451.914 3.839 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CC[C@H](OCCBr)C1 2109126278 RWKSTYBBFWSINB-VIFPVBQESA-N 455.972 3.838 50 10 JHGE COCCN1C[C@H](Cc2ccc(I)c(Cl)c2)[C@@H](Br)C1 2142938200 XBCKQCCCNAOLMI-RYUDHWBXSA-N 458.565 3.829 50 10 JHGE O=S(=O)(C[C@H](Br)c1cccc(F)c1I)N1CCCCC1 2145643851 ZFAGSXXTFKNTIO-NSHDSACASA-N 476.149 3.682 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC(F)(F)C[C@@H]1CCl 2159042375 ZEWCPGDVGNVCED-MRVPVSSYSA-N 453.530 3.849 50 10 JHGE Oc1ncnc(N2CCC[C@@]3(CBr)CCCC[C@H]23)c1I 2165250458 URRAYRWMLKQWHR-IINYFYTJSA-N 452.134 3.711 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H]2CC[C@H](Cl)C[C@@H]21 2167010259 JPKLNMLNCZNTAJ-UWVAXJGDSA-N 453.004 3.655 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2168746741 LRBHKXMLTOZLSS-CVEARBPZSA-N 473.820 3.924 50 10 JHGE O=C(c1c(F)cccc1I)N1CCSC[C@H]1CCBr 2267675568 ZDBCCYQIJUYNGW-SECBINFHSA-N 458.134 3.773 50 10 JHGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(I)c(OC)c(OC)c2)cc1 2294172020 UPNOCMDVYMBNBV-UHFFFAOYSA-N 478.286 3.540 50 10 JHGE COCCn1nc(Br)nc1N(Cc1ccccc1)[C@@H](CBr)C1CC1 2307992443 CDUWPRMTOKLGKQ-HNNXBMFYSA-N 458.198 3.867 50 10 JHGE COc1cc(OC)cc(C(=O)NNC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 2313682905 NKRLDPFKZJQZGP-UHFFFAOYSA-N 456.502 3.663 50 10 JHGE CC(C)(CI)CN1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 2326677135 SCZMDJNSEUAWTA-AWEZNQCLSA-N 460.322 3.961 50 10 JHGE COC[C@](C)(CCBr)NC(=O)c1ccc(Cl)cc1I 2340065742 MRQMXDUPHCVJSK-ZDUSSCGKSA-N 460.537 3.865 50 10 JHGE O=S1(=O)CC[C@@H]([C@@H](CBr)Cc2cc(I)ccc2Cl)C1 2352429309 GNLKUPMRPZIHST-MWLCHTKSSA-N 477.589 3.933 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@]2(CCC[C@@H]2Br)C1 2364230658 OZDKEVVTFRRBPC-SDBXPKJASA-N 470.003 3.725 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1c(C)cc(Br)cc1C 12489990 VQOVBKRMDOYIPI-UHFFFAOYSA-N 455.736 3.633 50 10 JHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 13978660 NSORUTWVMCGTHG-UTSBKAFOSA-N 452.363 3.804 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1 38650014 ZDKINAOVDSJHLS-VWLOTQADSA-N 458.470 3.906 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 38658833 LZWQJHDXSOGCHW-VWLOTQADSA-N 488.496 3.915 50 10 JHGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 59147754 FUWKGFZQPBWMRQ-UHFFFAOYSA-N 458.474 3.772 50 10 JHGE COCCCNC(=O)/C(C#N)=C\c1c(N2CCC(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 102863600 FMYJZIZFIYYXOL-CLCOLTQESA-N 499.615 3.522 50 10 JHGE CC1(C)C[C@H](NC(=O)Nc2[nH]nc3c2CCN(C(=O)OC(C)(C)C)C3)C[C@](C)(CN=C=O)C1 170290056 NHLWKHFYKYKRSL-WNSKOXEYSA-N 460.579 3.745 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1ccc(I)c(Cl)c1 232348315 INICQJMQMUSNPO-PSASIEDQSA-N 458.521 3.569 50 10 JHGE C[C@H](Cl)c1nc(N)nc(Nc2cc(I)ccc2Br)n1 311812839 PATPHNYIAZSVNZ-YFKPBYRVSA-N 454.497 3.864 50 10 JHGE C#CCOc1cc(Br)c(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OCC 725403608 CTOJPBKUAIATLQ-IBGZPJMESA-N 459.340 3.824 50 10 JHGE COc1ccccc1OCC(=O)NN=Cc1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 1084643924 IISVWTMKJFPHOL-UHFFFAOYSA-N 464.474 3.510 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1 1176937508 ORGDBYLITHOXDS-UHFFFAOYSA-N 450.564 3.987 50 10 JHGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865710173 QBXIDVVVTPTBLP-OAQYLSRUSA-N 489.488 3.866 50 10 JHGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714145 DWKXOWFXBCRIRJ-LJQANCHMSA-N 451.870 3.979 50 10 JHGE CC(C)CSc1ccccc1C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865845918 ZNJXYBQEFBVPFX-OAHLLOKOSA-N 484.647 3.792 50 10 JHGE CC(C)SCc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)o1 1865852470 YDZOFHRKHCNMIP-KBPBESRZSA-N 488.635 3.840 50 10 JHGE CC1([C@H](Br)c2sc(Cl)cc2I)CS(=O)(=O)C1 1901027278 YWFZSRBWPLOHIJ-MRVPVSSYSA-N 455.564 3.877 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(Br)cc(Br)c2)[C@H]1Br 1911027409 SZFGWHFFKIJODC-WDEREUQCSA-N 455.972 3.882 50 10 JHGE COC(=O)c1cc(I)c(CBr)cc1I 2055323173 MBRAFOILESPFJT-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE O=S(=O)(C[C@H](Br)c1cccc(I)c1)N1CCCCC1 2089393464 KGSMGHIZNHEWIW-ZDUSSCGKSA-N 458.159 3.543 50 10 JHGE O=C(NC[C@@]1(CBr)CC12CCC2)c1cc(I)ccc1O 2154205189 QAEBJAFIXQHIDZ-HNNXBMFYSA-N 450.114 3.682 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)c2ccc(Br)cc2Cl)C1 2177852270 WVPUJPCCYYKCKN-QFHRKFJASA-N 465.531 3.519 50 10 JHGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 2201193442 BTGKCPAITFLOAA-QPUJVOFHSA-N 455.090 3.937 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201762460 HFAKAGGWCXQBHE-QMTHXVAHSA-N 470.532 3.713 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NC1CC(Br)C1 2221687608 FKZQCVPPKNRETA-PIMMBPRGSA-N 476.209 3.927 50 10 JHGE Clc1ccc(I)c(CN2C[C@H]3CCO[C@]3(CBr)C2)c1 2231265405 IYWDLDBLGJEMSQ-BXUZGUMPSA-N 456.549 3.930 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@]12CCC[C@@]1(CBr)C2 2364192196 YZMLOOQMIYUTGM-VXKWHMMOSA-N 497.455 3.718 50 10 JHGE CCOCCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 10216618 ZFJMEDKRIVZSSC-UHFFFAOYSA-N 479.371 3.828 50 10 JHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 14641670 PAKIKYYLIKGJNB-INIZCTEOSA-N 451.548 3.732 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1Br 14647848 STUOMKCZNRBTQA-UHFFFAOYSA-N 484.803 3.770 50 10 JHGE CCOc1cc(Br)c(CC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1OCC 15093155 UWCMOHAPDFKFJI-UHFFFAOYSA-N 474.355 3.742 50 10 JHGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816208 JMDNJSXWSHNTCL-ZTKZIYFRSA-N 480.609 3.863 50 10 JHGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CCCCCO)cc1I 59158471 NIFDVAUHEIKLBI-ZVHZXABRSA-N 491.329 3.745 50 10 JHGE O=C(Cn1nnc2ccccc21)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59181346 NVSJKCXWSCSUMD-BXVZCJGGSA-N 460.497 3.652 50 10 JHGE COCCN(CCBr)S(=O)(=O)c1cc(Br)c(C)cc1Br 164876465 HTUMYLDPISKWMM-UHFFFAOYSA-N 494.043 3.552 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H](CBr)O1 235355379 NBZWKLAAKDUCHI-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE CC[Si](CC)(CC)O[C@@H]1[C@H](COS(=O)(=O)c2ccc(C)cc2)O[C@@H]2OC(C)(C)O[C@H]21 504753114 NEDGRUUEICONSF-ZGXWSNOMSA-N 458.649 3.967 50 10 JHGE C[C@@H]1CCCN(C(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 782092613 IATUOWKCNPCRQF-MIQLPHMESA-N 465.941 3.826 50 10 JHGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 1199058483 CTLSHVUGLWPQCN-IBGZPJMESA-N 450.539 3.738 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nc(C)c(Cc3ccccc3)s2)cc1 1467248476 QMENGYANVJWKGO-INIZCTEOSA-N 452.536 3.865 50 10 JHGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1O 1865697108 XFVCTTYGMYKBQL-GOSISDBHSA-N 453.296 3.876 50 10 JHGE C/C(=N\NC(=O)c1ccc(-c2ccc(F)cc2F)nc1C)c1ccc2c(c1)N(C)C(=O)CO2 1865763376 JBRYFDPFDPOKTE-XODNFHPESA-N 450.445 3.844 50 10 JHGE COc1ccccc1-c1nc(CC(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866669450 GCSCEALNGOAZPY-AWEZNQCLSA-N 450.520 3.918 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1cc(Br)sc1Br 2122372259 ZFDFUJJNKXHXKT-JGVFFNPUSA-N 475.044 3.813 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2143976578 NTZMLLDZAHXVSL-BREBYQMCSA-N 450.114 3.775 50 10 JHGE O=S(=O)(C1CCC(CBr)CC1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2179829794 FASTZGANQJZNIX-WWFYLNGCSA-N 455.462 3.724 50 10 JHGE O=C(N[C@H](CBr)CC1CCOCC1)c1ccccc1I 2195487119 WVSXIWRTHPTASW-LBPRGKRZSA-N 452.130 3.601 50 10 JHGE COc1ccc(Br)c(CBr)c1OCc1c(Br)nnn1C 2236043304 VOHXDBSTAUWWTL-UHFFFAOYSA-N 469.959 3.823 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H]2OCC[C@]2(CBr)C1 2278858698 GPGNZAKDHZMFFJ-PELKAZGASA-N 474.012 3.899 50 10 JHGE CN(Cc1ccccc1I)S(=O)(=O)[C@H]1CC[C@H](CBr)C1 2280352514 SXIOYRLHRZYQGX-AAEUAGOBSA-N 472.186 3.616 50 10 JHGE COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc(OC)c1OC 2296473033 RUEACILCEOJKJW-UHFFFAOYSA-N 465.531 3.695 50 10 JHGE CC(C)(CI)CN1CCC2(CC1)C[C@@H](NC(=O)OC(C)(C)C)CO2 2306810202 QYSWPJVKRUGIQQ-CQSZACIVSA-N 452.377 3.596 50 10 JHGE CCOC(=O)COc1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313567907 PJKIPFMULXUIKQ-UHFFFAOYSA-N 498.377 3.647 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 2313611031 YTJORJYEUDLIIR-UHFFFAOYSA-N 455.308 3.851 50 10 JHGE CC(C)[C@@H](CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825149 BGZAPHMANLOXAS-GOSISDBHSA-N 473.433 3.572 50 10 JHGE CCCOc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325886496 KFKAINTYJKCHCU-IRXDYDNUSA-N 494.617 3.793 50 10 JHGE C[C@H]1CC[C@@H](CBr)CN1C(=O)c1c(Br)c(Br)nn1C 2338675062 UQZJOWFJJCLDHY-YUMQZZPRSA-N 457.992 3.581 50 10 JHGE COc1ccc(CC(=O)NC(C)(CBr)CBr)c(Br)c1 2338819557 FOPZPPHLNQHBQT-UHFFFAOYSA-N 457.988 3.665 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](C)C[C@H]1Br 2338846220 BKEVNVCJFYFKDP-GPMSIDNRSA-N 485.444 3.667 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H]1CCCBr 2338849154 DOZZJBGYJYKVNU-KRWDZBQOSA-N 485.444 3.812 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)ccc1Cl 14041853 HDMBXZKDMFMSKE-UHFFFAOYSA-N 498.004 3.984 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041887 BDXXGQFABSKVFZ-UHFFFAOYSA-N 498.004 3.984 50 10 JHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)c1C 14649156 ODZQATVMMXBGCT-UHFFFAOYSA-N 477.586 3.639 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCc1ccccc1 14650273 OAQJUNJLMLLNNI-UHFFFAOYSA-N 478.412 3.896 50 10 JHGE CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 28063630 JUQYODWCPWLHDX-KXBFYZLASA-N 450.564 3.724 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c(OC)c1 33685291 IIEGYCHPOOWHHF-YVJWXHDUSA-N 488.500 3.923 50 10 JHGE Cn1c(=O)n(C)c2cc([C@H](Br)c3ccccc3I)ccc21 51392971 TVSHSXXLXCNOQT-HNNXBMFYSA-N 457.109 3.966 50 10 JHGE Cc1c(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)oc2ccccc12 109994460 DZUCOCBJSYIPCF-KRWDZBQOSA-N 470.323 3.570 50 10 JHGE O=C(Oc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1)c1ccccc1 169919692 NKICYXCCXDYLAG-VEILYXNESA-N 451.482 3.880 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)COc2ccc(Br)cc2Br)c1 256017504 PMYRTDPWMSLMNU-UHFFFAOYSA-N 472.133 3.758 50 10 JHGE C[C@@H](CCl)CS(=O)(=O)Nc1cc(Br)ccc1I 304217456 ZOHSOEDFMPJXRO-ZETCQYMHSA-N 452.539 3.670 50 10 JHGE COCC[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721612700 IQMOEIDQVLGRLE-SECBINFHSA-N 490.961 3.584 50 10 JHGE O=C(NNc1nc(NC2CCCC2)nc(NC2CCN(Cc3ccccc3)CC2)n1)c1ccco1 1088703101 CMZYIPHTLOWBQI-UHFFFAOYSA-N 476.585 3.653 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(CBr)cc1 1260509190 PFVTVMWKHZPVPP-ZDUSSCGKSA-N 469.348 3.505 50 10 JHGE CCOc1ccccc1N/C=C1\C(=O)N(CCc2ccc(OC)c(OC)c2)C(=O)C(C#N)=C1C 1615437248 MLLFAPVVFYIESX-SILNSSARSA-N 461.518 3.850 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)cc1 1675216444 BTOHCBYYOAATHP-ZUOKHONESA-N 455.408 3.604 50 10 JHGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(N)=O)CC(C)(C)C2 1772729326 UJGLNACNIOZWRG-UHFFFAOYSA-N 480.306 3.790 50 10 JHGE CCOC(=O)c1c(I)ncc(OC(F)(F)F)c1CBr 1848387549 DGAPCXGOWHQEPE-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CCOC(=O)c1cc(CBr)c(I)nc1OC(F)(F)F 1848387699 OUAAKEXXJBTRCB-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccccc4C(F)(F)F)c(=O)c23)C1 1860771521 ZDODZLZWFBPFAO-NWDGAFQWSA-N 478.496 3.624 50 10 JHGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1865851889 JHCHCABPHQTJLA-QGZVFWFLSA-N 490.585 3.863 50 10 JHGE COc1ccc(-n2nncc2C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1 1866923036 NTGWJAYUDMAACF-QHCPKHFHSA-N 484.541 3.959 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@@H](C(=O)NNc2ccccn2)C1 1873777108 ADVNSXVXNPAKMB-UONOGXRCSA-N 481.778 3.647 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@@]2(CCC[C@@H](CI)O2)C1 1924238123 WHKCTEPDWSTPBO-WBAXXEDZSA-N 451.345 3.919 50 10 JHGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1cc(Br)sc1Br 2048658497 GVOAWLZXXBPUMW-SVRRBLITSA-N 462.001 3.803 50 10 JHGE Brc1ccc(Br)c(CN2CCN3C[C@@H](Br)C[C@@H]3C2)c1 2118520697 XGGDZUUMMDLMFE-QWHCGFSZSA-N 453.016 3.865 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)CI)c1ccc2ccccc2c1 2123077026 MVBIVTXTGLXEMX-MRXNPFEDSA-N 490.363 3.718 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Br)ccc2I)C[C@H]1Cl 2130820311 WRDKNIIJARKUJH-MKPLZMMCSA-N 458.521 3.568 50 10 JHGE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163055201 FDASVMWEWFGADW-GDBMZVCRSA-N 461.422 3.895 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](N2CCN(CCCCCI)CC2)C1 2220224696 XOISBPXCEGOGLH-DLBZAZTESA-N 465.420 3.655 50 10 JHGE Cc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2269567572 PDECQTAAVHTTSQ-SANMLTNESA-N 486.377 3.567 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@]2(CBr)C1 2277933040 NSOVYTFDCWCMBA-HZMBPMFUSA-N 451.984 3.998 50 10 JHGE O=S1(=O)C[C@H]2C([C@@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]2C1 2277950207 URARNOCTGYIROH-UTUOFQBUSA-N 473.024 3.808 50 10 JHGE CC(C)(C)OC(=O)NCc1ccc(NS(=O)(=O)N2CCC(Br)CC2)cc1Cl 2281662616 YGSYONNWZQPMGP-UHFFFAOYSA-N 482.828 3.881 50 10 JHGE C=CCC1(CBr)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2287838943 DJNBEKIRYYCVMA-UHFFFAOYSA-N 497.455 3.692 50 10 JHGE CN1CCC[C@]1(C)COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2300066527 UJRIWAIBJLNCOM-QGZVFWFLSA-N 452.377 3.692 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1OC 2313601949 WOGLXWRNIYQUNP-UHFFFAOYSA-N 451.523 3.697 50 10 JHGE CO[C@@H]1CN(Cc2ccc(Cl)c(I)c2)[C@H](CBr)[C@H]1OC 2362368358 MLIPVPQWKICVML-MGPQQGTHSA-N 474.564 3.554 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@](NC[C@H]2C[C@@H](Br)C2)(C(=O)O)C[C@@H]1C(F)(F)F 2376561061 PMVHAOUEBHNBEA-JBBSTSQOSA-N 459.303 3.535 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](NC[C@H]2C[C@@H](Br)C2)(C(=O)O)C(F)(F)CC1 2378831048 ZHQXVDFNHSLQPF-AHIWAGSCSA-N 455.340 3.629 50 10 JHGE Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)c1C 10736875 RNRSQKHAXOSTBA-UHFFFAOYSA-N 476.558 3.671 50 10 JHGE N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 15889066 ZIFBBWHLWINXPZ-JLHYYAGUSA-N 483.553 3.771 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cnn(CC)c1 59261796 CNKPPOLEPJHLJA-SWKNLOBNSA-N 473.006 3.577 50 10 JHGE O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1cc([N+](=O)[O-])ccc1O 59433205 WXIMVCZLXIFVFL-AWQFTUOYSA-N 475.211 3.995 50 10 JHGE O=C(NC[C@H](Br)C1CC1)c1ccc(I)c(Br)c1 721593855 MLJXVESPRLOLLE-JTQLQIEISA-N 472.946 3.957 50 10 JHGE COC[C@H](Br)CCNC(=O)c1ccc(I)c(Br)c1 721625057 XOXWSGVUHSXVFS-SECBINFHSA-N 490.961 3.584 50 10 JHGE COC(=O)c1cccn2cc(COC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)nc12 912966635 CPQCUIYCTXRHEF-CPNJWEJPSA-N 480.484 3.548 50 10 JHGE Cc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083886629 RNPUNUUDSBQGBU-UHFFFAOYSA-N 455.967 3.990 50 10 JHGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1cccc(N2CCCC2=O)c1 1084612202 AFMGWAYGULWCOC-UHFFFAOYSA-N 481.144 3.808 50 10 JHGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Br)cc1)O[C@H](C)C2 1318309124 ZAYQOSSYNJABOP-PUECVXPYSA-N 459.340 3.736 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(C)c(Br)c(F)c2)cc1 1625592460 LXOLBMTZBMFASM-GFCCVEGCSA-N 452.280 3.719 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746203 RUKGRECIRJVIEV-UHFFFAOYSA-N 453.930 3.728 50 10 JHGE COc1ccc(CC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)c(OC)c1 1860822806 OIBFZSUWPDXQJZ-COOPMVRXSA-N 463.921 3.967 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC(OCCCCl)C1 2141974809 ZIWIJTPWCXCNSQ-UHFFFAOYSA-N 458.521 3.524 50 10 JHGE C[C@@H](Br)CN(CC(C)(C)C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2272436613 CELPDMRMTPLMBA-MRXNPFEDSA-N 487.460 3.914 50 10 JHGE Clc1ccc(I)c(CN2C[C@@H]3OCC[C@@]3(CBr)C2)c1 2278929994 KYXFJFGDTWARAZ-UONOGXRCSA-N 456.549 3.930 50 10 JHGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313652810 ICQJTFYMSYJKTB-UHFFFAOYSA-N 456.458 3.554 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2364216026 YDUFGENLTWKCOX-PWIZWCRZSA-N 497.455 3.668 50 10 JHGE CCOCCOc1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 10216486 DRVJDMSTHLYIDT-UHFFFAOYSA-N 468.337 3.589 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 12502721 IUQVOMBONURPOS-UHFFFAOYSA-N 488.613 3.876 50 10 JHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811596 SWBOCLHOAJCYEY-LGUFXXKBSA-N 456.974 3.878 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccc(Cl)cc3)nc12 102846801 HZGOOZYBZSNJKJ-KVVHSQDJSA-N 464.909 3.651 50 10 JHGE CCOc1cc(/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214424909 UYIHFLYDONIMCY-XKZIYDEJSA-N 492.503 3.959 50 10 JHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccco3)n2-c2ccccc2)cc(OC)c1OC 254749079 LSCSQEMNZMCBQS-UHFFFAOYSA-N 493.545 3.796 50 10 JHGE O=C(NN=Cc1ccc(COc2ccccc2Cl)o1)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 254765501 CMWOVPUUHFPZNF-UPFYTXMWSA-N 480.956 3.944 50 10 JHGE O=[N+]([O-])c1ccc(-n2cnc(I)c2I)cc1CCl 306046424 OIXMISLUMHLTKN-UHFFFAOYSA-N 489.438 3.729 50 10 JHGE C[C@@H]1CO[C@@H](CCl)CN1C(=O)c1ccc(I)c(Br)c1 721619124 KZFFSGFSUDYYRV-SCZZXKLOSA-N 458.521 3.522 50 10 JHGE O=C(CCOc1ccccc1)NNC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 728952224 QYASFXILJNHXNS-UHFFFAOYSA-N 469.545 3.898 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC(=O)O 1083971191 UHQFWKAMVFNECN-JOCHJYFZSA-N 484.549 3.640 50 10 JHGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1084116726 ZTRLNSHVFVHUBZ-UHFFFAOYSA-N 475.578 3.843 50 10 JHGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C)cc1 1084410167 OPNYVTCWASDUDI-UHFFFAOYSA-N 497.548 3.641 50 10 JHGE C#CCOc1ccccc1CNC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1564066851 JEWPXTQSTUCHMV-UHFFFAOYSA-N 450.322 3.695 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(O)c2)cc1 1865682440 OJBKAYSEMYEYKJ-KRWDZBQOSA-N 458.396 3.832 50 10 JHGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851382 AGPBPGGTAFDDLZ-HZPDHXFCSA-N 482.606 3.636 50 10 JHGE C[C@H]([C@@H](Br)c1scc(Br)c1Br)S(=O)(=O)N(C)C 1941960166 OODNOERWMGTGMQ-IYSWYEEDSA-N 470.046 3.989 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2C[C@H]2Br)cc1Br 2076168159 WISVMLGMHXBYJC-IONNQARKSA-N 462.001 3.582 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CC(OCCCBr)C1 2085897017 DETWGXFIXADMHQ-UHFFFAOYSA-N 462.001 3.899 50 10 JHGE C[C@]1(CCl)COCCN1C(=O)c1ccc(Br)cc1I 2142289444 ZQJJDOZCQFMFPQ-ZDUSSCGKSA-N 458.521 3.524 50 10 JHGE Cc1cccc(C(=O)N2CCO[C@H](CBr)C2(C)C)c1I 2159640822 UKONLYZIXGHKFM-GFCCVEGCSA-N 452.130 3.614 50 10 JHGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccn([C@@H]2CCCCO2)n1 2174000572 DMYMVVCTPRLIQN-APWZRJJASA-N 456.406 3.947 50 10 JHGE CCN1CCC[C@@H]([C@@H](Br)c2cc(C)ccc2I)S1(=O)=O 2240992287 WNRVORKKIDQBCE-KBPBESRZSA-N 472.186 3.850 50 10 JHGE CC(C)(C)OC(=O)NC1C[C@H]2COC[C@@H](C1)C21CCC[C@H](CI)O1 2249327753 MXBLOYCOCPMASL-WHDPVNKASA-N 451.345 3.679 50 10 JHGE BrC[C@@H]1CO[C@@H]2CN(Cc3cc(Br)ccc3Br)C[C@@H]2O1 2279871251 QHOFZBBXSXUUFT-BNOWGMLFSA-N 469.999 3.575 50 10 JHGE C=CC[C@]1(CCl)CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2287846937 QOVLWTMSEOSKMI-JOCHJYFZSA-N 453.004 3.678 50 10 JHGE N#CC(C(=O)N1CCOCC1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296507187 XNJOOTSUTMAJAO-HXUWFJFHSA-N 453.951 3.625 50 10 JHGE O=C(NN=Cc1ccc(F)cc1)C1[C@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1 2296654002 HLXKZEGHTCSHLV-SJWXKMTISA-N 485.559 3.948 50 10 JHGE COc1ccc(C=NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)c(Br)c1O 2323759258 CZWYFSPZBLXGNN-UHFFFAOYSA-N 455.312 3.602 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325584233 APJCHFMXFDBQLT-JPYJTQIMSA-N 483.700 3.848 50 10 JHGE COc1ccc2c(c1)c(C=NNC(=O)[C@@H](C)n1cnc3sc4c(c3c1=O)CC[C@H](C)C4)cn2C 2325903473 WWICOHUYYSLPQC-LSDHHAIUSA-N 477.590 3.794 50 10 JHGE CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123994 ZBTHAQOQGKJSTF-UHFFFAOYSA-N 478.480 3.759 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H](CBr)C1CCC1 2338845663 SOPIBVBUKFJJNL-KRWDZBQOSA-N 485.444 3.574 50 10 JHGE O=S(=O)(c1sccc1Br)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361446637 PBLFPGSCMVBRRQ-HTRCEHHLSA-N 457.131 3.990 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CC[C@H]1CBr)CC2 2364216744 QSCKSQVLRAZVTL-KRWDZBQOSA-N 497.455 3.812 50 10 JHGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 10450634 UBQYLNUREDWDAZ-CMDGGOBGSA-N 460.924 3.812 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 13999393 MEOHUZAOJWIXOV-LJQANCHMSA-N 499.633 3.557 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 14002207 YMIFANKAYGFDHJ-SNVBAGLBSA-N 460.770 3.679 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OCCOC)c(Br)c1 14661422 VLWQNQNEYBIZOW-OAHLLOKOSA-N 479.371 3.828 50 10 JHGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40761877 SGRAAPUTZZSISD-UHFFFAOYSA-N 491.335 3.808 50 10 JHGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815512 QYOKKGVNKDJCKY-JJKYIXSRSA-N 484.600 3.964 50 10 JHGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OC 58891573 GLEPTDQFZKEWNE-VYZAVGSRSA-N 482.318 3.662 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)[C@@H](C)Sc2ccccn2)cc1 59148724 RZZYZWUPGZPVTK-HIQXPHMNSA-N 455.561 3.789 50 10 JHGE O=S(=O)(c1ccc(Br)cc1)N1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]21 222336423 WHFUCXONOBAOPD-AVAGLOCGSA-N 474.012 3.511 50 10 JHGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(CC(C)C)cc1 254449218 NLZDXRLYSPBYPM-UHFFFAOYSA-N 490.593 3.877 50 10 JHGE CCc1c(OC)ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1OC 254492465 WJTVCJOZRSQRCU-UHFFFAOYSA-N 481.574 3.612 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(NC(C)=O)cc2)cc1 254507112 YKLYFUKJIIQWCW-ZIBOUQFSSA-N 456.502 3.575 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccnc3)nnc2-c2ccc(C)cc2)cc1 254847015 RLUMAOPSVZKFAD-UHFFFAOYSA-N 458.547 3.889 50 10 JHGE CC1(C)CN([C@H](CNC(=O)NNC(=O)c2cccc3cccnc23)c2ccc(Cl)cc2)CCO1 728951709 FKNPUERZRANTPX-OAQYLSRUSA-N 481.984 3.684 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 746182769 SOAXXACSXNKHPU-DTQAZKPQSA-N 456.520 3.941 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N1CCCCC1 782092508 GFFWZZCTYOABFM-SQFNAUOLSA-N 465.941 3.968 50 10 JHGE COc1cc(OC)c(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1Br 1083975932 ZHEARTOECTZNAL-UHFFFAOYSA-N 468.735 3.989 50 10 JHGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1 1137970619 PBDKENPMBKZAJN-GOSISDBHSA-N 455.559 3.704 50 10 JHGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNc4ccccc4)c(C)c32)cc1 1772749294 SWDPWRCSFIKZHI-UHFFFAOYSA-N 452.536 3.672 50 10 JHGE CN(CC1(Br)CC1)S(=O)(=O)c1cc(CBr)ccc1Br 1887893462 QNHQSVGXGBPMQW-UHFFFAOYSA-N 476.028 3.892 50 10 JHGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@@H]1C[C@H]1Cl 1991444470 ZRJLSLCFVFCISJ-LVXYXVKQSA-N 491.993 3.799 50 10 JHGE O=C(CCl)c1cc(OC(F)F)cc(I)c1I 2060176173 DVBVLPJFYXEXEG-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE CN1CCC[C@@H]([C@@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2089513901 HMAGUQQTHJBMDA-RYUDHWBXSA-N 478.577 3.758 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCOC[C@H](CBr)C1 2098235388 BKHUANBLVXCJDZ-SECBINFHSA-N 455.972 3.695 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)c1cc(Br)cc(Br)c1 2112712241 BJSBPXKOAWZTMD-ZDUSSCGKSA-N 455.972 3.838 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCC[C@H]1CCCBr 2141711455 KRFMOOIMFFQVOS-KRWDZBQOSA-N 485.444 3.812 50 10 JHGE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CBr)cc1 2163057270 ZUKDLGKKOSBONH-GOEBONIOSA-N 461.422 3.895 50 10 JHGE CC(C)(C)[C@H]1C[C@H](CBr)CN(c2ncnc(O)c2I)C1 2164998365 JKUNREMXKITOMZ-ZJUUUORDSA-N 454.150 3.670 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2168746750 LRBHKXMLTOZLSS-JKSUJKDBSA-N 473.820 3.924 50 10 JHGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)N1CCC[C@@H](CBr)C1 2179813134 RRTSWBFIRXFXIX-OTWHNJEPSA-N 459.450 3.654 50 10 JHGE CCN(CCBr)CCC[C@H](C)NC(=O)c1csc(I)c1 2204136642 AOQKHFLBFFVBJQ-NSHDSACASA-N 473.218 3.968 50 10 JHGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257385204 ZOCVENORVUWWHL-UHFFFAOYSA-N 492.768 3.586 50 10 JHGE Cc1ccc(OCCn2cc(C=C(C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)cc1 2297504699 PEPYIQQBXVEOHZ-UHFFFAOYSA-N 456.546 3.660 50 10 JHGE CCCCCCOc1ccc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 2314620589 RPOINKZDJZHSBP-UHFFFAOYSA-N 454.523 3.810 50 10 JHGE CC[C@H](C[C@H](C)Br)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823243 ZBZGQDJELKDIHG-JKSUJKDBSA-N 473.433 3.715 50 10 JHGE C[C@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CCN1Cc1ccccc1 2325588857 VDCWYKOCRIUYIO-MBSDFSHPSA-N 483.700 3.990 50 10 JHGE C=CC[C@]1(CBr)CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364206696 VFZSZRCOVZYVMN-JOCHJYFZSA-N 497.455 3.978 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(C[C@]2(CBr)CC2(F)F)C2(CCOCC2)C1 2379985181 FTPZBEPKTIQWCE-WMLDXEAASA-N 453.368 3.803 50 10 JHGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OC)c(I)c2)cc1 12573706 QJBIOVYBCKGMGB-FYJGNVAPSA-N 451.308 3.910 50 10 JHGE CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1 40947812 BAQJNZDHYXOEFM-ZVHZXABRSA-N 483.619 3.695 50 10 JHGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1 100154369 XYKNVQLCWHTRBD-UHFFFAOYSA-N 458.540 3.893 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCC2(CBr)CC2)cc1Br 122698120 WYZQGNYKRGAQDT-UHFFFAOYSA-N 476.028 3.973 50 10 JHGE COc1ccc(C=NNC(=O)Cc2ccc(Br)cc2)cc1CN1CCSCC1 254845923 OVIAQHSGQMUTKK-UHFFFAOYSA-N 462.413 3.699 50 10 JHGE CO[C@H]1C[C@@H](CCl)N(C(=O)c2cc(Br)ccc2I)C1 311535042 MBBAJWHBRZJOFT-UWVGGRQHSA-N 458.521 3.522 50 10 JHGE COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl 1084204250 HJTYKSQGMNUSEA-GZTJUZNOSA-N 474.344 3.801 50 10 JHGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-] 1165381034 FDDZRGTWLNQJPY-UHFFFAOYSA-N 455.414 3.732 50 10 JHGE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 1260507547 PBOZAMIXJBRMKF-MRXNPFEDSA-N 461.422 3.849 50 10 JHGE C#CC[C@]1(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)CCCN1C(=O)OC(C)(C)C 1306190994 GMOMECPVKQFSAU-XMMPIXPASA-N 459.612 3.961 50 10 JHGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1873792544 JGCUTTNYILWNHX-MUFRIFMGSA-N 478.508 3.985 50 10 JHGE CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2C[C@@H](Br)C2)CCN(Cc2ccccc2)CC1 1986065934 SMSTYNSZAIQFFQ-KDURUIRLSA-N 480.447 3.978 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=O)C=Cc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 2042443832 DLYBTVNTLNUAJV-UHFFFAOYSA-N 499.633 3.761 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2cc(Br)ccc2Br)C1 2109026010 YRGGQNSLKXNQTK-VHSXEESVSA-N 455.972 3.836 50 10 JHGE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163057091 YGEHUKURYXTARK-GDBMZVCRSA-N 461.422 3.895 50 10 JHGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(C)cc1 2293198170 CAMDOVQGCZUETM-SFHVURJKSA-N 456.365 3.930 50 10 JHGE O=C(NCCC#CCBr)c1ccc(Br)cc1I 2303676217 INHPTUNLFGJWAM-UHFFFAOYSA-N 470.930 3.572 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N(CCBr)c1ccccc1 2364007249 PEKIEQCQOJICTG-UHFFFAOYSA-N 465.971 3.987 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Cl)C(F)(F)CC1 2364214518 HDXLRZSXLSPVQO-KRWDZBQOSA-N 462.946 3.511 50 10 JHGE O=S(=O)(c1cscc1Br)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370246109 AUPOQDUWRZDYAI-IMTBSYHQSA-N 457.131 3.990 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@](NCC2CC(Br)C2)(C(=O)O)C[C@@H]1C(F)(F)F 2377458070 PMVHAOUEBHNBEA-CUJYKCCASA-N 459.303 3.535 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1 14030212 OHEVFAGXORMLGB-UHFFFAOYSA-N 470.595 3.944 50 10 JHGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 102863354 BUEPLBGROHDBIH-VWUAEACJSA-N 487.560 3.561 50 10 JHGE C=C(C)Cn1c(SCC(=O)NN=Cc2cc(Br)ccc2O)nc2ccccc2c1=O 245265757 HRPOGKNKRFUTNO-UHFFFAOYSA-N 487.379 3.683 50 10 JHGE O=C(NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc(Br)s1 727473134 GCVPJJWANLQMJH-MRXNPFEDSA-N 497.802 3.966 50 10 JHGE Cc1csc(=O)n1CCOC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 749478353 DPONFTIFOCPPGU-GZTJUZNOSA-N 467.938 3.799 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccc(Cl)cc2)c(-c2ccccc2)n1 761409128 BMZMLTRMIOZBQU-DEDYPNTBSA-N 473.920 3.884 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(Cc3ccsc3)CC2)c(-c2ccccc2)n1 914464326 GSZAABZSCMISDH-JCMHNJIXSA-N 456.575 3.777 50 10 JHGE COc1ccc(CCNC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)cc1OC 1084290504 AMIDZNYINDCTJH-UHFFFAOYSA-N 476.577 3.537 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3c(C)cccc3F)cc2)cc1 1616665884 OKEVPBDKCFERLM-UHFFFAOYSA-N 455.511 3.572 50 10 JHGE C[C@H](Br)[C@@H]1C[C@@H]1NC(=O)c1cc(Br)ccc1I 1908463401 XZLUPKIEYFJDNE-RASWFIQWSA-N 472.946 3.955 50 10 JHGE CC(C)(C)OC(=O)CN(C[C@H]1CCCN(CCI)C1)C(=O)OC(C)(C)C 2106784449 ISWCPJMJXOMNRI-HNNXBMFYSA-N 482.403 3.712 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@@H]1CCCC[C@H]1Br 2123032003 PUNVHPSBGGPRSB-QFBILLFUSA-N 485.444 3.716 50 10 JHGE COc1ccc2nc(C=NNC(=O)COc3ccc(C(=O)NC4CCCCC4)cc3)ccc2c1 2321698247 XYQCXRFZVCSCTN-UHFFFAOYSA-N 460.534 3.835 50 10 JHGE N#CC(=CNCCCCCC(=O)O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599334 ZNYXPDJHIUAHEJ-UHFFFAOYSA-N 460.578 3.562 50 10 JHGE CCCOc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325886497 KFKAINTYJKCHCU-SJORKVTESA-N 494.617 3.793 50 10 JHGE CC(C)(C)OC(=O)NCC[C@H]1CCN(CCOCCI)[C@H](C(F)(F)F)C1 2351591953 XBKAZGMXGJNIKW-KBPBESRZSA-N 494.336 3.996 50 10 JHGE CCOC(=O)[C@@H]1C[C@@H](Br)[C@H](OCc2cccc(I)c2)C1 2367354069 YNRJHMMAANWNBT-MRVWCRGKSA-N 453.114 3.913 50 10 JHGE O=C(NN=C/C=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254510956 PAQMUEGKLJUSJK-KDOJZUNMSA-N 484.468 3.910 50 10 JHGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2F)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 254428594 MYCCFLNHTZQBFQ-UHFFFAOYSA-N 489.488 3.652 50 10 JHGE Cn1c(=NNC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2ccccc21 254765546 SLHYKEXPJQYSMX-UHFFFAOYSA-N 478.599 3.627 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CCC3CCCCC3)cc2)cc1 727412595 AFCBVGXCJXJVOE-UHFFFAOYSA-N 471.579 3.812 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(OCCn3cncn3)c2)c(-c2ccccc2)n1 918616170 FCSAYEQGMSGZPC-KGENOOAVSA-N 478.516 3.680 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cccc(C(C)C)c1 207216869 PVFQHWLXWFKSDW-BKUYFWCQSA-N 464.518 3.569 50 10 JHGE Cc1nc(-c2cnccn2)sc1C(=O)N/N=C\c1cc(Cl)cc(Br)c1O 1865761726 RYOJAFSOJZZEPX-MPUCSWFWSA-N 452.721 3.794 50 10 JHGE CCOC1(CCl)CN(C(=O)c2ccc(Br)cc2I)C1 2142287633 FGVFHUCMLCRGBK-UHFFFAOYSA-N 458.521 3.524 50 10 JHGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1cccc(Br)c1Br 1878695269 GCPHOSNOAZKVNT-LDYMZIIASA-N 455.972 3.741 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCCCN2CCCCCC2)C1 2007039365 IFBPLYLXHVDNOP-JKSUJKDBSA-N 452.377 3.692 50 10 JHGE O=C(NCC1(CCl)CCOCC1)c1ccc(Br)cc1I 2207275953 RAOMROYSXOACLB-UHFFFAOYSA-N 472.548 3.819 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2CCO[C@]2(CBr)C1 2239894417 VRLZYUNRCHGWTO-QMTHXVAHSA-N 470.532 3.571 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCI)C[C@@H]1C(F)(F)F 2243586315 OEHHDYQYKFQRQF-RYUDHWBXSA-N 450.283 3.837 50 10 JHGE COc1cc(OC)c([N+](=O)[O-])cc1C=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1 2296653204 RUPJBMSLHVZYBG-UHFFFAOYSA-N 480.502 3.595 50 10 JHGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1[N+](=O)[O-] 2296701058 GLKIZJAJAMWCMX-UHFFFAOYSA-N 475.505 3.906 50 10 JHGE COc1ccc([C@H]2[C@H]3CN(CCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 658560 KPJAPUKRHFPZCS-OZXSUGGESA-N 465.557 3.672 50 10 JHGE CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)CCc3nc(-c4ccncc4)no3)cc2C1 10997196 YZJFOTWVEVUZDY-INIZCTEOSA-N 453.568 3.738 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 12502706 ZIFDSUPAZIWMTK-UHFFFAOYSA-N 488.613 3.876 50 10 JHGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 13977985 YSTZGBJRYNEVMJ-UHFFFAOYSA-N 492.551 3.714 50 10 JHGE Cc1ccc(C)c(O[C@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1 14008764 OSHOZRBKSIOQKM-CYBMUJFWSA-N 455.736 3.713 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14665810 VFQNOLHMOUKHKD-QGZVFWFLSA-N 455.555 3.716 50 10 JHGE C/C(=N\NC(=O)c1ccccc1O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 20075122 SHGKYZRZNJBFRZ-ZMOGYAJESA-N 463.406 3.615 50 10 JHGE CCCOc1ccccc1/C=C(\C#N)C(=O)OCCCNC(=O)c1cc2ccccc2oc1=O 40949072 XTYBLJISNMCXJQ-HMMYKYKNSA-N 460.486 3.852 50 10 JHGE O=C(N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cc(Cl)ccc1O 59158887 UZCFHILWNLOVOE-GFMRDNFCSA-N 450.838 3.635 50 10 JHGE COC(=O)c1c(NC(=O)c2oc3c(c2C)/C(=N\NC(N)=O)CC(C)(C)C3)sc2c1CCCC2 101110229 KQUFSKMSNQKHKZ-ZMFRSBBQSA-N 472.567 3.912 50 10 JHGE CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)NN=Cc1ccco1 254605568 GJDPPUXMDDWGFX-JOCHJYFZSA-N 490.520 3.700 50 10 JHGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 727402265 GKYAHXIAFOZDJM-PGMHBOJBSA-N 482.544 3.693 50 10 JHGE Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 789808581 GAXXQBHZMHSDJP-UHFFFAOYSA-N 480.521 3.501 50 10 JHGE Cc1ccc2nc(C)c(C(=O)NN=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n2c1 1084649047 NLYWYHFFBKBFGD-UHFFFAOYSA-N 459.481 3.872 50 10 JHGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccncc2)CCC3)cc1 1772746581 WVGBQOHZJPOHHQ-UHFFFAOYSA-N 460.490 3.882 50 10 JHGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712386 XDPDOHTVMWFYNO-JOCHJYFZSA-N 491.479 3.921 50 10 JHGE C[C@@](CI)(OCCO[C@@H]1CCOC1)c1ccccc1Br 2143660493 MVDHULAYVUTYEY-DOMZBBRYSA-N 455.130 3.921 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)N2CCC(Br)CC2)C[C@@H]1C(F)(F)F 2163051910 XVJXDLHXQXCKNU-AAEUAGOBSA-N 458.319 3.601 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179866410 HPDHAISRDLXOFL-PKOBYXMFSA-N 453.402 3.850 50 10 JHGE C[C@@H](Cl)C[C@H]1COCCN1C(=O)c1ccc(Br)cc1I 2207261339 KWLKXDCEPZNXJY-KOLCDFICSA-N 472.548 3.912 50 10 JHGE C[C@@](CCl)(CI)OCCOCCOCCOCc1ccccc1 2211318298 VDHNVJQBTLPWNL-QGZVFWFLSA-N 456.748 3.686 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NCCCCI)C1(C)C 2243586073 KWLJVXMVYASPQO-NPMABZOXSA-N 458.406 3.993 50 10 JHGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=CNC(=O)Nc1ccccc1Br 2297465608 NWPMQOOPZPJPBR-UHFFFAOYSA-N 479.334 3.906 50 10 JHGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297553811 GCEJMCJJZKZYPC-UHFFFAOYSA-N 472.866 3.701 50 10 JHGE COc1ncc(Cl)cc1CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2301822672 KNLQYHMLPJBAQD-QWHCGFSZSA-N 468.719 3.683 50 10 JHGE CCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2)c(Br)c1 2314789730 YCZNHZKZQJFZRG-UHFFFAOYSA-N 487.350 3.665 50 10 JHGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3cccc(F)c3)cc2)n1 2329672192 LXJSVFWWNRCXMG-UHFFFAOYSA-N 451.483 3.579 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCl)c1cccs1 2338852888 TXFCDBUDRMMEKR-KRWDZBQOSA-N 455.001 3.804 50 10 JHGE CCSc1sc(CC)c(C(=O)O)c1/C=N/NC(=O)c1cc(OC)c(OC)c(OC)c1 2950283 AQRQVQXSTYCDHW-UFFVCSGVSA-N 452.554 3.910 50 10 JHGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3c(F)c(F)c(F)c(F)c3F)c2)cc1 3362778 PICLEYJOLJIOBY-UHFFFAOYSA-N 499.417 3.955 50 10 JHGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OC)c(I)c2)c(O)c1 12573773 CRJJMVUEVXBZKP-CIAFOILYSA-N 467.307 3.616 50 10 JHGE CC(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl 13980018 WQIMHHQXGLTGBK-UHFFFAOYSA-N 455.736 3.831 50 10 JHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)c(C)c1 14036115 RXQISMNUTJXMEO-UHFFFAOYSA-N 463.987 3.932 50 10 JHGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1ccco1 40611929 SZIBXLUSLIIJJL-UHFFFAOYSA-N 499.531 3.646 50 10 JHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=S)Nc1ccccc1)CCC2 40825293 IJSKWSCNIXLHAS-OVVQPSECSA-N 491.573 3.698 50 10 JHGE O=C(NN=Cc1ccc(I)cc1)c1ccn(Cc2ccc(Cl)cc2)n1 254304493 ZHZADSVDMQSSGI-UHFFFAOYSA-N 464.694 3.953 50 10 JHGE CCOc1cc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1O 254905309 JXZHUDRSRNFWMB-UHFFFAOYSA-N 485.537 3.584 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)c2ccc(I)c(Cl)c2)C1 401490341 GJBPNCYWAVNWGK-ZDUSSCGKSA-N 458.521 3.571 50 10 JHGE COC1(CBr)CCN(C(=O)c2cccc(C)c2I)CC1 401911875 LTRMHCURXOHNJO-UHFFFAOYSA-N 452.130 3.616 50 10 JHGE O=C(NNC(=O)c1ccc(Br)cc1Cl)NC1CCN(c2ccccc2)CC1 728955943 HHGKNMDDTKHHOO-UHFFFAOYSA-N 451.752 3.716 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 730517072 QYZISHWSNBNIJP-GOSISDBHSA-N 491.375 3.957 50 10 JHGE CCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(C)ccc21 1772720348 LIAQYSIPBQJPLB-UHFFFAOYSA-N 454.958 3.826 50 10 JHGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1scc(Br)c1Br 2039818942 NBKDUFCRFRORCV-NKWVEPMBSA-N 462.001 3.803 50 10 JHGE O=C(Cl)c1c(I)cc(I)cc1OC(F)F 2060170562 KTXJZHCHSIIJOC-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@H](CBr)O1 2094088861 PUFMZTAVTOAKJC-BDAKNGLRSA-N 455.972 3.836 50 10 JHGE C[C@H](Br)C12CCC(CC1)N2S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2097067031 IKKXHCUBSHTIFW-FQWCMUAHSA-N 483.428 3.563 50 10 JHGE Clc1ccc(I)c(CC[C@H](Br)CN2CCOCC2)c1 2099488681 URLDNFHCIQGPEZ-LBPRGKRZSA-N 458.565 3.973 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@@H]1CCCC[C@@H]1Br 2123032002 PUNVHPSBGGPRSB-LPHOPBHVSA-N 485.444 3.716 50 10 JHGE O=C(c1c(Br)cccc1Br)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2150495500 NAOWIWDNVAWHJA-XXILOJSOSA-N 467.983 3.979 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179951206 UKMARRRIEMDLRY-ZWKOTPCHSA-N 465.404 3.723 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Cl)c1ccc(I)c(Br)c1 2206470768 JSTLOYRGECZNLU-NWDGAFQWSA-N 470.532 3.712 50 10 JHGE C[C@H](Cl)c1nc2cncc(Br)c2n1-c1cnn(C)c1I 2280050749 LZBYKGDSPGRSGC-LURJTMIESA-N 466.508 3.821 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2OCC[C@]2(CBr)C1 2296359187 DMCKQWAVMJBRQK-JSGCOSHPSA-N 470.532 3.571 50 10 JHGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cc(=O)n4nc(C)sc4n3)cc2)cc1 2297350721 FEWHFELWTYKHHA-UHFFFAOYSA-N 473.514 3.593 50 10 JHGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3CCC[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 2297470526 YIPPELVACFSUGT-SFHVURJKSA-N 462.575 3.886 50 10 JHGE N#CSc1ccc(NC=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)c([N+](=O)[O-])c1 2297534362 OIZDYRLGCINWJF-UHFFFAOYSA-N 459.443 3.900 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2O[C@H]3CC[C@H]2C3)C1 2307434982 QZLMBEFOLNLMNW-YRBFXIGRSA-N 451.345 3.775 50 10 JHGE CCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(I)cc1 2324431293 UZKRPHVDDGTLOL-UHFFFAOYSA-N 461.259 3.926 50 10 JHGE O=S(=O)(NCCSCCCBr)c1ccc(Br)cc1Cl 2335615500 DCMCQAFJIUCRSB-UHFFFAOYSA-N 451.633 3.899 50 10 JHGE CC(C)[C@@H]1C[C@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2344710806 NTMHKNMVXZUNMK-LPHOPBHVSA-N 485.444 3.667 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2364206200 QOWYAWYOKCXVJV-LSTHTHJFSA-N 497.455 3.811 50 10 JHGE COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 15945120 KHWGXOYKHRFFKB-IREQLNLFSA-N 473.323 3.794 50 10 JHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 40812181 JMOYQSTZIHDNOJ-LGUFXXKBSA-N 491.456 3.972 50 10 JHGE COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 58991923 GCJPTFAHABGKQO-ONUIUJJFSA-N 458.547 3.970 50 10 JHGE CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl 59246360 FNDOXRHGAGBBQG-MXAYSNPKSA-N 466.365 3.753 50 10 JHGE COc1cc([N+](=O)[O-])cc(C2=NN(C(C)=O)[C@@H](c3cc(C)nc4ccccc34)O2)c1OC(C)=O 102619661 PIUAOHWXZGQYPB-HSZRJFAPSA-N 464.434 3.624 50 10 JHGE Cc1cc(Br)c(NCC(=O)NN=Cc2ccc3c(c2)OCO3)c(Br)c1 252627412 RTOUFULGXCMTFW-UHFFFAOYSA-N 469.133 3.811 50 10 JHGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)c1 252634874 WSLPUAQCPMCUKI-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE C[C@H](c1nc(CCl)cs1)n1cnc(I)c1I 309159016 GHIOFJVRICPFOT-RXMQYKEDSA-N 479.512 3.897 50 10 JHGE C#CCOc1ccc(Br)cc1C=NNC(=O)c1ccccc1I 1083918751 QWTQMUWZYZUZGC-UHFFFAOYSA-N 483.103 3.830 50 10 JHGE COc1cccc(-c2ccc(C(=O)N/N=C(/C)c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)c(C)n2)c1 1865763365 IUELQUUPDWQBHL-NXZPZOCRSA-N 458.518 3.963 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCN2CCCC2)CC1 2007038517 BHRUIVGUSWBOTP-UHFFFAOYSA-N 452.377 3.694 50 10 JHGE CCCN1CCC[C@H]([C@@H](Br)c2sccc2I)S1(=O)=O 2089520700 XFPKLAWQYYRCLD-GHMZBOCLSA-N 478.215 3.993 50 10 JHGE O=C(NC[C@@H]1C[C@H](Cl)CCO1)c1ccc(Br)cc1I 2142283529 QXMQUYUKGGTPJJ-ZJUUUORDSA-N 458.521 3.570 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179827736 IPWZQFVQTFFFSP-MSOLQXFVSA-N 465.404 3.723 50 10 JHGE O=C(NC[C@H](Br)CC(F)(F)F)c1c(F)cccc1I 2267670222 QTQQVJKTLJVHHC-ZCFIWIBFSA-N 453.999 3.876 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2ccc(Cl)c(I)c2)C1 2268342711 TXGSTIOKKAQIDB-VHSXEESVSA-N 458.521 3.569 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@]2(CBr)C1 2277916426 NSOVYTFDCWCMBA-HZMBPMFUSA-N 451.984 3.998 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296378092 OGYHMEQHTZZOBE-GXTWGEPZSA-N 470.532 3.571 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2OCC[C@]2(CBr)C1 2296378397 RAQQERJUCQUSGH-JSGCOSHPSA-N 467.983 3.838 50 10 JHGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 2313862188 OCHBXYRZXKIDPX-UHFFFAOYSA-N 476.514 3.523 50 10 JHGE CCC[C@@H](Br)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826530 ZCUJESUDGBEYDN-MRXNPFEDSA-N 473.433 3.716 50 10 JHGE COC(=O)[C@H](CCBr)OCc1ccc(I)c(Br)c1 2325386929 RVXCCTWGCSKVDI-NSHDSACASA-N 491.945 3.897 50 10 JHGE CCCOc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325886494 KFKAINTYJKCHCU-DLBZAZTESA-N 494.617 3.793 50 10 JHGE Clc1ccc(CN2C[C@@H]3COC[C@]3(CBr)C2)cc1I 2337220212 ATAOKVMHBZEQBQ-RISCZKNCSA-N 456.549 3.788 50 10 JHGE C[C@H](Br)[C@@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338852059 KPIAPLFRKWQDMP-DLBZAZTESA-N 485.444 3.668 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCCC[C@@H]1Br 2338852223 MENRXCUMNBXOPF-APWZRJJASA-N 485.444 3.716 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCCC[C@@H]1CCl 2364216422 OABKQKUPOJDNPJ-QZTJIDSGSA-N 455.020 3.808 50 10 JHGE COC[C@@]1(CBr)C=CCN1C(=O)c1ccc(I)c(Cl)c1 2379851619 KSIVBDBPMMESHH-AWEZNQCLSA-N 470.532 3.737 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38683428 ARXOQJXHMBPIKG-QFIPXVFZSA-N 471.425 3.819 50 10 JHGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40620012 CFJYUVIEXGJRKP-UHFFFAOYSA-N 467.442 3.972 50 10 JHGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 206416570 KMKGCYFIUPIKPL-CHHVJCJISA-N 455.379 3.509 50 10 JHGE O=C(NN=C/C=C\c1ccccc1[N+](=O)[O-])/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254371659 UEHWUFVKUCOXQV-MSPLOJHTSA-N 484.468 3.910 50 10 JHGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(N3CCOCC3)s2)cc1 254404004 VDFKDGUPKOYQDY-RTBURBONSA-N 484.622 3.517 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OC)c(OC)c1 254569987 ZSYSADVJJDFVCA-KRWDZBQOSA-N 480.594 3.724 50 10 JHGE CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NNC(=O)c1ccc(Br)cc1 1115949338 KPVWTUYMQDNFHJ-UHFFFAOYSA-N 477.359 3.618 50 10 JHGE COCCSc1ccc([C@H](C)NC(=O)NNC(=O)c2ccc(Br)cc2)cc1 1318355089 RGNRXASKSOCHSK-ZDUSSCGKSA-N 452.374 3.893 50 10 JHGE CC(=O)N(c1ccc(NC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1)[C@H]1C[C@H]1C 1677827548 MZDNZRPXWBFWNA-XIKOKIGWSA-N 452.483 3.593 50 10 JHGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1C[C@@H]1Br 1893149058 ZAYUWVPDRCRWAR-XOYOTBSWSA-N 455.393 3.727 50 10 JHGE CC(C)n1ncc(Br)c1C[C@H](Br)CN1C(=O)c2ccccc2C1=O 1905342057 HCQYSRYPOLJGBS-NSHDSACASA-N 455.150 3.829 50 10 JHGE Cc1cc(I)c(C(=O)CBr)c(I)c1 2060155468 SGNLPMHHHRZLIG-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE C[P@@]1(=O)C[C@H](NC(=O)c2cc(Cl)ccc2I)[C@@H](Br)C1 2121337303 MDEJAUWKSBLVGY-KKRWKGTOSA-N 476.476 3.813 50 10 JHGE O=S1(=O)CC[C@H](CC(CBr)(CBr)c2cccc(Br)c2)N1 2146190237 GDKQBFOHZQEOOU-GFCCVEGCSA-N 490.055 3.559 50 10 JHGE O=S(=O)(NC[C@H](Br)CBr)c1ccc(Cl)cc1C(F)(F)F 2172983730 PYLKWQBRQFOGCJ-ZCFIWIBFSA-N 459.509 3.796 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184576015 XOLJOXOYEJSHRJ-WLLOZRIZSA-N 450.114 3.775 50 10 JHGE O=C(NC[C@@H]1CC[C@@H](CCl)CO1)c1ccc(Br)cc1I 2279410325 RHJVUBMUWQPMPW-ONGXEEELSA-N 472.548 3.818 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 2313864694 ZVUMJYJFHLBEGA-UHFFFAOYSA-N 458.971 3.818 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@@H]1CCBr 2338835372 GBMOBRKZEXTFQB-QGZVFWFLSA-N 485.444 3.812 50 10 JHGE C[C@H]1C[C@H](Br)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338840468 NDDYBNTYFXJCAL-DLBZAZTESA-N 485.444 3.668 50 10 JHGE COc1cc(C=NNC(=O)CN2CCCCC2)ccc1OCc1ccc(Br)cc1 13108093 BXODRGHHVMAPBA-UHFFFAOYSA-N 460.372 3.973 50 10 JHGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1 38659735 JSRIQYMDYPNJCY-RUZDIDTESA-N 458.470 3.906 50 10 JHGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc21 40530312 ZPVCRGNVPGXBSW-BJKOFHAPSA-N 456.454 3.659 50 10 JHGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1 40995039 ZPRHYHJIVRIPQV-CPNJWEJPSA-N 452.507 3.684 50 10 JHGE Cc1ccccc1SCC(=O)N/N=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 59159640 DTMKJIPCCSDDMV-SSDVNMTOSA-N 468.495 3.856 50 10 JHGE COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 59335402 IFIMKWHPIWHEHH-NVNXTCNLSA-N 459.296 3.864 50 10 JHGE CCn1c(NNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)nc2ccccc2c1=O 110279666 LTTUFEFWCARWIJ-XGRCMKMKSA-N 493.995 3.986 50 10 JHGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1CCN(c2ccccc2)CC1 217254277 LWNZNGAMMHACIJ-ICFOKQHNSA-N 472.330 3.768 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ncc(Br)s2)C1 713638912 MTECXJAGRJVBIT-QMMMGPOBSA-N 496.084 3.659 50 10 JHGE CS(=O)(=O)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)cc1 725417329 OUPOKWJGCPUAFP-IEBWSBKVSA-N 452.370 3.837 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)CSCC(=O)Nc2ccccc2)cc1 1084531802 QVEZQTUUURVNMK-UHFFFAOYSA-N 497.598 3.585 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)cc1OC 1084628603 FUXFOSVXKLOMGT-UHFFFAOYSA-N 495.601 3.975 50 10 JHGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)Cc1ccc2ccccc2c1 1306366906 UODJWDIVOAGRCP-UHFFFAOYSA-N 455.308 3.574 50 10 JHGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712086 PEIRQXPKDNDBFC-NRFANRHFSA-N 459.462 3.722 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCCC2)C[C@@H]1CCl 1912781215 ZZLXHYAJSLWHDB-QGZVFWFLSA-N 453.004 3.656 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@@]23CCOC3)C1 2021276193 HZYONKUXZUSIRK-ZTFGCOKTSA-N 451.345 3.634 50 10 JHGE N#CC(=Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1nc(=N)[nH]c(=Nc2ccccc2)[nH]1 2041454997 NBVSKICVFQRQBR-UHFFFAOYSA-N 471.528 3.821 50 10 JHGE O=C(NCCOCCCI)c1cccc(Br)c1Br 2042201029 NKXLIEMSLUXZCK-UHFFFAOYSA-N 490.961 3.783 50 10 JHGE O=C(c1cc(I)ccc1F)N1CCS[C@H](CCBr)C1 2113350377 DCBMRVHRUNFACF-SNVBAGLBSA-N 458.134 3.773 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@H]2[C@H](C)Br)cc1Br 2125871097 RSXKZDNDCCLFST-DKCNOQQISA-N 476.028 3.970 50 10 JHGE C=C[C@]1(CCl)COCCN1C(=O)c1ccc(I)c(Br)c1 2199849257 RZOLGNLQLRNTQF-AWEZNQCLSA-N 470.532 3.690 50 10 JHGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cncc(CBr)c1 2283298618 JKVSUKOFUZODFS-RBUKOAKNSA-N 453.402 3.981 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1Br 2295312669 ZWRRUIZFLCHHNQ-YNEHKIRRSA-N 469.999 3.811 50 10 JHGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccccc1I 2297506459 WGQZIOWVTSPXBF-UHFFFAOYSA-N 469.282 3.996 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CN(CCOCCI)C2CC2)CC1 2306803435 YDRRTMDOQHQMCI-UHFFFAOYSA-N 452.377 3.550 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@]2(C)CC[C@@]1(CBr)C2 2364032588 VQHKZSYBYRJKST-STQMWFEESA-N 470.003 3.725 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CCC[C@H](Cl)[C@H]1CC2 2364214581 OCFNXEMKQVBYDV-FFZOFVMBSA-N 453.004 3.797 50 10 JHGE CS(=O)(=O)[C@H]1C[C@H](CO[C@H](CI)c2cccc(Br)c2)C1 2381005353 HZPQHMPSMXFEGB-LERXQTSPSA-N 473.170 3.765 50 10 JHGE COc1ccc(OCC(=O)N/N=C/c2c(C)[nH]c3ccc([N+](=O)[O-])cc23)c(Br)c1 3081114 QTJGXTPFJKCNTR-ZVBGSRNCSA-N 461.272 3.685 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3661603 HTQMHONCMOVXLQ-CVKSISIWSA-N 491.456 3.748 50 10 JHGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1Br 12503513 HMYCFGHWWQDUGB-ZRDIBKRKSA-N 484.375 3.960 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2ccc(OC)c(OC)c2)cc1 33564181 BVGLOOCMVZADEH-VXXVJXPCSA-N 471.579 3.743 50 10 JHGE CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 33959193 JWAOEVOVPTUMHG-JVWAILMASA-N 478.501 3.851 50 10 JHGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 34262916 STBOPYCXZSRNKY-DNXIFWLFSA-N 485.327 3.996 50 10 JHGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 40761616 IFLUAXSFMQBFGA-UHFFFAOYSA-N 468.517 3.864 50 10 JHGE CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)cc1 100520427 QXIKRGSZXSWFFR-HMZBKAONSA-N 482.584 3.824 50 10 JHGE Cc1cc(-n2cnc(I)c2I)c(CCl)cn1 380876159 QRBFTDXXEWJYGL-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CCOC[C@H]1CCBr 694944977 PUWQIVNBLVBSOL-SSDOTTSWSA-N 462.001 3.899 50 10 JHGE COc1ccc(CNC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 725386718 JBLMCYGMVZRUQW-UHFFFAOYSA-N 483.366 3.632 50 10 JHGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=S)Nc1ccc(OC)c(F)c1)O[C@@H](C)C2 730596202 IFGDWUGFHNDQCX-NUTKFTJISA-N 459.543 3.678 50 10 JHGE COCc1cc(C)nc2sc(C(=O)NN=Cc3cc([N+](=O)[O-])ccc3O)c(-n3cccc3)c12 1081099983 AXAAIGDYTVPLGY-UHFFFAOYSA-N 465.491 3.920 50 10 JHGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1084263895 NHICGDKXNAAMND-QGZVFWFLSA-N 464.334 3.845 50 10 JHGE C/C(=C\C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1cccc(C(F)(F)F)c1 1135538494 TVPVHUDZHORYIL-SDNWHVSQSA-N 458.440 3.861 50 10 JHGE CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1136132088 ZERADMFLUIVTCH-QFIPXVFZSA-N 450.926 3.717 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 1176937690 SESLNJJNGSOAFN-QGZVFWFLSA-N 450.564 3.915 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccs2)c1 1303280912 UFTMXSZXHJDBGT-FGZHOGPDSA-N 460.628 3.963 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c1 1651317352 IOWKBUSIESYZCE-UHFFFAOYSA-N 455.543 3.834 50 10 JHGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712387 XDPDOHTVMWFYNO-QFIPXVFZSA-N 491.479 3.921 50 10 JHGE COc1ccccc1-c1ccc(C(=O)NNC(=O)c2ccccc2S(=O)(=O)CC(C)C)c(C)n1 1865760055 DSPYKPSTRVULKM-UHFFFAOYSA-N 481.574 3.570 50 10 JHGE C[C@@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867084709 DYYOEGDHUQPVAF-QGZVFWFLSA-N 483.594 3.925 50 10 JHGE BrC[C@@H]1[C@@H]2C[C@@H]2CN1c1ncc(I)cc1Br 1897345110 VBGJHXHHCTZNEV-GTNGPMTGSA-N 457.935 3.668 50 10 JHGE CC(C)(CI)CN=[S@@](C)(=O)CC1CC(NC(=O)OC(C)(C)C)C1 1904651600 RMWDMGNGOWPSME-WVPYVGAHSA-N 458.406 3.849 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)C1COC1 1984648979 ITLDNSXBPSJEJO-UHFFFAOYSA-N 465.163 3.527 50 10 JHGE O=S(=O)(c1ccsc1CBr)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2123284769 SCWOBAAHKWPYOF-SJORKVTESA-N 455.443 3.786 50 10 JHGE O=S(=O)(c1ccc(F)c(CBr)c1)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187749383 XNYJOLJNCSKOBJ-WMZOPIPTSA-N 453.377 3.616 50 10 JHGE O=C(c1c(F)cccc1I)N1CCSC[C@@H]1CCBr 2267675570 ZDBCCYQIJUYNGW-VIFPVBQESA-N 458.134 3.773 50 10 JHGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c(C)n1CC(C)C 2297487224 NTWWRAJLFBKJIC-UHFFFAOYSA-N 462.550 3.742 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 2313617042 WXXSJVGHJCVEBF-UHFFFAOYSA-N 480.590 3.563 50 10 JHGE CN(C)CCN(CCBr)Cc1ccc(I)c(Br)c1 2325218354 NXJMPFADDRDZJP-UHFFFAOYSA-N 490.021 3.812 50 10 JHGE C[C@H]1CC[C@@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338849815 MFNNYIMGXAJOTB-IRXDYDNUSA-N 485.444 3.668 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2ccc(Cl)cc2I)C1 2340051267 AHRNVMYZRMYOKZ-OKAXRFMISA-N 476.476 3.813 50 10 JHGE CC[C@H](Oc1ccccc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14024423 ZXGOVMHGXXVWLF-SFHVURJKSA-N 457.324 3.986 50 10 JHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)c1 14041974 RYXPVMWAAVUBPF-UHFFFAOYSA-N 450.358 3.577 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1Br 14770315 XNFBAMJOXFIEQH-UHFFFAOYSA-N 482.762 3.990 50 10 JHGE COc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1 33716708 JLPFGLDAIJFOBY-RGEXLXHISA-N 452.507 3.900 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)Cc1ccccc1 703966632 IHTYLYBAMKQMGT-UHFFFAOYSA-N 493.423 3.536 50 10 JHGE O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 731185987 FTKBWDJAQYOZFW-IZZNHLLZSA-N 499.592 3.883 50 10 JHGE O=C(NN=Cc1cc(Br)c(N2CCOCC2)o1)Nc1ccc(Br)cc1 1084292293 VRPKIBVAKDZPBI-UHFFFAOYSA-N 472.137 3.797 50 10 JHGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)cc1OC 1084432005 KSUYDOZBXWYDGR-UHFFFAOYSA-N 496.995 3.964 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1 1303280822 QOGHDTFLOJZKKD-UHFFFAOYSA-N 456.593 3.654 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(Br)cc1 1682356655 KXXIECPJCNRXKX-SJKOYZFVSA-N 450.720 3.575 50 10 JHGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1865851421 BHRRZMXDLKNHLA-NRFANRHFSA-N 486.597 3.511 50 10 JHGE Brc1cc(CNCCI)ccc1I 1893242231 XNZABHMJWZRGDH-UHFFFAOYSA-N 465.898 3.578 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@@H]1OCc1ccccc1 1904301659 VPNOPVVGIFWVIX-LAUBAEHRSA-N 456.630 3.685 50 10 JHGE C[C@H]1CN(c2ncc(I)cc2Br)C[C@@H]1CBr 1988535433 XNAXKDGAUVZXIQ-YUMQZZPRSA-N 459.951 3.916 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2COC3(CCC3)C2)C1 2020647861 ZMLVVKUQYHVGHQ-KSSFIOAISA-N 451.345 3.919 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2040436096 DUSSWFUOLKRIAR-UHFFFAOYSA-N 498.627 3.653 50 10 JHGE O=C(c1sccc1I)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2107045653 PZOWMGLWMFFISM-RQJHMYQMSA-N 468.076 3.998 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(S(=O)(=O)c3ccc(CBr)cc3)C[C@H]21 2163056228 PGNZPQVHFPNWMN-DOTOQJQBSA-N 459.406 3.602 50 10 JHGE CN(C(=O)c1cc(I)ccc1O)[C@@H](CCBr)C(F)(F)F 2178516631 YDQVXZHRWBSQBT-JTQLQIEISA-N 466.035 3.785 50 10 JHGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cn1 2179813288 VVXKNGLGQGYRLP-PKOBYXMFSA-N 453.402 3.981 50 10 JHGE CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C(C)(C)C1 2193692005 VTDNNLPRYSXZFO-UHFFFAOYSA-N 461.422 3.992 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@@H]2COC[C@]2(CBr)C1 2226167819 LZXJVCIWADCLCK-KRTXAFLBSA-N 474.012 3.757 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCI)CC[C@@H]1C(F)(F)F 2243590452 DZEFBMUBICYCGS-NWDGAFQWSA-N 450.283 3.979 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@H]2[C@@H]1CBr 2277927263 LADSHICDNFXNPC-BIMULSAOSA-N 451.984 3.996 50 10 JHGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1cc(Cl)ccc1I 2279403450 AKUCROVCWDTQKH-GXSJLCMTSA-N 472.548 3.865 50 10 JHGE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2282668907 MKQGOAXJIZGMOT-UHFFFAOYSA-N 496.504 3.930 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCN(C)CC2)cc1Cl 2296727091 PJXBSVFDWVMCOW-UHFFFAOYSA-N 461.953 3.882 50 10 JHGE N#CC(=Cc1cn(CC(=O)N2CCCCCC2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2313623713 AFOVAAUOOXLDII-UHFFFAOYSA-N 484.556 3.996 50 10 JHGE C[C@H]1CC[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2322964486 BBHKLDUQLSSOQF-BTYIYWSLSA-N 493.692 3.725 50 10 JHGE CC1(C)[C@@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2338833665 OXOJTSZRXLXIOL-MSOLQXFVSA-N 485.444 3.715 50 10 JHGE C[C@H](Br)CN(C1CCCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2342942566 ISCOEFUNKRHPFD-HNNXBMFYSA-N 485.444 3.667 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(CCOCCI)C[C@H]1c1ccccc1 2351585932 NDAJASIAPCOJCN-ROUUACIJSA-N 474.383 3.678 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1C[C@@H](Cl)C12CCC2 2364205910 OGJGCWMYBMCHEC-QFBILLFUSA-N 453.004 3.560 50 10 JHGE O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cccc(I)c1 12574880 WATMSQDSSWSRJL-UHFFFAOYSA-N 456.283 3.884 50 10 JHGE CCCOc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 14641258 DTDMZUHSNZAYKH-UHFFFAOYSA-N 486.160 3.840 50 10 JHGE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)c1 21969152 VUEQHWSURVPJTP-KRWDZBQOSA-N 470.595 3.891 50 10 JHGE Cc1cc2ncn(CC(=O)N/N=C3\C(=O)N(Cc4ccc([N+](=O)[O-])cc4)c4ccccc43)c2cc1C 59147426 FMVOQMQCIQABNL-GNVQSUKOSA-N 482.500 3.629 50 10 JHGE O=C(CCCCCO)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59167355 ZVAVEBAXOUGMRW-QQTULTPQSA-N 462.319 3.508 50 10 JHGE FC(F)(F)Oc1cc(CCl)nc(I)c1I 396179368 KYGXSXBYEGNJBY-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE C[C@H]1CCC[C@@](CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703967701 RIBBZFRKHWBPQL-YCRPNKLZSA-N 485.444 3.572 50 10 JHGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(OC)cc4)nc3C)cc2C1=O 1865757069 LQOOGMBIJHRENN-HNNXBMFYSA-N 486.528 3.535 50 10 JHGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1nc(C)n(C)c1Br 1915078057 LXECUSIBDFMUOF-AWEZNQCLSA-N 479.238 3.855 50 10 JHGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1ccc(Br)cc1Br 2076260560 YZGNGUMREWMIMA-VXNVDRBHSA-N 462.001 3.616 50 10 JHGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1cccc(Br)c1Br 2101335087 QZZVYJMDNGXWTE-BDAKNGLRSA-N 455.972 3.741 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2163173779 DZKCWHDFNJYTKA-HNNXBMFYSA-N 461.422 3.895 50 10 JHGE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(Br)CC2)C[C@@H]1CC(F)(F)F 2176101300 FMWJYYRSFVITCY-ZDUSSCGKSA-N 458.319 3.839 50 10 JHGE O=C(c1cc(I)sn1)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2232024503 LGXRZWWVNGEHGC-WCABBAIRSA-N 455.159 3.916 50 10 JHGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 2296836389 GLFRQPKIBJEYPJ-GOSISDBHSA-N 456.365 3.930 50 10 JHGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)C(C#N)=C3Nc4ccccc4N3C)cc2)C1 2297476751 LYMLIPMOFSVQMS-IAGOWNOFSA-N 450.564 3.833 50 10 JHGE C[C@@H]1Oc2ccccc2C=C1C=NNC(=O)[C@@H](CC1=CN[C@@H]2C=CC=C[C@@H]12)NC(=O)OC(C)(C)C 2297639672 NHFYHSLTEXUUAY-AIZKBTNYSA-N 476.577 3.834 50 10 JHGE CCCOc1c(Br)cc(C=NNC(=O)c2cccn(CC)c2=O)cc1OCC 2323626949 KWCIWXZXDZRCEZ-UHFFFAOYSA-N 450.333 3.582 50 10 JHGE CC[C@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1Cc1ccccc1 2325591883 SRKBFCDHBOIRGE-WMZHIEFXSA-N 483.700 3.990 50 10 JHGE CN([C@H]1CCCC[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338848945 BPYDFJZILODDHH-OALUTQOASA-N 485.444 3.811 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCCC[C@H]1CBr 2338849456 INFVPJOUHJTWCD-KRWDZBQOSA-N 485.444 3.812 50 10 JHGE ClCCN1CCCN(Cc2ccc(I)c(Br)c2)CC1 2349830469 RASBNTHDPFCQLG-UHFFFAOYSA-N 457.581 3.800 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC2(CC[C@@H](CCl)O2)C1 2361878951 IQWVTGLLWHRABE-JTQLQIEISA-N 470.532 3.666 50 10 JHGE CN(C[C@@H](Cl)C1CCCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364208286 HMQSFDATNBIZHA-HXUWFJFHSA-N 455.020 3.902 50 10 JHGE COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)[C@H](NC(=O)Cc3cccs3)C(C)C)o2)c1 33624891 NXPJSLIOHFBCTA-QERUCQRHSA-N 467.547 3.628 50 10 JHGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccccc4F)c3[N+](=O)[O-])sc2c1 40657594 AQYBHFLANSIUBX-UHFFFAOYSA-N 455.431 3.643 50 10 JHGE O=S(=O)(N[C@@H]1CCOC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 706705842 VLYGXHYDDFRGRZ-GMSGAONNSA-N 467.994 3.587 50 10 JHGE O=C(NCCCCBr)c1ccc(I)c(Br)c1 721575684 BCQHQNVIUNOGKB-UHFFFAOYSA-N 460.935 3.959 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c(C)n1-c1ccc(F)cc1 747162712 IDNANAZGGXWNFE-HKRNCWMRSA-N 489.473 3.830 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccc(-c3ccccc3)o2)cc1 920853517 BHBAXXHGPWBTKB-QNGOZBTKSA-N 495.539 3.917 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OC 1084503262 BMUDZTDYMPGNBC-ATVHPVEESA-N 456.340 3.722 50 10 JHGE Cc1cccc(NCCCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)c1 1084623907 YBRSLYXISDQJOW-UHFFFAOYSA-N 460.582 3.668 50 10 JHGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c21 1772748205 AQMQNJZOZUYIQG-UHFFFAOYSA-N 454.571 3.999 50 10 JHGE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3sc(/C(C)=C/C#N)c(C)c3C(=O)OC)CC2=O)cc1 1873428027 IKLBNKIRFRVQOR-IDKBZEPQSA-N 495.557 3.938 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC([C@@H](F)CBr)C1 2048038647 JHJJBCKKRSRUIT-NSHDSACASA-N 490.936 3.859 50 10 JHGE C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1sc(-c2cnccn2)nc1C 2059028520 ZFLPMZMGUVVOPQ-AFUMVMLFSA-N 498.615 3.925 50 10 JHGE O=C(N[C@H](CCl)C(F)(F)F)c1ccc(Br)cc1I 2086146178 WHKNTSWVKHEMTB-MRVPVSSYSA-N 456.427 3.953 50 10 JHGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2123234186 MMYQIVGAWOICSU-ROUUACIJSA-N 455.443 3.786 50 10 JHGE ClC[C@@H]1CN(c2ncc(I)cc2Br)CC2(CCC2)O1 2133376191 WLZLWUGZLZCIJN-SNVBAGLBSA-N 457.537 3.815 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150957930 IJBHDRAKCQLVNT-SDDRHHMPSA-N 450.114 3.632 50 10 JHGE O=S(=O)(c1ccc(F)c(CBr)c1F)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179860166 NSTMYFCHPQPSFX-CABCVRRESA-N 457.340 3.507 50 10 JHGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H]2C)cc(CBr)c1F 2179862244 SXLNHHOSCGOOGC-MRXNPFEDSA-N 455.393 3.924 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179953705 DEFRLMCGOOSWDD-ROUUACIJSA-N 465.404 3.581 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[C@@H]1Br 2221680082 NRQKOAUCXMAJOA-SNPRPXQTSA-N 476.209 3.785 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2COC[C@@]2(CBr)C1 2234566731 LSEOVNXBKRTXEG-YMTOWFKASA-N 467.983 3.695 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296378134 OMYCSLBIAKYIAL-GXTWGEPZSA-N 467.983 3.838 50 10 JHGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1 2296756280 WIQXRGCQBQBUGX-UHFFFAOYSA-N 459.980 3.701 50 10 JHGE CC1(C)CC[C@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338849419 IHWOHXDYMBONME-INIZCTEOSA-N 485.444 3.811 50 10 JHGE Cc1cccc2c(=O)n(CCC(=O)NNC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)cnc12 22007126 KQRNOTPAQABYBO-KRWDZBQOSA-N 466.607 3.769 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825726 LYBRZIZMHDJYLC-TWKHWXDSSA-N 470.533 3.623 50 10 JHGE O=C(NN=C1C=CC(=NOC(=O)c2ccc(I)cc2)C=C1)c1ccccc1 108195522 CDRLTFXGVHZSHP-UHFFFAOYSA-N 471.254 3.716 50 10 JHGE CCCOc1ccc(/C(CCC/C(=N\NC(N)=O)c2ccc(OCCC)cc2)=N\NC(N)=O)cc1 214210252 ACHUXCOFDAWPFP-XWFWGDPBSA-N 482.585 3.880 50 10 JHGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1O 252619077 LLXLVPWKGLOCSW-UHFFFAOYSA-N 488.363 3.500 50 10 JHGE O=S(=O)(c1cc(CCl)ccc1Br)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 705909085 QHTXSOBJAMWYQY-QZTJIDSGSA-N 469.832 3.940 50 10 JHGE CCc1cccc2c(/C=C(/C#N)C(=O)NCc3ccc4c(c3)OCO4)cn(CC(=O)N3CCCC3)c12 1084379339 KMNQJLRRPOKFSB-BKUYFWCQSA-N 484.556 3.778 50 10 JHGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccccc2O)cc1 1084491153 XZKFMBXTWPGSGH-UHFFFAOYSA-N 457.939 3.776 50 10 JHGE CCOC(=O)Cc1nc(CBr)cc(OC(F)(F)F)c1I 1848387765 UANYAZOMIOXOER-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE COc1cccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1OC 1860772841 IYQYWGOSWJTZTK-KBKYJPHKSA-N 462.531 3.601 50 10 JHGE COc1cccc(-c2ccc(C(=O)NNC(=O)c3ccccc3I)c(C)n2)c1 1865758860 VNLHISJZAMSNPS-UHFFFAOYSA-N 487.297 3.745 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@@H](NC(=O)OC(C)(C)C)COC1(C)C 1993630567 MTBLFZIEIRGUII-LSDHHAIUSA-N 465.682 3.553 50 10 JHGE COc1cnccc1-n1nc(CBr)c(I)c1C(F)(F)F 2078926306 GCXWCHRNHDLRNJ-UHFFFAOYSA-N 462.007 3.794 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2132365121 NRRQLWSZEBZEBE-ZBFHGGJFSA-N 459.793 3.676 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2162589000 LXIYKDGRQICEEB-DOTOQJQBSA-N 461.422 3.943 50 10 JHGE CCCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H]2C)cc1CBr 2179859111 YRPBSUSDTRQLGG-QGZVFWFLSA-N 454.434 3.688 50 10 JHGE F[C@@H]1C[C@@H](Br)CN(c2ncc(I)cc2Br)C1 2210715375 SRDDEBKNBKAQNG-RNFRBKRXSA-N 463.914 3.760 50 10 JHGE O=C(NCC#CCCBr)c1ccc(Br)cc1I 2213568040 YSCKJNGFGYJNPI-UHFFFAOYSA-N 470.930 3.572 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCI)C2(CCOCC2)C1 2214712078 TVJFZLHRTSXLMQ-OAHLLOKOSA-N 452.377 3.740 50 10 JHGE Fc1cc(F)c(CBr)c(-n2cnc3c(I)ncnc32)c1 2235796527 VVEUSXQGRYZOBY-UHFFFAOYSA-N 451.012 3.593 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@]1(CBr)CCCO1 2295311019 FKKRYKKGFXUJDI-AWEZNQCLSA-N 469.999 3.814 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1sc(Cl)cc1I 2300957359 MZCYXQRSDBOBPK-HFEOUEFNSA-N 467.575 3.733 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2322022741 SOFOUAQYNUOHSI-BTYIYWSLSA-N 493.692 3.630 50 10 JHGE CC(C)[C@H]1C[C@H](Br)CN1C(=O)c1c(Br)c(Br)nn1C 2344603474 LYHANTOJLTUYAF-JGVFFNPUSA-N 457.992 3.579 50 10 JHGE CC1(C)C[C@H](Cl)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364217181 UJRGFKFSAIDUOC-QGZVFWFLSA-N 455.020 3.902 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@]2(CCC[C@@H]2Br)C1 2364230656 OZDKEVVTFRRBPC-ISVAXAHUSA-N 470.003 3.725 50 10 JHGE Cn1cc(C(=O)NNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c2ccccc21 16912983 IUJPBWQQFMEDMW-UHFFFAOYSA-N 454.530 3.645 50 10 JHGE COc1ccc(/C=N/NC(=O)COc2ccc(/C=C3/SC(=S)N=C3O)cc2)cc1OC 38817545 TVTXOCCXVRYRLD-OCJVEPCKSA-N 457.533 3.562 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)COc3c(C)cc(C)cc3C)c3ccccc32)cc1 59161088 AAYRWWMHAQPVFP-GKPLWNPISA-N 484.556 3.805 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCOC[C@H]1CCBr 702193609 IBARLQLGCTUVIY-GFCCVEGCSA-N 455.972 3.838 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC([C@@H](C)Br)C2)cc1Br 719759379 RWGJRMOCFRQKHI-MRVPVSSYSA-N 476.028 3.924 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@H](c2cccs2)N2CCOCC2)c(-c2ccccc2)n1 914465158 CZGUAFJGJBCWTM-LHBRDVBXSA-N 486.601 3.622 50 10 JHGE N#Cc1ccccc1OCC(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1083919432 QKGVAAHUAKPNJE-UHFFFAOYSA-N 461.390 3.696 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cnn(C(C)C)c1 1084390672 MASQYNAFPGWLMH-UHFFFAOYSA-N 473.006 3.749 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)c1 1637294818 AOKAFHJSXZDXFO-UHFFFAOYSA-N 450.545 3.622 50 10 JHGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C\c1cc(Cl)cc(Br)c1O 1860772940 LMAITZIDUMICHL-FINSYCMTSA-N 495.786 3.609 50 10 JHGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751045 RBKZVKGUAFQTLU-VLGSPTGOSA-N 490.453 3.578 50 10 JHGE BrCCOCc1cn(-c2ccc(I)cc2Br)nn1 2029348165 VLPSOKODJXACCM-UHFFFAOYSA-N 486.933 3.546 50 10 JHGE O=S(=O)(C[C@@H](Br)c1ccc(I)c(Cl)c1)N1CCCC1 2089389058 KORHCSJCOCHJLS-SNVBAGLBSA-N 478.577 3.806 50 10 JHGE FC(F)(F)c1cnc(N2C[C@@H](Br)C(F)(F)C2)c(I)c1 2095741977 OVPURBMXDXRCQZ-SSDOTTSWSA-N 456.978 3.924 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)Cc1ccsc1 2114662769 KCMSBJFZXLHXFN-UHFFFAOYSA-N 499.452 3.597 50 10 JHGE Cl[C@H]1CN(c2ncc(I)cc2Br)C[C@]2(CCCO2)C1 2133381591 JVPQRCUNFSGDET-RNCFNFMXSA-N 457.537 3.815 50 10 JHGE BrC[C@@H]1C[C@@H]2OCCN(c3ncc(Br)cc3Br)[C@H]2C1 2135038519 GVDLADZDBJIWOV-UWJYBYFXSA-N 454.988 3.985 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178081404 DTGQQOQTCKTTAK-QWRKXWFKSA-N 467.983 3.694 50 10 JHGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)ccn2)C1 2179824284 SRMFYFLTZGPJLR-UHFFFAOYSA-N 452.418 3.509 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2247811621 BLORQRDMEUYALG-UHFFFAOYSA-N 460.471 3.881 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2ccc(Cl)c(I)c2)C1 2268352225 YWYYSWKYBAHRQS-SWZMTVOYSA-N 458.521 3.617 50 10 JHGE Cc1cc(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2269564167 SWHGLXTZBKPSOK-SANMLTNESA-N 486.377 3.567 50 10 JHGE O=C(NC[C@@H]1CC[C@H](CCl)CO1)c1ccc(Br)cc1I 2279410318 RHJVUBMUWQPMPW-KOLCDFICSA-N 472.548 3.818 50 10 JHGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)cc1 2296303802 JBSZWJIQPUYPQU-UHFFFAOYSA-N 459.980 3.701 50 10 JHGE C[C@@H]1CCCN(C(=O)c2c(Br)c(Br)nn2C)[C@H]1CCBr 2364012882 DWUJJBCSIPCNDD-BDAKNGLRSA-N 472.019 3.971 50 10 JHGE C[C@@H]1CCCN(C(=O)c2c(Br)c(Br)nn2C)[C@@H]1CCBr 2364012894 DWUJJBCSIPCNDD-RKDXNWHRSA-N 472.019 3.971 50 10 JHGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(O)cc1O 20522279 SLTPLBNIFDNTDP-WGOQTCKBSA-N 473.558 3.706 50 10 JHGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCN(c2ccccc2F)CC1 40794924 DPOABTLNGUDYNO-UHFFFAOYSA-N 497.578 3.800 50 10 JHGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 40795599 SICATXYMZMZLKI-UHFFFAOYSA-N 491.335 3.808 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1cc(Br)sc1Br 235594227 GTLVUCMBNSZYCY-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(-c2cccc(Cl)c2)o1 254505032 OFGILAYHJGVFRE-UHFFFAOYSA-N 461.869 3.732 50 10 JHGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 575448765 DMKSVUSAATWOCU-DXRPRGMJSA-N 466.958 3.917 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCC#N)cc2Br)cc1 725381283 RXNDYODKRBFYRI-IBGZPJMESA-N 490.354 3.723 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCn1cnc2ccc(Br)cc2c1=O 818079102 OJDOGYLMIWIFGB-UHFFFAOYSA-N 458.268 3.791 50 10 JHGE CC(=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cc2cc(Br)ccc2o1 916335050 UHKNYIMJTKGDKP-UHFFFAOYSA-N 470.732 3.650 50 10 JHGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860771185 MLNVXXXJBZHRCW-AGVIVAOSSA-N 494.617 3.793 50 10 JHGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2)cs1 1872753104 HSBCMUSPCWWSDN-VKAVYKQESA-N 450.407 3.946 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1877421261 MIVXKPHCUTZARI-RCCFBDPRSA-N 455.393 3.728 50 10 JHGE O=S1(=O)CC[C@H]([C@H](Br)c2sc(Cl)cc2I)C1 1900921014 ZUKXACPQLXGTHD-XNCJUZBTSA-N 455.564 3.877 50 10 JHGE C[C@H](Br)[C@H]1C[C@@H]1NC(=O)c1cc(I)ccc1Br 2011204660 NJRULKRAYDFATN-QXHCQDJKSA-N 472.946 3.955 50 10 JHGE CCC(CBr)(CBr)NC(=O)Cc1ccccc1I 2027333000 BVWOJERNQQMTKE-UHFFFAOYSA-N 488.989 3.889 50 10 JHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1cc(Br)c(Br)s1 2036678809 HPNOSQWHFAGIFP-RQJHMYQMSA-N 462.001 3.945 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146694692 RLRROHDMJIZWRJ-BIMULSAOSA-N 467.983 3.979 50 10 JHGE O=S(=O)(c1ccc(OCCBr)cc1)N1CCC[C@H](OCc2ccccc2)C1 2186381972 RUJLCLIQFLUUFJ-IBGZPJMESA-N 454.386 3.830 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC[C@H](OCCCCl)C1 2207031348 GLYZKXFVRJAEQH-NSHDSACASA-N 472.548 3.914 50 10 JHGE C[C@@H](Br)Cc1cn(-c2ccc(Br)cc2I)nn1 2217121770 ZWUAPRBRPRZCRE-SSDOTTSWSA-N 470.934 3.960 50 10 JHGE Cc1cc(C=C(C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 2297551813 GGEIHSZNKZNINM-UHFFFAOYSA-N 475.505 3.655 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 2313616953 FPMBWFKLBWTMGK-UHFFFAOYSA-N 488.569 3.605 50 10 JHGE N#CC(=CNCCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1Sc1ccccc1 2325339455 WGTNBGAXUSHONY-UHFFFAOYSA-N 478.599 3.663 50 10 JHGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OC(=O)c2ccco2)c1 2328825097 ZYNUXNFDTPYDQT-KRWDZBQOSA-N 461.540 3.595 50 10 JHGE COCCOc1ccc(C=C(C#N)C(=O)Nc2cc3c(cc2Br)OCCO3)cc1 2331122772 IPEYZGRVKUGURT-UHFFFAOYSA-N 459.296 3.791 50 10 JHGE C[C@]1(CCl)CC(F)(F)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364202527 TVESCTRFULZPNM-LJQANCHMSA-N 462.946 3.511 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CCC[C@H](C1)C2Br 2364231002 UIWALGWYYBALAH-JVHMLUBASA-N 470.003 3.581 50 10 JHGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 9695912 LLOUIDFVOYFPKV-UHFFFAOYSA-N 492.551 3.714 50 10 JHGE O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12500761 MOAQHHZWQABQJX-LFIBNONCSA-N 450.564 3.554 50 10 JHGE COc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665489 GYLGEUMZQYZAJD-UHFFFAOYSA-N 499.361 3.919 50 10 JHGE N#CCC[C@H]1CCCC/C1=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 20076091 PLAFHPCVSOWMAE-JJEKXKKKSA-N 483.550 3.756 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21 59153622 HPWXKANHOFRHGV-HPNDGRJYSA-N 475.376 3.725 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ccc(Br)cn2)C1 169002211 LXRGZSDHQDXRHM-JTQLQIEISA-N 490.055 3.598 50 10 JHGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 217005854 INIIXBAOKAOMDR-KTKRTIGZSA-N 478.374 3.830 50 10 JHGE C[C@H](Br)Cc1cn(-c2ccc(Br)c(I)c2)nn1 709374169 JNYCPYKWDNVZPE-ZETCQYMHSA-N 470.934 3.960 50 10 JHGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccccc2)c1 725396033 PHPGOOGMZMDZGI-UHFFFAOYSA-N 499.614 3.771 50 10 JHGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1)C(C)C 1310300613 CIOCRDUHERJWGF-UHFFFAOYSA-N 454.571 3.973 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 1644011367 GAWQRVHRMSZNMZ-OXQOHEQNSA-N 452.580 3.888 50 10 JHGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865709199 QXURFBLAONQEIM-SFHVURJKSA-N 451.280 3.860 50 10 JHGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865711833 IVELSQAKPKGDCC-MRXNPFEDSA-N 452.433 3.802 50 10 JHGE O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)NCC1CC(Br)C1 2020183037 IDICGWOERGCVCG-NRXISQOPSA-N 451.283 3.914 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@@H]2[C@@H]1CBr 2078305444 SJLCOTIPJYVPPH-AUTRQRHGSA-N 484.957 3.909 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)Cc1cccs1 2114665892 SXRUOBPAWHSXJX-UHFFFAOYSA-N 499.452 3.597 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@@H](CCCl)C1 2116234489 RGJQGXXDXOHNSE-JTQLQIEISA-N 458.521 3.524 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1Cc2ccc(CBr)cc2C1 2167516375 IECCAZBBPKAETA-UHFFFAOYSA-N 491.407 3.549 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179953703 DEFRLMCGOOSWDD-MSOLQXFVSA-N 465.404 3.581 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCO[C@@H]2C[C@@H](Cl)C[C@@H]21 2185325995 OZCJAJAFBFWMLG-AQUOVQTQSA-N 470.532 3.665 50 10 JHGE CC1(C)OCCN(C(=O)c2cc(I)ccc2Br)[C@H]1CCl 2282810523 RKOLACQAIHPYSG-LBPRGKRZSA-N 472.548 3.912 50 10 JHGE CCC[C@@](CNC(=O)OC(C)(C)C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306409009 QDAUGOBFESBZII-FQEVSTJZSA-N 481.681 3.630 50 10 JHGE COc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314620553 QKSNSUJICMWJHG-UHFFFAOYSA-N 492.503 3.959 50 10 JHGE BrC[C@@]12CO[C@@H](CN1Cc1ccc(I)c(Br)c1)C2 2325226696 RQKBXYBXZVEVEK-MFKMUULPSA-N 486.973 3.792 50 10 JHGE Cc1oc(Br)cc1C(=O)NCC(F)(F)C(F)(F)CI 2336541568 OHNCNRQSRZXQEG-UHFFFAOYSA-N 457.987 3.786 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@@H]1CCC[C@@H]1Br 2338848888 BEYCUWAJXZWNAI-LPHOPBHVSA-N 485.444 3.716 50 10 JHGE O=C(N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cccc2ccccc12 59160801 SYLPWKNGJXLOAU-JVCXMKTPSA-N 488.503 3.617 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CC2(CC[C@H](CBr)O2)C1 2361878895 IBRCIGRJUOUOHA-SNVBAGLBSA-N 467.983 3.980 50 10 JHGE C=CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccccc3C)c3ccccc31)C(C#N)=C(N)O2 39919092 GDBVAWRSLXAOSI-NDEPHWFRSA-N 464.525 3.570 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Br)CC12CCC2 2364206513 TYNBCWCJRFVWPD-KRWDZBQOSA-N 497.455 3.955 50 10 JHGE O=C(COc1ccccc1)NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] 40659498 ZEZCNMGGYJJJET-UHFFFAOYSA-N 464.360 3.549 50 10 JHGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C)ccc1OC(=O)/C=C\c1ccccc1 254489123 QCFHKLTYWKOHQG-FOHJOSPNSA-N 457.486 3.711 50 10 JHGE COc1ccc(C(=O)NN=Cc2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1 254478005 FFZDLXVQWPKMRW-UHFFFAOYSA-N 489.347 3.989 50 10 JHGE CC1(C)CN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163053540 OHNFZTRXRPEECR-UHFFFAOYSA-N 461.422 3.849 50 10 JHGE O=C(N[C@H]1CCOC[C@H]1CBr)c1cc(Br)cc(Br)c1 1878685078 VBXOESAMSKTSPI-SKDRFNHKSA-N 455.972 3.741 50 10 JHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC#N)cc2)c2cccc(Cl)c2)cc1 1084584063 XKRJXUCVIWWPBQ-UHFFFAOYSA-N 496.976 3.896 50 10 JHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(SC)cc2)c2ccccc2)cc1 1084147065 ZLIQZKZTQPPAJB-UHFFFAOYSA-N 469.588 3.763 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccc(F)cc1 1084472875 ZGEQSJZREZOBEY-UHFFFAOYSA-N 468.872 3.585 50 10 JHGE CCCOc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1OCC 1084051190 QVQIUBDEWZEAQA-UHFFFAOYSA-N 482.002 3.752 50 10 JHGE C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 1084407576 BLJWFYPAJANHDY-XMHGGMMESA-N 480.362 3.725 50 10 JHGE COc1ccc(C(=O)NN=Cc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC 1084434110 NFUHLIUPPWNRQK-UHFFFAOYSA-N 454.504 3.544 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@H](Br)C2(CCCCC2)C1 2120030008 AVNORHLWYWDKCK-JTQLQIEISA-N 455.159 3.918 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cccc(Br)c2Br)C[C@@H]1Br 2130816066 DBGIFYLILZHYPI-PPKCKEKNSA-N 455.972 3.882 50 10 JHGE CC(=O)N[C@@](C)(C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(C)C 1654120371 KJYXVBDQNRLIBK-XMMPIXPASA-N 452.942 3.867 50 10 JHGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3o2)cc(Br)c1O 1772760475 PYVBVUJPJDSBCY-UHFFFAOYSA-N 450.314 3.937 50 10 JHGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714743 PFEUSVSFMCQMRS-LJQANCHMSA-N 451.870 3.979 50 10 JHGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(F)c(F)c4)nc3C)cc2C1=O 1865757367 ZRLRLNILVCSXTA-CYBMUJFWSA-N 492.482 3.805 50 10 JHGE CCCC[C@H](NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)Nc1ccc(SC#N)cc1 1867284856 QRTZKFUYVSSQLK-IRSIHTCSSA-N 471.671 3.679 50 10 JHGE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc(/C(C)=C/C#N)c1C 1873428450 PBWQINFHVLIBRH-BMQCOBNYSA-N 453.520 3.770 50 10 JHGE CN1CC[C@H]([C@@H](Br)c2scc(Br)c2Br)S1(=O)=O 1941941026 DRYRKWSEZZNOQJ-HTRCEHHLSA-N 468.030 3.743 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@@H]2COC3(CCCCC3)C2)C1 2017996779 YWPGIMPJHUBSAY-SOUVJXGZSA-N 451.345 3.918 50 10 JHGE O=S(=O)(C[C@@H](Br)c1cc(I)ccc1F)N1CCCCC1 2169666962 CNZZUGMJEGZRLL-GFCCVEGCSA-N 476.149 3.682 50 10 JHGE O=C(O)CSc1nc2cc(I)ccc2n1C[C@@H]1C[C@H]1Br 2196886513 SDARPXZHOWJADE-IONNQARKSA-N 467.126 3.601 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCN3CCC[C@@H]3C2)CC1 2078758900 MMNOIJHFEGFCKH-CVEARBPZSA-N 464.388 3.835 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)c1c(Br)cccc1Br 2112710877 NSVSYHDDEGPJDO-ZDUSSCGKSA-N 455.972 3.838 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC[C@H](CBr)CC2CC2)CC1 2112872178 VYJZOJPSXOSHJF-YHAMSUFESA-N 452.459 3.753 50 10 JHGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)C=Cc1ccccc1Cl 2313752777 OBDGWWSISCYSLF-HNNXBMFYSA-N 453.951 3.996 50 10 JHGE CCc1nn(C)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1Br 2320361449 RWLGAMJSDJLCKF-AWEZNQCLSA-N 473.209 3.845 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCCCCCBr 2316824489 MONJYHXVAHQQDY-UHFFFAOYSA-N 473.433 3.718 50 10 JHGE Clc1ccc(CN2C[C@H]3OCC[C@@]3(CBr)C2)c(I)c1 2341051748 QPPHBOQFLKSMFF-ZIAGYGMSSA-N 456.549 3.930 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2355845351 MZKWOSHQKTUJPW-NCYKPQTJSA-N 455.462 3.724 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658128 BZDJPSHGULVWDM-UHFFFAOYSA-N 492.221 3.695 50 10 JHGE O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658435 IKSXDJWRMXTBRD-UHFFFAOYSA-N 474.231 3.556 50 10 JHGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1ccc2c(c1)OCO2 254551143 ZPBWBJFBDASEFP-UHFFFAOYSA-N 486.557 3.851 50 10 JHGE CCOC(=O)c1sc(NC(=O)NN=Cc2ccc(OC)c(OC)c2)c(C(=O)OCC)c1C 256018465 KYLYQZJWBIODAB-UHFFFAOYSA-N 463.512 3.583 50 10 JHGE CCOC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(OC)cc2)N2C=C(C#N)C=C[C@@H]21 504579726 QRONPCGXIRMSDP-BCCVMWATSA-N 483.524 3.773 50 10 JHGE C[C@@H](CCBr)NC(=O)c1ccc(I)c(Br)c1 721580010 RTLNICPWHDXXNG-ZETCQYMHSA-N 460.935 3.957 50 10 JHGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccccc3Cl)cc2)cc1 725409439 KHDHIYNLDRRRJU-UHFFFAOYSA-N 464.909 3.755 50 10 JHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 1084142634 NZLACVXFHXQFLE-UHFFFAOYSA-N 459.930 3.820 50 10 JHGE C[C@@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1084298925 DFBCMRHXLAFMLI-LJQANCHMSA-N 450.608 3.661 50 10 JHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Cl)CCC2 1772743495 AITWYRXNFGIPEO-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 1860560596 MECMRROTMBSJMI-UHFFFAOYSA-N 485.525 3.922 50 10 JHGE COc1ccc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866772181 QWSPXNCTJDQMRR-NHCUHLMSSA-N 455.580 3.822 50 10 JHGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1ccc(Br)cc1Br 1878684980 UAHAOFXFHKTHDA-QPUJVOFHSA-N 455.972 3.741 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC1CCCC1 1926790350 DXUXAHPFLMFOBU-INIZCTEOSA-N 485.444 3.572 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)C1 2110715132 KQSSMVHGYGMQBN-USBFQFRLSA-N 451.427 3.964 50 10 JHGE Clc1cc(CC[C@@H](Br)CN2CCOCC2)ccc1I 2142936935 MRWPOTVBVCTHHL-GFCCVEGCSA-N 458.565 3.973 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(F)ccc2CBr)C1 2179786364 ZOIULSMCGAVYMR-INIZCTEOSA-N 455.393 3.863 50 10 JHGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)ccn1 2179822128 SJEYQXULFUMZRR-UHFFFAOYSA-N 452.418 3.652 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179867621 YLYJNKYSJAPEMU-FQEVSTJZSA-N 452.418 3.586 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@]2(C[C@H](Cl)CO2)C1 2201776583 CLOJGDJMKCLFOT-HZMBPMFUSA-N 470.532 3.666 50 10 JHGE CS(=O)(=O)CC1CC(O[C@H](CI)c2cccc(Br)c2)C1 2207477520 HVQPPVVMGLBXNE-UZANAETPSA-N 473.170 3.765 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2CCO[C@]2(CBr)C1 2239895052 OHAXOICXADDKMX-YMTOWFKASA-N 467.983 3.838 50 10 JHGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(OCC)cc1 2314594036 XZYWCIGFNVWUNA-NRFANRHFSA-N 451.523 3.953 50 10 JHGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NN=Cc1cc(Cl)cc(Br)c1O 2318792692 LMAITZIDUMICHL-UHFFFAOYSA-N 495.786 3.609 50 10 JHGE Cc1cc(C(=O)NCC(F)(F)C(F)(F)CBr)ccc1I 2361673008 WGSBJDQPARAWBN-UHFFFAOYSA-N 468.026 3.995 50 10 JHGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1I 2365589851 ACAFRYXWFVAUFM-GXSJLCMTSA-N 472.548 3.959 50 10 JHGE Cc1ccc2nc(C(F)(F)F)cc(N3CCN(/C=C(\C#N)S(=O)(=O)c4ccccn4)CC3)c2c1 33705359 LPKXAOHJCVHDHM-BMRADRMJSA-N 487.507 3.918 50 10 JHGE C/C(=N/NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccc(-n2ccnc2)cc1 33768618 JPDJXGOMXABMNP-USHMODERSA-N 462.517 3.728 50 10 JHGE O=C(N[C@H]1CCCN(CCBr)C1)c1cc(Br)cc(Br)c1 384798078 XYVNNCZEHKTBEP-ZDUSSCGKSA-N 469.015 3.801 50 10 JHGE COC[C@@](C)(CBr)N(C)C(=O)c1cc(Cl)ccc1I 689311999 HKTARVRVVXYHFC-CYBMUJFWSA-N 460.537 3.817 50 10 JHGE COc1cccc(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccccc2)c1 1084328729 KRADIFGEEVEKRS-UHFFFAOYSA-N 469.588 3.763 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(OC(F)F)c3cccnc23)cc1 1203513930 UUZQYUAVWJBEPX-CYBMUJFWSA-N 458.421 3.659 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(COCc3ccco3)c2)cc1 1214733293 ZHHOSFIIJDDRHP-KRWDZBQOSA-N 451.479 3.819 50 10 JHGE CC(=O)N1C[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2Br)Oc2ccccc21 1299433260 SJOORCQJOUDNBP-MRXNPFEDSA-N 458.234 3.725 50 10 JHGE Cc1ccc(-c2ccc(C(=O)NNC(=O)CCCS(=O)(=O)c3ccc(C)cc3)c(C)n2)cc1 1865758572 HJAZYQPMUCRLAY-UHFFFAOYSA-N 465.575 3.689 50 10 JHGE COCc1ccc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)s1 1902478401 RCCWQBBMJSHHDK-ZIAGYGMSSA-N 453.342 3.834 50 10 JHGE CN1CC[C@H]([C@@H](Br)c2cc(Br)sc2Br)S1(=O)=O 1941946409 KIBGFJPUDHMFGH-SVRRBLITSA-N 468.030 3.743 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1 2010826040 VPYLBPUGZYOKSM-HRAATJIYSA-N 477.693 3.651 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CCOC[C@@H](CBr)C1 2036957464 HOKKPWYSSJJKMC-ZETCQYMHSA-N 462.001 3.757 50 10 JHGE CCOc1cc(I)c(I)c(C(=O)CBr)c1 2060132141 XFFJVYXRVJDOQH-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE O=C(NC[C@H](Cl)C(F)(F)F)c1ccc(I)c(Br)c1 2077146168 IVWONNNMCHGQNI-QMMMGPOBSA-N 456.427 3.953 50 10 JHGE ClC[C@@H]1C[C@@H]2OCCN(c3ncc(I)cc3Br)[C@H]2C1 2135045447 KVRJTUVSNAAEIZ-UWJYBYFXSA-N 457.537 3.671 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2S(=O)(=O)c1ccc(CBr)cc1 2163057025 XQHVMEHDERUDKR-IAGOWNOFSA-N 459.406 3.744 50 10 JHGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)n(C)c1 2179807950 BLLUMZXNERSUJI-RTBURBONSA-N 455.418 3.924 50 10 JHGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1ccc(Cl)c(I)c1 2283665018 SMTAHCPENVLYGY-KOLCDFICSA-N 472.548 3.959 50 10 JHGE COc1ccc(C=C(C#N)C(=O)NCc2ccccn2)cc1Cn1nc(C)c(Br)c1C 2295635792 FPEARZXLTMWMQM-UHFFFAOYSA-N 480.366 3.938 50 10 JHGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 2297710530 QJMWXKKGPIJIMT-UHFFFAOYSA-N 481.574 3.830 50 10 JHGE CC(C)(CI)CN1CCC[C@@H](N(CC(F)F)C(=O)C(F)(F)F)C1 2306821285 NUWQTAOINYNZIT-SNVBAGLBSA-N 456.237 3.568 50 10 JHGE CCc1nn(C)c(C(=O)N[C@H](CCBr)COCc2ccccc2)c1Br 2320362020 RWLGAMJSDJLCKF-CQSZACIVSA-N 473.209 3.845 50 10 JHGE CCCOc1c(Cl)cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1OCC 2323098326 VPGFWKJMECXTQA-UHFFFAOYSA-N 456.930 3.847 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CBr)CCCCC1 2338852105 KYSYFIPOBIDGBV-UHFFFAOYSA-N 485.444 3.860 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC2(C1)OCCC[C@@H]2Br 2365597142 ZOFVULRIBXKZKP-LBPRGKRZSA-N 470.532 3.713 50 10 JHGE CO[C@@H]1CN(Cc2ccc(I)c(Br)c2)[C@@H](CCl)[C@H]1OC 2377327184 QAKFEXRYKCVOEF-BFHYXJOUSA-N 474.564 3.507 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](NC[C@H]2C[C@@H](Br)C2)(C(=O)O)[C@@H]1C(F)(F)F 2378836539 YTHOFZFOUMOGII-AZKPJATDSA-N 459.303 3.535 50 10 JHGE O=C(COc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12502913 UNWRYANUEOFFPE-UHFFFAOYSA-N 488.997 3.573 50 10 JHGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Cl)cc(Br)c1OC 33959165 QDUMSPDZCIRIEX-WYMPLXKRSA-N 482.762 3.780 50 10 JHGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)cc1OC 40812022 BMZAZYOLFVFKSL-ZTKZIYFRSA-N 491.544 3.754 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 40987760 UTZLSUZLQNSONR-HMMYKYKNSA-N 450.535 3.947 50 10 JHGE N#CCOc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 58889322 ZIRLTJZFSZTZEF-QWUOEIFBSA-N 450.720 3.969 50 10 JHGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 58889700 JPXPZGYRWBLPON-LZUVTCDBSA-N 462.502 3.967 50 10 JHGE CCCCOc1ccc(/C=C\C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1OCC 96653110 AJIUKVQGQJFUQJ-OWBHPGMISA-N 450.539 3.554 50 10 JHGE NC(=O)[C@H](Br)Cc1c(Br)cc(Br)cc1Br 167319415 WOOUCGOYDDVDAG-MRVPVSSYSA-N 464.777 3.765 50 10 JHGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1 206403268 QHFVYEFDZHDMBM-MOSHPQCFSA-N 466.534 3.781 50 10 JHGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 254507379 NORIIRPEEXRRNF-UHFFFAOYSA-N 473.514 3.926 50 10 JHGE CCOc1cc(C=NNC(=O)Cc2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccco1 254669958 LTIADTSNQOLAGA-UHFFFAOYSA-N 452.463 3.608 50 10 JHGE FC(F)(F)Oc1nc(I)c(I)cc1CCl 396181190 NZXCZEHHNVARFS-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc(C(=O)OC)cc1 1084344394 RGFOIKGQLPYGMP-UHFFFAOYSA-N 498.996 3.759 50 10 JHGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(I)cc1 1084433506 ZMKMJGQEMXTMII-UHFFFAOYSA-N 481.293 3.910 50 10 JHGE CC(=O)N1CCc2c(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cccc21 1296768728 VIDAIBXADVIBIM-HKWRFOASSA-N 450.502 3.918 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccc(Cl)cc1F 1312942647 MMRNMBAGSAHUQZ-AWEZNQCLSA-N 455.273 3.860 50 10 JHGE C/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1587357010 IWOKQWKCVDEXJI-BUHFOSPRSA-N 459.524 3.553 50 10 JHGE COc1ccc(OC)c(C(=O)N/N=C(/C)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)c1 1615030261 AYWAGQFAYISZSW-QCIBADAUSA-N 467.522 3.687 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(F)ccc2N2CCC(C)CC2)cc1 1675142384 DQGGETFQZCZYPP-KRWDZBQOSA-N 456.518 3.885 50 10 JHGE O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771423 VVGSIZUUGKVFKA-UHFFFAOYSA-N 486.597 3.706 50 10 JHGE O=C(Nc1c(I)ncnc1I)c1cccc(CCl)c1 2121032712 GPPRNZHCIFVMRS-UHFFFAOYSA-N 499.477 3.677 50 10 JHGE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](NS(=O)(=O)c3ccc(CBr)cc3)[C@@H]21 2162602430 OPOSLHVCAUPXSV-BRWVUGGUSA-N 459.406 3.648 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H](CCCl)O1 2179383406 MTBDSVPPYBYRNZ-KOLCDFICSA-N 472.548 3.912 50 10 JHGE C[C@H](Br)COCc1cn(Cc2ccc(I)c(Cl)c2)nn1 2295796057 QXEHODBRIHLYDE-VIFPVBQESA-N 470.536 3.884 50 10 JHGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1 2296882259 MMBNONYXOBWFPG-UHFFFAOYSA-N 457.552 3.577 50 10 JHGE CC(C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)=Cc1ccccc1 2297469679 LXXKHSYUCVBGML-UHFFFAOYSA-N 474.550 3.652 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NN=Cc1coc2c(Cl)cc(Cl)cc2c1=O 2297659958 TVSCLSBDBBZZHV-OAHLLOKOSA-N 454.310 3.949 50 10 JHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NC[C@H]1CCCO1 2314522448 JGPJLCYAJALBQK-JOCHJYFZSA-N 456.502 3.513 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1snc(Cl)c1Cl 2336543155 GIZYKGCUMXWZIP-UHFFFAOYSA-N 451.010 3.885 50 10 JHGE C[C@@H]1C[C@@H](Br)CCN(C(=O)c2c(Br)c(Br)nn2C)C1 2338680387 BZXIIUSDLGVUPU-SFYZADRCSA-N 457.992 3.581 50 10 JHGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 10295688 XOYJSLITBIGLJA-CQSZACIVSA-N 494.411 3.649 50 10 JHGE CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc3ncccn3)c2C)cc1 10810548 BXBXITWMKHWTDN-OFBHVFLISA-N 459.506 3.760 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Br)cc3)cc2)c1 12485556 INTOZHJDHVSQOB-UHFFFAOYSA-N 482.334 3.850 50 10 JHGE O=C(NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 13619691 IUQWFMAVIKBEJX-HSZRJFAPSA-N 465.550 3.838 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)c(Br)c1 13977631 WKFYHQTXNNXJRF-UHFFFAOYSA-N 457.324 3.770 50 10 JHGE Cn1c(=O)n(C)c2cc([C@H](Br)c3cccc(I)c3)ccc21 51393077 GCEQIORCUWWVNF-OAHLLOKOSA-N 457.109 3.966 50 10 JHGE CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)cc1 59384229 MQVYJGYBBRQLGJ-AOOMUMSASA-N 473.396 3.791 50 10 JHGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NNC(=O)c2ccccc2)cc1 205963710 GDWUMKHTMJWSDK-HAVVHWLPSA-N 456.502 3.663 50 10 JHGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCCOC)cc1OC 206990401 BYQSGJOIFXQXCR-AZUPUNDDSA-N 489.528 3.666 50 10 JHGE CCOc1cccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 254409704 QNCHLTTUODIJKQ-VECKVTLJSA-N 472.545 3.778 50 10 JHGE Cc1ccc(-c2c(C(=O)NN=Cc3ccc(-c4ccccc4)cc3)nnn2-c2nonc2N)cc1 254760016 VFPADVWTHAOGEK-UHFFFAOYSA-N 464.489 3.639 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O 1084166973 OTOVTURKCPYYRF-UHFFFAOYSA-N 487.104 3.663 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)c1 1303283046 IFUGDGDGRSULNQ-UHFFFAOYSA-N 456.571 3.672 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc(OC)c1OC 1865691854 CNKZYGJDGHBFDG-NRFANRHFSA-N 450.470 3.623 50 10 JHGE Cc1ccc(-c2ccc(C(=O)NNC(=O)CCCN3C(=O)c4ccccc4C3=O)c(C)n2)cc1C 1865756263 OVWNDORCMYJYMF-UHFFFAOYSA-N 470.529 3.511 50 10 JHGE Cc1nnc(N2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)CC2)n1C 1868565519 MGHKXZWEGXABPT-UHFFFAOYSA-N 484.593 3.619 50 10 JHGE COCc1ccc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)s1 1902478400 RCCWQBBMJSHHDK-UONOGXRCSA-N 453.342 3.834 50 10 JHGE C[C@@H]([C@H](Br)c1cc(Br)sc1Br)S(=O)(=O)N(C)C 1941948602 QGOBWUCUDPAPRQ-XNCJUZBTSA-N 470.046 3.989 50 10 JHGE CCOc1ccc(C(=O)CBr)c(I)c1I 2060131313 DQBRLVFMORCTRA-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE COC[C@](C)(CCBr)NC(=O)c1cc(Cl)ccc1I 2101778779 ZMTOIYKIEVWFIE-ZDUSSCGKSA-N 460.537 3.865 50 10 JHGE FC(F)(F)c1cnc(N2CCO[C@H](CCBr)C2)c(I)c1 2172869505 QTYKWPYFBWMWSB-SECBINFHSA-N 465.051 3.695 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C(C)(C)C1 2188965965 PYHFHKTXWLMGOL-HNNXBMFYSA-N 461.422 3.895 50 10 JHGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)N1CCC[C@H](CCBr)C1 2197754850 HLMNNBJDFDZQLW-UYAOXDASSA-N 459.450 3.800 50 10 JHGE BrCCOCc1cn(-c2ccc(Br)cc2I)nn1 2223625078 CMQKFORJJNWDRB-UHFFFAOYSA-N 486.933 3.546 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2OCC[C@]2(CCl)C1 2296373671 YCOQGEUIUBBJSC-JSGCOSHPSA-N 470.532 3.524 50 10 JHGE COc1ncc(Cl)cc1CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2301822673 KNLQYHMLPJBAQD-STQMWFEESA-N 468.719 3.683 50 10 JHGE CC(C)(CI)CN1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2306819816 XVMWYEMPIXGUDL-RKDXNWHRSA-N 460.200 3.521 50 10 JHGE C[C@H](CCl)[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364209043 OJAGPTMXBJXJJZ-YLJYHZDGSA-N 455.020 3.902 50 10 JHGE COC[C@]1(CBr)C=CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2379836233 FHGWWZYBSUMTIF-LLVKDONJSA-N 465.616 3.505 50 10 JHGE CS(=O)(=O)[C@H]1C[C@@H](CO[C@@H](CI)c2ccccc2Br)C1 2381027752 DORXBXCWJXJZSI-WDMOLILDSA-N 473.170 3.765 50 10 JHGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 31902253 UICNIJUHDCRBFV-UYRXBGFRSA-N 468.465 3.970 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc2ccccc2oc1=O 40902347 ZJSBDNDIXWUMSY-WOJGMQOQSA-N 470.437 3.837 50 10 JHGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCCN2CCOCC2)c(OC)c1 96437216 BMAGZSMICHQLJL-AQTBWJFISA-N 471.941 3.614 50 10 JHGE O=C(NC1(CBr)CCOCC1)c1cc(Br)c(Br)s1 230746522 UQQPFXKPIDBFTJ-UHFFFAOYSA-N 462.001 3.947 50 10 JHGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1ccccc1Cl 256028486 PMPPAXYULXWPSW-UHFFFAOYSA-N 463.972 3.604 50 10 JHGE COc1ccc(OC)c(C(=O)N/N=C(\C)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)c1 407947188 AYWAGQFAYISZSW-VJCCSRPRSA-N 467.522 3.687 50 10 JHGE CC(=O)OCC(=O)[C@]1(OO)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](OC(C)=O)C[C@@]21C 504102485 OUZLVNAZQRKHBA-XNWNGXJOSA-N 492.540 3.535 50 10 JHGE C#CCOc1cc(F)ccc1NC(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 1201314156 IFRVOACOGYNONJ-UHFFFAOYSA-N 455.449 3.914 50 10 JHGE CC(C)(C)OC(=O)N1CCCC2(C1)CN(S(=O)(=O)c1ccc(CBr)cc1)C2 1260505403 DJHSNRYTHRQFLL-UHFFFAOYSA-N 459.406 3.603 50 10 JHGE CCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OCC 1860772678 FSRRUDFHDKMBHN-ZMFRSBBQSA-N 468.579 3.675 50 10 JHGE COc1ccc2c(c1)c(/C=N/NC(=O)Cn1cnc3scc(-c4ccccc4)c3c1=O)cn2C 1860772852 JFJDBNSKUYESHF-LUOAPIJWSA-N 471.542 3.776 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682549 REKPMQKCKKZANJ-QFIPXVFZSA-N 467.485 3.875 50 10 JHGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)C4CC4)CC3)nc(-c3cccnc3)n2)cc1 1868564692 DHPRDYQXLJDLIV-UHFFFAOYSA-N 457.563 3.914 50 10 JHGE Brc1cccc(Br)c1CO[C@H]1COC[C@H]1I 1901778081 OQISTXHBUUEUQN-MNOVXSKESA-N 461.919 3.931 50 10 JHGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1915268087 KFEAUZOIYGOILC-OAQYLSRUSA-N 462.999 3.768 50 10 JHGE O=C(CNc1ccc2ccccc2c1)NNC=C1C=C(Br)C(O)=C(Br)C1=O 2053598466 FLGYCSPPJQJZCH-UHFFFAOYSA-N 493.155 3.782 50 10 JHGE CCCc1nc(Br)cc(=NCCSSCCNC(=O)OC(C)(C)C)[nH]1 2061264686 SFEKQUBQXRHMOJ-UHFFFAOYSA-N 451.456 3.932 50 10 JHGE CCOC[C@H](Br)CNC(=O)c1ccc(Br)cc1I 2086147225 KRRJYXWAHJVLJS-SECBINFHSA-N 490.961 3.584 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(I)ccc2O)CC[C@H]1CCBr 2172479575 ZTMIEIOBBNIAEV-GHMZBOCLSA-N 452.130 3.880 50 10 JHGE COc1cc(F)c(Br)cc1[C@H](Br)c1nn(C)nc1Br 2226986854 LUCOLMPUZMJTHN-VIFPVBQESA-N 457.923 3.972 50 10 JHGE CC[C@]1(CBr)COCCN1C(=O)c1cc(C)ccc1I 2240925073 OADVOERTPLVYQB-HNNXBMFYSA-N 452.130 3.616 50 10 JHGE Cc1ccc(CBr)cc1NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2278726588 ZKSCLBZSGHDTOB-UHFFFAOYSA-N 479.396 3.954 50 10 JHGE CC1(C)OCCN(C(=O)c2cc(Cl)ccc2I)[C@H]1CBr 2282890462 NKYGGNVFOUMAGR-LBPRGKRZSA-N 472.548 3.959 50 10 JHGE CC1(C)CC(CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338851430 FGWGLBZQCGXYEN-UHFFFAOYSA-N 485.444 3.716 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@]2(CCC[C@H]2Cl)C1 2364216495 OMZWFINVKXOPOU-DENIHFKCSA-N 453.004 3.656 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] 40647679 GEGKZLSWYMPLNV-UHFFFAOYSA-N 489.319 3.776 50 10 JHGE Cc1c(C(=O)NNC(C)(C)C)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823323 JSBUMYLLIFSJIK-JQAMDZJQSA-N 474.377 3.610 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccc3c(c2)OCO3)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384978 VGJNTPABGXGTTN-BMUJQWSWSA-N 463.346 3.665 50 10 JHGE O=C(/C=C\c1ccc(-c2cccc(Cl)c2)s1)NNC(=O)c1ccc(-n2cnnn2)cc1 213014054 XXLLNCRSYYYQFS-LUAWRHEFSA-N 450.911 3.519 50 10 JHGE COc1ccccc1N1[C@H](c2ccccc2C)[C@H]2C(=O)OC(=O)[C@@H]2C12C(=O)c1ccccc1C2=O 253567761 KKLIRTQMIMJBBV-YTFSRNRJSA-N 467.477 3.699 50 10 JHGE N#Cc1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)sc2c1CCCC2 254499035 HAMYCLGYJRPOQI-UHFFFAOYSA-N 478.555 3.868 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ncsc2Cl)C1 711638069 DYGWABZQBXUMPD-MRVPVSSYSA-N 451.633 3.550 50 10 JHGE COCCCN1CCC(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 727105615 HRHIROCYOPXIFS-CAPFRKAQSA-N 481.000 3.641 50 10 JHGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(Cc4ccc([N+](=O)[O-])cc4)c4ccccc43)c2cc1C 1084150618 FMVOQMQCIQABNL-UHFFFAOYSA-N 482.500 3.629 50 10 JHGE C/C(=C\C1CCC(C)CC1)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1136034109 PNHZHIWTSSBRMA-KNTRCKAVSA-N 458.566 3.922 50 10 JHGE Cc1c(C(=O)Nc2nccs2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746763 GOVCQKIANXTRPA-UHFFFAOYSA-N 474.340 3.925 50 10 JHGE O=C(N[C@@H](CCBr)C(F)(F)F)c1cccc(F)c1I 1918581840 CRYDXUCVWTVBPA-QMMMGPOBSA-N 453.999 3.876 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(I)ccc2Br)C[C@@H]1Cl 2130815905 BZGCITQDHKMUMF-JFUSQASVSA-N 458.521 3.568 50 10 JHGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2131196228 CFLSMIINIQGFAB-IRXDYDNUSA-N 455.443 3.846 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@]2(CBr)CCC[C@@H]12 2165244555 LBDAZIUSQGQGSX-KNQAVFIVSA-N 497.455 3.812 50 10 JHGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cn1 2239859000 RSXFHISTBPBXHU-UHFFFAOYSA-N 452.418 3.652 50 10 JHGE Cc1ccc(I)c(C(=O)N2C[C@H](C)O[C@@H](CCBr)C2)c1 2240901454 PNHPGAXKTUCQCC-RYUDHWBXSA-N 452.130 3.614 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(C)cc(Br)cc2C)cc1 2314785128 PGJNIILDJXDFJP-UHFFFAOYSA-N 487.350 3.720 50 10 JHGE CN(CC1CC(Br)C1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 2378614950 ATWPKDMTCLSEAC-QWQCLYJRSA-N 455.340 3.581 50 10 JHGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)c1 10671827 VZRAFJLUOHUYOM-MRXNPFEDSA-N 451.548 3.732 50 10 JHGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 14650727 HUMMLEIRFOGCMN-UHFFFAOYSA-N 450.289 3.857 50 10 JHGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14664714 YBEWYASAYZRJHO-LBPRGKRZSA-N 470.378 3.884 50 10 JHGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(Br)cc1 21001806 GYAQSNICOCKHAW-UHFFFAOYSA-N 462.525 3.705 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654693 UGROJTOUVJBBKG-DEOSSOPVSA-N 473.441 3.806 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cccc(C(C)C)c1 41015242 PVFQHWLXWFKSDW-FYJGNVAPSA-N 464.518 3.569 50 10 JHGE C[C@@H](Sc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1)C(=O)NNC(=O)C1CCC1 59879690 MCNLWXAXOWQBKR-NXYZXBHKSA-N 487.589 3.985 50 10 JHGE O=C(CN1C(=O)/C(=N\NC(=O)c2ccc(Br)cc2)c2ccccc21)Nc1ccccc1 103312109 WDTMFFMSUNYPJX-QLYXXIJNSA-N 477.318 3.569 50 10 JHGE CCOC(=O)Cc1cs/c(=N/C(=O)/C(C#N)=C\c2ccccc2)n1C(=O)/C(C#N)=C/c1ccccc1 105609260 MZMZULLIFGTMEV-UXIJYLBQSA-N 496.548 3.937 50 10 JHGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 106141062 OSJRUHSLKMFBON-PXLXIMEGSA-N 472.526 3.775 50 10 JHGE COC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 137615007 DXERAGCQPJPJOT-HJQCKMEQSA-N 452.931 3.526 50 10 JHGE CCCn1nc(C(=O)NNC(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2c1=O 206844321 OJASPWZSLWTNSA-NTMALXAHSA-N 478.858 3.953 50 10 JHGE C[C@@H]1CO[C@@H](CCl)CN1C(=O)c1cc(I)ccc1Br 235265833 WLNQHKDPUAMWKH-SCZZXKLOSA-N 458.521 3.522 50 10 JHGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3ccccc32)cc1 254530911 LZWDVVJOVUNRGT-HCAZFIRUSA-N 495.583 3.801 50 10 JHGE FC(F)(F)Oc1ncc(I)c(I)c1CCl 396173036 ZIKBFTPJJSLVHZ-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)c2cc(Cl)ccc2I)C1 401509230 UUDOSNYUCVXBGS-CYBMUJFWSA-N 458.521 3.571 50 10 JHGE O=C(CCBr)Nc1cc(I)cc(I)c1 606301853 KSZAWBJDEMCFNR-UHFFFAOYSA-N 479.881 3.619 50 10 JHGE COc1cc(C=NNC(=O)CSCc2cccc(Br)c2)cc(OC)c1OC 1084433080 XZMDXBHKVHYRNZ-UHFFFAOYSA-N 453.358 3.858 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)cc1 1310492237 RVCXMJZIJPNUEB-QGZVFWFLSA-N 457.490 3.848 50 10 JHGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)s1 1540321845 DGUKMZCTVWIVMO-UHFFFAOYSA-N 454.788 3.858 50 10 JHGE CC(C)CCN1C(=O)C(=NNC(=O)CCCNC(=O)c2ccccc2Cl)c2ccccc21 1772719609 DOUBUGWTDPOICN-UHFFFAOYSA-N 454.958 3.763 50 10 JHGE CCCOc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OCC 1860772943 LMXGWONFAHVIGE-BYEGDDEQSA-N 482.606 3.921 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)cc1 1865971594 KMKBFJUGWBJEGX-NHCUHLMSSA-N 490.493 3.734 50 10 JHGE O=C(N[C@H]1C[C@@H](Br)C1)c1ccc(Br)cc1I 1995285677 JOLINPYXXQGMOE-OCAPTIKFSA-N 458.919 3.709 50 10 JHGE O=C(NC[C@@H]1C[C@@H]1CBr)c1ccc(I)c(Br)c1 2005981378 FXQYPJVKTOWXSI-BDAKNGLRSA-N 472.946 3.815 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCCCN2CCCCCC2)C1 2007039363 IFBPLYLXHVDNOP-HOTGVXAUSA-N 452.377 3.692 50 10 JHGE O=C(CBr)c1cc(I)c(S)c(I)c1 2060155562 VESMSXNDEFKXDY-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE Cc1ccnc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1Br 2061267799 JHBGHFHZPGECBH-UHFFFAOYSA-N 450.424 3.788 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1cc(CBr)sc1Br 2076249374 BQNBZKSGQQWZBM-POYBYMJQSA-N 482.057 3.809 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2ccc(I)c(Cl)c2)C1 2121336609 HSVZCCXMTHVUEV-IKMPQNOCSA-N 476.476 3.813 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(CC2(CBr)CCOCC2)C[C@@H]1C(F)(F)F 2163058331 JSQDMIOPNFJFKF-KGLIPLIRSA-N 459.347 3.813 50 10 JHGE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)c1ccc(CBr)cc1)c1ccco1 2172876757 ICOUGJYBWSLTBB-OAHLLOKOSA-N 459.362 3.719 50 10 JHGE C[C@@H](Br)CN(C(C)(C)C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2259769275 KIZOBEKQPWEFKI-CQSZACIVSA-N 473.433 3.523 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268350168 ZJFXAVYATGDCGU-VHSXEESVSA-N 458.521 3.569 50 10 JHGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2296964427 YANVXYNPTJOJLW-UHFFFAOYSA-N 472.866 3.701 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc(C)c1Cl 2313864388 LWFABIIDEBZKSU-UHFFFAOYSA-N 452.363 3.724 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(C)(C)C)CN(CCOCCI)C1 2326643943 XSTBPPMUSXRONW-JKSUJKDBSA-N 468.420 3.947 50 10 JHGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 10453218 NJMOZOIBXKIJAC-UHFFFAOYSA-N 484.803 3.940 50 10 JHGE COc1ccccc1/C=C\C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 33566559 LXDLEPROWJWHFO-SSZFMOIBSA-N 461.543 3.623 50 10 JHGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 40935754 MYLGGKXVYNPQTA-QGOAFFKASA-N 452.422 3.786 50 10 JHGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccccc4Cl)c3[N+](=O)[O-])CC2)c1C 54520659 MKVVZORKAOQIKJ-UHFFFAOYSA-N 481.944 3.739 50 10 JHGE COc1cc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC 59148446 BNRNNJYJRMOGAA-MFKUBSTISA-N 484.530 3.552 50 10 JHGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Br)n1-c1ccccc1 59844920 HMCHRCUYAFRWJL-CQSZACIVSA-N 488.411 3.981 50 10 JHGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C 110678653 AUMRIZRYTNGXMH-OAQYLSRUSA-N 476.602 3.879 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(OC)cc1 254850601 FTYSJJACIYIXFO-UHFFFAOYSA-N 463.446 3.985 50 10 JHGE O=S(=O)(CCCCCl)Nc1cc(I)ccc1Br 304201377 NDQKXTACSMMFLI-UHFFFAOYSA-N 452.539 3.814 50 10 JHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1 1083998125 DNVJHWIKGRUUSK-UHFFFAOYSA-N 466.365 3.753 50 10 JHGE CC(=O)Nc1ccc(C(C)=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 1084116838 YSLZTVFKIXOUGU-UHFFFAOYSA-N 496.564 3.828 50 10 JHGE C=C(C)C[C@@H](NC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC 1557937067 CYVDJXFWIBNEOD-HSZRJFAPSA-N 453.655 3.577 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ncc(Cc3ccccc3F)s2)cc1 1669691274 CYBWYNUJLVAEGF-AWEZNQCLSA-N 456.499 3.696 50 10 JHGE C[C@H]1[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 1914423227 IDXSHKNCXWHFQP-CBAPKCEASA-N 462.001 3.758 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC 2053622575 FQLCQTUAIGWOGT-UHFFFAOYSA-N 479.230 3.762 50 10 JHGE C[C@H](Br)c1ccccc1NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108247121 ZDPITNSAEBPCJO-RBZFPXEDSA-N 483.359 3.909 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCO[C@@H](CCBr)C1 2116238887 NKDZIFJBKRXHSQ-LBPRGKRZSA-N 455.972 3.838 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146692306 JHRODGQTDWLINJ-XQQFMLRXSA-N 467.983 3.979 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CCl)C[C@@H]2CCCC[C@@H]21 2240728699 MOKCJXFJHPVGQJ-BXWFABGCSA-N 453.004 3.511 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2OCC[C@]2(CCl)C1 2296373672 YCOQGEUIUBBJSC-OCCSQVGLSA-N 470.532 3.524 50 10 JHGE CCOc1cc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc(Br)c1O 2328826151 KRWGMTAAFOHJEP-AWEZNQCLSA-N 490.420 3.650 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)CCC1(C)C 2338681816 LANYKIZANTZIQC-ZETCQYMHSA-N 457.992 3.723 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCCC[C@@H]1CBr 2338849457 INFVPJOUHJTWCD-QGZVFWFLSA-N 485.444 3.812 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)c1cnccc1CBr 2338991921 RNKSUKOUXVMWLE-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2358642527 UWCKCNFYQKNLER-BFYDXBDKSA-N 459.406 3.505 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(Br)c1 13619721 CNDHZVIBVFMIGV-LJQANCHMSA-N 491.382 3.970 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccc(OC)cc1 14650293 YRLPBRTUOQFFCJ-UHFFFAOYSA-N 494.411 3.515 50 10 JHGE COc1cc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc(OC)c1OC 14650733 BXNIUVISWHTHAI-UHFFFAOYSA-N 495.370 3.975 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 59384198 AEAIFSBCOQZIHZ-KCBMDGGTSA-N 464.334 3.845 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1 254451831 MORHREMRFLWAPR-UHFFFAOYSA-N 488.569 3.954 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)N1CCC(F)(F)[C@H](CBr)C1 403889674 GAPMFSDBQFZLEJ-MRVPVSSYSA-N 453.168 3.860 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(CBr)c1 704000295 RPDDQEQRYLEPIR-UHFFFAOYSA-N 465.369 3.646 50 10 JHGE O=C(NNC(=O)c1cc(F)ccc1Br)c1cc2c(Br)cccc2[nH]1 728547083 MDXYFPUGKDNSPL-UHFFFAOYSA-N 455.081 3.907 50 10 JHGE CCOC(=O)NNc1nc(NCc2cccc(Cl)c2)nc(NC2Cc3ccccc3C2)n1 1088703091 BUTNJHUKFJXOQL-UHFFFAOYSA-N 453.934 3.789 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(Br)ccc2Br)c1 1176937410 LKFSUDVGIIZMKN-UHFFFAOYSA-N 453.159 3.824 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 1644011363 GAWQRVHRMSZNMZ-JXFKEZNVSA-N 452.580 3.888 50 10 JHGE Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)c1 1865851461 CCEGOOZBVQUUCW-WBVHZDCISA-N 494.617 3.571 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@H](C(=O)NNc2ccccn2)C1 1873777106 ADVNSXVXNPAKMB-KBPBESRZSA-N 481.778 3.647 50 10 JHGE COCCn1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c2cc(OC)ccc21 1873793147 YTRYWKBIWURZTL-WGOQTCKBSA-N 460.575 3.832 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 1873794710 WKCNFPVPNDHCRV-JFUCICATSA-N 458.353 3.553 50 10 JHGE C[C@@H](NC(=O)c1cccc(I)c1)c1nnc(CBr)s1 1877558611 QCQKWHQYCCLFDL-SSDOTTSWSA-N 452.115 3.529 50 10 JHGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H](Br)C1 1893144378 PEJLUHTVEOQLBA-VDHUWJSZSA-N 455.393 3.775 50 10 JHGE O=C(NCC=CCBr)c1ccc(I)c(Br)c1 1982999448 HHTLNYGICUSZIW-UHFFFAOYSA-N 458.919 3.735 50 10 JHGE O=C(NCCOCCCBr)c1ccc(I)c(Br)c1 2042201745 UTRYJNSHZQDBII-UHFFFAOYSA-N 490.961 3.585 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CCO[C@H](CCBr)C1 2052688711 POFJVWUSQWVBEP-SSDOTTSWSA-N 462.001 3.899 50 10 JHGE O=S(=O)(NC[C@]1(F)C[C@H](CBr)C1)c1cc(Cl)c(Br)s1 2112393376 KTXZFENZBZIHKE-HDKIZWTHSA-N 455.596 3.956 50 10 JHGE CCCN1CC[C@@H]([C@@H](Br)c2ccc(F)cc2I)S1(=O)=O 2145768511 MJGPSUSHBOYFCN-STQMWFEESA-N 476.149 3.680 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c1CBr 2179791293 PLTWQHUJBDAIJQ-UHFFFAOYSA-N 452.374 3.857 50 10 JHGE CC1(C)CN(S(=O)(=O)c2cc(CBr)ccn2)CCCN1Cc1ccccc1 2193722213 RKMWHBIDJYUXKH-UHFFFAOYSA-N 452.418 3.652 50 10 JHGE CCn1ncc(-n2c(CCl)nc3cc(Br)cnc32)c1I 2280057128 NNTXIGCGAPIWTD-UHFFFAOYSA-N 466.508 3.743 50 10 JHGE Cc1cc(C(=O)N2CCOC(C)(C)[C@@H]2CBr)ccc1I 2282812293 YXZKNIXTHKHQGC-ZDUSSCGKSA-N 452.130 3.614 50 10 JHGE CN([C@@H](CBr)c1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2296315492 UKLYERLGSLWXRL-FQEVSTJZSA-N 493.423 3.851 50 10 JHGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1ccc(Br)cc1 2296837164 CZKYXMKVNCSRQR-GOSISDBHSA-N 472.364 3.630 50 10 JHGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CN1CCN(Cc2ccc3c(c2)OCO3)CC1 2325078883 PUZLECDIPPIINI-HXUWFJFHSA-N 476.577 3.525 50 10 JHGE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3sc(C(C)=CC#N)c(C)c3C(=O)OC)CC2=O)cc1 2331560226 IKLBNKIRFRVQOR-QGZVFWFLSA-N 495.557 3.938 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1ccc(Cl)cc1I 2340053523 BMBFLFICVGDKBK-WPRPVWTQSA-N 458.521 3.569 50 10 JHGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1ccc(Cl)cc1I 2365589854 ACAFRYXWFVAUFM-ONGXEEELSA-N 472.548 3.959 50 10 JHGE COCCOCCOCCO[C@H](CI)c1cccc(Br)c1 162595736 SJOMMKRPGCBJSK-OAHLLOKOSA-N 473.145 3.621 50 10 JHGE COc1ccc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1OC 254380435 CYFNVDHDIUEAJO-UHFFFAOYSA-N 473.938 3.922 50 10 JHGE CC(=O)[C@H](Br)c1c(I)cccc1I 306916097 WLXDGCQVDYIFJE-VIFPVBQESA-N 464.866 3.921 50 10 JHGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1ccc(I)c(O)c1 312415555 GKXACKAMAXAACH-GHMZBOCLSA-N 452.130 3.928 50 10 JHGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc(C)n(-c3cc(C)ccc3C)c2C)CC1 725433463 ZEKBWLQUSWHXET-UHFFFAOYSA-N 487.604 3.518 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1 727293176 RCBLCMQHGAKHEC-UHFFFAOYSA-N 480.609 3.609 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCCN2CCN(c3ccccc3)CC2)c(-c2ccccc2)n1 915196112 HOFYNLDOMMTVMI-NJNXFGOHSA-N 493.615 3.699 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3)cc2C)cc1 920848317 ALBKNSMXSCXOLW-PGMHBOJBSA-N 498.587 3.888 50 10 JHGE C=C[C@H](CBr)NC(=O)c1cc(Br)ccc1I 1993699535 RCYMOOYUCGKZAE-MRVPVSSYSA-N 458.919 3.733 50 10 JHGE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)S(=O)(=O)c1ccc(CBr)cc1 2163052659 GHFPHESLFPKEAO-RHSMWYFYSA-N 461.422 3.848 50 10 JHGE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNC(=O)N2CCC(Br)CC2)CC1 2178645239 MSNVXDQCMALMHE-QUWSVYMGSA-N 450.393 3.979 50 10 JHGE O=S(=O)(c1occc1CBr)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2179830468 LQZWGZICBAKOKA-MOPGFXCFSA-N 453.402 3.850 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179867622 YLYJNKYSJAPEMU-HXUWFJFHSA-N 452.418 3.586 50 10 JHGE O=C(Cc1ccccc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190676827 FZECFEMLCOXZHW-UHXUCMFUSA-N 452.105 3.699 50 10 JHGE C=C[C@]1(CBr)COCCN1C(=O)c1cc(Cl)ccc1I 2199849045 QJYLDZVQSXNWSA-AWEZNQCLSA-N 470.532 3.737 50 10 JHGE CN1CCC[C@H](CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2214887232 UBRQWTUPNYIVHJ-YJBOKZPZSA-N 452.377 3.550 50 10 JHGE COC(=O)[C@@H](I)CNCc1c(Br)sc2ccccc12 2224708647 HSVUUEPGVBYNST-JTQLQIEISA-N 454.127 3.730 50 10 JHGE O=C(NN=Cc1ccc2c(c1)OCO2)C(=Cc1ccco1)NC(=O)c1ccc(Br)cc1 2293631472 VJALWEMEEFZEPH-UHFFFAOYSA-N 482.290 3.692 50 10 JHGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)C(=Cc1cccs1)NC(=O)c1ccccc1Cl 2293968651 UAUBJEFWHGLEHI-UHFFFAOYSA-N 470.894 3.937 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2OCC[C@]2(CCl)C1 2296379892 FOKFYWPBHVIKIG-OCCSQVGLSA-N 470.532 3.524 50 10 JHGE Cc1cc(C=C(C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313563404 CVSPHFIKVXRQKZ-UKILVPOCSA-N 494.511 3.698 50 10 JHGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1C 2314808185 RZAUXXSTGJZYRG-UHFFFAOYSA-N 491.456 3.713 50 10 JHGE CCN(CCCCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826371 IHLBMUZZEXQZBM-UHFFFAOYSA-N 473.433 3.670 50 10 JHGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)c(OC)c2)cc1OC 2320506714 PXLSJLYOVKCVHV-UHFFFAOYSA-N 498.491 3.978 50 10 JHGE C[C@@H]1C[C@H](C(F)(F)F)N(CCOCCI)CCN1C(=O)OC(C)(C)C 2326642818 ULZIIAMALMKPOY-CHWSQXEVSA-N 480.309 3.700 50 10 JHGE C[C@@H]1C[C@H](Br)[C@@H](C)N(C(=O)c2c(Br)c(Br)nn2C)C1 2338670157 NBPLGPDDMAKBHM-PRJMDXOYSA-N 457.992 3.579 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)[C@H]1CC=CCC1 2364230392 LUJQOPDCPAQNNX-IUCAKERBSA-N 470.003 3.795 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)ccc1Cl 10333788 YHCXUKBKBYSXCV-UHFFFAOYSA-N 498.004 3.984 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 13619665 JWPGKIDFVOTIRF-HSZRJFAPSA-N 473.529 3.880 50 10 JHGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)ccc1Cl 33467783 DMZXTTWAPAHZOB-LYPXWFNGSA-N 478.936 3.959 50 10 JHGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 33768837 KQVSGRCLFMIYTF-PHJXOXRPSA-N 458.518 3.560 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cccnc1 252632065 VPPLYVWMUIAZBS-HNNXBMFYSA-N 455.975 3.756 50 10 JHGE CCn1c(SCC(=O)NN=C(C)c2ccc(OC)c(OC)c2)nnc1-c1ccc(C)cc1 254401902 FSKGFQAJJIIHGW-UHFFFAOYSA-N 453.568 3.923 50 10 JHGE O=C(NCC1(CBr)CCOCC1)c1ccc(I)c(Cl)c1 700910427 FBDUDACLTOXKLX-UHFFFAOYSA-N 472.548 3.866 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](CBr)C1 721594024 NJECIVDYQNOWNY-MRVPVSSYSA-N 472.946 3.911 50 10 JHGE CCn1c(SCCCC(=O)NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])nc2ccccc21 1084136379 UXEUJNNDWUORIY-UHFFFAOYSA-N 457.512 3.701 50 10 JHGE C=CCOc1cccc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)c1 1084347197 GEYIKHUYEHWDMI-UHFFFAOYSA-N 493.585 3.996 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(Br)c(F)c1 1260857793 JRPGHFUCRJFIEQ-UHFFFAOYSA-N 489.454 3.773 50 10 JHGE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NNC(=O)c1sc2cc(F)ccc2c1Cl 1558911757 NAEKDELHRHIEJB-QGZVFWFLSA-N 459.930 3.991 50 10 JHGE C[C@H](NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)c1ccccc1 1858688151 KYNDSTDAAUXQNL-AWEZNQCLSA-N 454.414 3.996 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc(OC)c1OC 1865692581 NOHDAADWXRRMNE-HNNXBMFYSA-N 452.433 3.802 50 10 JHGE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)NCC(=O)Nc2ccc(SC#N)cc2)s1 1868132550 YTCXRUOMGPKEMM-UHFFFAOYSA-N 471.589 3.701 50 10 JHGE O=C(NCCOCCCI)c1cc(Br)sc1Br 1997684886 ZKRPTPSLXCLXJR-UHFFFAOYSA-N 496.990 3.845 50 10 JHGE CCN(C[C@](C)(CI)O[C@@H]1CN2CCC1CC2)C(=O)OC(C)(C)C 2021067727 IOESONTWSWAXLF-QAPCUYQASA-N 452.377 3.548 50 10 JHGE CC(C)(C)C[C@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233870 YIRTUESETBCZLU-HNNXBMFYSA-N 473.433 3.572 50 10 JHGE CCOC(=O)Cc1cc(I)c(CCl)cc1I 2055329941 XTKQKESGUXMBNF-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1F 2179785243 JGTGRYDOUNMAED-UHFFFAOYSA-N 460.365 3.575 50 10 JHGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)n(CC)c1 2179786987 IGBYREIPSNRTBD-GOSISDBHSA-N 454.434 3.688 50 10 JHGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(CCCBr)cc2)C1 2179863572 OKSXGJKQAQFKTN-FQEVSTJZSA-N 451.430 3.909 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)Cc1cccc(Br)c1 2226100838 DCMGSJJXUYZLOL-GXFFZTMASA-N 460.175 3.718 50 10 JHGE COc1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2294168493 NXKGPYMSAUWFCJ-QGZVFWFLSA-N 468.422 3.506 50 10 JHGE Cn1nc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)c1Cl 2303537657 HGACAGBOZZSVET-LBPRGKRZSA-N 479.600 3.936 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(CCOCCI)C2)C1 2326640427 CSBZTSQEHRSSCC-SJORKVTESA-N 466.404 3.797 50 10 JHGE CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)cc1 2329654161 GKWKMJVLPSRZLW-UHFFFAOYSA-N 460.943 3.674 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)c1ccsc1 2338680880 VHRGGZLTKWCBKP-SSDOTTSWSA-N 472.000 3.873 50 10 JHGE COCCN1C[C@H](Br)[C@H](Cc2ccc(Cl)cc2I)C1 2341059724 NSWLLROFWINCQV-YPMHNXCESA-N 458.565 3.829 50 10 JHGE ClCC12COC(CNCc3ccc(I)c(Br)c3)(C1)C2 2349839240 FZRVIDNMBWWXNG-UHFFFAOYSA-N 456.549 3.931 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(C)c(I)c1 13980484 IBYYKEHRIFJQMW-ZDUSSCGKSA-N 466.319 3.953 50 10 JHGE CC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650683 MZBHXSPQMGBFDK-UHFFFAOYSA-N 462.344 3.907 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601480 CERWHNGNSOQBHV-KOEQRZSOSA-N 468.897 3.688 50 10 JHGE C[C@@H](CBr)CNC(=O)c1cc(Br)ccc1I 235084335 IDTYBUKTPDPGDC-ZETCQYMHSA-N 460.935 3.815 50 10 JHGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC 252624772 PUSCMCDSGNPRFX-UHFFFAOYSA-N 497.573 3.803 50 10 JHGE COc1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 263629331 VTVBPROMIOXDND-IXKTZPFVSA-N 487.516 3.591 50 10 JHGE Nc1cc(N)cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382732877 VKMGEVHMGOGXSX-MAUKXSAKSA-N 451.308 3.638 50 10 JHGE COc1ccc(OC)c(C(=O)N/N=C(\C)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2)c1 407947190 AYWAGQFAYISZSW-ZREOKRIHSA-N 467.522 3.687 50 10 JHGE C[C@H](C(=O)N/N=C\c1ccc(F)c(Br)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860773611 BXCLEFSBADNUFC-WMNNYHSGSA-N 477.359 3.950 50 10 JHGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851380 AGPBPGGTAFDDLZ-CVEARBPZSA-N 482.606 3.636 50 10 JHGE O=C(NC1(C(=O)NC[C@@H]2C[C@@H]2Br)CC1)OCC1c2ccccc2-c2ccccc21 1890631373 RCOPGBIELRXCQW-XOBRGWDASA-N 455.352 3.957 50 10 JHGE O=C(c1ccc(I)cc1)N1CCC(CI)CC1 1949202928 YIZDODYUVXCFEY-UHFFFAOYSA-N 455.077 3.578 50 10 JHGE O=C(N[C@H]1CCCN(CCBr)C1)c1csc(Br)c1Br 2093947287 SIURERMRQCTDJX-QMMMGPOBSA-N 475.044 3.862 50 10 JHGE COC[C@@](C)(CCCl)NC(=O)c1cc(I)ccc1Br 2101794727 BSHHHCQUHFIUSF-CYBMUJFWSA-N 460.537 3.818 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)c1cccc(Br)c1Br 2112711430 SKCIPDGCVXMNFR-CYBMUJFWSA-N 455.972 3.838 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CCO1 2117532653 NPAPLJJWKQXRBE-UFBFGSQYSA-N 455.972 3.836 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC2(C1)OCCC[C@H]2Cl 2159653299 NRVNBVTWJBBDFG-GFCCVEGCSA-N 470.532 3.666 50 10 JHGE CC[C@@]1(CBr)COCCN1C(=O)c1ccc(I)c(Cl)c1 2169033650 PGJNALUWTJJGAZ-CQSZACIVSA-N 472.548 3.961 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2204090705 SZTHMVRDMXJEKZ-YESZJQIVSA-N 497.455 3.524 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](OCCCl)C1 2207270437 BFCKJTPIYVESRB-LLVKDONJSA-N 472.548 3.914 50 10 JHGE Cc1ccc(C(=O)N[C@@H](CBr)C[C@H]2CCCO2)cc1I 2232824106 VASOMBVAVDSFFQ-CHWSQXEVSA-N 452.130 3.662 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CCO[C@@]2(CBr)C1 2239903241 KUSCILAWYCUPRR-YGRLFVJLSA-N 467.983 3.838 50 10 JHGE COc1ccc(C=C(C#N)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 2297356219 QLZRHVIRPUGLDA-UHFFFAOYSA-N 489.450 3.639 50 10 JHGE COc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2313568462 SUGRDOQWHOWVPO-UHFFFAOYSA-N 460.284 3.940 50 10 JHGE C[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)[C@H](C)C[C@H]1Br 2338679092 IRDZWZMTMNGJHM-BWZBUEFSSA-N 457.992 3.579 50 10 JHGE C[C@@H]1[C@@H](Br)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1C 2344516591 CSZSLFSXBZSNPP-FCEWJHQRSA-N 485.444 3.667 50 10 JHGE COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 2231508 PQDNKOQKMGHOPQ-DEOSSOPVSA-N 473.529 3.643 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 13976262 IDITUAGVXRXHSJ-UHFFFAOYSA-N 491.194 3.779 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 33570920 RHBXVOBDDBAZEJ-BJMRFWQKSA-N 460.328 3.760 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38688122 NBRZXCFQOGIDRL-XZOQPEGZSA-N 471.425 3.558 50 10 JHGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccccc4[N+](=O)[O-])c3[N+](=O)[O-])c2n1 40626760 KDZNXGCCAWVRGB-UHFFFAOYSA-N 460.410 3.650 50 10 JHGE CCOc1cc2c(cc1/C=C(/C#N)C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)O[C@H](C)C2 206062730 LVMAEZMRMKHXIS-SDLDRHLBSA-N 458.518 3.752 50 10 JHGE N#CSc1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306603 KMSPZOUFPORTFK-UHFFFAOYSA-N 459.325 3.830 50 10 JHGE CCCCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 253380250 OXPZZLMOXWPMDE-MRXNPFEDSA-N 482.606 3.921 50 10 JHGE CCOc1cccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 254409702 QNCHLTTUODIJKQ-IRAPCCKFSA-N 472.545 3.778 50 10 JHGE CC(=O)N1CCc2cc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)ccc21 914463461 FVIZVLIQWCWWRT-STZFKDTASA-N 450.502 3.918 50 10 JHGE CC(=NNC(=O)c1ccccc1Br)c1ccc(S(=O)(=O)NCc2ccco2)cc1 916247588 LDVXKBSQHHCRRE-UHFFFAOYSA-N 476.352 3.675 50 10 JHGE C=CCc1cc(C(=O)NNC(=S)Nc2cc(OCC)ccc2OCC)cc(OC)c1OC 1455413656 QCVLJHQVJYMRTE-UHFFFAOYSA-N 459.568 3.861 50 10 JHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)cc1 1772745086 QKEOZJNFZGXTQP-UHFFFAOYSA-N 462.458 3.770 50 10 JHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)/C=C/c4ccc(Cl)cc4Cl)c(=O)c23)C1 1860769680 CXBQFRXIWSSKEA-RPTYSRGTSA-N 491.400 3.750 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2c(Br)cccc2Br)C1 1899871991 FAONURJAGRGVLK-KTLJEJPDSA-N 455.972 3.884 50 10 JHGE CCN(C[C@](C)(CI)OCCN1CCCCC1)C(=O)OC(C)(C)C 2007003830 OKYASUPGHDZOOH-SFHVURJKSA-N 454.393 3.940 50 10 JHGE O=C(c1csc(Br)c1Br)N1CC[C@H](OCCBr)C1 2046755921 CROWAWNXNHTODA-ZETCQYMHSA-N 462.001 3.899 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Cl)CCO1)c1ccc(I)c(Br)c1 2097944189 BNNVEWYLFOHITK-UWVGGRQHSA-N 458.521 3.570 50 10 JHGE CO[C@H]1C[C@H](Cl)CN(C(=O)c2cc(I)ccc2Br)C1 2109019774 BXUSSSDTRKQVRT-WPRPVWTQSA-N 458.521 3.522 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@H](Br)[C@H]1C2 2120661705 WDBATUKIPZSLKU-WHGOUJPWSA-N 474.012 3.758 50 10 JHGE CC1(CNC(=O)OC(C)(C)C)CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 2163050864 NUUCBLYDLCFVOZ-UHFFFAOYSA-N 461.422 3.897 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@@H](Br)CC12CCC2 2169891002 ZOFUFHXXFBQOKK-SNVBAGLBSA-N 450.114 3.919 50 10 JHGE CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2198079222 GRYIBRPKPXZWLK-KXBFYZLASA-N 459.406 3.649 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCC12CCC(Cl)CC2 2202251281 YBTPDIPLVRDXNU-UHFFFAOYSA-N 453.004 3.799 50 10 JHGE O=C(NC[C@@]12CCC[C@@]1(CBr)C2)c1cc(I)ccc1O 2208039058 IOXSNBRHYBPBMT-GJZGRUSLSA-N 450.114 3.682 50 10 JHGE CC(C)(C)OC(=O)NC1(c2csc(NS(=O)(=O)CCC(CCl)CCl)n2)CC1 2232527705 PFIBGWLDSXYQNZ-UHFFFAOYSA-N 458.433 3.883 50 10 JHGE C[C@H](C(=O)NN=Cc1ccc(Br)cc1F)n1cnc2sc3c(c2c1=O)CCCC3 2325903020 YWAQVBSIHNKMIE-LLVKDONJSA-N 477.359 3.950 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1 12490044 NIHJPVUVHDJPHY-UHFFFAOYSA-N 462.344 3.645 50 10 JHGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039718 SPPSCKHVLOTALU-UHFFFAOYSA-N 491.569 3.659 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(C)cc1 16739701 CAMDOVQGCZUETM-DTBMRADHSA-N 456.365 3.930 50 10 JHGE COc1ccccc1/C=C\C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 33915260 BSYNSJOAQDVPEF-QINSGFPZSA-N 488.569 3.605 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38683323 CNOUSGVZWJYPCZ-RUZDIDTESA-N 486.480 3.684 50 10 JHGE CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc(C3CCCCC3)cc2)c2ccccc21 59147534 SELBMAJNDMZDQP-IKPAITLHSA-N 490.604 3.849 50 10 JHGE COc1ccc(CNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(F)cc3)c3ccccc32)cc1 102673657 IXYUKMBZAWYSED-GHVJWSGMSA-N 454.461 3.576 50 10 JHGE N#C/C(=C/NC[C@@H]1COc2ccccc2O1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216506883 VQNPIEJSPFCNRW-OBWJIVDRSA-N 494.595 3.757 50 10 JHGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)CON=Cc3ccccc3)c3ccccc32)C1 254745098 LDQRMPQDMSHNNL-RBTNQOKQSA-N 487.604 3.762 50 10 JHGE O=C(c1cccc(F)c1I)N1CCC(F)(F)[C@@H](CBr)C1 721694506 ZMCRGKGTGJCCRX-QMMMGPOBSA-N 462.047 3.923 50 10 JHGE COc1cc(Br)c(CNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 727173327 UGTOVWHVEZZIHR-UHFFFAOYSA-N 464.360 3.908 50 10 JHGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cc(Br)ccc1O 1084057082 BGLIYWBDBSWBHC-UHFFFAOYSA-N 467.326 3.915 50 10 JHGE Nc1c([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cccc1[N+](=O)[O-] 1614633034 OXGMJWMKOHEWMN-HOCLYGCPSA-N 481.290 3.964 50 10 JHGE CO[C@H]1C[C@@](CCl)(NC(=O)c2ccc(I)c(Br)c2)C1 1899895051 FMMCSGXFWBTPMM-SWZMTVOYSA-N 458.521 3.570 50 10 JHGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1915085198 XJZVGGIOULWENN-SFHVURJKSA-N 493.423 3.678 50 10 JHGE O=C(NC[C@@H]1C[C@H](Cl)CCO1)c1cc(I)ccc1Br 2097937686 HNYRRIJDUSOSBB-SCZZXKLOSA-N 458.521 3.570 50 10 JHGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1cc(Br)cc(Br)c1 2111278940 DZEQZOYJXPGQJK-PELKAZGASA-N 455.972 3.741 50 10 JHGE F[C@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@@H]1CBr 2120610047 LGYAMHHIHMOPET-XPUUQOCRSA-N 453.015 3.874 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 2179811509 LJTQPVFBKRCMJO-PXNSSMCTSA-N 453.402 3.626 50 10 JHGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1cc(CBr)ccn1 2179817410 PJIJZXREOXAWED-SJORKVTESA-N 452.418 3.508 50 10 JHGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCCBr)cc1 2179860448 RSUGGWHONPXZBU-UHFFFAOYSA-N 455.418 3.603 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185292059 FPCURFWNSCRVQQ-YNEHKIRRSA-N 467.983 3.979 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(CCOCCI)C2)C1 2326640424 CSBZTSQEHRSSCC-DLBZAZTESA-N 466.404 3.797 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)[C@@H]1CC[C@H](CBr)C1)C2 2355845572 QHBZAUXPVOEVQR-JSXRDJHFSA-N 455.462 3.724 50 10 JHGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1 1082821 VYYKMZMDZANQIM-RIYZIHGNSA-N 475.295 3.865 50 10 JHGE CCOCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1 9425380 GPCTTYHVBJBFNE-KGENOOAVSA-N 452.507 3.511 50 10 JHGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)c(Br)c1 13977072 RPXABJGTYPAGIN-UHFFFAOYSA-N 478.412 3.770 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14025115 YOVOGQXIVPHIAE-UHFFFAOYSA-N 499.633 3.703 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 14030188 SAECSBBOLNYUOO-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)ccc1Br 14031647 ITRXLFBVMASLFI-OAHLLOKOSA-N 457.324 3.904 50 10 JHGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccccc1Cl 14643284 ZRSUYZNNOATCNR-CYBMUJFWSA-N 455.736 3.713 50 10 JHGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)cc1OC 40823401 OFAJPPMXMBBMTE-TURZUDJPSA-N 479.533 3.950 50 10 JHGE C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59878130 USBOZEDNADNDLI-OAHLLOKOSA-N 485.013 3.961 50 10 JHGE CCOc1ccccc1C=NNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 254836761 SDRCNGYWZGKDLB-UHFFFAOYSA-N 457.596 3.867 50 10 JHGE COC(=O)c1ccc(CN(C)C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 914608948 GNHGOOPCJDGOFG-PXLXIMEGSA-N 453.502 3.816 50 10 JHGE O=C(NNC(=O)c1c[nH]c2cc(Br)c(Br)cc12)c1ccccc1F 1087783046 GUEURTVZHGGZES-UHFFFAOYSA-N 455.081 3.907 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(Cl)cc(Br)c2)cc1 1670741257 ZWUOLSPBZCHABZ-NSHDSACASA-N 454.708 3.925 50 10 JHGE Cc1ccc(SCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851449 BXVAPGKKIQTKOB-INIZCTEOSA-N 484.647 3.926 50 10 JHGE COCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2ccccc2)cc1 1866213788 COVAHQGPPZBLHH-GRVBVBMHSA-N 490.581 3.950 50 10 JHGE CC[C@](C)(NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1867223789 XRUXLCLPQIZPQF-VWLOTQADSA-N 481.622 3.557 50 10 JHGE COC[C@@](C)(CBr)CNC(=O)c1ccc(Br)cc1Br 1927000537 QWKWJDMRGZXNOJ-ZDUSSCGKSA-N 457.988 3.989 50 10 JHGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)c2ccc(CCl)cc2)C1 2044693475 LMGHZTFKVHMJEF-UHFFFAOYSA-N 481.014 3.598 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CC(n3ccnc3)C2)C1 2063778609 ASQCSEKYOSHOAE-JMLCCBQJSA-N 461.344 3.808 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 2076257910 QIWMZFXIXKJYBB-XCBNKYQSSA-N 462.001 3.616 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@H]2CBr)cc1Br 2117657820 QSSRWJZRTOMRCV-DTWKUNHWSA-N 476.028 3.829 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146694343 QPEQRTCMNXKFCI-ZWKOPEQDSA-N 470.532 3.712 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(CBr)cc2)C1 2163050011 FZYBSRRPWFIBDZ-NVXWUHKLSA-N 459.406 3.602 50 10 JHGE COc1ccc([C@H](Cl)c2cnn(C)c2I)cc1I 2257358558 RHPDIVSWBVGMMB-NSHDSACASA-N 488.494 3.966 50 10 JHGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2C)C(=O)N1c1ccc(Br)cc1 2293038736 WUFRRPVCCWCCEF-SFHVURJKSA-N 456.365 3.930 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)CC1(C)C 2325587770 IBAOPTOHJMJFFY-NRFANRHFSA-N 493.692 3.582 50 10 JHGE C[C@H]1[C@H](C)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2344516593 CSZSLFSXBZSNPP-TXPKVOOTSA-N 485.444 3.667 50 10 JHGE CC(C)[C@@H](Br)C(C)(C)CN(C)C(=O)c1cnn(C)c1I 2365889391 VXSFFTKNQWZBMZ-LLVKDONJSA-N 456.166 3.542 50 10 JHGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2c1ncnc(O)c1I 2366970342 BTKVFJNRFPRVGN-OFLUOSHYSA-N 452.134 3.708 50 10 JHGE COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)CNc2ccccc2C)cc(OC)c1OC 3143857 SPRLMTUJLIXPHO-RWPZCVJISA-N 477.517 3.802 50 10 JHGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 9695903 FNGGHJXKUAQZNO-UHFFFAOYSA-N 455.308 3.965 50 10 JHGE CCOc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13620753 SHJCWVKCTGCIKM-BJMVGYQFSA-N 453.720 3.741 50 10 JHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c1ccccc1Cl 13981370 OLKFHYOIVFCZCX-MDZDMXLPSA-N 479.389 3.756 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1OC 14028048 MXEUKUOJHIRBCS-OQLLNIDSSA-N 491.569 3.632 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1OC 38649977 UEXVOEJXPUYGES-RUZDIDTESA-N 458.470 3.906 50 10 JHGE COc1ccccc1OCC(=O)N/N=C1/C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc21 102646816 AVZPCFIGNUGHRM-WBECMCTDSA-N 490.604 3.799 50 10 JHGE C=CCn1c(SCC(=O)NN=Cc2cccnc2)nnc1-c1cccc(Br)c1 254293973 QPWIIYOKSPBBFX-UHFFFAOYSA-N 457.357 3.531 50 10 JHGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2cccs2)c(OC)c1 254304128 UHEDHRZVCYVIMB-UHFFFAOYSA-N 454.504 3.904 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3OC)cc2OC)cc1 254814667 PYJSZOCDYBRUQT-UHFFFAOYSA-N 478.501 3.851 50 10 JHGE CC(C)(CNC(=O)c1cc(Br)ccc1I)OCCCl 311913123 HSRJHDPGNLUNMS-UHFFFAOYSA-N 460.537 3.818 50 10 JHGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H](CCl)O1 721573732 RQBDIFDWFQSGPB-SNVBAGLBSA-N 472.548 3.912 50 10 JHGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=S)Nc1ccc(OC)c(F)c1)O[C@@H](C)C2 730596205 IFGDWUGFHNDQCX-YLQAJVPDSA-N 459.543 3.678 50 10 JHGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1 1083973120 WSVCQYDPRQDMAG-FQEVSTJZSA-N 482.606 3.716 50 10 JHGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 1083989181 MARXSHXMGRNYCK-UHFFFAOYSA-N 488.544 3.925 50 10 JHGE CC(C)=C1[C@H]2C=C[C@H]1[C@H](C(=O)NNC(=O)CSCc1c(Cl)cccc1Cl)[C@H]2C(=O)O 1088732987 BEHPXVOMGOARCJ-WPZAJUNFSA-N 469.390 3.843 50 10 JHGE C=CC[C@H](C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1 1135582170 TUSVSYURWPYWOO-NRFANRHFSA-N 452.514 3.566 50 10 JHGE O=C(COc1ccc(Br)cc1)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 1772752427 LBGLVNSANZXWSC-UHFFFAOYSA-N 464.319 3.895 50 10 JHGE O=C(Cc1ccc(Cl)c(Cl)c1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1865851898 JPQYJFBNEBYUKG-UHFFFAOYSA-N 487.368 3.822 50 10 JHGE COCCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2ccccc2)cc1 1866213789 COVAHQGPPZBLHH-JNCGISBCSA-N 490.581 3.950 50 10 JHGE Cc1cc(Br)c(C(=O)NCCOCCCI)cc1Cl 2104023243 APZZIEHMMGMFAF-UHFFFAOYSA-N 460.537 3.982 50 10 JHGE O=S(=O)(NC[C@@H](Br)CBr)c1ccc(Cl)cc1C(F)(F)F 2172983729 PYLKWQBRQFOGCJ-LURJTMIESA-N 459.509 3.796 50 10 JHGE Clc1ccc(I)c(CN2C[C@H]3COC[C@@]3(CBr)C2)c1 2226182760 QQNMJCDGOPVFFK-SMDDNHRTSA-N 456.549 3.788 50 10 JHGE CO[C@H]1[C@@H](CBr)N(Cc2c(Br)cccc2Br)C[C@H]1OC 2233358043 ZICHPBWKTHVZPZ-MCIONIFRSA-N 472.015 3.821 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CCl)C[C@H]2CCCC[C@H]21 2240732528 GMCBXUATIMMGCU-FUHIMQAGSA-N 453.004 3.655 50 10 JHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)cc(O)c(C)c2O)cc1OC 2297624359 CYCLSAOZOJMGBY-UHFFFAOYSA-N 489.528 3.653 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1CCOCCI 2306802022 LKNCZJQAKUQTCK-JKSUJKDBSA-N 452.377 3.692 50 10 JHGE CCCCCCOc1ccc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 2314620931 WKFNEHMXGPYOJJ-UHFFFAOYSA-N 498.576 3.826 50 10 JHGE CCCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 2325890560 CBMXDHUKBUCUNL-UHFFFAOYSA-N 488.569 3.775 50 10 JHGE CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(F)cc3)sc2c1 2329641196 JGAWCPMXBKARMR-UHFFFAOYSA-N 458.540 3.915 50 10 JHGE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc(C(C)=CC#N)c1C 2331562181 PBWQINFHVLIBRH-HNNXBMFYSA-N 453.520 3.770 50 10 JHGE CO[C@@H]1CN(Cc2ccc(Cl)c(I)c2)[C@@H](CBr)[C@H]1OC 2362368356 MLIPVPQWKICVML-BFHYXJOUSA-N 474.564 3.554 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@](F)(C(F)F)C1 2362833597 BVEYVMKXRWCNBN-SNVBAGLBSA-N 457.131 3.773 50 10 JHGE COC[C@@]1(CCl)C=CCN1C(=O)c1cc(I)ccc1Br 2379831737 YPEMOHOHUXVIDZ-AWEZNQCLSA-N 470.532 3.690 50 10 JHGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 10042073 BSYNSJOAQDVPEF-NTCAYCPXSA-N 488.569 3.605 50 10 JHGE Cc1ccc(CNC(=O)CCC(=O)NNc2nc3ccccc3c3nc(-c4ccccc4)nn23)cc1 20286964 ZMPRVAVPWFWKLZ-UHFFFAOYSA-N 479.544 3.793 50 10 JHGE CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)Cn3c(S)nnc3-c3cccs3)cc2C1 21969393 ORFIMDDALONRDZ-ZDUSSCGKSA-N 475.665 3.969 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814769 UUBSLSAAFPBZRJ-JJIBRWJFSA-N 451.439 3.625 50 10 JHGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 206984758 AQVDENUXXXPBCU-SDXDJHTJSA-N 463.519 3.612 50 10 JHGE O=C(NN=Cc1ccc(O[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1)c1ccncc1 254405946 ZWKCSNUQAWFDRL-LJQANCHMSA-N 481.723 3.944 50 10 JHGE COc1cc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 254498212 PMGOMWLLISGIKW-IZHRWYCVSA-N 497.636 3.766 50 10 JHGE CO[C@]1(CBr)CCN(c2ncc(C(F)(F)F)cc2I)C1 686108595 ISUVWBSJKWXSAT-NSHDSACASA-N 465.051 3.695 50 10 JHGE O=C(CCC(=O)Nc1ccc(F)cc1)NN=Cc1cc(Br)c(O)c(Br)c1 1083972556 RUNQDQQFIUOREM-UHFFFAOYSA-N 487.123 3.925 50 10 JHGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)c1cc(Br)ccc1O 1160901972 ONVJYZQCODCJBH-UHFFFAOYSA-N 459.218 3.813 50 10 JHGE O=S(=O)(NC[C@H](Br)CBr)c1ccc(Br)cc1Cl 1184825133 XBUBYHAJXAKFDK-SSDOTTSWSA-N 470.408 3.539 50 10 JHGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(OC)c1O 1865697256 YQPHMTXDLOSPSC-LLVKDONJSA-N 459.222 3.617 50 10 JHGE C[C@H](Br)[C@H]1C[C@H]1NC(=O)c1ccc(Br)cc1I 2026219719 XTAGXZDBIKIPHO-PTHKFVFGSA-N 472.946 3.955 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1ccc(Br)cc1I 2026220927 IHTUPJOOKUDJLB-XVKPBYJWSA-N 472.946 3.909 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CC(n3ccnc3)C2)CC1 2063781219 VOBKPRZLLFTJMA-UHFFFAOYSA-N 461.344 3.808 50 10 JHGE C[C@@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@H](CBr)O1 2094088864 PUFMZTAVTOAKJC-RKDXNWHRSA-N 455.972 3.836 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2ccc(I)c(Cl)c2)C1 2109024054 MPMDYMUEAJDIRK-ZJUUUORDSA-N 458.521 3.569 50 10 JHGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2162586946 OFRPQTVTGIGYCW-CYBMUJFWSA-N 469.348 3.505 50 10 JHGE CC1(C)CO[C@@H](CCl)CN1C(=O)c1cc(Br)ccc1I 2167526782 KZYAJRNHLJRCMN-JTQLQIEISA-N 472.548 3.912 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2179825245 FIQRBHNPUVCLOZ-BURNTYAHSA-N 455.462 3.866 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](CCl)OCC12CC2 2183979772 OLLNGFQVNUHAMC-JTQLQIEISA-N 470.532 3.666 50 10 JHGE COc1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2294168492 NXKGPYMSAUWFCJ-KRWDZBQOSA-N 468.422 3.506 50 10 JHGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 2296722576 STBOPYCXZSRNKY-INIZCTEOSA-N 485.327 3.996 50 10 JHGE CC(=O)N(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccc(N)c1 2324606011 JZDYRIAFPOWHRA-UHFFFAOYSA-N 479.584 3.963 50 10 JHGE COCCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1cc(Br)cc(I)c1 2338888132 ZKXAMYSCYUCBOI-YNEHKIRRSA-N 461.521 3.844 50 10 JHGE O=S(=O)(c1cscc1Br)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361447904 DHZZOHLKPWEORM-MUWHJKNJSA-N 457.131 3.990 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@]2(CCC[C@@H]2Cl)C1 2364216497 OMZWFINVKXOPOU-SIKLNZKXSA-N 453.004 3.656 50 10 JHGE CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)cc1 6093345 GGDYNGQLHSQWEO-JVWAILMASA-N 491.529 3.700 50 10 JHGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 10295863 LZUJRENVIDKLPA-MRXNPFEDSA-N 470.595 3.798 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 12500803 XDITXAJDGZGBIS-UHFFFAOYSA-N 472.364 3.625 50 10 JHGE C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14037959 ZANZTAVORXKMJO-GFCCVEGCSA-N 456.282 3.676 50 10 JHGE COc1cc(/C=N/NC(=O)Cn2nnc3ccccc32)ccc1OCc1c(F)cccc1Cl 20228622 QJKSHUDCTPUUDL-RPPGKUMJSA-N 467.888 3.962 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38650336 LEOMVGQPRUXAHN-DEOSSOPVSA-N 473.441 3.806 50 10 JHGE Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823191 BLKRCDRMHMZGJF-PNQUVVCRSA-N 494.367 3.903 50 10 JHGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OC 40890443 FSHWLWDFUMWMMG-PRHRNWNNSA-N 494.544 3.781 50 10 JHGE C=CCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccc(OCC)c(OC)c3)cc2oc1=O 40894326 WJIZTONJEIOMSE-WOJGMQOQSA-N 474.469 3.629 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)ccc2OCC#N)cc1 58895621 SAIMRJISBGMPNZ-OEBVFIGYSA-N 460.328 3.714 50 10 JHGE Cc1cc2ncn(CC(=O)N/N=C3\C(=O)N(CCOc4ccccc4)c4ccccc43)c2cc1C 59167527 ACCOTXHIQICYES-BXVZCJGGSA-N 467.529 3.599 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1 103746578 SCVLYPDSFQLPLA-CYVLTUHYSA-N 450.491 3.678 50 10 JHGE C[C@@H](Br)[C@@](Br)(CBr)C(=O)Oc1ccc([N+](=O)[O-])cc1 205782539 BZDKPBYUSSCYRI-HQJQHLMTSA-N 459.916 3.812 50 10 JHGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 254494848 PNFQHMADEGJEDT-FWQFFXTRSA-N 457.486 3.793 50 10 JHGE C[C@@H]1CCCCN1C(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782091270 FEVPQSPTLMGFLE-HNMKQIAWSA-N 465.941 3.968 50 10 JHGE C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 1086836830 BHTHBTRZZDYZTI-WSACYYNKSA-N 453.352 3.864 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1OC 1087354906 QWUIVGHTHLPABM-ZNAOMFPMSA-N 465.388 3.979 50 10 JHGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(F)cc3)c(C)c21 1772743805 LEBLSEHUZDWAND-UHFFFAOYSA-N 462.481 3.581 50 10 JHGE COC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772744006 OETKNKHCELFETQ-LBPRGKRZSA-N 462.344 3.586 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCCSc4ccccc4)c(=O)c23)C1 1865851922 KMPXQMFHQXQBOZ-JKSUJKDBSA-N 484.647 3.864 50 10 JHGE O=C(NCc1nnc(CBr)s1)c1cccc(Br)c1Br 1877542634 IUAMBCQYYKAYCH-UHFFFAOYSA-N 469.984 3.888 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CC[C@H](I)C1 1994509842 WODZZNXPACPRMK-ZETCQYMHSA-N 458.919 3.861 50 10 JHGE CCOC(=O)[C@@H]1[C@H](C(=O)N/N=C/c2c[nH]c3ccccc23)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 2059954584 DWIBABBXSRBGGR-KFJDENNASA-N 486.450 3.701 50 10 JHGE C[C@H](Br)[C@H]1C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Br 2061894229 WHOTYKBRDSZUFP-IONOHQLYSA-N 462.001 3.662 50 10 JHGE O=C(NCCCOCCBr)c1ccc(Br)cc1I 2086146689 DAKFFTVQTZUEKU-UHFFFAOYSA-N 490.961 3.585 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 2106989204 QSQLPJJPXMAIPX-PRLABOORSA-N 456.324 3.569 50 10 JHGE CN([C@H]1CCCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(CBr)cc1 2163052609 FVRNCAKVJIKVRL-INIZCTEOSA-N 461.422 3.992 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179818829 DSVZRLFGOQSIIJ-ZWKOTPCHSA-N 469.470 3.828 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179867477 WMVITNFADLZBEG-UHFFFAOYSA-N 452.418 3.586 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCO[C@@H]2C[C@H](Cl)C[C@H]21 2185324487 FNLDDJNJQGGUAI-OASPWFOLSA-N 470.532 3.665 50 10 JHGE CC1(C)OCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H]1CBr 2282894001 MXPUIVIQYJNXGC-MRVPVSSYSA-N 467.632 3.727 50 10 JHGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1 2294217803 ZBAIQMORWLRUPF-UHFFFAOYSA-N 475.480 3.721 50 10 JHGE COCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 2296720865 HSUXNJLQMHJDSC-UHFFFAOYSA-N 473.316 3.772 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NCCCCCCI 2316832174 HJXHSANGQDFGTM-UHFFFAOYSA-N 492.981 3.670 50 10 JHGE CCCOc1ccccc1C=CC(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 2318792738 VEEDLCILZJNPSW-UHFFFAOYSA-N 488.569 3.775 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1Cc1ccc(Cl)c(I)c1 2337219253 QXMYEOQTPJPYDX-RYUDHWBXSA-N 457.581 3.844 50 10 JHGE CN(C)C[C@H]1C[C@@H](Cl)CN1Cc1ccc(I)c(Br)c1 2349862867 RKVLHYLXZRYHBI-VXGBXAGGSA-N 457.581 3.797 50 10 JHGE COCCN1C[C@H](Cc2cc(I)ccc2Cl)[C@@H](Br)C1 2352432705 WUWRUSBWGDHQRK-AAEUAGOBSA-N 458.565 3.829 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 14031262 KOYSIDAVRGUHSD-GFCCVEGCSA-N 470.378 3.885 50 10 JHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645982 HCWYSXTXMOBNDD-UHFFFAOYSA-N 494.411 3.832 50 10 JHGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCC 14655813 YJYYHUXWHWJEBB-UHFFFAOYSA-N 480.384 3.586 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38683305 ZTYGVBVRPJZSSQ-DEOSSOPVSA-N 474.444 3.815 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 40870041 LFRCEWSIUBRCJU-KGENOOAVSA-N 472.497 3.912 50 10 JHGE O=C(NNC(=O)c1cccc(I)c1)c1ccc(NC(=O)c2ccccc2)cc1 100449587 LPOAXPHRSWSJBI-UHFFFAOYSA-N 485.281 3.618 50 10 JHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594813 MIRAXPHVAFQKNS-ZXVVBBHZSA-N 494.935 3.552 50 10 JHGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO 196223509 JGELYOCTJSVMRL-KZNAEPCWSA-N 469.618 3.749 50 10 JHGE CC(CBr)(CBr)NC(=O)c1ccc(F)cc1I 232762660 HYIVNWVXWMYZOR-UHFFFAOYSA-N 478.925 3.709 50 10 JHGE C=CCOc1c(I)cc(C=NNC(=O)c2ccc(OC)cc2)cc1OC 252606822 GVUIMEKQTBNHHZ-UHFFFAOYSA-N 466.275 3.637 50 10 JHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)cc3)cc2)cc1 254308386 GPPYRGZJAPSDDG-UHFFFAOYSA-N 489.528 3.583 50 10 JHGE O=C(NN=Cc1c(Nc2cccc(C(F)(F)F)c2)nc2ccccn2c1=O)c1ccncc1 254792552 SRERETHADSYPBV-UHFFFAOYSA-N 452.396 3.616 50 10 JHGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(OC(=O)N2CCOCC2)cc1)c1cccs1 254838381 FXSABHXLVGDOPE-UHFFFAOYSA-N 478.530 3.595 50 10 JHGE COc1c(OC(C)=O)ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-] 254843918 CUNQGXWVURJKFX-UHFFFAOYSA-N 463.446 3.725 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 387794021 NVDWQTNVMNMXIV-XCBNKYQSSA-N 462.001 3.616 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC(=O)OC 725441472 AONFIAHEVOVMDS-HSZRJFAPSA-N 498.576 3.728 50 10 JHGE C=CCn1c(SCC(=O)NNc2cc(Cl)nc(C)n2)nnc1-c1ccc(Cl)cc1 1451683128 ACZWGPKTBKXDSP-UHFFFAOYSA-N 450.355 3.772 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)c1 1558199162 ATBIDUJKBDCJPP-UHFFFAOYSA-N 454.559 3.709 50 10 JHGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(Cl)c3)sc2c1 1866131082 XHUZJNVWLIUFIZ-NTEUORMPSA-N 458.952 3.960 50 10 JHGE COC(=O)c1sc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c(C(=O)OC)c1C 1866131766 MLDZLYBRGKUXHH-KPKJPENVSA-N 463.309 3.938 50 10 JHGE F[C@@H]1CN(c2ncc(I)cc2Br)C[C@@H]1CBr 1988534876 QAKPNUOUQHJMOL-IMTBSYHQSA-N 463.914 3.618 50 10 JHGE COc1ccc(C(=O)COC(=C(C#N)c2nnc3n2CCCCC3)C(F)(F)F)cc1OC 2040465692 CFUTTYXLYHAMIZ-UHFFFAOYSA-N 450.417 3.718 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)ccc1O 2061268382 SDTXMLBFJFDWFQ-UHFFFAOYSA-N 451.408 3.791 50 10 JHGE COC1(CBr)CCN(c2ncc(I)cc2Br)CC1 2069527661 CYGOSAWDXFNVLG-UHFFFAOYSA-N 489.977 3.829 50 10 JHGE Cc1cc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)sc1CBr 2123242718 ZZAOOTDYPVXCMM-IAGOWNOFSA-N 455.443 3.704 50 10 JHGE CN([C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)c1ccc(CBr)cc1 2163055750 KSUCJLNLVVLFGZ-ZDUSSCGKSA-N 475.327 3.658 50 10 JHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(CCCCl)c1 2164500513 GFWBAOYPDYBJMW-NRFANRHFSA-N 452.935 3.624 50 10 JHGE BrC[C@@H]1CC[C@H]2CN(c3ncc(Br)cc3Br)C[C@@H]2O1 2273542420 WKYOYFUWPJVCIM-PEXQALLHSA-N 454.988 3.985 50 10 JHGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cncc(CBr)c1 2283110505 VOMUJVDKCHIQFU-UHFFFAOYSA-N 452.418 3.652 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)c(Br)c1 2313620999 FUNQIIMGFYXLKF-UHFFFAOYSA-N 496.814 3.779 50 10 JHGE O=C(NCCOCCCI)c1ccc(Cl)cc1I 2317775460 WVPRAYYVIFPHBU-UHFFFAOYSA-N 493.510 3.516 50 10 JHGE C=CC[C@@](C)(CBr)CNC(=O)c1c(Br)c(Br)nn1C 2338681736 YTUAHBWMZFAQTD-LBPRGKRZSA-N 457.992 3.652 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC(CCBr)CC1 2338864146 SXGQBLBPEDFTFQ-UHFFFAOYSA-N 457.992 3.582 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1 12503318 XXCHHHFORFIQHO-UHFFFAOYSA-N 472.364 3.625 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12570252 CYGLECZLTVLCGZ-UHFFFAOYSA-N 470.378 3.562 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc(C)c1Cl 13980156 JQPXIFGQMHWARL-UHFFFAOYSA-N 452.338 3.864 50 10 JHGE Cn1cc(C(=O)NNC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c2ccccc21 26938531 UILWJZMMAVVYQC-JOCHJYFZSA-N 471.517 3.531 50 10 JHGE N#C/C(=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 33580866 GOGUNNOXLIRGNX-MNDPQUGUSA-N 454.461 3.892 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)c1 35079599 WOSQYHWHACHYAT-UEXNTNOUSA-N 488.496 3.692 50 10 JHGE COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1C 211147218 BJAFWGXCFRKPJY-SYVPYPDPSA-N 454.615 3.907 50 10 JHGE CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)NN=Cc1cc(Br)c(Br)o1 252612249 IQUBPWSWYDWIQQ-CQSZACIVSA-N 491.205 3.700 50 10 JHGE COc1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(OC)c1 254349463 PYUMGXOQBRKDNG-GWRZGQJUSA-N 472.545 3.691 50 10 JHGE CCn1c(SCC(=O)NN=C(C)c2ccc(OC(C)=O)cc2)nnc1-c1ccc(C)cc1 254567332 RYXKBQJXESKRLJ-UHFFFAOYSA-N 451.552 3.831 50 10 JHGE C=CCOc1ccc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC 254858249 KQCJWPSVKBAIEU-UHFFFAOYSA-N 479.558 3.849 50 10 JHGE O=C(OCc1ccccc1)N1CC[C@H](I)[C@@H](CI)C1 307657419 RNGYEQYHVSYRLO-STQMWFEESA-N 485.103 3.884 50 10 JHGE CC(C)N(CCOCCBr)S(=O)(=O)c1cc(Cl)c(Br)s1 379962267 GKSBGKDFWDHJJG-UHFFFAOYSA-N 469.648 3.975 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)[C@H](C)Sc2ccccn2)cc1 1084299027 RZZYZWUPGZPVTK-KRWDZBQOSA-N 455.561 3.789 50 10 JHGE C=CC[C@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccncc1 1312021596 NMIHRXCNTIZTIF-DQEYMECFSA-N 455.562 3.656 50 10 JHGE C=CC[C@]1(C(=O)NNC(=O)c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1347893616 XJWAUFHDDOWMEN-HXUWFJFHSA-N 452.349 3.556 50 10 JHGE C[C@@H](C(=O)Nc1cc(C(=O)Nc2ccc(SC#N)cc2)ccn1)N1C(=O)c2ccccc2C1=O 1860512990 BIWVANQMAIZHRD-AWEZNQCLSA-N 471.498 3.530 50 10 JHGE CCc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1865851476 CKHNLWSTUZEZCF-UHFFFAOYSA-N 490.585 3.694 50 10 JHGE CCc1ccc(OCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852265 QMSUAEHTJDZXIY-SJORKVTESA-N 496.633 3.713 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H](F)[C@H](CBr)C1 2056989241 IPYGFAKSLJLBQS-RDDDGLTNSA-N 490.936 3.859 50 10 JHGE O=C(Cl)c1ccc(I)c(OC(F)F)c1I 2060174675 NLCBXOMTEOGMKG-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE CCN1CCC[C@@H]([C@H](Br)c2ccc(I)cc2)S1(=O)=O 2089536890 VNDKDSOQUYSZGY-QWHCGFSZSA-N 458.159 3.541 50 10 JHGE C[C@H](Br)CN1CCN(C(=O)c2cc(Br)c(Br)s2)CC1 2113853497 GMMLPOBZALFYJF-QMMMGPOBSA-N 475.044 3.814 50 10 JHGE CN(C(=O)c1cc(I)ccc1F)[C@@H](CCBr)C(F)F 2122002078 DMXPXNFPDBMXEJ-JTQLQIEISA-N 450.036 3.921 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CC2(C1)OCCC[C@H]2Br 2159661840 OMXBDADPVLXZLD-GFCCVEGCSA-N 467.983 3.980 50 10 JHGE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162602403 OKVBMQRCHNKCFG-WBVHZDCISA-N 461.422 3.895 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@]2(CCl)CCCC[C@@H]12 2165234779 OEPROYCMWKENSS-KNQAVFIVSA-N 453.004 3.656 50 10 JHGE COC1CC(CBr)(NC(=O)c2ccc(Cl)c(I)c2)C1 2268352226 YWYYSWKYBAHRQS-UHFFFAOYSA-N 458.521 3.617 50 10 JHGE COC[C@](C)(CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295309309 HUUBZETZZITKGM-CQSZACIVSA-N 472.015 3.918 50 10 JHGE Brc1cc(CN2CCOC[C@H](Br)C2)ccc1I 2306222142 QLGHYZDTYAFBIT-SNVBAGLBSA-N 474.962 3.649 50 10 JHGE CCCOc1c(OC)cc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OC 2328825060 NYEKYRAFIZBPLC-INIZCTEOSA-N 469.604 3.589 50 10 JHGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1c(Br)c(Br)nn1C 2364019700 VWURJXJURYPMGE-DWHFKYGWSA-N 470.003 3.866 50 10 JHGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1nn(C)nc1Br 2369011024 HFEGOZYSPNLWHF-ZCFIWIBFSA-N 466.508 3.821 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370251164 NTLLYJHMRLNEJF-CBAPKCEASA-N 457.131 3.990 50 10 JHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](CC)Oc2ccccc2[C@H](C)CC)cc1 10683851 AADNDERISGBXQP-UTKZUKDTSA-N 456.539 3.761 50 10 JHGE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)NNC(=O)c3cc(OC)cc(OC)c3)C2=O)cc1 20288056 FIQNPVQBJZOASQ-JJIBRWJFSA-N 486.528 3.672 50 10 JHGE CN(C)c1ccc(/C=N\NC(=O)c2nnsc2NC(=O)Nc2ccc(Br)cc2)cc1 33337841 DEISBDRQCPECPK-NHDPSOOVSA-N 488.371 3.775 50 10 JHGE O=C(NNc1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40657078 YCYVYFPBOIDFSC-UHFFFAOYSA-N 478.252 3.969 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2cccs2)nnc1-c1ccccc1Br 58989911 JWNFZXZQHTXXDP-RGVLZGJSSA-N 465.402 3.506 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(c2ncc(C(F)(F)F)cc2I)C1 686111361 MKFIEPYGWCNWGR-IUCAKERBSA-N 465.051 3.694 50 10 JHGE COc1ccc(SCC(=O)NN=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 1084149893 GMCFRJOFVINQRS-UHFFFAOYSA-N 481.530 3.742 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 1084165525 IJCSUFJRPMFWMP-UHFFFAOYSA-N 494.617 3.887 50 10 JHGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 1084651811 OLTZSCGPRUDBQL-UHFFFAOYSA-N 460.534 3.976 50 10 JHGE COc1ccc(CNC(=O)NNC(=O)c2ccc(Br)cc2)cc1OC1CCCC1 1251614593 GNSDJNXKKISVSS-UHFFFAOYSA-N 462.344 3.923 50 10 JHGE CCOC(=O)Cc1c(OC(F)(F)F)cnc(CBr)c1I 1848387758 SRFGBCACYINJGH-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860772469 ZLXQQOOXGXKEJU-CJTWTEFWSA-N 480.590 3.547 50 10 JHGE CSCC[C@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867161869 GOKXOLIKCUHXPJ-KRWDZBQOSA-N 452.565 3.535 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1877420116 RKLQUCHRLNINGT-BZSNNMDCSA-N 455.393 3.728 50 10 JHGE O=C(C=Cc1cccs1)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 2040436208 IKNBZAOQXIBABC-UHFFFAOYSA-N 474.630 3.706 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCO[C@@H](CCCl)C1 2116239548 UUSIRMQPUIWJJS-JTQLQIEISA-N 458.521 3.524 50 10 JHGE CN(C(=O)c1ccc(F)cc1I)[C@H](CCBr)C(F)F 2121995518 NOZKUYXRWJPIPH-SNVBAGLBSA-N 450.036 3.921 50 10 JHGE O=S(=O)(C[C@@H](Cl)c1ccc(Br)cc1I)N1CCCC1 2142285427 PLRRWIFGWTXUQE-LLVKDONJSA-N 478.577 3.759 50 10 JHGE C[C@@H]1[C@@H](C(F)(F)F)N(C(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2172602955 AFFJTBJYXPBHCN-YPMHNXCESA-N 458.319 3.838 50 10 JHGE CC(C)[C@H](C(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1)N1C(=O)c2ccccc2C1=O 2314760723 ZTCSVQDXJTWLEQ-XMMPIXPASA-N 497.507 3.729 50 10 JHGE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325071934 XVZIMTSJCGNHRW-YCRPNKLZSA-N 493.692 3.582 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1(C)C 2325401186 RHFYOGYJAWLIAG-NRFANRHFSA-N 493.692 3.725 50 10 JHGE COc1ccc2c(c1)c(C=NNC(=O)[C@H](C)n1cnc3sc4c(c3c1=O)CC[C@@H](C)C4)cn2C 2325903470 WWICOHUYYSLPQC-CABCVRRESA-N 477.590 3.794 50 10 JHGE CC1(C)CN(C(=O)c2ccc(Cl)cc2I)C[C@@H](CBr)O1 2365584014 JYKITJVTDKGEHL-SNVBAGLBSA-N 472.548 3.959 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)cc1 10460401 GLCQDHSLQSPSEX-UHFFFAOYSA-N 460.987 3.593 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc(C)c1Cl 10505786 XNTDTHCQZUFOLA-UHFFFAOYSA-N 460.770 3.978 50 10 JHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2C)cc1 14649114 SVCMOOKORYQEQB-UHFFFAOYSA-N 457.596 3.977 50 10 JHGE Cc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])nc1 40659550 PRGKJRNAFJFSAF-UHFFFAOYSA-N 464.269 3.661 50 10 JHGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCOCC5)c(C)c43)coc2c1C 40826683 BFULQRJECQBDFR-NHFJDJAPSA-N 463.534 3.823 50 10 JHGE CC(C)(C)OC(=O)N1CCC(N/C=C(/C#N)C(=O)N2CCC(Cc3ccccc3)CC2)CC1 216893374 ZYHSZFDUHMWYRY-QOCHGBHMSA-N 452.599 3.864 50 10 JHGE O=S(=O)(CCCl)Nc1c(Br)cc(Br)cc1Br 232295365 YAUDVEMRJSBLRM-UHFFFAOYSA-N 456.381 3.955 50 10 JHGE CCOc1ccc(C=NNC(=O)Cc2ccccc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254820890 JFIYMWUJDRHBLG-RPWUZVMVSA-N 484.600 3.559 50 10 JHGE C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 726282095 IFZINOOSEICDGH-SFHVURJKSA-N 465.598 3.946 50 10 JHGE CCCCC(C)=NNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 1084418295 DOYIFEYIFPGZIJ-UHFFFAOYSA-N 477.583 3.590 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743493 CZHUXUOTQYHRDO-UHFFFAOYSA-N 468.897 3.688 50 10 JHGE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc(C(=O)OC(C)C)c1C 1860748057 JTUYZEYDZDBCCT-UHFFFAOYSA-N 475.548 3.949 50 10 JHGE CCN1C(=O)COc2ccc(/C(C)=N\NC(=O)c3ccc(-c4ccc(OC)cc4)nc3C)cc21 1865762964 MMFYDSXPVBMLFG-NTFVMDSBSA-N 458.518 3.965 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2ccc(I)c(Br)c2)[C@H]1Cl 1911076529 WETOZDAIUSCZBT-GHMZBOCLSA-N 458.521 3.568 50 10 JHGE F[C@@]1(CBr)CCN(c2ncc(I)cc2Br)C1 1988537874 JXKCMJKEZWIPFD-SNVBAGLBSA-N 463.914 3.762 50 10 JHGE O=C(N[C@H]1C[C@H](CBr)C1)c1ccc(Br)cc1I 2026218828 SRMVRJKYIYFNQW-XWEPSHTISA-N 472.946 3.957 50 10 JHGE O=C(NCC[C@H]1COC[C@@H]1Br)c1scc(Br)c1Br 2048665605 LWZHSLPUEAXTBI-BQBZGAKWSA-N 462.001 3.803 50 10 JHGE CCOc1cc(C(=O)CCl)cc(I)c1I 2060133522 CSLGTGVBBGXIKO-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE O=S(=O)(c1csc(CBr)c1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2123243334 IJOSCZXVSRUQSH-IRXDYDNUSA-N 455.443 3.786 50 10 JHGE O=S(=O)(NCCc1cccc(OCc2ccccc2)c1)N1CCC(Br)CC1 2162210706 WLJWVULVTMFXNU-UHFFFAOYSA-N 453.402 3.502 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H](CCCl)O1 2207261344 KXMPSHXUMXJNAT-KOLCDFICSA-N 472.548 3.912 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCS[C@H](CBr)C1 2256384277 CZZDBNGRYPAAMZ-SECBINFHSA-N 460.562 3.897 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)Cc1cc(Br)cc(Br)c1 2277950208 URARNOCTGYIROH-XQHKEYJVSA-N 473.024 3.808 50 10 JHGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O 2296611286 IEADANHQDPIVLP-UHFFFAOYSA-N 466.925 3.898 50 10 JHGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1 2296836432 YERYFJWUOUYCCD-SFHVURJKSA-N 456.365 3.930 50 10 JHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1 2313652819 KDHVFZYRAIBNAG-UHFFFAOYSA-N 460.559 3.783 50 10 JHGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2328796743 DYEKJXFOKQVBHT-KRWDZBQOSA-N 462.528 3.951 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CC[C@@H](CBr)CC1 2338679249 JLRSYNIOEGLZLG-OCAPTIKFSA-N 457.992 3.629 50 10 JHGE CN([C@H](CCBr)C(F)F)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338846781 GNOZFPISGHUDGR-MRXNPFEDSA-N 495.386 3.523 50 10 JHGE CCC[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2364190392 MITBPOYJSPWABW-ZWKOTPCHSA-N 499.471 3.916 50 10 JHGE Cn1cc(I)c(CN2CCC[C@]3(CBr)CCCC[C@@H]23)n1 2367611481 PMBKJDUUHLPWQV-CABCVRRESA-N 452.178 3.944 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)c(Br)c1 13981404 QKSPPTFJCJLTTD-VQHVLOKHSA-N 482.787 3.525 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 14770426 UVARGVMSTVWVGU-UHFFFAOYSA-N 462.344 3.907 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1N 40785098 VKJPTYHFWAWXPP-UHFFFAOYSA-N 481.310 3.927 50 10 JHGE COc1cc(C(=O)NCC(=O)NN=Cc2c3ccccc3cc3ccccc23)cc(OC)c1OC 254721628 RPTCDCCNLNWHCP-UHFFFAOYSA-N 471.513 3.899 50 10 JHGE FC(F)(F)Oc1cc(CCl)c(I)c(I)n1 396181978 OZDFEFCVLLRRBK-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE CC1(C)C[C@H](Br)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 704001594 CGKYKFZEMIBFPC-OAHLLOKOSA-N 485.444 3.524 50 10 JHGE O=C(N[C@H](CBr)CC(F)(F)F)c1ccc(F)cc1I 717748606 GTABOYOHPYNSAD-ZETCQYMHSA-N 453.999 3.876 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)c(C)n1-c1ccc(F)cc1 727184230 BRDPWHNRCIZCSG-LDADJPATSA-N 478.505 3.706 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(-c2ccccc2)n1 914465682 GHHOKZVZMQKVCZ-ZHZULCJRSA-N 475.516 3.998 50 10 JHGE C#CC[C@@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1 1670715568 BAODFPTVJRJFLT-FTJBHMTQSA-N 452.558 3.709 50 10 JHGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(F)cc4)c(C)c32)c1 1772744423 DGLVJIHULDNAII-UHFFFAOYSA-N 462.481 3.581 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 1858081769 GTICOXOPBLLQCB-UHFFFAOYSA-N 475.567 3.978 50 10 JHGE Cc1ccc(CCC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860770574 OFTWYLLFCUMRDD-UHFFFAOYSA-N 460.559 3.522 50 10 JHGE O=C(NCc1nnc(CCl)s1)c1ccc(I)c(Br)c1 1877568695 VHPSWSVFVQEWJR-UHFFFAOYSA-N 472.533 3.574 50 10 JHGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cc(CCl)oc1Br 1915032751 LLILKSGGOAFCBE-UHFFFAOYSA-N 458.765 3.846 50 10 JHGE O=S(=O)(N[C@H]1C[C@H](CBr)C1)c1cc(Br)ccc1Br 2029585723 VRYCCYGPNKOVKB-XWEPSHTISA-N 462.001 3.663 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Cl)C[C@@H]21 2167010257 JPKLNMLNCZNTAJ-HLIPFELVSA-N 453.004 3.655 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(I)ccc2O)CC[C@@H]1CCBr 2172479576 ZTMIEIOBBNIAEV-MNOVXSKESA-N 452.130 3.880 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2C[C@H]1C(F)(F)C2 2179790346 CHVMVROGUACKND-RCOVLWMOSA-N 451.152 3.824 50 10 JHGE CN(C[C@H]1C[C@H]1C(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179793657 XHKNXANPURALPI-HTRCEHHLSA-N 453.168 3.927 50 10 JHGE O=S1(=O)CC[C@@H]([C@@H](Br)Cc2cc(Br)cc(Br)c2)C1 2263515092 KOKXGMWKZJZUNA-SKDRFNHKSA-N 461.013 3.952 50 10 JHGE COC(=O)COc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 2294168317 DESYCUZRGIPLDC-UHFFFAOYSA-N 475.295 3.564 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1C[C@H](CBr)CO1 2295311515 LUVMVASNSNSFID-MFKMUULPSA-N 469.999 3.670 50 10 JHGE CC(C)(CI)CN1CCN([C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 2326664480 GHOQNVGNLXZIRW-JKSUJKDBSA-N 465.420 3.511 50 10 JHGE CC(C)c1csc(C(C#N)=C(O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 2331328939 GJTGFRZKIOFHME-UHFFFAOYSA-N 453.973 3.891 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@H](CBr)O1 2340057868 OPGUYHNMGSDCFG-PSASIEDQSA-N 458.521 3.569 50 10 JHGE CC1(C)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2364213062 DKVCJBRHCOAWDN-QGZVFWFLSA-N 499.471 3.916 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)cc1 13979033 NNNRXPNZCIFCMA-UHFFFAOYSA-N 478.574 3.539 50 10 JHGE COc1ccccc1N(CC(=O)N/N=C(/C)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 59382722 SZNCYDRIJROWPR-PLRJNAJWSA-N 451.548 3.739 50 10 JHGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 206406382 GRAGTZKORHOSJY-RGEXLXHISA-N 466.534 3.647 50 10 JHGE O=C(NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cc(Br)ccc1O 1084007583 DPOCNPHJRCWOTJ-UHFFFAOYSA-N 495.289 3.744 50 10 JHGE CCC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 1084068533 JIIDTLPSCYOLIG-UHFFFAOYSA-N 499.564 3.969 50 10 JHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccccc1 1084171221 IDWSTWDUWUEPHP-UHFFFAOYSA-N 486.391 3.790 50 10 JHGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC 1084196985 STLTWLHDOKFLEM-UHFFFAOYSA-N 476.577 3.619 50 10 JHGE C[C@H]1CCC(C(=O)Nc2cccc(Cl)c2)=C2NC=C(C(=O)NN=Cc3ccc(Cl)cc3)C(=O)N21 1088659692 KTOCNHOWXACETQ-AWEZNQCLSA-N 498.370 3.792 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)/C=C/c4ccc(Cl)cc4)c(=O)c23)C1 1860771629 BWRAYAHZFYUMAQ-NQCFCXBZSA-N 470.982 3.658 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@@H](F)[C@H](Br)C1 1888470876 VXLOZEYMTIPXSC-HZGVNTEJSA-N 455.958 3.862 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CC(n3cccn3)C2)C1 2063773131 CONKYJLNLFTMQA-JTTJXQCZSA-N 461.344 3.808 50 10 JHGE CCCN1CC[C@H]([C@H](Br)c2ccccc2I)S1(=O)=O 2089533620 AFSWNBSYXVRTHQ-CHWSQXEVSA-N 458.159 3.541 50 10 JHGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)C1 2115613288 ITUMNCNWJBYBQQ-NVCLVWNLSA-N 451.427 3.868 50 10 JHGE CC(C)(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2128678416 GQNIGIJDJOTJLG-MSOLQXFVSA-N 485.444 3.667 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201761705 BAQYMCZRKQCKOG-TZMCWYRMSA-N 467.983 3.980 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239895051 OHAXOICXADDKMX-XPTSAGLGSA-N 467.983 3.838 50 10 JHGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cncc(CBr)c1 2283109692 KRKYSWSCCNIVIN-UHFFFAOYSA-N 452.418 3.652 50 10 JHGE CCOc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1OC 2314737457 MRMUTPXPBDQVED-UHFFFAOYSA-N 476.485 3.895 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)c1ccsc1 2338844410 GBSAXWKHUIBIAG-GOSISDBHSA-N 499.452 3.960 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355685850 GNZOPJAUNLNQIH-HLUHBDAQSA-N 467.983 3.694 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3C[C@H]2[C@H]3CBr)cc1Br 2358059936 KCZLYRFCSRDHPH-AUTRQRHGSA-N 488.039 3.924 50 10 JHGE Cc1c(CBr)ccc(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)c1C 2367935595 HAKBIOKRBIBSKZ-OAQYLSRUSA-N 497.386 3.964 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@](NC[C@H]2C[C@@H](Br)C2)(C(=O)O)C[C@H]1C(F)(F)F 2376561057 PMVHAOUEBHNBEA-BUWBCJGYSA-N 459.303 3.535 50 10 JHGE CO[C@@H]1CN(Cc2ccc(I)c(Br)c2)[C@H](CCl)[C@H]1OC 2377327185 QAKFEXRYKCVOEF-MGPQQGTHSA-N 474.564 3.507 50 10 JHGE CC1CCC([C@@H](CCl)NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2379730967 ZCSLJKGBNDHGLW-LBXVMSDZSA-N 455.020 3.806 50 10 JHGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14020739 UHNILYYBVFMWHZ-UHFFFAOYSA-N 468.579 3.553 50 10 JHGE CCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20616201 KHZUMTOBDYTVPF-GGINQZRYSA-N 484.600 3.939 50 10 JHGE biogenic O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2nnnn2-c2ccccc2)o1 59391567 HVZZVMGSTFFZJO-WSDLNYQXSA-N 454.899 3.589 50 10 JHGE O=C(NN=Cc1c(Br)cc(Br)c(O)c1Br)c1cccnc1 252635056 WUCSWFHDJCAHCM-UHFFFAOYSA-N 477.938 3.839 50 10 JHGE O=C(CBr)c1cc([N+](=O)[O-])c(OC(F)(F)F)cc1I 575709709 BWIZINVMGYQKKI-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE O=C(NNC(=O)c1ccc(Br)cc1I)c1ccc(Cl)cc1 727785467 YGSJITZQHARLQQ-UHFFFAOYSA-N 479.499 3.782 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1 761399699 BUSNTDPPBHZWHO-IQFISFIMSA-N 474.908 3.990 50 10 JHGE CCC/C(C)=C\C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 920287127 DVLQHAYMYNVFGF-OWBHPGMISA-N 465.959 3.657 50 10 JHGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1 1084169807 SCJHVDJPVRCRQW-UHFFFAOYSA-N 472.910 3.594 50 10 JHGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3S(=O)(=O)CC(C)C)c(C)n2)cc1 1865758640 KVFJKXUTRYERJO-UHFFFAOYSA-N 465.575 3.870 50 10 JHGE COC(=O)c1cc(Br)cc(Br)c1NC(=O)[C@@H]1C[C@@H]1Br 1887725991 WCOBJCXODAPKBJ-SVRRBLITSA-N 455.928 3.720 50 10 JHGE CO[C@@H]1C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1903182491 QZTIQWRPNRNDHY-HZPDHXFCSA-N 465.682 3.507 50 10 JHGE Cc1nc(S(=O)(=O)N(Cc2ccccc2)C(C)(C)CBr)c(Br)n1C 1915771176 KNGAPFIGNCDNTN-UHFFFAOYSA-N 479.238 3.855 50 10 JHGE Cc1nc(I)c(I)n1C[C@@H](CBr)C1CC1 1928099046 RYLZABCFCPOJFP-MRVPVSSYSA-N 494.940 3.822 50 10 JHGE C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 2010826716 GMVHLGRLIDCCPF-IAGOWNOFSA-N 479.709 3.897 50 10 JHGE CCN(C[C@@](C)(CI)OCCn1ccnc1C)C(=O)OC(C)(C)C 2012481211 HHESDTYTBDIXTN-QGZVFWFLSA-N 451.349 3.659 50 10 JHGE O=C(CBr)c1cc(S)cc(I)c1I 2060148306 BWCQBDGOQIOPBC-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2scc(Br)c2Br)[C@@H]1Br 2078742734 BCKCOOVHLHMVIX-MUWHJKNJSA-N 462.001 3.944 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2cc(Cl)ccc2I)C1 2109025702 WQVNFFYWNNSWLW-WPRPVWTQSA-N 458.521 3.569 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cc(CBr)cs1)C2 2123228627 DJFJBYCSOPJYGB-MJGOQNOKSA-N 455.443 3.786 50 10 JHGE CCCN1CCC[C@H]([C@@H](Br)c2ccc(I)cc2)S1(=O)=O 2145778346 PFNAGVCXFVBPCU-KGLIPLIRSA-N 472.186 3.931 50 10 JHGE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(C(=O)N2CCC(Br)CC2)C1 2162880880 SZYDYNYCDIJIGA-AWEZNQCLSA-N 454.356 3.932 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185292693 JLNTZACJHCQWSI-AQUOVQTQSA-N 470.532 3.712 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc(CBr)c([N+](=O)[O-])c1 2188577700 POFGJLXBOVNHIZ-UHFFFAOYSA-N 469.295 3.904 50 10 JHGE Cn1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)C(C)(C)C2)cc1CBr 2193725092 LQAJTWYMPGAEBZ-UHFFFAOYSA-N 454.434 3.595 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2247676575 FLIOBGNVYCIELO-UHFFFAOYSA-N 455.455 3.699 50 10 JHGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1ccc(I)c(Cl)c1 2279411205 UTGMZOYOEFQURK-MWLCHTKSSA-N 472.548 3.865 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1C[C@H](Br)CCO1 2295306951 COMFMZYTAGFDOJ-ZWNOBZJWSA-N 469.999 3.813 50 10 JHGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 2313752836 MJKXURRCJARWDK-UHFFFAOYSA-N 461.543 3.623 50 10 JHGE C[C@H](NC(=O)C(C#N)=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1ccccc1 2314486694 BGJBUSYOMRYBAM-HNNXBMFYSA-N 477.502 3.853 50 10 JHGE O=S(=O)(c1cscc1Br)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361447905 DHZZOHLKPWEORM-RCOVLWMOSA-N 457.131 3.990 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@@H](CCl)CCC12CCC2 2364190205 KFHWVVZAHPCPIC-QGZVFWFLSA-N 453.004 3.799 50 10 JHGE N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778307 JNVXXBDMAPQLST-AQTBWJFISA-N 451.479 3.598 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1OC 3209658 RMKXYXHYIFUAJS-DFQSPPPFSA-N 480.502 3.595 50 10 JHGE CCOC(=O)c1sc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c(SC#N)c1C 9505978 QTAGZGMYUIJXPP-GFCCVEGCSA-N 485.634 3.660 50 10 JHGE CCOc1c(I)cc(C=NNC(=O)CC2(C)SCCS2)cc1OC 12411293 FTRBTMADYHVJFP-UHFFFAOYSA-N 480.393 3.735 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)ccc1Cl 13979739 VMJIWLJBLYIYNO-UHFFFAOYSA-N 462.127 3.670 50 10 JHGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccccc1Br 14031804 XNBPHDVHBHIGNJ-CYBMUJFWSA-N 472.364 3.705 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)c(C)c1 14040561 XOEIMYFMTLVECF-UHFFFAOYSA-N 475.545 3.941 50 10 JHGE CCCCCN1C(=O)/C(=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21 20449289 UPVIQPWNNKIHDY-RTGHAWDRSA-N 491.617 3.640 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811600 PFXXGOXZXIKNEM-OVVQPSECSA-N 453.930 3.728 50 10 JHGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(I)o2)c(Br)c1 97136544 DJNSFAYZMOJPEO-CNHKJKLMSA-N 477.096 3.793 50 10 JHGE CC(=O)c1ccc(NC(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 761414524 GUILEFAFBAXSDY-KGENOOAVSA-N 467.485 3.755 50 10 JHGE C=CCC[C@@H](NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1 1564407059 UZRRIOHQWKYIRF-QGZVFWFLSA-N 456.509 3.986 50 10 JHGE CC(C)(C)OC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1859001376 QZSSMXAQWKEMSF-UHFFFAOYSA-N 476.580 3.837 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc(OC)c1O 1865715096 VZEGYWKOPRSMNY-KRWDZBQOSA-N 472.423 3.891 50 10 JHGE O=C(NOCCCNC(=O)[C@H]1C[C@@H]1Br)OCC1c2ccccc2-c2ccccc21 1881353642 KURPECTTWBZZAJ-ICSRJNTNSA-N 459.340 3.746 50 10 JHGE O=C(NC[C@]1(CBr)CCCO1)c1cc(Br)c(Br)s1 2073634093 VVKGYSHWRNBHTC-LLVKDONJSA-N 462.001 3.947 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@H]1CCBr 2090572756 PMENHFNPSXVCBU-MAUKXSAKSA-N 485.444 3.572 50 10 JHGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)CC(F)F 2123247979 TZPGHLJROBHQDC-UHFFFAOYSA-N 450.349 3.741 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(F)cc1Br 2136495513 ARZOZSWHMZNJGR-LDYMZIIASA-N 464.138 3.716 50 10 JHGE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162602401 OKVBMQRCHNKCFG-NVXWUHKLSA-N 461.422 3.895 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@]2(CBr)CCCC[C@@H]12 2165244193 RULRJZPSVMXSJY-DENIHFKCSA-N 497.455 3.812 50 10 JHGE C[P@]1(=O)C[C@H](Br)[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 2177849238 PJJVLVNXPNRIAG-MZXNSHFHSA-N 465.531 3.519 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@@H]2[C@H](C1)C2(F)F 2179784872 FJJXZMXFKIBXIF-SFYZADRCSA-N 451.152 3.681 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CBr)ccc2F)C1 2179789708 URBJYUPTIMZBSU-INIZCTEOSA-N 455.393 3.863 50 10 JHGE COc1ccc(CBr)cc1S(=O)(=O)N1CCC(OCc2ccccc2)CC1 2179860425 RLBASQWEMUZIRJ-UHFFFAOYSA-N 454.386 3.960 50 10 JHGE Cc1cc(S(=O)(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cc(CBr)c1F 2179860999 AHVJDICNYNAOGD-GOSISDBHSA-N 455.393 3.924 50 10 JHGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1cc(Cl)ccc1I 2195500401 USCSXUFLBHHAGX-ONGXEEELSA-N 472.548 3.865 50 10 JHGE CO[C@@]1(CBr)CCCN(C(=O)c2ccc(C)c(I)c2)C1 2232830400 LSRLFYQAGARKRG-OAHLLOKOSA-N 452.130 3.616 50 10 JHGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccc(OC)cc4)cc3)nc2s1 2297499716 XSSCBHHXURPQSK-UHFFFAOYSA-N 487.541 3.847 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(Br)cc(OC)c1OC 2328821160 VJXISJLPKUZZJN-LRDDRELGSA-N 472.380 3.856 50 10 JHGE COc1ccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(Br)c1O 2328822754 OQXUAHCVMYPXGI-ZDUSSCGKSA-N 458.353 3.553 50 10 JHGE C[C@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2338842781 MPVXDLPUCLEDOD-LPHOPBHVSA-N 485.444 3.668 50 10 JHGE CCOC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2c(NC(=O)CCl)scc12 10383400 XCJIOOVHODFLIQ-UHFFFAOYSA-N 475.832 3.700 50 10 JHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 12570256 ZMHPAFVPMRSALC-UHFFFAOYSA-N 470.378 3.562 50 10 JHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1Br 12581340 VQDYLLKESSCTFP-UHFFFAOYSA-N 459.127 3.936 50 10 JHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 13978662 NSORUTWVMCGTHG-RSPDNQDQSA-N 452.363 3.804 50 10 JHGE COc1cc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc(OC)c1OC 14653000 OAINGPZLAPNASY-UHFFFAOYSA-N 481.343 3.585 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 41012386 IDMQINQVKQBEGG-NWXPRTEPSA-N 452.894 3.733 50 10 JHGE O=C(CCCCl)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C/C=C\c2ccccc2)CC1 205980761 BJPWAYSBSGBWDJ-CYWQWNIESA-N 454.014 3.591 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC(C(F)(F)F)C(F)(F)F)C1 226033791 GBQSCAKNUAQPOL-NKWVEPMBSA-N 463.156 3.919 50 10 JHGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(C)c2)ccc1OC(=O)c1ccc(OC)cc1 254796152 ZHNPBYWVXJABFO-UHFFFAOYSA-N 475.501 3.710 50 10 JHGE O=S(=O)(CCCCCl)Nc1ccc(I)cc1Br 304195261 JTZCQQYHUSSZGP-UHFFFAOYSA-N 452.539 3.814 50 10 JHGE CC(=O)[C@H](Br)c1ccc(I)cc1I 306791262 XASCNUUSDFBZDI-VIFPVBQESA-N 464.866 3.921 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)c1cccc(Br)c1 1083938265 AMUXAWYNGJQXPP-UHFFFAOYSA-N 487.270 3.832 50 10 JHGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)c1 1084340312 PCHFLPQIOPIRQR-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)c2ccc(CSc3nncn3C)cc2)c1Br 1084362603 AWYQRBHXWJVSRM-UHFFFAOYSA-N 490.383 3.651 50 10 JHGE Cc1cc(OCC(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)ccc1Br 1772752935 HCHKVFKTZXKUAU-UHFFFAOYSA-N 487.104 3.663 50 10 JHGE CCOC(=O)c1c(CBr)ncc(OC(F)(F)F)c1I 1848387620 IJEZAVYTFSQRSM-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750554 HAPDQBGMBPZJRB-VKAVYKQESA-N 490.453 3.578 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2C[C@H](n3cccn3)C2)C1 2063774549 CONKYJLNLFTMQA-MPGHIAIKSA-N 461.344 3.808 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](OCCBr)C1 2109128003 LNKKTNWHUYYKBK-SNVBAGLBSA-N 458.521 3.571 50 10 JHGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NC(=O)[C@H](Br)C2CCCC2)C(C)(C)C1 2132805249 UPPKIRWPUFAVAZ-PTFIGZPYSA-N 451.427 3.964 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CCCl)C1CCCCC1 2145919891 HXMCUFJXUNIHQY-FQEVSTJZSA-N 455.020 3.950 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)CC[C@@H]1CBr 2152060941 MBYQYXUNSQFKDU-MRXNPFEDSA-N 497.455 3.668 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[C@H]1Br 2221688871 OTIAKLPXEFFCHM-BPLDGKMQSA-N 476.209 3.785 50 10 JHGE COc1ccc([C@@H](Br)[C@H]2CCCCS2(=O)=O)cc1I 2269539633 FEDJQECJTWVLBN-CHWSQXEVSA-N 459.143 3.703 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2364216025 YDUFGENLTWKCOX-FFZOFVMBSA-N 497.455 3.668 50 10 JHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 13976797 HSNAOEWIYUYCNW-UHFFFAOYSA-N 484.405 3.816 50 10 JHGE Cc1cc(Br)c(OCC(=O)N/N=C2\C(=O)N(C)c3c(C)cccc32)c(Br)c1 15015426 QUWMUFVPYHIVRO-KQWNVCNZSA-N 495.171 3.704 50 10 JHGE CCn1nc(C(=O)NNC(=O)/C=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c2ccccc2c1=O 15721044 IOQVFHQEFRYBLM-NTCAYCPXSA-N 469.545 3.607 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38654608 XLGOKQPJCFCLOO-NRFANRHFSA-N 458.386 3.940 50 10 JHGE CCCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccc(OCC)cc1 48572260 UYHVZMFCGJQKMX-ZMOGYAJESA-N 462.344 3.517 50 10 JHGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 206267631 WWFKRHQJKVONQN-RGEXLXHISA-N 477.546 3.839 50 10 JHGE CCCn1nc(C(=O)NNC(=O)/C=C\c2cccc(-c3ccccc3)c2)c2ccccc2c1=O 213062703 LPPOTOLKHUIHIY-NXVVXOECSA-N 452.514 3.948 50 10 JHGE CC(C)(C)OC(=O)N(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CCN 216511779 XOMZEJIXUPTULS-FLFQWRMESA-N 489.620 3.523 50 10 JHGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 1083898734 JJQSLVOTVPXKEJ-UHFFFAOYSA-N 458.547 3.970 50 10 JHGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(C(C)(C)C)cc3)CC2)c1 1566765371 IUIIPIRYHBBARY-UHFFFAOYSA-N 457.596 3.731 50 10 JHGE C#CCCCC(=O)NNC(=O)c1cc(S(=O)(=O)Nc2ccc(CCCC)cc2)ccc1C 1639190188 TUEBEQDBGNDZAO-UHFFFAOYSA-N 455.580 3.703 50 10 JHGE CCCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771798 IJDRNYIYSKXHSH-QSOAKEGCSA-N 480.590 3.547 50 10 JHGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710228 RMTRIKVDOORLHE-NRFANRHFSA-N 477.452 3.530 50 10 JHGE CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866133016 JZTILFQPTRYQDS-LFIBNONCSA-N 464.453 3.751 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@@H]2C[C@H]2Br)cc1Br 1887909217 ZTSSWBZILBHOBI-WCBMZHEXSA-N 476.028 3.924 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](F)[C@@H](Br)C2)cc1Br 1888471078 ZLVHWXOUTKZWHL-UWVGGRQHSA-N 479.991 3.626 50 10 JHGE CC1(C)CC[C@H](Br)[C@@H](CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1927037683 CMZUURSAGGUJTG-APWZRJJASA-N 499.471 3.962 50 10 JHGE COC(=O)Cc1cc(CBr)c(I)cc1I 2055332376 ZSBASUYQLIZCRX-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1cccc(Br)c1Br 2097940847 GADULFBWZBMAHF-IUCAKERBSA-N 455.972 3.884 50 10 JHGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179791857 XKZJRMRAHPEPQN-QZTJIDSGSA-N 469.832 3.987 50 10 JHGE CS(=O)(=O)CC1CC(O[C@H](CI)c2ccccc2Br)C1 2207476670 BNOFJHDAIWZLIY-QIMFLAQGSA-N 473.170 3.765 50 10 JHGE O=C(c1cccc(I)c1)N1CCC(OCCCBr)CC1 2207529197 DPBOVVCNDGGJBG-UHFFFAOYSA-N 452.130 3.697 50 10 JHGE C[C@@H](CCCCCI)NS(=O)(=O)Cc1ncsc1Br 2226104882 BQXJBNAJAGXAIB-VIFPVBQESA-N 481.219 3.709 50 10 JHGE CC(C)Oc1cccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 2325885131 CGEMXXMQXPLQDU-MRXNPFEDSA-N 480.590 3.546 50 10 JHGE Cc1sc(C)c(S(=O)(=O)NCCSCCCBr)c1Br 2335641689 ZHFGJRISQIOSOT-UHFFFAOYSA-N 451.271 3.924 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)C(=O)[C@H](Br)C1CCCC1 2364446784 SAZJIMWHQSTNDV-SNVBAGLBSA-N 472.019 3.857 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)Cc1cccc2ccccc12 13977023 ILUIZWUVFCPBQF-UHFFFAOYSA-N 486.391 3.554 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1Br 13979768 XSDNKAIGGFFVHO-UHFFFAOYSA-N 455.736 3.633 50 10 JHGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc2ccccc2c1 59246754 IFVNTAMVASLZDZ-JFLMPSFJSA-N 467.953 3.863 50 10 JHGE CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 59463992 ZKWMILGAAIYVQV-CVKSISIWSA-N 465.575 3.642 50 10 JHGE COc1ccc(S(=O)(=O)/C(C#N)=C\N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 102716123 DQXWZOGFBDJZHE-HKWRFOASSA-N 451.470 3.675 50 10 JHGE COc1cc(I)c(I)cc1CBr 306636409 LSQIGLXCZPSSHI-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE COC1(CBr)CCN(C(=O)c2cc(Cl)ccc2I)CC1 401834770 KLLDKCPPPQAFBP-UHFFFAOYSA-N 472.548 3.961 50 10 JHGE COc1ccc(N(CC(=O)NN=C(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084007561 RRYLEFXEZLJFRS-UHFFFAOYSA-N 481.574 3.748 50 10 JHGE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)CCOC 1157606204 JTRDYWWWHWOVNJ-QFIPXVFZSA-N 457.958 3.646 50 10 JHGE Cc1c(C(=O)NCc2cccnc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747918 LWQPMHSEVFAUQG-UHFFFAOYSA-N 481.896 3.945 50 10 JHGE CCOC(=O)NN=C1CCCc2oc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(C)c21 1772751571 VCMPMORYDRIFFD-UHFFFAOYSA-N 497.335 3.521 50 10 JHGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689394 RDOGIXKGGORUHZ-GOSISDBHSA-N 482.338 3.915 50 10 JHGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(C(=O)O)[nH]c2ccc(Cl)cc12 1873793172 AGAVRGIASYMHLJ-VYPBGABDSA-N 450.923 3.909 50 10 JHGE CCN(C[C@@](C)(CI)OCCCN1CCCC1)C(=O)OC(C)(C)C 2007040147 MREOEHAUWAZSQQ-GOSISDBHSA-N 454.393 3.940 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2040602247 BGHMPSAJKPGNTK-HAFWLYHUSA-N 459.985 3.507 50 10 JHGE CCOC(=O)c1cc(CBr)c(I)cc1I 2055238400 WBUAQONQJWOBKK-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1ccc(Br)cc1Br 2076260559 YZGNGUMREWMIMA-IONNQARKSA-N 462.001 3.616 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)c1ccccc1 2089707152 KRIULDBDSXRRRM-LJQANCHMSA-N 479.396 3.509 50 10 JHGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1c(C)nn(CCBr)c1C 2179862417 WGYMZDCJGPSQQL-UHFFFAOYSA-N 458.422 3.511 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)Cc1ccccc1Br 2226097679 VNUXSZIWPOANBK-ZWNOBZJWSA-N 460.175 3.718 50 10 JHGE O=C(NC[C@]1(CBr)CCCO1)c1ccc(Cl)c(I)c1 2268352730 QIZSALXPMRJQPR-CYBMUJFWSA-N 458.521 3.619 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296359186 DMCKQWAVMJBRQK-GXTWGEPZSA-N 470.532 3.571 50 10 JHGE CC(C)[C@H](Br)C(C)(C)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2318055220 UCTOWODEEXHKCL-KRWDZBQOSA-N 473.433 3.570 50 10 JHGE CCOc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccccc1 2321685146 KPVXVNPHWILQJY-UHFFFAOYSA-N 470.529 3.984 50 10 JHGE O=S(=O)(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)ccc1Br 2354928285 LMZRLERPDFODPB-GCWIYAPXSA-N 488.039 3.909 50 10 JHGE C[C@@H](Cl)c1nc2cc(Br)cnc2n1-c1c(I)cnn1C 2381869766 VTTZBRXWQBWTCX-ZCFIWIBFSA-N 466.508 3.821 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 13619656 UAXJOZLVPKJPTJ-SUMWQHHRSA-N 453.322 3.780 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Br 13976469 CTSAFKSVQJBFAW-UHFFFAOYSA-N 478.412 3.770 50 10 JHGE Cc1cc(C)cc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 13981003 PXBIYASFBOHIPW-UHFFFAOYSA-N 457.324 3.824 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 48572927 IPVAFJTYNUSOFU-JVWAILMASA-N 453.502 3.945 50 10 JHGE C[C@@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1cc(F)ccc1N1CCN(C)CC1 726280654 XXZZSIKFUVKPHA-QGZVFWFLSA-N 455.578 3.580 50 10 JHGE COc1ccc(N(CC(=O)NN=C(C)c2cccs2)S(=O)(=O)c2ccccc2)c(OC)c1 1083939965 KISWSBVAHRRAJW-UHFFFAOYSA-N 473.576 3.501 50 10 JHGE COc1ccc(C(C)=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 1084318493 CESNHQXLSVOXLD-UHFFFAOYSA-N 469.538 3.878 50 10 JHGE Cc1cc2occ(CC(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)c2cc1C(C)C 1086832048 NLNFYXHUWCYLFC-UHFFFAOYSA-N 462.594 3.767 50 10 JHGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNc2cc(C)ncn2)c1 1182729597 NWTWNLQCJACDGH-UHFFFAOYSA-N 457.943 3.577 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)c1 1637299365 WCPNNPMFVCNPCL-IHPCNDPISA-N 456.612 3.944 50 10 JHGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714862 RWVSQVADJYPRNG-IBGZPJMESA-N 455.833 3.864 50 10 JHGE Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(C)c1 1865851458 CCEGOOZBVQUUCW-DOTOQJQBSA-N 494.617 3.571 50 10 JHGE CC(C)(CI)CN=[S@@](C)(=O)C1CC(CNC(=O)OC(C)(C)C)C1 1904650857 KLPBAPDGAIWOHW-WVPYVGAHSA-N 458.406 3.849 50 10 JHGE O=[N+]([O-])c1cc(I)c(I)c(CBr)c1 2060235439 JUDBARJKOXVNEA-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1cc(Cl)ccc1I 2097945870 NICOFKWLJKUQDR-WPRPVWTQSA-N 458.521 3.617 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1ccc(Br)cc1C 2141756676 WFLBQNFHPYKUMK-CABZTGNLSA-N 460.175 3.886 50 10 JHGE CC1(C)[C@H](CBr)OCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2159630640 GVHGNLHEDVAZJS-QMMMGPOBSA-N 467.632 3.727 50 10 JHGE C[C@H]1[C@H](C)N(S(=O)(=O)c2cncc(CBr)c2)C[C@@H](C)N1Cc1ccccc1 2283109449 HTUHLSCMXNLWFD-IKGGRYGDSA-N 452.418 3.649 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2O[C@H]3CC[C@H]2C3)C1 2307434981 QZLMBEFOLNLMNW-XSWJXKHESA-N 451.345 3.775 50 10 JHGE Clc1ccc(CN2C[C@@H]3OCC[C@@]3(CBr)C2)cc1I 2337221075 KHCMASZYVUVVQV-UONOGXRCSA-N 456.549 3.930 50 10 JHGE CC(C)[C@@H](Br)C(C)(C)CN(C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2340363778 KWOZTYGFGYKKPP-GOSISDBHSA-N 487.460 3.770 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCC[C@]2(CCl)C1 2364214647 OPGXXZWOEXLKQQ-JTSKRJEESA-N 453.004 3.514 50 10 JHGE C[C@@H](Cl)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2367001253 ABFFPNDWGBWMIN-CSNJMZFVSA-N 453.004 3.653 50 10 JHGE CN(CC1CC(Br)C1)C1(C(=O)O)CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 2378567180 MITIXJPSKVCROP-UHFFFAOYSA-N 459.303 3.535 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 13621144 CAKOJOTXYOHKDO-ASJRZHAZSA-N 482.389 3.895 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38687369 PCJQILNDMSEZJX-BJKOFHAPSA-N 456.454 3.659 50 10 JHGE OCc1ccc(Pc2cc3ccc2CCc2ccc(c(Pc4ccc(CO)cc4)c2)CC3)cc1 101742956 NXAUQAOJKHUTGI-UHFFFAOYSA-N 484.516 3.814 50 10 JHGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1 206433166 GUPYGUDBRADVDB-DJUMWKSXSA-N 464.518 3.772 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc(C(C)(C)C)cc4)c(=O)c23)C1 1860771883 KRKPEFGBPJODQE-GJZGRUSLSA-N 466.607 3.903 50 10 JHGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865710914 LIRGWPDGFVHWJM-JOCHJYFZSA-N 450.470 3.623 50 10 JHGE CC[C@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866886917 ZQTRNZRHRWRNLS-SFHVURJKSA-N 465.984 3.610 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CCC(CCl)CC2)C1 1916931303 NKNRNHLTLBPRJQ-UHFFFAOYSA-N 453.004 3.514 50 10 JHGE O=C(c1cccc(I)c1)N1CCC(CI)CC1 1949202875 XOJVAPGSGQRXRX-UHFFFAOYSA-N 455.077 3.578 50 10 JHGE O=C(NCCNS(=O)(=O)CCC(CCl)CCl)OCC1c2ccccc2-c2ccccc21 1956264951 KDUQFJSXSAZVLO-UHFFFAOYSA-N 485.433 3.928 50 10 JHGE Cn1nc(CNCCSSCCNC(=O)OC(C)(C)C)c(Br)c1Cl 2010828884 NJAWVSASYMTOMN-UHFFFAOYSA-N 459.863 3.832 50 10 JHGE COC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1csc(N(C)CC2CC(Br)C2)n1 2198614419 AAYQTGRAKSUXNF-WXRRBKDZSA-N 462.410 3.882 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2CC[C@H](Cl)C[C@@H]2C1 2204093446 JKYYMJGURHFFPZ-KSZLIROESA-N 453.004 3.512 50 10 JHGE Cn1nc(Br)c([C@H](Br)c2cc3c(cc2Br)OCCO3)n1 2235269505 MRVMXBKWRSXKOA-SNVBAGLBSA-N 467.943 3.596 50 10 JHGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3CCC[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1 2297470525 YIPPELVACFSUGT-GOSISDBHSA-N 462.575 3.886 50 10 JHGE CCCCCOc1ccc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 2314620568 QXDCCERSEUITMQ-UHFFFAOYSA-N 498.576 3.826 50 10 JHGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2314773773 AQVDENUXXXPBCU-UHFFFAOYSA-N 463.519 3.612 50 10 JHGE CCN(CC)CCN(C(=O)C(C#N)=Cc1cccc(Br)c1)C(=O)c1ccc(N)cc1 2324521541 ONRVKNIXEXSDOH-UHFFFAOYSA-N 469.383 3.949 50 10 JHGE CN(C)[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2325225762 ITONCKGSCFVVKU-AAEUAGOBSA-N 488.005 3.563 50 10 JHGE COc1cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc(Cl)c1OC 2328827616 FQVFZNRQYBHBGH-SFHVURJKSA-N 461.946 3.943 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NCC[C@@H]1CCC[C@@H]1Br 2338681108 WPLLVYZCJIGBJF-YUMQZZPRSA-N 457.992 3.629 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC1(CBr)CC(C)(C)C1 2338685145 WFOVXKNVDALPNR-UHFFFAOYSA-N 457.992 3.629 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@@H](CBr)CC1 2338691413 RPJMFHOMDAAHOJ-MRVPVSSYSA-N 457.992 3.582 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CCBr)CCCC1 2338845161 NMAJDWJYHCFIHP-UHFFFAOYSA-N 485.444 3.860 50 10 JHGE O=C(CCC(=O)OCCCc1ccccc1)NNC(=O)c1ccc(OCc2ccccc2)cc1 14027940 FDGKFFWWNFVXJZ-UHFFFAOYSA-N 460.530 3.983 50 10 JHGE COC(=O)c1ccc([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 26642304 QFGBLJUIGBHRAS-RPWUZVMVSA-N 493.523 3.535 50 10 JHGE COc1ccccc1N1[C@H](c2ccccc2C)[C@H]2C(=O)OC(=O)[C@H]2C12C(=O)c1ccccc1C2=O 105686690 KKLIRTQMIMJBBV-RJGXRXQPSA-N 467.477 3.699 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCO[C@H](CBr)C1 168195860 QDNZEQJRALJYLM-MRVPVSSYSA-N 467.994 3.540 50 10 JHGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1C(C)(C)CC(N)CC1(C)C 217253997 IUJQNXGGIUTQKF-OWBHPGMISA-N 466.367 3.926 50 10 JHGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1C 727332197 CNVKKFDLDBXRHT-OJSPLJLUSA-N 452.555 3.542 50 10 JHGE O=C(NNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl)c1ccc(Cl)cc1 730955497 PIVJZWHLTDESDV-UHFFFAOYSA-N 460.655 3.937 50 10 JHGE COc1ccccc1NC(=O)C(=O)NN=Cc1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1 1084355623 NLMGLSMAGFQASW-UHFFFAOYSA-N 494.935 3.763 50 10 JHGE O=C(Cc1ccccc1)Nc1ccccc1C(=O)NN=Cc1cc(I)ccc1O 1084530889 UFODFVAUHNAQGC-UHFFFAOYSA-N 499.308 3.942 50 10 JHGE O=C(CCc1nnc(-c2cc3ccccc3o2)o1)NNC(=O)c1ccc(Br)cc1 1338256127 ABBPWMCWJIHITM-UHFFFAOYSA-N 455.268 3.639 50 10 JHGE C#CCCCC(=O)NNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 1639191839 FTCWTOKSLZIOIX-UHFFFAOYSA-N 455.493 3.850 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCCc4ccc(Cl)cc4)c(=O)c23)C1 1860771532 ZKVMYMYSFFZQDQ-HUUCEWRRSA-N 487.025 3.968 50 10 JHGE COc1cccc(-c2ccc(C(=O)NNC(=O)c3ccc(I)cc3)c(C)n2)c1 1865758704 MURSEQCLDFSMGM-UHFFFAOYSA-N 487.297 3.745 50 10 JHGE COC[C@@](C)(CCBr)NC(=O)c1ccc(I)c(Cl)c1 2101778370 WQRGATGKAVINNY-CYBMUJFWSA-N 460.537 3.865 50 10 JHGE O=C(N[C@H](CBr)c1cscn1)c1ccc(F)cc1I 2119039342 NWFYENDYIUFMJP-SNVBAGLBSA-N 455.090 3.753 50 10 JHGE O=S(=O)(c1csc(CBr)c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2123243333 IJOSCZXVSRUQSH-IAGOWNOFSA-N 455.443 3.786 50 10 JHGE CC(C)(C)[C@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2128678417 GQNIGIJDJOTJLG-QZTJIDSGSA-N 485.444 3.667 50 10 JHGE Cl[C@@H]1CN(c2ncc(I)cc2Br)C[C@@]2(CCCO2)C1 2133381592 JVPQRCUNFSGDET-TVQRCGJNSA-N 457.537 3.815 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC2(C1)OCCC[C@H]2Cl 2159653911 UCRXYIUFHDDBIO-GFCCVEGCSA-N 470.532 3.666 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NCC2(CBr)CCOCC2)C1(C)C 2163063886 RNTJCWPWNLUWNU-KUNJGFBQSA-N 467.470 3.969 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2167014393 ZZSNSQAOCFUWPB-UWVAXJGDSA-N 497.455 3.811 50 10 JHGE C[C@H]1CN(C(=O)c2cc(I)ccc2O)CC[C@H]1CCBr 2172479578 ZTMIEIOBBNIAEV-WDEREUQCSA-N 452.130 3.880 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1C[C@@H](Br)C1 2221684999 ZCTDOIIMONDRSA-ZNMIVQPWSA-N 476.209 3.927 50 10 JHGE C=CC[C@]1(CCl)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2287761620 YKWQKPODLKBTPF-JOCHJYFZSA-N 453.004 3.536 50 10 JHGE Brc1cc(CN2C[C@H](Br)[C@H]3COC[C@H]32)ccc1I 2325223097 WAVNMICXLRDGRT-SUZMYJTESA-N 486.973 3.648 50 10 JHGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(Cc2ncc(I)cn2)C1 2381287846 GCPPQJMKARTHED-VXGBXAGGSA-N 452.178 3.960 50 10 JHGE O=C(CCC(=O)Nc1ccc(I)cc1)N/N=C/c1ccccc1Cl 1949374 HYYREKFMGXGTHQ-RGVLZGJSSA-N 455.683 3.814 50 10 JHGE COc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 14038655 IPQIRUSAOBXHHE-INIZCTEOSA-N 450.491 3.608 50 10 JHGE C/C(=C\C#N)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)Nc3nccs3)cc2C1=O 21142740 IVZIQCTYHQBTMO-MDWZMJQESA-N 457.471 3.671 50 10 JHGE Cc1ccc2[nH]c(/C(C#N)=C\c3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOCC3)nc2c1 33246684 VIPZYSUMBGNFAU-UYRXBGFRSA-N 474.521 3.517 50 10 JHGE O=C(N[C@H]1CCCN(CCBr)C1)c1cc(Br)c(Br)s1 384489767 KDIMTMGOTWQBIF-QMMMGPOBSA-N 475.044 3.862 50 10 JHGE O=C(CBr)c1cc(OC(F)(F)F)cc(I)c1[N+](=O)[O-] 575709592 BBXYSDQJSOKQSJ-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE C[C@@H](CCl)CS(=O)(=O)Nc1cc(I)cc(I)c1 709823674 AKITVDOJKWPCBI-ZETCQYMHSA-N 499.539 3.512 50 10 JHGE O=C(CCCCc1ccc(I)cc1)NNC(=O)CCOc1ccccc1 727737316 SWAVUWRZJGJCSH-UHFFFAOYSA-N 466.319 3.621 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N1CCCCC1 782092509 GFFWZZCTYOABFM-WFVLPUPGSA-N 465.941 3.968 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1 1197844372 RZCWTXSFTPLCNK-AWEZNQCLSA-N 456.499 3.696 50 10 JHGE O=C=Nc1cc(I)cc(OC(F)(F)F)c1I 2060036896 RHQCPIYMGQLIAW-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE CC1(C)C[C@@H](Br)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089699352 VODPRQRMRBVZKH-INIZCTEOSA-N 485.444 3.668 50 10 JHGE CO[C@H]1C[C@H](Cl)CN(C(=O)c2cc(Br)ccc2I)C1 2109024614 PBHRGYJREIVGHD-UWVGGRQHSA-N 458.521 3.522 50 10 JHGE C[C@@H](Br)[C@H]1CN(C(=O)c2c(Br)cccc2Br)CCO1 2117532787 VDLIZODQEYSOJL-LDYMZIIASA-N 455.972 3.836 50 10 JHGE CCCN1CC[C@H]([C@H](Br)c2cccc(C)c2I)S1(=O)=O 2145765438 BLTOWXPEFNHSLC-CHWSQXEVSA-N 472.186 3.850 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)cc(Br)c1 2178908351 WLXSBNGTSHECQA-OLZOCXBDSA-N 469.015 3.751 50 10 JHGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2ccc(CBr)cn2)C1 2179809886 ZIMNSBATSPVREE-IRXDYDNUSA-N 452.418 3.508 50 10 JHGE O=C(Nc1c(Br)cc(Br)cc1C(=O)O)NC1CC(Br)C1 2183100479 LWFLBJMZMAOAGR-UHFFFAOYSA-N 470.943 3.957 50 10 JHGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1cc(Cl)ccc1I 2185319712 RWHGTSGNOSVCJN-ONGXEEELSA-N 472.548 3.959 50 10 JHGE CC(C)[C@@H](Br)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2211441045 YKZPIOGPNMJJLI-MRXNPFEDSA-N 492.455 3.722 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2234879358 UWCKCNFYQKNLER-HLLBOEOZSA-N 459.406 3.505 50 10 JHGE CC1(C)OCCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CCl 2282890905 SQBMFLVIEJSYFU-GFCCVEGCSA-N 472.548 3.912 50 10 JHGE CCOC(=O)COc1ccc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 2297552046 PPGDSHFRRFASSX-UHFFFAOYSA-N 461.518 3.774 50 10 JHGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(F)cc2)sc(C(=O)OCCOC)c1C 2329639423 RNJNHCTZJGNQHF-UHFFFAOYSA-N 460.483 3.721 50 10 JHGE O=S1(=O)CC[C@H]([C@H](CBr)Cc2cc(I)ccc2Cl)C1 2352429310 GNLKUPMRPZIHST-ONGXEEELSA-N 477.589 3.933 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCCC(C)(C)[C@H]1CBr 2364029707 SGVBNXRELJXGJQ-MRVPVSSYSA-N 472.019 3.971 50 10 JHGE O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1 9054444 KIOILWVQUVDUET-CIAFOILYSA-N 497.866 3.932 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Br)c1 9229494 PGRILYKGFWHIBH-BJMVGYQFSA-N 462.300 3.720 50 10 JHGE C/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccc(O)cc1O 12584188 WASSIQOLWPOJTH-DJKKODMXSA-N 458.106 3.542 50 10 JHGE COc1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14006675 AARSMTXHIVCYCT-CQSZACIVSA-N 473.323 3.605 50 10 JHGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 14668636 XZZNUDBRCJZZDT-UHFFFAOYSA-N 470.776 3.839 50 10 JHGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 14834043 WOSUBQBGIAAQDG-NRUITVPNSA-N 453.951 3.996 50 10 JHGE CCN1C(=O)/C(=N/NC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(OC)ccc21 33959350 KBUSODHSZWWTSB-XTCLZLMSSA-N 482.334 3.877 50 10 JHGE O=C(Cn1nc(C(F)F)cc1C(F)F)NN=Cc1cccc(I)c1 252620829 MMWSLRHLAGJTID-UHFFFAOYSA-N 454.165 3.513 50 10 JHGE O=C(c1cccc(F)c1I)N1CCSC[C@H]1CCBr 721704314 JVAHLMCKYKUPQL-SECBINFHSA-N 458.134 3.773 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)CSCc3ccccc3)c3ccccc32)cc1 1084427041 CFPVYDFGUYSIEX-UHFFFAOYSA-N 472.570 3.734 50 10 JHGE COc1ccc(C)cc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858683978 CHIUHALILKSPSO-UHFFFAOYSA-N 452.423 3.935 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2023474372 PIMFTHKOCLOUEK-KKSFZXQISA-N 477.693 3.651 50 10 JHGE O=C(CBr)c1cc(I)c(S)cc1I 2060149907 OENZQRKRESWPQG-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCN3CCC[C@H]3C2)C1 2078757496 BRCQQPYJVPSIKC-FRQCXROJSA-N 464.388 3.835 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(I)c(Br)c2)C[C@H]1Cl 2130822045 KZQHFPZPKFCOCT-HLUHBDAQSA-N 458.521 3.568 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCN(CCCBr)CC1 2169927618 FIGYKKRODNAOLY-UHFFFAOYSA-N 469.015 3.754 50 10 JHGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCBr)cc1 2179787365 NNFLYPFUZFRVCP-SFHVURJKSA-N 451.430 3.909 50 10 JHGE COc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccc(C)cc1 2321685142 JBYLDKHIEDJFDH-UHFFFAOYSA-N 470.529 3.902 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@@H]1CNC(=O)OC(C)(C)C 2325064011 MHTPKQJNHPDWAK-QVKFZJNVSA-N 493.692 3.630 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2OCC[C@@]2(CBr)C1 2365591544 HNLXDBUZTYWLFR-GXTWGEPZSA-N 470.532 3.571 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)N(CCN3CCCCC3)c3ccccc32)c1 59146881 XHHZDLCZBUHWNV-PBBVDAKRSA-N 462.594 3.850 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1C 211147168 BJAFWGXCFRKPJY-CKMDTHJYSA-N 454.615 3.907 50 10 JHGE COc1cc(F)c([C@H](Br)c2cnn(C)c2I)cc1OC 379226833 XAXWHSCAKZOWTI-LBPRGKRZSA-N 455.065 3.665 50 10 JHGE CN(C)C[C@@H](Br)CN(C)C(=O)c1cc(Br)c(Br)s1 690262237 YOFUNEWCCCUMGD-SSDOTTSWSA-N 463.033 3.670 50 10 JHGE O=C(NCCN1CCC(Br)CC1)c1scc(Br)c1Br 707839714 XTFKPWFZKIDSPQ-UHFFFAOYSA-N 475.044 3.862 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c(-c2ccccc2)n1 808433267 GCYPAEMXMHSCPQ-WOJGMQOQSA-N 484.903 3.775 50 10 JHGE COc1ccc(OC)c(N(CC(=O)NN=C(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1084276263 KFEKNVBKIZTLKR-UHFFFAOYSA-N 499.564 3.887 50 10 JHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1c(O)ccc2ccccc12 1084556896 XLRTVUARRJZZTK-UHFFFAOYSA-N 487.581 3.929 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NS(=O)(=O)c3ccc(CBr)cc3)C[C@H]1C2 1260503696 NQEANWWXMPKLND-HRCADAONSA-N 459.406 3.648 50 10 JHGE CC[C@@]1(OC)OCC(=O)[C@]2(O1)[C@@H](C)C[C@H]1[C@@H]3C[C@@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 1848441371 KDKKHMQOLYHOFL-ZCRBRRIESA-N 497.003 3.885 50 10 JHGE COc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858682206 GKHJFCDKDAOCJJ-UHFFFAOYSA-N 456.386 3.766 50 10 JHGE CCOC(=O)c1cc(I)c(CBr)c(I)c1 2055237504 AEIOELGTCZXPCG-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE N#CCc1cc(I)c(CBr)c(I)c1 2060174627 MGBNMKAZIFXJPF-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@@H]2[C@H]1CBr 2086146970 HHNSEWOFUONTSV-VIRWGQHYSA-N 484.957 3.909 50 10 JHGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1cccc(Br)c1Br 2111327687 HQVYSSHXKMWTLD-KCJUWKMLSA-N 455.972 3.741 50 10 JHGE CCN1CCC[C@H]([C@H](Br)c2ccc(F)cc2I)S1(=O)=O 2145758582 JJKZJIZQTWZALZ-CHWSQXEVSA-N 476.149 3.680 50 10 JHGE C[C@]1(CCl)COCCN(C(=O)c2cc(I)ccc2Br)C1 2199827792 PBDXZNGVZOUYLE-CQSZACIVSA-N 472.548 3.771 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Cl)c1ccc(Br)cc1I 2207267843 NTZCUQTUYITWFZ-VXGBXAGGSA-N 470.532 3.712 50 10 JHGE C[C@H](Br)CN(CC(C)(C)C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2272439437 QASOVGFQBRUYAP-HNNXBMFYSA-N 487.460 3.770 50 10 JHGE CC(C)(CI)CN1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 2306819319 SQNPFAGBUWZHCO-UHFFFAOYSA-N 452.377 3.550 50 10 JHGE COc1ccc(C(C#N)=Cc2cccc(OC(=O)CN3C(=O)c4ccccc4C3=O)c2)cc1OC 2320511357 QVZBKJCIWAQVAZ-UHFFFAOYSA-N 468.465 3.970 50 10 JHGE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3cccc(Cl)c3)cc2)n1 2329685246 QHCNGEGMPQSXIP-UHFFFAOYSA-N 453.911 3.785 50 10 JHGE CN(CC1CC(Br)C1)C(=O)[C@@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370333018 RBVHXTNTQHANLG-GYTBAZASSA-N 465.369 3.867 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br 13979865 KYTMHCTYLASSFL-UHFFFAOYSA-N 484.803 3.742 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(c2ccccc2OC)CC1 217240924 HMSFATBLDFYQIR-VXPUYCOJSA-N 462.550 3.820 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 252625943 QSMAFHIMAZFERI-UHFFFAOYSA-N 474.546 3.589 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(C)ccc2O)cc1OC 254310029 QUXQGHNRUFKPMX-VFGUMFSQSA-N 459.502 3.639 50 10 JHGE C[C@@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@@H]1CCBr 707411536 ZUATYVJFQPPDNE-CRAIPNDOSA-N 485.444 3.524 50 10 JHGE O=C(c1ccc(I)cc1)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 709803914 NEWZJZGYDVAWBW-MWLCHTKSSA-N 462.047 3.937 50 10 JHGE O=C(c1cccc(F)c1I)N1CCS[C@H](CCBr)C1 721678855 KKZRHLNHXFWIAO-SECBINFHSA-N 458.134 3.773 50 10 JHGE O=S1(=O)CC(CC(CBr)(CBr)c2ccc(Br)cc2)C1 722784090 SIRPPYALPVZXRY-UHFFFAOYSA-N 475.040 3.911 50 10 JHGE C[C@H]1CCCN(C(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 782092609 IATUOWKCNPCRQF-DAQNXSASSA-N 465.941 3.826 50 10 JHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1OC 916244344 TYNCNKONCCHDHM-UHFFFAOYSA-N 479.445 3.604 50 10 JHGE CC(C)Oc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1084514809 ZKWMILGAAIYVQV-UHFFFAOYSA-N 465.575 3.642 50 10 JHGE C#CC[C@@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1296924691 DUBQUTUMAMKRBW-FQEVSTJZSA-N 455.342 3.939 50 10 JHGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 1865759072 GVSMVGLSBXCPJM-CYBMUJFWSA-N 497.338 3.810 50 10 JHGE O=C(N[C@@H](CBr)C1CC1)c1ccc(I)c(Br)c1 1945356577 VZFPGQYVPLWZMC-NSHDSACASA-N 472.946 3.957 50 10 JHGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2009621911 LBNYJUCOWXSVNF-UHFFFAOYSA-N 494.274 3.910 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Cl)C(F)(F)C1 2034603608 FRZHEDQTYJYURX-SECBINFHSA-N 450.448 3.752 50 10 JHGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)OCC(=O)NNC(=O)c2cccs2)o1 2040422609 ZDNADCJUASASBE-UHFFFAOYSA-N 476.514 3.520 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CBr)C2CC2)cc1Br 2094135910 GPTCIIHHEPQARH-NSHDSACASA-N 476.028 3.972 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2255704361 HBGXPRFDMMTCGM-UHFFFAOYSA-N 488.506 3.683 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](OCCBr)C1 2268356700 UZCRKFAFSWHXPM-JTQLQIEISA-N 458.521 3.571 50 10 JHGE Cc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2269547711 PDECQTAAVHTTSQ-AREMUKBSSA-N 486.377 3.567 50 10 JHGE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1cc(Br)cc(C(=O)NN)c1 2288736760 ANYHXAIEBOWEFP-LRDDRELGSA-N 458.422 3.931 50 10 JHGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cccc([N+](=O)[O-])c1 12583627 ZLLTWSGJLBCMMM-QGMBQPNBSA-N 457.078 3.649 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38653752 USLSZOQCBZPYKP-OAQYLSRUSA-N 458.386 3.940 50 10 JHGE Cc1ccc2nc(Nc3ncnc(NNC(=O)COc4ccccc4)c3[N+](=O)[O-])sc2c1 40650526 SQTQWDNDMVKJLW-UHFFFAOYSA-N 451.468 3.569 50 10 JHGE Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 40785214 REHMPJVWTHTJQT-UHFFFAOYSA-N 487.951 3.744 50 10 JHGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 40864505 WWFKRHQJKVONQN-XMHGGMMESA-N 477.546 3.839 50 10 JHGE COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)c1O 97729943 PCTMXPAGLOEMPI-WYMPLXKRSA-N 468.853 3.979 50 10 JHGE O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccco1 104745840 RQSZNLPWOBCPNI-QHCPKHFHSA-N 494.507 3.890 50 10 JHGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(OC)c3n2)c1NC(=O)[C@@H](C)Br 170536309 WZSHOUVOKUQBOB-GFCCVEGCSA-N 461.316 3.636 50 10 JHGE CC(C)[C@@H](CI)NS(=O)(=O)c1ccc(Cl)c(Br)c1 232723678 JZLNNSGSRBNKEQ-LLVKDONJSA-N 466.566 3.840 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc(O)c3)nc3ccccc3c2=O)cc1 254808023 LDRWNFHUPAYFGP-UHFFFAOYSA-N 474.542 3.732 50 10 JHGE O=C(Cl)c1c(I)ncc(I)c1OC(F)(F)F 396176207 AZXIOXMTZOSYRS-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)N[C@@H](C)c3nc(C)cs3)c2)c(C)c1 727942410 JPZUKONEHZCBCR-INIZCTEOSA-N 487.607 3.574 50 10 JHGE CC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 747369825 JTBHWUZLLGBWFC-QHCPKHFHSA-N 475.570 3.615 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)N1CCc2ccccc21 761400055 GFFNEKKFXXXSFK-NDWLXSOOSA-N 465.513 3.892 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 1083906251 RDDUNFNAVLWGFK-UHFFFAOYSA-N 499.614 3.771 50 10 JHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3ccccc3)cc2)cc1OC 1772720647 VAQUOCCUVXGAOX-UHFFFAOYSA-N 489.528 3.583 50 10 JHGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)cc(OC)c2O)cc1 1865695710 GTKKZJBWWDPQNE-IBGZPJMESA-N 483.322 3.884 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 1866130161 DTGHSCGAQFNEOK-WZLQQZPBSA-N 476.554 3.942 50 10 JHGE COc1cc2nc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)nc(O)c2cc1OC 1872727669 RIDXHUHABPAXIA-NYYWCZLTSA-N 458.268 3.893 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1 2010826042 VPYLBPUGZYOKSM-IIBYNOLFSA-N 477.693 3.651 50 10 JHGE COC(=O)c1cc(I)cc(CBr)c1I 2055324395 ZTWWLCYSHMBODA-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1(CBr)CCCCCCC1 2089707905 UAWZAQAFLXEACF-UHFFFAOYSA-N 485.444 3.860 50 10 JHGE O=C(Nc1c(I)ncnc1I)[C@@H](Cl)c1ccccc1 2121033257 OFVSDPTZZOKGHC-QMMMGPOBSA-N 499.477 3.604 50 10 JHGE Cc1cccc(C(=O)N2C[C@H](CBr)OCC2(C)C)c1I 2167532363 KSROTIDMIHGPDB-NSHDSACASA-N 452.130 3.614 50 10 JHGE C[C@@]1(C2CC2)CN(S(=O)(=O)CCC(F)(F)CBr)CCN1Cc1ccccc1 2179954372 NDAIPZVNMGVKNH-SFHVURJKSA-N 465.404 3.723 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@]2(CN(CCCCCI)CCO2)C1 2214704286 BPYUEZLTXJCTSA-SFHVURJKSA-N 452.377 3.694 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2COC[C@]2(CBr)C1 2234584589 YUEMFFDHBBKLCY-OTYXRUKQSA-N 467.983 3.695 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)N[C@H]1C[C@H](Br)C1 2263362353 FKZQCVPPKNRETA-YDHLFZDLSA-N 476.209 3.927 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cncc(CBr)c2)C1 2283298570 JCAQEVQEDZRLDO-IAGOWNOFSA-N 452.418 3.508 50 10 JHGE CCCN(CCOCCI)C[C@H]1CCCCN1C(=O)OC(C)(C)C 2306800862 AMDLOLXIMJFBPC-MRXNPFEDSA-N 454.393 3.940 50 10 JHGE C[C@H](CCBr)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316828082 YBJIWQXXCMQPFB-MRXNPFEDSA-N 473.433 3.574 50 10 JHGE Clc1ccc(CN2C[C@@H]3OC[C@@H](CBr)[C@@H]3C2)cc1I 2337218160 FTCIWKKJVYGXIO-SUNKGSAMSA-N 456.549 3.786 50 10 JHGE CC1(C)C[C@H](Br)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338849884 MXNIEFBIKKBSHW-INIZCTEOSA-N 485.444 3.668 50 10 JHGE C[C@@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2338852370 NNSPYQPJOPXZES-SJORKVTESA-N 485.444 3.526 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(C(C)(C)CC)cc2)cc1 8905726 KFAFCGJRTRIHCY-UHFFFAOYSA-N 455.555 3.718 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)c(Br)c1 13977737 WYTVZOAOCZUFKG-UHFFFAOYSA-N 496.789 3.918 50 10 JHGE CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 13995507 PNARXFNNUALOLS-OAHLLOKOSA-N 455.736 3.795 50 10 JHGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)cc1C 15092886 FTYHIQIOSNDTSY-UHFFFAOYSA-N 476.558 3.671 50 10 JHGE Cn1nc2c(c1NC(=O)N[C@H]1CC(C)(C)C[C@](C)(CN=C=O)C1)CN(C(=O)OC(C)(C)C)CC2 170290793 XSDUOWNAXZQBRJ-UPCLLVRISA-N 474.606 3.756 50 10 JHGE CO[C@@](C)(CBr)CNC(=O)c1ccc(I)c(Br)c1 721619508 HBENNVGXMJHEMS-LBPRGKRZSA-N 490.961 3.584 50 10 JHGE C=CC[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)OCC 1138146042 FGYQHDNFMJPJLL-NXNYUAIASA-N 451.914 3.648 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1 1188088483 HYTZLORJGZWKQA-UHFFFAOYSA-N 462.446 3.573 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)cc1 1672602820 LKOVZYUEUYVJTN-ZIAGYGMSSA-N 453.417 3.839 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@H](CCBr)CC1 2093309550 BLNYLDHPOOSCSD-QGZVFWFLSA-N 485.444 3.670 50 10 JHGE CCCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 2163056717 VBWSEBTYQDGVPH-MRXNPFEDSA-N 461.422 3.992 50 10 JHGE COC(=O)c1ccc(CNC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 2324609825 RBKHDWGNIVINBJ-UHFFFAOYSA-N 494.595 3.904 50 10 JHGE COc1c(Br)cc(C)c(C(=O)[C@@H](Br)CC(=O)O)c1Br 2339677660 DTIBSKGPLPSFIR-LURJTMIESA-N 458.928 3.950 50 10 JHGE C[C@@H](Br)[C@H]1CN(C(=O)c2ccc(Cl)cc2I)CCO1 2340051575 FFZRFDRRGCPLBQ-PRHODGIISA-N 458.521 3.569 50 10 JHGE CC1(C)C[C@H](Cl)C[C@@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364212860 AZCVXOXSDPUYSC-IAGOWNOFSA-N 455.020 3.949 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2365597181 CZZYQRUWSVMRCG-TVYUQYBPSA-N 470.532 3.712 50 10 JHGE COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)/C(C#N)=C(\C)N 9562727 ANWYEJSBFFCBSQ-LVZFUZTISA-N 463.563 3.588 50 10 JHGE CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc2c1cc(B(O)O)n2C(=O)OC(C)(C)C 201339540 ZLYHCNPCGSFLGW-UHFFFAOYSA-N 476.335 3.781 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H](CBr)O1 235360595 KZWVIYKHEXLKQA-SCZZXKLOSA-N 458.521 3.569 50 10 JHGE COc1ccccc1N1[C@H](c2ccccc2C)[C@@H]2C(=O)OC(=O)[C@@H]2C12C(=O)c1ccccc1C2=O 253567760 KKLIRTQMIMJBBV-DNVJHFABSA-N 467.477 3.699 50 10 JHGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747145 LJUSGDMLSFYGOY-UHFFFAOYSA-N 482.338 3.973 50 10 JHGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccnc1)CCC2 1772747765 UCJVHFIYRZTZGC-UHFFFAOYSA-N 460.490 3.882 50 10 JHGE CCCCCCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858961310 RMRBCOKDMYLEEP-UHFFFAOYSA-N 463.512 3.659 50 10 JHGE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866873451 RSIKACSOZNDTFY-HNAYVOBHSA-N 453.593 3.741 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cccc(Br)c2Br)[C@H]1Br 1910986761 SWSLGFKFMVPRAD-MWLCHTKSSA-N 455.972 3.882 50 10 JHGE O=S(=O)(NC[C@H](Br)CBr)c1ccc(Cl)c(Br)c1 2005152263 XGONBQGGRDCPTK-ZCFIWIBFSA-N 470.408 3.539 50 10 JHGE O=C(NCC[C@H]1COC[C@H]1Br)c1scc(Br)c1Br 2048665606 LWZHSLPUEAXTBI-NKWVEPMBSA-N 462.001 3.803 50 10 JHGE O=C(CBr)c1cc(S)c(I)c(I)c1 2060151273 SZAXRHFHGGJXQB-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H](F)[C@@H](CBr)C1 2086139992 WOIKDXOKYRZTHD-OIBJUYFYSA-N 490.936 3.859 50 10 JHGE BrC[C@H]1C[C@H]2[C@@H](C1)OCCN2c1ncc(Br)cc1Br 2135038518 GVDLADZDBJIWOV-KPXOXKRLSA-N 454.988 3.985 50 10 JHGE Clc1cc(CN2CCN3C[C@H](Br)C[C@H]3C2)ccc1I 2142949872 NASWXOUWADBOFZ-NEPJUHHUSA-N 455.565 3.598 50 10 JHGE C[C@H](NS(=O)(=O)c1ccc(CBr)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2162592273 SJDMSABPKDWRCW-GOEBONIOSA-N 461.422 3.895 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C12CC2 2164302778 RQLUWWHBNGZCQA-HNNXBMFYSA-N 459.406 3.649 50 10 JHGE CN(CP(C)(C)=O)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2198579188 KMMLVVZKGKUFFX-UHFFFAOYSA-N 451.092 3.684 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3C[C@H]3[C@H]2CBr)cc1Br 2199022195 HKXGVCQOXHHEDF-YGOYTEALSA-N 488.039 3.924 50 10 JHGE O=C(N[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1)OCc1ccccc1 2264024277 RHKOJRBBQLZHHO-GOSISDBHSA-N 467.385 3.661 50 10 JHGE COc1ccc([C@@H](Br)[C@H]2C[C@H](S(C)(=O)=O)C2)cc1I 2269776107 LXHJRNKDTZGXKP-GIPNMCIBSA-N 459.143 3.559 50 10 JHGE N#CC(=Cc1ccc(-c2cccc(-n3cnnn3)c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2297579132 RXICFDUJPZPYBN-UHFFFAOYSA-N 485.529 3.507 50 10 JHGE C[C@@H](Br)C1CCN(C(=O)c2c(Br)c(Br)nn2C)CC1 2338862133 WAWYUJJCQXTLIX-SSDOTTSWSA-N 457.992 3.581 50 10 JHGE CN(C1CCC(CCl)CC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364189919 GSOQKYIKWPAIEX-UHFFFAOYSA-N 455.020 3.902 50 10 JHGE CN(CC1CC(Br)C1)C(=O)[C@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370333015 RBVHXTNTQHANLG-BHDPWAOGSA-N 465.369 3.867 50 10 JHGE CS(=O)(=O)[C@H]1C[C@H](CO[C@@H](CI)c2ccc(Br)cc2)C1 2381028420 LUZLDRNCQBMJRK-BPNCWPANSA-N 473.170 3.765 50 10 JHGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2I)cc1 8905687 GMMQFRAYADTIGH-UHFFFAOYSA-N 466.319 3.819 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13979621 NRRZWILVPHPRLY-UHFFFAOYSA-N 468.735 3.681 50 10 JHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)c1 14041957 VPEXDZLKLBKGBB-UHFFFAOYSA-N 464.385 3.886 50 10 JHGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14650747 CUFQWEGKOPCCJW-UHFFFAOYSA-N 480.315 3.622 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1I 14654824 VWOGUSZYXWZMHS-UHFFFAOYSA-N 489.107 3.527 50 10 JHGE C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(Br)cc1 20368201 OXITVOUZFGZUMD-XQNSMLJCSA-N 478.412 3.699 50 10 JHGE O=C1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)SC(NNC(=O)c2ccccc2Cl)=N1 22707000 ICYQKAPOCKYFLS-AWEZNQCLSA-N 470.860 3.620 50 10 JHGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc2ccccc12 59246753 SHRWXXXQRDSGOD-JFLMPSFJSA-N 467.953 3.863 50 10 JHGE NNC(=O)c1ccc(COc2c(Br)cc(Br)cc2Br)o1 110555174 XVWGKQOFEJRTRP-UHFFFAOYSA-N 468.927 3.750 50 10 JHGE N#C/C(=C/Nc1ccccc1C(N)=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216502457 SVSDTPKYOQNYOZ-ATJXCDBQSA-N 465.557 3.539 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(N(C)C)cc1 252603474 FRZPBARHAULIOA-GOSISDBHSA-N 463.611 3.773 50 10 JHGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(F)c2)cc(OC)c1OC 254629852 LKMRPZDKMYQGMD-UHFFFAOYSA-N 452.438 3.835 50 10 JHGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1 256028251 BAQJNZDHYXOEFM-UHFFFAOYSA-N 483.619 3.695 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2ccc(I)c(Cl)c2)C1 388721739 JMDJBKPTDDYVNI-ZJUUUORDSA-N 458.521 3.569 50 10 JHGE O=C(Cl)c1nc(OC(F)(F)F)cc(I)c1I 396163738 VHDWDDKZHLINLO-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE CO[C@](C)(CBr)CNC(=O)c1ccc(I)c(Br)c1 721619507 HBENNVGXMJHEMS-GFCCVEGCSA-N 490.961 3.584 50 10 JHGE N#Cc1cccc(C(=O)NNC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1 728826458 IZJGHHASROGVBT-UHFFFAOYSA-N 455.243 3.722 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 1084625565 JIFDIBJPFVZKBF-UHFFFAOYSA-N 487.965 3.703 50 10 JHGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@H]1CCCN(C(=O)c2ccccc2)C1 1338275768 FAWWYEUTTBESND-QFIPXVFZSA-N 490.535 3.654 50 10 JHGE CCOC(=O)Cc1cc(OC(F)(F)F)c(I)c(CBr)n1 1848387586 GEIIMCHOAGKCKN-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCN(CC)c1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860773594 BGZMWPCKRCTLFI-IMVGLAPISA-N 451.596 3.894 50 10 JHGE Clc1ccc(I)c(CNCCOCCCI)c1 1997681359 BFBTTXPCRJKIRI-UHFFFAOYSA-N 479.527 3.876 50 10 JHGE O=C(c1ccc(Br)cc1I)N(CCCl)CCCl 2026219333 WEXZRWHCSQMPAA-UHFFFAOYSA-N 450.929 3.974 50 10 JHGE CO[C@H](CCBr)CNC(=O)c1ccc(I)c(Br)c1 2049491162 XAPAZVAEIKLPJU-SECBINFHSA-N 490.961 3.584 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCCC[C@H]1CBr 2089706368 ADIJMIFJPWQBIR-IRXDYDNUSA-N 485.444 3.574 50 10 JHGE C[C@@](CBr)(NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2145935433 ATCHQCVUBRPJGA-QFIPXVFZSA-N 493.423 3.683 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@@]2(CCN2S(=O)(=O)c2ccc(CBr)cc2)C1 2182212375 RCCGQUZBPNVDEM-RHDGDCLCSA-N 459.406 3.649 50 10 JHGE C[C@@H](Cl)C[C@H]1COCCN1C(=O)c1cc(Br)ccc1I 2185319286 PNZOGFQGYBIFTR-KOLCDFICSA-N 472.548 3.912 50 10 JHGE C=C[C@]1(CBr)COCCN1C(=O)c1ccc(I)c(Cl)c1 2199848589 NBLIGQNDFKSWDU-AWEZNQCLSA-N 470.532 3.737 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCCC[C@]2(CBr)C1 2238803654 VYMZJBMQFYKPRV-AOMKIAJQSA-N 497.455 3.526 50 10 JHGE CC1(C)OCCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CCl 2282811431 UXGXFBYAUCWUMW-GFCCVEGCSA-N 472.548 3.912 50 10 JHGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@@H]1COc2ccccc2O1 2314737317 XITLTPMCBMHJHY-VWLOTQADSA-N 470.481 3.664 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](NS(=O)(=O)c3ccc(CBr)cc3)C[C@H]12 2358003585 MLEIPQUSPRGJLW-FSDCSDTHSA-N 459.406 3.552 50 10 JHGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1C 109327323 BJAFWGXCFRKPJY-IQJJTXKVSA-N 454.615 3.907 50 10 JHGE CCN(CCBr)C(=O)c1cc(I)ccc1Br 233464689 JBNBNNFBNKUTFA-UHFFFAOYSA-N 460.935 3.911 50 10 JHGE CCOc1c(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cccc1OC 252632259 VRYRINKBFAOKDL-UHFFFAOYSA-N 467.547 3.967 50 10 JHGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Oc1cccc2cccnc12 254707061 LSJWHEKZWPZNDQ-OAHLLOKOSA-N 452.308 3.927 50 10 JHGE COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(C(=O)O)c1OC 254709083 AIZWDKPECDMNDR-UHFFFAOYSA-N 465.437 3.557 50 10 JHGE CCC[C@H](CBr)Cn1cnc(I)c1I 308553638 RDVPBOHJFZICFV-SSDOTTSWSA-N 482.929 3.904 50 10 JHGE CCCCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 832926894 HJHHOKDTXWJFIU-QFXXMJIKSA-N 457.571 3.956 50 10 JHGE C#Cc1cccc(N(CC(=O)NC)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)c1 1356486519 PQXYBQIIAJOFCC-PXLXIMEGSA-N 454.505 3.901 50 10 JHGE C/C(=C/C(=O)NNC(=O)COc1ccc(Br)cc1)c1ccccc1OC(F)F 1587666291 OYHPJZNRQFKQGM-BENRWUELSA-N 455.255 3.680 50 10 JHGE COc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2)cc(Br)c1OC 1772719683 LKNVXEBDCRDOBZ-UHFFFAOYSA-N 476.371 3.907 50 10 JHGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748527 RBSYUYYDLKQBNT-UHFFFAOYSA-N 458.305 3.855 50 10 JHGE CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1860569023 GBNTZBYKJRLSRF-UHFFFAOYSA-N 466.544 3.704 50 10 JHGE C=CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2ccc(F)c(F)c2)nc1C 1865757316 WZRDCYQAINYLNS-UHFFFAOYSA-N 453.445 3.740 50 10 JHGE CCCSc1ccccc1C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865845497 SZCDECARUFQLCE-AWEZNQCLSA-N 470.620 3.546 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](I)C1 1994509841 WODZZNXPACPRMK-SSDOTTSWSA-N 458.919 3.861 50 10 JHGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)s1 2123242980 DATDNNKFHGTOOK-QGZVFWFLSA-N 457.459 3.971 50 10 JHGE C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CCN(C(=O)OC(C)(C)C)C1 2162588477 GKPDHYRDNLTNOV-HOCLYGCPSA-N 461.422 3.895 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179868832 PLUSCLQNGYFJNL-IEBWSBKVSA-N 453.402 3.850 50 10 JHGE Cc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)c(C)c1 2296025131 SFXCKDKZZMKSIV-UHFFFAOYSA-N 453.549 3.761 50 10 JHGE COc1ccc(OCC(=O)NN=C2C(=O)N(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 2297747065 ZEKPDEJQUMXFFE-WHLCRQNOSA-N 490.604 3.799 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2CC[C@H](Cl)[C@H]1C2 2364216558 PAUMNAZUGVWBTD-LSTHTHJFSA-N 453.004 3.655 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@H]2Br 2380913977 FSIIASIKNBEGEI-OLMRKFRDSA-N 497.455 3.570 50 10 JHGE CCCc1ccc(OCC(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c(Br)c1 40960025 KWVPSKRDNPYADC-UFFVCSGVSA-N 466.288 3.553 50 10 JHGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc2c(c1)OCO2 59573788 YBJDNFZBQVXMON-AWPIWVIUSA-N 451.523 3.738 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1cccc(I)c1 100449456 DNIZWRWOWLONTG-CYBMUJFWSA-N 452.292 3.645 50 10 JHGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C(C)C)cc1 104622853 IOWHVXRTEAYHMM-OMSIWZRRSA-N 498.070 3.618 50 10 JHGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2sccc2C)cc1 254741602 CDTZHMNAHLOVBI-UHFFFAOYSA-N 455.605 3.749 50 10 JHGE CC(=O)N=C1C(=O)N([C@]2(C)C[C@H](N=C=O)CC(C)(C)C2)C(=O)N1[C@@]1(C)C[C@H](N=C=O)CC(C)(C)C1 257353273 QGBJKHLFSRPDNS-CIGPUBTKSA-N 485.585 3.542 50 10 JHGE O=C(CBr)c1cc(I)cc(F)c1I 306930923 CKZAEBWTRMQWJS-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 746183090 FVOWHYLSXKHKBA-UHFFFAOYSA-N 474.535 3.728 50 10 JHGE C/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1587357011 IWOKQWKCVDEXJI-YPKPFQOOSA-N 459.524 3.553 50 10 JHGE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)C(=O)NCC 1597277932 RSILTHFRPBZZDK-QFIPXVFZSA-N 450.539 3.552 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc(Br)c1O 1865689617 UJYHBXAYCKJVDJ-MRXNPFEDSA-N 453.296 3.782 50 10 JHGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c(C)c1 1865851464 CDTVQCTTWUHYQA-UHFFFAOYSA-N 488.569 3.552 50 10 JHGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NC[C@H]1C[C@@H](Br)C1 1877390961 XTBRRDXQESDELW-KSZLIROESA-N 455.393 3.776 50 10 JHGE CC1(C)CC[C@@H](Br)[C@H](CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1927094240 MIJOYMHSZIEPCA-MAUKXSAKSA-N 499.471 3.818 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2C[C@@]1(CBr)CO2 2033588277 YKEXWEXZBUKUOB-KSBSHMNSSA-N 459.985 3.652 50 10 JHGE O=C(c1scc(Br)c1Br)N1CC[C@@H](OCCBr)C1 2046754397 NJEPXNAAZDTVFG-SSDOTTSWSA-N 462.001 3.899 50 10 JHGE C[C@@H](Br)[C@H]1CN(C(=O)c2csc(Br)c2Br)CCO1 2053844998 KUGRYISUWOJRRF-HTRCEHHLSA-N 462.001 3.898 50 10 JHGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccn1 2179818543 AWWBTTNBWLYSSV-IBGZPJMESA-N 452.418 3.652 50 10 JHGE O=S(=O)(c1ccc(OCCCBr)cc1)N1CC[C@H](OCc2ccccc2)C1 2179831004 RFGJIQJFJBSZEO-IBGZPJMESA-N 454.386 3.830 50 10 JHGE Cc1ccc(C(=O)N2CCS[C@H](CCBr)C2)cc1I 2224626987 KQYLNEAQQXVIES-GFCCVEGCSA-N 454.171 3.942 50 10 JHGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2256641884 ZPWMHPASLYNFEZ-DEOSSOPVSA-N 492.768 3.522 50 10 JHGE CN1CCC[C@H]([C@@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2268283291 CCLZILUDEZNQCF-NEPJUHHUSA-N 478.577 3.805 50 10 JHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1 2268641563 BXFUGVODVLNKFL-MRDQGFSESA-N 486.377 3.567 50 10 JHGE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc(C(C)=CC#N)c1C 2331562182 PBWQINFHVLIBRH-OAHLLOKOSA-N 453.520 3.770 50 10 JHGE CC1(C)C[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338842055 FLOBFLMTMJHTCD-INIZCTEOSA-N 485.444 3.811 50 10 JHGE COc1ccc(Br)cc1S(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 2343788502 RASCFFPMPJRIOQ-INIZCTEOSA-N 462.793 3.950 50 10 JHGE Clc1ccc(I)cc1CN1C[C@@H]2CCO[C@]2(CBr)C1 2352430277 SHCYNVQIYZXHTB-SMDDNHRTSA-N 456.549 3.930 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CCC2)C[C@H]1CBr 2364215004 IHAPJMKYSWQZIP-KRWDZBQOSA-N 497.455 3.812 50 10 JHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@H]2CCC[C@@H]21 2367698491 LBDXAQHLBXODMB-IRXDYDNUSA-N 459.406 3.744 50 10 JHGE Cc1ccc(C)c(O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 14008560 XPJFWIJABGLLCB-CQSZACIVSA-N 452.338 3.944 50 10 JHGE Cn1cc(Br)c(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2)n1 20428346 DHYBNCGCXDIYHC-LSHDLFTRSA-N 461.703 3.819 50 10 JHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815702 CKGRBZNLEZQUOV-TURZUDJPSA-N 459.502 3.646 50 10 JHGE CN1C(=O)Cc2ccc([C@H](Br)c3csc(I)c3)cc2C1=O 124436311 GVGBREOHJATCJU-AWEZNQCLSA-N 476.133 3.992 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)/C(=C\c2ccccc2)CCO)cc1 263632124 DNLVEBPHUQACMY-DWILUJJESA-N 464.543 3.679 50 10 JHGE O=C(CCBr)c1ccc(I)c(I)c1 306938674 NESIFCQGNGWIRD-UHFFFAOYSA-N 464.866 3.864 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2scnc2Cl)C1 721329398 JYUHMJFHGONYHF-MRVPVSSYSA-N 451.633 3.550 50 10 JHGE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 727390933 AWTRFQSRIZTHGY-XESZTULISA-N 480.565 3.926 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c(-c2ccccc2)n1 812501542 CCBREXVZDHWYTM-HVUZKSCUSA-N 476.496 3.591 50 10 JHGE Cn1cc([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)nc1Br 829353225 ATZANHIVAWZJPC-GFCCVEGCSA-N 463.955 3.924 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 1084229072 VVTAWOCHPVSGQP-UHFFFAOYSA-N 469.538 3.960 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccccc1[N+](=O)[O-] 1084508225 RZEGCOVOBPUUGN-UHFFFAOYSA-N 485.957 3.880 50 10 JHGE CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)CSc1nnc(N3CCCC3)n1Cc1ccco1)C2 1087088107 XBGWUZDHJGYEJI-QMHKHESXSA-N 456.616 3.930 50 10 JHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750582 DQZHLKIPXVAMMF-UHFFFAOYSA-N 450.470 3.720 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@](F)(CBr)C1 1917122961 NMKQQSLRZZANFW-LLVKDONJSA-N 479.991 3.709 50 10 JHGE C[C@H](NC(=O)c1ccc(Br)cc1I)[C@@H](C)Br 1995285836 LIMPWFZUCSGZNU-RQJHMYQMSA-N 460.935 3.955 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)[C@@H](Br)C1 2019466698 RKTNZZGPEUGYLG-YUMQZZPRSA-N 493.364 3.927 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2cccc(Br)c2Br)C1 2109021877 SUBHXEPMWFYYBT-BDAKNGLRSA-N 455.972 3.836 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC2(CC[C@H]1CBr)CC2 2154169419 XBNLXNSMOHZEBU-NSHDSACASA-N 450.114 3.777 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCS[C@H](CCBr)C2)c1 2232153789 RROVPUHDZKYQLS-LLVKDONJSA-N 454.171 3.942 50 10 JHGE BrC[C@@H]1CO[C@H]2CN(Cc3cc(Br)ccc3Br)C[C@@H]2O1 2279871254 QHOFZBBXSXUUFT-XBFCOCLRSA-N 469.999 3.575 50 10 JHGE CN([C@H](CBr)c1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2296314480 PFLGEAOZBZCEDE-LJQANCHMSA-N 493.423 3.707 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 2314785146 UTZLSUZLQNSONR-UHFFFAOYSA-N 450.535 3.947 50 10 JHGE C[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(C)(C)CBr 2316824406 LOUHRRYDJKJRPR-OAHLLOKOSA-N 473.433 3.572 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2358643733 UWCKCNFYQKNLER-YQQAZPJKSA-N 459.406 3.505 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@H]1CCCC[C@@H]1Cl 2364213044 DHFIUORXTUNQEW-XLIONFOSSA-N 455.020 3.950 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779706 OTGXQIAJYONXCC-UHFFFAOYSA-N 462.127 3.670 50 10 JHGE N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 33248186 YANVXYNPTJOJLW-LCYFTJDESA-N 472.866 3.701 50 10 JHGE CC(C)(C)OC(=O)NC[C@]12C[C@H](CCN1S(=O)(=O)c1ccc(CBr)cc1)C2 2366386476 KJIPRHZPHBNIAF-GLRZTSSQSA-N 459.406 3.649 50 10 JHGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)c(O)c3)n2-c2ccccc2)cc1 254839569 AMSLRYGCIDRPIP-UHFFFAOYSA-N 459.531 3.896 50 10 JHGE Cc1cc(Br)c(OCC(=O)NN=Cc2c(C)cc(O)cc2O)c(Br)c1 252622038 NNGXPYGCXZKQIW-UHFFFAOYSA-N 472.133 3.769 50 10 JHGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727365584 VIZIUQCMQXRHQP-HXUWFJFHSA-N 488.588 3.719 50 10 JHGE Cn1c(CC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)nc2ccccc21 727722763 OJRYPNSQCPWDRV-UHFFFAOYSA-N 484.491 3.797 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1 1084474359 VDMDKNZTZRCUOZ-IBGZPJMESA-N 478.929 3.565 50 10 JHGE C#CCOc1ccccc1CNC(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 1312003906 SYGSQYUUDNBPPL-UHFFFAOYSA-N 459.531 3.552 50 10 JHGE CC(=O)N/C(=C/c1cccs1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1538622591 NAJUAZCODQPVJX-LFIBNONCSA-N 456.351 3.539 50 10 JHGE CC(C)(CBr)NC(=O)c1cc(Br)ccc1I 232522503 FEQPXKFEJRFSPX-UHFFFAOYSA-N 460.935 3.957 50 10 JHGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13980067 QFFWVEBXBZBVJX-UHFFFAOYSA-N 484.921 3.630 50 10 JHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1 14037309 PHOKQBXQPNITCN-UHFFFAOYSA-N 464.385 3.823 50 10 JHGE Cc1cccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)c1C 14668294 ZIWNUWJEUVGHID-UHFFFAOYSA-N 463.372 3.969 50 10 JHGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 206610423 WDOPNCLISSRSHJ-ZROIWOOFSA-N 470.551 3.903 50 10 JHGE CCN(CCOCCCl)C(=O)c1ccc(Br)cc1I 2142284660 GGOXWERGQBAKML-UHFFFAOYSA-N 460.537 3.771 50 10 JHGE Clc1cc(CN[C@@H]2CCCN(CCBr)C2)ccc1I 2142948643 CGKALYZMFWBGFD-GFCCVEGCSA-N 457.581 3.894 50 10 JHGE O=C(NC[C@@]1(CBr)CCCO1)c1c(Br)cccc1Br 1879596362 RJTWWTFDXXYRPP-ZDUSSCGKSA-N 455.972 3.886 50 10 JHGE O=[N+]([O-])c1cnccc1-n1nc(CBr)c(I)c1C(F)(F)F 2078924330 XLZQSAQJJSIKCU-UHFFFAOYSA-N 476.978 3.694 50 10 JHGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)n(C)c1 2179807948 BLLUMZXNERSUJI-OALUTQOASA-N 455.418 3.924 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179818460 ZYFFNNTUODRENJ-MSOLQXFVSA-N 453.402 3.626 50 10 JHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C#N)CC1 2248900997 HVNJZCUSFVXXEZ-XMMPIXPASA-N 461.562 3.817 50 10 JHGE CN1CC(C)(C)[C@@H]1CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2298944916 HUHKMSWAFKVAKO-KBXCAEBGSA-N 452.377 3.548 50 10 JHGE Brc1cc(CN2C[C@@H](Br)[C@H]3COC[C@H]32)ccc1I 2325227016 WAVNMICXLRDGRT-IRUJWGPZSA-N 486.973 3.648 50 10 JHGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cc(Br)cc(OC)c3O)nc2c1 2331046426 VNGAYAZCDQPLPJ-UHFFFAOYSA-N 456.252 3.663 50 10 JHGE C[C@@H]1CC[C@@H](CBr)CN1C(=O)c1c(Br)c(Br)nn1C 2338675061 UQZJOWFJJCLDHY-SFYZADRCSA-N 457.992 3.581 50 10 JHGE CC[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338839379 AREZTOMNYRIUOC-VQIMIIECSA-N 485.444 3.668 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1C 12490078 YVLPYBBPQUMLRS-UHFFFAOYSA-N 476.371 3.628 50 10 JHGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1I 14040214 VVAGRDJMNHHFKF-CYBMUJFWSA-N 482.318 3.652 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cn1ccc2ccccc21 14776639 HWYJYCYHGILDHF-UHFFFAOYSA-N 489.395 3.528 50 10 JHGE CCOc1ccc(N2C(=O)/C(=C/NNC(=O)CN3CCCc4ccccc43)c3ccccc3C2=O)cc1 38183828 ISZAESFDXBTYES-XIEYBQDHSA-N 496.567 3.687 50 10 JHGE O=C(NCCCOCCBr)c1cc(Br)ccc1I 230774869 LTZWYKCVIDZMQK-UHFFFAOYSA-N 490.961 3.585 50 10 JHGE O=C(NCCCI)c1cc(Br)sc1Br 232485057 BOSYZFJEBQGHPZ-UHFFFAOYSA-N 452.937 3.828 50 10 JHGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=Cc2ccc(OC)cc2OC)cc1 254573693 UYARJUFNHQOCKH-UHFFFAOYSA-N 483.546 3.667 50 10 JHGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)cc1 254740500 TXLWGQLRLHRHAF-LSKRWQLQSA-N 487.512 3.802 50 10 JHGE O=C(NN=Cc1ccc(F)cc1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NN=Cc1ccc(F)cc1 254875249 YPGQFIDQSMSFQT-UHFFFAOYSA-N 477.427 3.557 50 10 JHGE FC(F)(F)Oc1cnc(I)c(I)c1CCl 396188678 YNUWQNFEJKNNDB-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C1CCCCC1 725090245 VYICNPWVPFMPFW-LJQANCHMSA-N 499.471 3.962 50 10 JHGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2c[nH]c3cc(Cl)ccc23)c1 726979808 MVZNHRDEWWNNHR-UHFFFAOYSA-N 498.948 3.706 50 10 JHGE COc1cccc(N2CC[C@H](NC(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)C2)c1 728221035 MVEWYKNSLSJLIO-FQEVSTJZSA-N 478.524 3.636 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCc2ccc(Cl)s2)cc1 782543599 FTUNKVJXTZZZCO-XNTDXEJSSA-N 470.938 3.799 50 10 JHGE C=CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H]1CCS(=O)(=O)C1 1125953173 AXTLDMBWYCTCIM-JJEHFPDLSA-N 457.983 3.856 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)C[C@H]21 1260509437 ZYPCVGHGOMVNOV-USXIJHARSA-N 459.406 3.505 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 1671099718 XNYUMVSXPRAURF-AWEZNQCLSA-N 456.499 3.696 50 10 JHGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)CSc1ccccc1O 1672708277 JIPFZCQKWCZIEM-UHFFFAOYSA-N 452.330 3.665 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCn3ccc4ccccc43)c(C)n2)cc1OC 1865759403 YPJSVVLNWVQEDT-UHFFFAOYSA-N 458.518 3.880 50 10 JHGE COc1ccc(-c2ccc(C(=O)N/N=C(/C)c3ccc(S(C)(=O)=O)cc3)c(C)n2)cc1OC 1865763619 USBDMIGONKJFTN-YSMPRRRNSA-N 467.547 3.632 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2csc(Br)c2Br)[C@@H]1Br 2078736168 CVBPTYHTMYYPFB-SVRRBLITSA-N 462.001 3.944 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2163293174 ZTSSUYWQCCIGAJ-POYBYMJQSA-N 457.131 3.705 50 10 JHGE COc1cc(CBr)ccc1S(=O)(=O)N(C)[C@@H]1CC[C@H]1OCc1ccccc1 2179859067 XVZMMQPGCQUYNE-QZTJIDSGSA-N 454.386 3.958 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234716655 XPFHCYCWJYAJEH-HDICACEKSA-N 453.402 3.911 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@]21CC[C@](C)(CI)O1 2249355641 KAYLYFOCNRYBHV-AYMSOESYSA-N 451.345 3.679 50 10 JHGE C[C@H](NC(=O)C(C#N)=C1NC(=NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccccc1 2296842987 UUOIKDIGKPZKIH-INIZCTEOSA-N 465.469 3.897 50 10 JHGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)NCc4ccccc4)cc3)nc2s1 2297350766 QAGAWNAOUBNUBB-UHFFFAOYSA-N 471.542 3.516 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C=Cc1cccs1 2313619966 FBLAHWHMDQYCTO-UHFFFAOYSA-N 474.174 3.821 50 10 JHGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 2331325363 QAXHERFYWUUECY-UHFFFAOYSA-N 492.469 3.824 50 10 JHGE C[C@H]1CC[C@@](CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338850340 RDBNKMQEXFNGCS-HRAATJIYSA-N 485.444 3.716 50 10 JHGE ClC1[C@H]2COC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349825145 PRECSFJAEMVJAL-GHMZBOCLSA-N 456.549 3.739 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)CCC1(F)F 2378144658 PEELVKRUDGVAKF-GDZNZVCISA-N 455.340 3.581 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CCC2(CCOCC2)N(C[C@]2(CBr)CC2(F)F)C1 2379985200 PZBBKBAKMYNOTH-WMLDXEAASA-N 453.368 3.945 50 10 JHGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Cl 14668638 KNXNIQGRXJGEMX-UHFFFAOYSA-N 470.776 3.839 50 10 JHGE COc1ccccc1OCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669707 RETLFKFVMIBAEE-UHFFFAOYSA-N 499.361 3.919 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1cn(C)nc1C 20291377 SEVKPNFEENQIFJ-LGJNPRDNSA-N 474.594 3.514 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38650298 UWSKTQCHGVPOAU-VWLOTQADSA-N 458.470 3.906 50 10 JHGE O=C(NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40648736 ZINFWXVXGBGVHP-UHFFFAOYSA-N 463.332 3.812 50 10 JHGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N(CC#N)CC#N)c(C)c43)coc2c1C 40826694 IVVYAYMEMRZPDK-ZTKZIYFRSA-N 471.517 3.840 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1O 59433662 XOMKRXYQOGZMLD-MDWZMJQESA-N 463.275 3.617 50 10 JHGE COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)cc(OC)c1O 66200721 ZLPLSICLNNSBRS-FOKLQQMPSA-N 459.296 3.854 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611484 FALQFNDVDKWNMN-ZXVVBBHZSA-N 494.935 3.552 50 10 JHGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237132 FIVYBULYRIGAGS-PEZBUJJGSA-N 490.320 3.907 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1Br 235616111 OUHNEFHYIZUVKJ-WPRPVWTQSA-N 455.972 3.836 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccnc3)n2-c2ccccc2)cc1 254709836 FDNAGDPSHDSNIV-UHFFFAOYSA-N 458.547 3.970 50 10 JHGE COc1cc(I)c(I)c(CBr)c1 307440954 YRRCZYLTHBYOQQ-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE O=C(c1ccc(F)cc1I)N1CCSC[C@H]1CCBr 689280612 SIYKTQPXOHDAKE-SNVBAGLBSA-N 458.134 3.773 50 10 JHGE Cc1ccc(NNC(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1 727476138 NHGGCJRERGYPKK-UHFFFAOYSA-N 450.509 3.637 50 10 JHGE C=CCn1cc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cn1 1084344346 DLORIPSUXSZJRN-UHFFFAOYSA-N 472.578 3.504 50 10 JHGE C/C(=C\C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 1635244771 LLAUBIIHWCMDDI-WSYSLRRZSA-N 455.477 3.903 50 10 JHGE O=S(=O)(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)C1CC(OCc2ccccc2)C1 1877514762 VIQLXZYAJRNDHG-CKUJCDMFSA-N 456.324 3.617 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCCOCCOCc2ccccc2)C1 1881765230 QKUSHEGANIRPJZ-ROUUACIJSA-N 491.366 3.659 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@]2(CCC[C@H](CI)O2)CC12CCOCC2 1949510065 FBEPDJLIJQVQNO-RDTXWAMCSA-N 451.345 3.919 50 10 JHGE CCCCCC[C@@H]1[C@H]([C@H](O)C(=O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(OC)OC3=O 2080449659 PEDOLCOCDBKJNH-LKEIJDRBSA-N 488.577 3.555 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC2(CC[C@@H]1CBr)CC2 2154165721 FFIVDXVIGBIAQP-LLVKDONJSA-N 450.114 3.777 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179826449 SCGOTICTPSJSES-UXHICEINSA-N 455.462 3.868 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295310918 DFTAANFQZVCQST-STQMWFEESA-N 469.999 3.765 50 10 JHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296729543 WWLHVOYEBQZQKR-XMMPIXPASA-N 482.565 3.903 50 10 JHGE CC(C)(CCCBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338849165 DWKXWIAQMMSIIE-UHFFFAOYSA-N 487.460 3.964 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC12CCC(CBr)(CC1)C2 2364230748 QIXMBYHXJYSCRQ-UHFFFAOYSA-N 470.003 3.773 50 10 JHGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)/C=C/c1ccccc1Cl 14031820 OBDGWWSISCYSLF-FQNOHDAGSA-N 453.951 3.996 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1 17518422 DMJIGGNVBVLFAL-UHFFFAOYSA-N 466.588 3.945 50 10 JHGE COc1ccc(C(=O)COC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1OC 22207308 FLIIFSRQMZJJLC-LYCWOWIHSA-N 452.507 3.634 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccccc1F 38651916 AINHNHVUQZYYNM-HSZRJFAPSA-N 461.405 3.936 50 10 JHGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4ccccc4[N+](=O)[O-])c3[N+](=O)[O-])sc2c1 40650506 VSAXWTSQDVNTJV-UHFFFAOYSA-N 466.439 3.712 50 10 JHGE O=C(N/N=C(\CC(=O)C(F)(F)F)c1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 102924097 PWEMWCZLHHNJKV-LGUFXXKBSA-N 481.496 3.517 50 10 JHGE COc1cc([N+](=O)[O-])ccc1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217253862 QMWNHGLAAVLUNG-BENRWUELSA-N 478.246 3.975 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCS[C@@H](CBr)C1 720087997 WJEVEULYNDNIRR-VIFPVBQESA-N 460.562 3.897 50 10 JHGE CC(=NNC(=O)CCc1ccco1)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 748140815 UXMIWXARBSCZPL-QFIPXVFZSA-N 459.506 3.514 50 10 JHGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 916244332 SJIGFBJQUKEJJB-UHFFFAOYSA-N 479.445 3.604 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)c(-c2ccccc2)n1 918640980 ADIXPCJWXCOXRX-VOMPUTFMSA-N 457.456 3.941 50 10 JHGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 1084101753 WIEFGQRWTULMCM-UHFFFAOYSA-N 479.558 3.574 50 10 JHGE C[C@@H](Oc1ccc(C=NNC(=O)c2cc(Br)cc(Br)c2O)cc1)C(=O)O 1084321710 CCBHPMDQRCKXJH-SECBINFHSA-N 486.116 3.533 50 10 JHGE C[C@@H]1CCC(C(=O)Nc2cccc3ccccc23)=C2NC=C(C(=O)N/N=C/c3ccccc3)C(=O)N21 1088707334 DQYSHLSSMPVQAY-AASYHSMQSA-N 479.540 3.638 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N(C)C)c(C(F)(F)F)c2)cc1 1206403614 JOPHEUPVZYHALK-ZDUSSCGKSA-N 452.433 3.594 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2nn(-c3cc(Cl)ccc3F)c3c2CCC3)c1 1637299050 HFQXOHXPBKGART-UHFFFAOYSA-N 453.930 3.766 50 10 JHGE C=CC(=O)N1CCC(C(=O)NNc2ccc(OC)cc2Br)(c2ccccc2)CC1 1637327076 ABIUHMFCGMUOGT-UHFFFAOYSA-N 458.356 3.647 50 10 JHGE COc1ccc(OCCNC(=O)[C@@H](Br)Cc2ccccc2Br)cc1 1858180977 BFJWNENBFFWLKS-KRWDZBQOSA-N 457.162 3.959 50 10 JHGE O=C(N[C@H]1C[C@@H]1CBr)c1ccc(I)c(Br)c1 1975552299 HSYHQFXRUGTGRJ-XCBNKYQSSA-N 458.919 3.567 50 10 JHGE CCN1CC[C@H]([C@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2089524077 RUGOSTMBKDSNSJ-VXGBXAGGSA-N 478.577 3.805 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)C2(CCCCC2)C1 2174372228 WBLDBPDSQPRYPN-IBGZPJMESA-N 497.455 3.812 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](CCl)OCC12CC2 2183979773 OLLNGFQVNUHAMC-SNVBAGLBSA-N 470.532 3.666 50 10 JHGE CC1=C(C#N)C(=O)N(C)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 2297533403 OSJRUHSLKMFBON-UHFFFAOYSA-N 472.526 3.775 50 10 JHGE CC(C)C[C@H](CBr)CN=[S@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2353831355 RUMDCOTWSUHYQE-DXPJPUQTSA-N 454.475 3.999 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@]1(CBr)CC12CCC2 2364214757 HMJGOGNQBIRGME-JOCHJYFZSA-N 497.455 3.718 50 10 JHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 10154131 NPAYCOKEIJRSEQ-GOSISDBHSA-N 457.596 3.975 50 10 JHGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OC 14668251 GJTTWUCREXPUSE-UHFFFAOYSA-N 465.344 3.604 50 10 JHGE CCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(C)ccc21 38180198 YTDCQHQPPOOSJM-SLMZUGIISA-N 499.409 3.935 50 10 JHGE COc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40649476 NAQBQWQUXDQSIJ-UHFFFAOYSA-N 459.260 3.656 50 10 JHGE C=CCOc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 58889639 GFSSUZGRQURALG-GFHXCNCHSA-N 464.303 3.820 50 10 JHGE O=C(NC1(CBr)CCOCC1)c1ccc(I)c(Cl)c1 230746688 DUTUUJPVVJUKPU-UHFFFAOYSA-N 458.521 3.619 50 10 JHGE Cc1c(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cnn1C 252600891 DVEGZTNWEPHPKM-UHFFFAOYSA-N 484.216 3.917 50 10 JHGE CO[C@@]1(CBr)CCCN(C(=O)c2cccc(C)c2I)C1 401894591 JDMKHDKCROOBGJ-OAHLLOKOSA-N 452.130 3.616 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2c[nH]c3ccccc23)nnc1-c1ccccc1Br 1084024985 OFHVLZSQSWXTCD-UHFFFAOYSA-N 498.410 3.925 50 10 JHGE O=C(Cn1nnc2ccccc21)NN=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1084513956 UNDODVLEFSEBAM-UHFFFAOYSA-N 479.327 3.805 50 10 JHGE Cc1cc(C(=O)NNC(=O)c2c[nH]c3cc(Br)c(Br)cc23)c(C)o1 1087783050 LNMQTDQVFKAMDU-UHFFFAOYSA-N 455.106 3.978 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)c1 1176937689 SESLNJJNGSOAFN-KRWDZBQOSA-N 450.564 3.915 50 10 JHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)cc1 1772747504 CQNFIXSVIAWVGP-UHFFFAOYSA-N 460.486 3.993 50 10 JHGE CCOC(=O)Cc1cnc(I)c(CBr)c1OC(F)(F)F 1848387552 DLCZNLJFQLDLHA-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE O=C(NC[C@H]1C[C@@H]1CBr)c1cc(I)ccc1Br 2005982355 PQVZLGCQERRJKR-HTQZYQBOSA-N 472.946 3.815 50 10 JHGE CS(=O)(=O)c1ccc(-n2nc(CBr)c(Br)c2C(F)(F)F)cc1 2079238087 ACOXKFRZNVRNGT-UHFFFAOYSA-N 462.085 3.952 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)c(Br)s1 2122370201 RVQIRZRRUPUZGX-HTQZYQBOSA-N 475.044 3.813 50 10 JHGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(CCBr)cc2)CC1 2179776466 UMMFNHNVZWQDDO-UHFFFAOYSA-N 451.430 3.909 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC2(C3CCC3)COC2)CC1 2250811707 AAHDOPFCDYZBMJ-UHFFFAOYSA-N 451.345 3.777 50 10 JHGE CN1CC(C)(C)[C@H]1CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2298944917 HUHKMSWAFKVAKO-KDOFPFPSSA-N 452.377 3.548 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccccc2)cc1OC 2314736930 BWKPLKXLOYIPBC-UHFFFAOYSA-N 472.497 3.912 50 10 JHGE CCc1nn(C)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1Br 2320362017 RWLGAMJSDJLCKF-AWEZNQCLSA-N 473.209 3.845 50 10 JHGE C[C@@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CCN1Cc1ccccc1 2325588858 VDCWYKOCRIUYIO-WZONZLPQSA-N 483.700 3.990 50 10 JHGE CC(C)[C@H]1C[C@@](C(=O)O)(N(C)C[C@@H]2C[C@H]2Br)CN1C(=O)OCc1ccccc1 2326062687 BNYJDZKSESDIGN-XKGFGPFHSA-N 453.377 3.592 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)C(F)(F)CC1 2364021092 YQJMQPOBNZXXJQ-LURJTMIESA-N 479.945 3.580 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2364191842 XNYFSFCUHPGRLN-KNTRFNDTSA-N 497.455 3.715 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CCl)CC2(CCC2)C1 2364202271 QLNVERLSGZYYJT-UHFFFAOYSA-N 453.004 3.704 50 10 JHGE CCn1nc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)c2ccccc2c1=O 17189163 XMXAFSOFVKULRU-UHFFFAOYSA-N 492.539 3.652 50 10 JHGE CCn1cc(C(=O)N/N=C/c2ccc(O)cc2)c(=O)c2cc(F)c(N/N=C/c3ccc(O)cc3)cc21 20215222 NTKABZMUKATFJP-JOFLXYQRSA-N 487.491 3.782 50 10 JHGE O=C(CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1)NNC(=O)c1ccc(Cl)cc1 20924010 AMYFBFIWPUXMML-WYMPLXKRSA-N 479.953 3.611 50 10 JHGE Cc1ccc(C(=O)NNc2ncnc(Nc3ccc(I)cc3)c2[N+](=O)[O-])cc1 40649280 MBPDQSMTMRJPIQ-UHFFFAOYSA-N 490.261 3.798 50 10 JHGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccncc3)nnc2-c2ccccc2)cc1 254489864 JTFGXHNKZCSTLB-UHFFFAOYSA-N 458.547 3.970 50 10 JHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 254743852 LUWCOIQBXUIMPI-VTHNMRBLSA-N 485.540 3.974 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCC#N)c(Br)c2)cc1 1084013897 NVUVSDIFMTXXPD-IBGZPJMESA-N 460.328 3.714 50 10 JHGE COc1ccccc1C=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 1084525880 QOCKWFHWXGTDIO-UHFFFAOYSA-N 451.548 3.658 50 10 JHGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@H]1C[C@H]1c1cccc(Br)c1 1116006154 FGVKGAIEWVFEFP-GJZGRUSLSA-N 453.134 3.712 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(COCc3ccco3)c2)cc1 1214733294 ZHHOSFIIJDDRHP-QGZVFWFLSA-N 451.479 3.819 50 10 JHGE CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)c1C(C)C 1538443503 UWYIXNVGCJWLJY-CYBMUJFWSA-N 450.333 3.640 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)c1 1865852373 UKGAJOKGIQMHCH-SJLPKXTDSA-N 480.634 3.931 50 10 JHGE CSCC[C@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866885695 QMDHVJHOBQZRLO-SFHVURJKSA-N 498.051 3.563 50 10 JHGE CN(CC1CC(Br)C1)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1893148614 RKLQUCHRLNINGT-ABHNRTSZSA-N 455.393 3.728 50 10 JHGE CN(C[C@H](Br)COCc1ccccc1)C(=O)Cc1cnn(Cc2ccccc2)c1 1916392779 BWPJUXWHZJLXOC-QFIPXVFZSA-N 456.384 3.913 50 10 JHGE C[C@@](CBr)(NC(=O)c1ccc(F)cc1I)C(F)(F)F 2105103801 JZGAXZLKBSPHJY-JTQLQIEISA-N 453.999 3.876 50 10 JHGE O=S(=O)(c1ccc(CBr)s1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2123268241 KYUPSPRFGZASDO-DLBZAZTESA-N 455.443 3.786 50 10 JHGE CCn1cc(S(=O)(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179786017 UKGLOQNJNMSMEK-GOSISDBHSA-N 454.434 3.546 50 10 JHGE O=S(=O)(c1ccsc1CBr)N1CCCN(Cc2ccccc2)CCOCC1 2179869164 UGNHGPWHEAQEBA-UHFFFAOYSA-N 473.458 3.556 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1F)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188880989 BGODSZXBYUAIOF-IEBWSBKVSA-N 453.377 3.616 50 10 JHGE O=C(N[C@H](CCl)C[C@@H]1CCOC1)c1ccc(Br)cc1I 2207264226 CJSAUFDMTGLBSL-ONGXEEELSA-N 472.548 3.818 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[C@H]1Br 2221685046 ZRZQRMXWZFWDRF-BPLDGKMQSA-N 476.209 3.785 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2OCC[C@]2(CBr)C1 2296369458 LBXWZCPCPJHMQZ-FZMZJTMJSA-N 467.983 3.838 50 10 JHGE CC(C)N(CCOCCI)CC1CCN(C(=O)OC(C)(C)C)CC1 2306801560 HOWKSGHYNWQJAW-UHFFFAOYSA-N 454.393 3.796 50 10 JHGE CCCOc1c(OC)cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc1OC 2328821163 VSFZTCBOHZCXOS-KXBFYZLASA-N 451.564 3.882 50 10 JHGE C[C@H]1[C@H](C)N(C(=O)c2c(Br)c(Br)nn2C)CC[C@H]1Br 2344524061 SISDIZRPVQUOKK-BIIVOSGPSA-N 457.992 3.579 50 10 JHGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1c(Br)c(Br)nn1C 2364019702 VWURJXJURYPMGE-UYVLXELHSA-N 470.003 3.866 50 10 JHGE O=C(COc1ccccc1)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642117 DLXFUYKHXZPVPS-UHFFFAOYSA-N 455.308 3.721 50 10 JHGE COc1ccc(C(=O)NNC(=O)CSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)cc1 15565845 SPORTWTWGYXQFR-UHFFFAOYSA-N 492.601 3.849 50 10 JHGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1cc(O)ccc1O 20115283 GFPIWHWPPYUBEH-JMIUGGIZSA-N 472.133 3.850 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 40814917 MJQMPYYFNUQNMR-LFVJCYFKSA-N 496.436 3.533 50 10 JHGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCN(C)CC5)c(C)c43)coc2c1C 40826690 DGDUTKLQUYAEMN-SGWCAAJKSA-N 476.577 3.738 50 10 JHGE CCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCCOC)cc1OC 207004011 UBJUYUULUAHCTH-CLQWXRQJSA-N 464.518 3.772 50 10 JHGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 254855867 IYYHNTQXLHZOSM-UHFFFAOYSA-N 454.534 3.689 50 10 JHGE FC(F)(F)Oc1cc(I)c(CCl)nc1I 396178366 ITIMEDBCJZMMQV-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE O=C(Cl)c1nc(I)cc(OC(F)(F)F)c1I 396182161 PNAQURCZZUKBBE-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1)NCCc1ccccc1 725428615 KLTANFXERRHVAF-UHFFFAOYSA-N 494.551 3.666 50 10 JHGE Cc1cc(C)cc(OCC(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)c1 1083862927 UGXBPYPQYKOEHZ-UHFFFAOYSA-N 458.474 3.658 50 10 JHGE C/C(=C\C1CCC(C)CC1)C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1135757947 BMDBALQZMUAPMA-KNTRCKAVSA-N 458.562 3.978 50 10 JHGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1865851475 CILRFEHYCCBWQL-QGZVFWFLSA-N 490.585 3.863 50 10 JHGE CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1 1866128267 GKWKMJVLPSRZLW-DTQAZKPQSA-N 460.943 3.674 50 10 JHGE O=C(NCc1cc(CCl)no1)c1ccc(I)c(Br)c1 1925811648 HLSVGKLZHJSCCZ-UHFFFAOYSA-N 455.477 3.711 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@@H](CBr)C1CC1 1955955329 DCMRWXPUJRYRLI-MRXNPFEDSA-N 464.445 3.759 50 10 JHGE CCCCOCCOCCO[C@@](C)(CI)CNC(=O)OC(C)(C)C 2010595395 VSMZJJPMUVRCOI-KRWDZBQOSA-N 459.365 3.555 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2C[C@H](n3ccnc3)C2)CC1 2063758784 VOBKPRZLLFTJMA-SHTZXODSSA-N 461.344 3.808 50 10 JHGE Brc1ccc(Br)c(CN2CCN3C[C@H](Br)C[C@H]3C2)c1 2118520696 XGGDZUUMMDLMFE-OLZOCXBDSA-N 453.016 3.865 50 10 JHGE CN(C(=O)c1ccc(I)c(O)c1)[C@H](CCBr)C(F)(F)F 2178515512 MMNMJEFTRAIEGS-SNVBAGLBSA-N 466.035 3.785 50 10 JHGE CCn1cc(S(=O)(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179786018 UKGLOQNJNMSMEK-SFHVURJKSA-N 454.434 3.546 50 10 JHGE Cc1cc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc(CBr)c1F 2179861634 KGYHYTGBRLPSKK-SFHVURJKSA-N 455.393 3.924 50 10 JHGE O=C(NC[C@H]1CC[C@H](CCl)CO1)c1ccc(Br)cc1I 2279410321 RHJVUBMUWQPMPW-MWLCHTKSSA-N 472.548 3.818 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCl)CC(C(C)(C)C)C1 2289833823 FMFAPJKAVNIOKK-UHFFFAOYSA-N 455.020 3.662 50 10 JHGE N#CC(=Cc1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1)c1ccccc1 2320506719 QCDLHFSARQKZGX-UHFFFAOYSA-N 474.538 3.991 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCC[C@@H]1NC(=O)OC(C)(C)C 2325591083 KHYNHHAYCCQUDF-YCRPNKLZSA-N 493.692 3.773 50 10 JHGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(Cl)c3)sc2c1 2329687461 XHUZJNVWLIUFIZ-UHFFFAOYSA-N 458.952 3.960 50 10 JHGE C[C@H](Br)CN(C1CCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338833669 OZWYYGQCFVNTKT-INIZCTEOSA-N 485.444 3.811 50 10 JHGE COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 2239775 APIHRCXYCJTAMY-DEOSSOPVSA-N 473.529 3.643 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 12483100 NUTOUFBAUDVMSU-UFWORHAWSA-N 471.105 3.957 50 10 JHGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 14660490 BWWNGGHMRNDYEI-UHFFFAOYSA-N 494.411 3.974 50 10 JHGE Cc1cccc(NCc2nnc(SCC(=O)NNC(=O)c3ccc(F)cc3)n2-c2ccccc2)c1 20922861 WJYJYGYEWUBULO-UHFFFAOYSA-N 490.564 3.880 50 10 JHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 101341650 MZOIJLQFCCRIAF-DEDYPNTBSA-N 468.893 3.772 50 10 JHGE CC(C)CCNC(=O)/C(C#N)=C1/N=C(NC(=O)c2ccc(Br)o2)c2ccccc21 102597577 ATZPDILDOKFTIR-OBGWFSINSA-N 455.312 3.629 50 10 JHGE O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@@]23CCCC[C@@]12[C@H](Br)[C@@H]3Br 254312973 WCVOZXOSMBWBIV-HWZOLEMKSA-N 493.199 3.554 50 10 JHGE CC(=O)Nc1ccc(NC(=O)CC(C)=NNC(=O)COc2ccc(C)cc2Br)cc1 254617673 SYRMPRWTDBXKIY-UHFFFAOYSA-N 475.343 3.616 50 10 JHGE CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)CNc3ccc(OC)cc3)o2)cc1 254882979 FGRMTJALXKWELZ-UHFFFAOYSA-N 484.578 3.548 50 10 JHGE CN(CCOCCBr)C(=O)c1cc(I)ccc1Br 302286561 CEFXAOMLQICBOS-UHFFFAOYSA-N 490.961 3.537 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 725759375 QUCAHZZRCGKOEQ-QGOAFFKASA-N 495.432 3.850 50 10 JHGE N#C/C(=C\c1ccc(-c2cccc(-n3cnnn3)c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1081127829 RXICFDUJPZPYBN-RVDMUPIBSA-N 485.529 3.507 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OC)cc2Br)cc1 1084375884 HDOVLLAKERKPHJ-SFHVURJKSA-N 465.344 3.829 50 10 JHGE C#C[C@@H](CC)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1568621514 WDEOXZRZFQKDBP-FYXHJSOBSA-N 453.449 3.509 50 10 JHGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Cl)cc(Br)c1OC 1772719725 QDUMSPDZCIRIEX-UHFFFAOYSA-N 482.762 3.780 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(Cl)s3)c(=O)c2c1-c1ccccc1 1860770193 XLFXKIBGSXUWDP-UHFFFAOYSA-N 458.952 3.610 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2n[nH]c3c2CCCC3)cc1 1866850115 NOQJDRXWJWUXNZ-OAQYLSRUSA-N 463.538 3.981 50 10 JHGE CC[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866886916 ZQTRNZRHRWRNLS-GOSISDBHSA-N 465.984 3.610 50 10 JHGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@@H](Br)C1 1877390470 PEJLUHTVEOQLBA-DZJNRPSUSA-N 455.393 3.775 50 10 JHGE O=C(N[C@@H](CBr)C1CC1)c1cc(Br)ccc1I 1945362072 OXJMSBILSOYDGX-NSHDSACASA-N 472.946 3.957 50 10 JHGE CN(C)CC(C)(C)COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2021407117 FPHQHECHMQVDJG-UHFFFAOYSA-N 454.393 3.796 50 10 JHGE CCN(C[C@](C)(CI)OC1C[C@H](OC)[C@@H](OC)C1)C(=O)OC(C)(C)C 2047614372 XOGRTDRZDJVPMO-MPGHIAIKSA-N 471.376 3.646 50 10 JHGE O=C(Cl)c1cc(OC(F)F)c(I)cc1I 2060169813 UIBDXTOXNXJANI-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2132546163 ZULMVAWYIHAHAB-MTBHXBHISA-N 474.012 3.755 50 10 JHGE CCCC(CBr)(CCC)CN1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 2163058694 MZUKPAKAGWCWNZ-HXUWFJFHSA-N 451.446 3.556 50 10 JHGE C[C@H](Br)C[C@H]1COCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2185297569 OINGQBRJAGMKFS-YUMQZZPRSA-N 467.632 3.727 50 10 JHGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)N1CCC[C@@H](CCBr)C1 2197754842 HLMNNBJDFDZQLW-ICSRJNTNSA-N 459.450 3.800 50 10 JHGE C[C@]1(CCl)COCCN(C(=O)c2ccc(I)c(Br)c2)C1 2199824641 GYZQZIXJSUZVKM-CQSZACIVSA-N 472.548 3.771 50 10 JHGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCCOCCOCCOCc1ccccc1 2211319572 ISXRMWJUEMFICI-JOCHJYFZSA-N 490.435 3.931 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@H](Br)C[C@H]2CCCC[C@H]21 2264843584 AIZPSXCCAKFHMV-FXPVBKGRSA-N 455.159 3.916 50 10 JHGE NNC(=O)c1cc(Br)cc(Br)c1NC(=O)c1ccccc1Br 2295356294 ZWFHLORAGNJFFP-UHFFFAOYSA-N 491.965 3.830 50 10 JHGE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)NNC(=O)c1ccccc1Br 2296753953 GPJAAQUKANUPFQ-UHFFFAOYSA-N 490.404 3.502 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@H]1CNC(=O)OC(C)(C)C 2325064010 MHTPKQJNHPDWAK-BTYIYWSLSA-N 493.692 3.630 50 10 JHGE COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 2217473 CNEKOPLBWVWIOI-XMMPIXPASA-N 473.529 3.643 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)cc1 8670167 UJMDYEYLSUPMMK-UHFFFAOYSA-N 495.626 3.835 50 10 JHGE aggregator CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 9696138 JCCHWISNYFXRJF-CYBMUJFWSA-N 494.411 3.686 50 10 JHGE O=C(COc1ccccc1Cl)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 13976870 ZRYGSUNXGQSLNX-UHFFFAOYSA-N 454.360 3.923 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040574 QPKGDRNBEYVHHH-UHFFFAOYSA-N 461.518 3.958 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1c(C)cccc1C 14654050 KCMPGNOWLQWJRG-UHFFFAOYSA-N 494.411 3.569 50 10 JHGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 38650182 ZMNMIMDNWWKMDL-DEOSSOPVSA-N 473.441 3.806 50 10 JHGE Cc1c(C(=O)NNC(C)(C)C)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813502 WFILRICGKFJAMP-OEAKJJBVSA-N 461.906 3.653 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1ccc(I)c(Cl)c1 232348316 INICQJMQMUSNPO-WCBMZHEXSA-N 458.521 3.569 50 10 JHGE O=C(NC[C@@H]1CCCC[C@@H]1CBr)c1cc(I)ccc1O 236570838 QTKVVCYAPDFGKR-MNOVXSKESA-N 452.130 3.928 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 254600200 FYHYCEKYLIJQTM-UHFFFAOYSA-N 465.575 3.799 50 10 JHGE CCN(CCOCCBr)S(=O)(=O)c1cc(Br)ccc1Br 312520900 FXYSOILPWVIXMZ-UHFFFAOYSA-N 494.043 3.634 50 10 JHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1cc(Br)sc1Br 384411949 FIILJVXKQAZQET-MRVPVSSYSA-N 475.044 3.862 50 10 JHGE O=C(Cl)c1cnc(I)c(OC(F)(F)F)c1I 396176458 BQWGJMYWICHTIS-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccccc1[N+](=O)[O-] 1083909657 ICOAEXHFUIMUBL-INIZCTEOSA-N 465.539 3.615 50 10 JHGE C[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1260505310 ZMEFOEBAAXWUJY-GOEBONIOSA-N 461.422 3.753 50 10 JHGE CC(=O)N1CCCc2cc(NC(=O)NNC(=O)COc3ccccc3-c3ccccc3)ccc21 1310238719 ZKUSYVOLJHPRSX-UHFFFAOYSA-N 458.518 3.884 50 10 JHGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714296 GRNRTOPDYQAMTC-FQEVSTJZSA-N 452.430 3.766 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c(C)c1 1865852270 QQUIYAUJBNLDJL-UHFFFAOYSA-N 474.586 3.912 50 10 JHGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1873795444 JSBROKCWVBYJGU-NXSNIQIJSA-N 493.196 3.917 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)C1CC(OCc2ccccc2)C1 1993396019 FGILFBWMZPAIGW-MFNRNEDNSA-N 451.370 3.503 50 10 JHGE CC(C)(C)C[C@H](CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2100102477 PWGFQYKEAMAWSI-MRXNPFEDSA-N 487.460 3.820 50 10 JHGE C[C@H](Br)CN1CCCN(c2ncc(Br)cc2Br)CC1 2120334620 XPZRGIKPVNCIRA-JTQLQIEISA-N 456.020 3.902 50 10 JHGE Clc1cc(CN2C[C@@H]3OC[C@@H](CBr)[C@@H]3C2)ccc1I 2142946379 ZYQYEFPWJWYCDQ-SUNKGSAMSA-N 456.549 3.786 50 10 JHGE C[C@H]1[C@H](C)N(S(=O)(=O)c2cc(CBr)ccn2)C[C@@H](C)N1Cc1ccccc1 2179812527 RDZHESQQRCTKCH-IKGGRYGDSA-N 452.418 3.649 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179814309 AQAWROOYFAYVPW-UHFFFAOYSA-N 463.344 3.625 50 10 JHGE O=C(N[C@@H](CCl)C[C@@H]1CCOC1)c1cc(I)ccc1Br 2195506508 SXOPBSGITCQKDC-GXSJLCMTSA-N 472.548 3.818 50 10 JHGE Cn1nc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)n1 2226972613 PUAUCRLGUGFGDO-VIFPVBQESA-N 451.944 3.759 50 10 JHGE Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](CCBr)C2)cc1I 2232837430 STPDOGLUZCZMES-AAEUAGOBSA-N 452.130 3.614 50 10 JHGE O=C(Oc1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc(O)n2)cc1)c1ccc(F)cc1 2323700292 GGJJYAIDPHAFMB-UHFFFAOYSA-N 456.433 3.971 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CBr)c1c(F)cccc1I 2361672497 QCBZALMEHLVCMA-UHFFFAOYSA-N 471.989 3.826 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCC[C@]2(CBr)C1 2364202687 VQQVTIKXBWPLBN-JTSKRJEESA-N 497.455 3.670 50 10 JHGE O=C(/C=C/c1cccs1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 13979389 UBDZXJHQJNUAOL-CSKARUKUSA-N 490.404 3.778 50 10 JHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1Br 14022118 ZXSLXLZSSRNTQS-UHFFFAOYSA-N 494.411 3.832 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 14653042 GHZPQMHQCKZNKQ-UHFFFAOYSA-N 474.355 3.907 50 10 JHGE COc1ccc(C(=O)NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 22301976 AAHCFQMEDFNXCI-DEDYPNTBSA-N 475.476 3.649 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NC2CCCCC2)c1[N+](=O)[O-] 40598293 ZTDXPKLPZMIHBR-UHFFFAOYSA-N 455.302 3.958 50 10 JHGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813710 RBSYUYYDLKQBNT-WGOQTCKBSA-N 458.305 3.855 50 10 JHGE CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OC 59304384 IXJHGPYADSWVAV-FOKLQQMPSA-N 475.295 3.910 50 10 JHGE O=S(=O)(Nc1cccc(I)c1)c1ccc(CBr)cc1 115107489 WATDCGZFKDMXDV-UHFFFAOYSA-N 452.111 3.987 50 10 JHGE CCn1nc(C(=O)NNC(=O)/C=C\c2ccc(-c3ccccc3F)s2)c2ccccc2c1=O 206517635 VVXOYDSYFYWKRL-OWBHPGMISA-N 462.506 3.758 50 10 JHGE O=S(=O)(CCCCCl)Nc1cc(I)cc(I)c1 690357758 KFBCBKYXVQBCJM-UHFFFAOYSA-N 499.539 3.657 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1 725445185 RBCHFDPQLAZXHY-UHFFFAOYSA-N 463.515 3.561 50 10 JHGE CC1(C)CN([C@H](CNC(=O)NNC(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCO1 729054928 QKUGNGMQPPERPB-LJQANCHMSA-N 465.381 3.790 50 10 JHGE C[C@H](Sc1ccccn1)C(=O)NN=Cc1cc(Br)cc(Br)c1O 1083899336 ZTBRUHLLOWRJCP-VIFPVBQESA-N 459.163 3.943 50 10 JHGE O=C(COCC(=O)NN=Cc1c(Cl)cccc1Cl)NN=Cc1c(Cl)cccc1Cl 1084572900 FRHOPFUXHXKETQ-UHFFFAOYSA-N 476.147 3.917 50 10 JHGE O=C(NNC(=O)c1cc(F)ccc1Br)c1cc2c(C(F)(F)F)cc(O)nc2o1 1318243902 BZGVQCUFRSHXDE-UHFFFAOYSA-N 462.153 3.529 50 10 JHGE CC(=O)N1C[C@H](CI)[C@H](c2cc(Cl)ccc2I)C1 1614643210 QEMRKURMNNQDSE-JOYOIKCWSA-N 489.522 3.942 50 10 JHGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)c(C)n2)cc1 1865757636 NDGWLQZPDZTJTQ-UHFFFAOYSA-N 470.529 3.692 50 10 JHGE O=C(N[C@@H](CCl)C[C@H]1CCCO1)c1ccc(I)c(Br)c1 1926720604 ITDOYMMUSAWCOP-GHMZBOCLSA-N 472.548 3.960 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2C[C@@H]2Br)cc1Br 2076168158 WISVMLGMHXBYJC-CBAPKCEASA-N 462.001 3.582 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@]2(CBr)C1 2090125548 WBVFDWDZYSJYBO-UFBFGSQYSA-N 474.012 3.617 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1scc(Br)c1Br 2122394371 WGQLBPISCYHFEW-SFYZADRCSA-N 475.044 3.813 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3[C@@H](CBr)[C@@H]3C2)cc1Br 2146866119 INHAZNUPQFUCBG-OWUUHHOZSA-N 488.039 3.781 50 10 JHGE CC(C)(C)OC(=O)NCC1CCC(NS(=O)(=O)c2ccc(CBr)cc2)CC1 2162590878 GFBGZTKAUVBNRL-UHFFFAOYSA-N 461.422 3.943 50 10 JHGE CN(C1CC(OCc2ccccc2)C1)S(=O)(=O)c1ccc(OCCBr)cc1 2179858773 SZRIMGQONROKDA-UHFFFAOYSA-N 454.386 3.829 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@]21CCC[C@@H](CI)O1 2249364215 MXBLOYCOCPMASL-KIBLCYBISA-N 451.345 3.679 50 10 JHGE Cc1cc(-n2c(C)nc(I)c2I)cc(CCl)n1 2250737625 GGAQLAUXXLKMPF-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE C[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(C)(C)CBr 2316824405 LOUHRRYDJKJRPR-HNNXBMFYSA-N 473.433 3.572 50 10 JHGE C[C@H]1[C@H](Br)C[C@@H](C)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338841697 BDDFAPCWVNJAST-JTDSTZFVSA-N 485.444 3.667 50 10 JHGE COc1ncc(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc1F 2349876236 PQSFOXKHMAAXSM-SFHVURJKSA-N 480.318 3.951 50 10 JHGE CN1CCC(CCl)(NCc2ccc(I)c(Br)c2)CC1 2352593318 DSRCHWXKHLEZDK-UHFFFAOYSA-N 457.581 3.847 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2364201560 HYEOYWKQQOXEBL-ZWOKBUDYSA-N 497.455 3.811 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2365584707 RYJHLNGFPYFLKL-BZHVJNSISA-N 470.532 3.712 50 10 JHGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 13139857 VCBBNVCMFCWCBV-UHFFFAOYSA-N 469.501 3.813 50 10 JHGE aggregator CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCOC)cc1 14662636 SCEWMQQGCVRFEG-HNNXBMFYSA-N 479.371 3.828 50 10 JHGE Cn1c(-c2ccc(C(=O)NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)nc2ccccc21 35553882 INXNUWHKBWTEFL-UHFFFAOYSA-N 455.883 3.938 50 10 JHGE O=C(N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1nc2ccccc2s1 59166191 AHXGPFDJHHBNNT-LKUDQCMESA-N 457.471 3.885 50 10 JHGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)c(OC)c1 59384929 NJDAMQWTVYYAPT-QFJCWKAKSA-N 479.389 3.954 50 10 JHGE Cn1cc(Br)cc1C(=O)NNC(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 109915779 PKWUBNNQAYZNCM-FNORWQNLSA-N 459.275 3.588 50 10 JHGE COc1ccccc1NC(=O)C(=NNc1ccc(C)cc1[N+](=O)[O-])C(C)=NNC(=O)c1ccncc1 254487889 UNYBMKIKOOIRNV-UHFFFAOYSA-N 489.492 3.519 50 10 JHGE O=C(CSCC(=O)Nc1ccccc1)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 1084455918 XTGNDOMHFZRTPV-UHFFFAOYSA-N 477.542 3.786 50 10 JHGE CC1(CNS(=O)(=O)c2ccc(CBr)cc2)CCN(C(=O)OC(C)(C)C)CC1 1260512185 KMWSOXJTEWIWGO-UHFFFAOYSA-N 461.422 3.897 50 10 JHGE C#CCCCC(=O)NNC(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 1558514390 ZQUGRCMZJPDDNR-UHFFFAOYSA-N 455.580 3.658 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745734 FXEFZMSTVTWKHZ-UHFFFAOYSA-N 490.472 3.990 50 10 JHGE COc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 1858682275 JMIBXHJFWDUXLV-UHFFFAOYSA-N 483.393 3.535 50 10 JHGE N#C/C(=C\c1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 1866131462 WMGMAPZKBOZZLN-GXDHUFHOSA-N 457.874 3.616 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(I)ccc2Br)[C@H]1Cl 1910987645 YWJBAQUUVMAGON-GHMZBOCLSA-N 458.521 3.568 50 10 JHGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1c(F)cc(F)cc1F 1916363768 DSQRNLSOWXCRQX-CYBMUJFWSA-N 452.292 3.705 50 10 JHGE CN1CC[C@@H]([C@@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2029045721 FCESFYVHVCIQSF-QWRGUYRKSA-N 462.001 3.682 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H](F)[C@@H](CBr)C1 2056988328 CLJPICFQBPZNQT-OIBJUYFYSA-N 490.936 3.859 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2scc(Br)c2Br)C1 2077898640 GYXWZUKBBBOSNY-JCJUMFQOSA-N 462.001 3.945 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)c1ccccc1 2089707151 KRIULDBDSXRRRM-IBGZPJMESA-N 479.396 3.509 50 10 JHGE O=C(Cc1ccccc1I)NC[C@@H](CBr)C(F)(F)F 2105265091 LKGXHJHSYSFYPV-SECBINFHSA-N 450.036 3.523 50 10 JHGE CN(C[C@@H](Br)C1CCCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2111350638 HXWMOWPPEMZDEJ-GOSISDBHSA-N 485.444 3.524 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NS(=O)(=O)c1ccc(CBr)cc1 2164514040 MLQRJEYRHULUDM-XOSAIJSUSA-N 459.406 3.552 50 10 JHGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186714005 BQECNFPLNPCTNM-ZACQAIPSSA-N 469.367 3.629 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1F)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188880991 BGODSZXBYUAIOF-PKOBYXMFSA-N 453.377 3.616 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2196938263 ZUXUACAOPUYSAQ-WPRPVWTQSA-N 494.018 3.887 50 10 JHGE ClC[C@@H]1CC[C@@H]2CN(c3ncc(I)cc3Br)C[C@@H]2O1 2273665476 RCKQNVGLIAQQID-QRTLGDNMSA-N 457.537 3.671 50 10 JHGE CC(C)(C)C1CC(CCl)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2289815731 JNBRMFZSVQZXEV-UHFFFAOYSA-N 455.020 3.806 50 10 JHGE CC(C)(CBr)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 2290042246 GQASRLJYCLGDFK-WTGUMLROSA-N 455.462 3.580 50 10 JHGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(I)c(O)c1 2303766025 WYTPKGFPKOKLRL-HNNXBMFYSA-N 459.711 3.941 50 10 JHGE CCN(C[C@](C)(CI)OC[C@@H]1CCc2nccn21)C(=O)OC(C)(C)C 2326870763 PUIKIPZLOWWEEI-KSSFIOAISA-N 463.360 3.838 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CCCC[C@H]1CBr 2364228828 RKUWUWCGQIRAIW-IUCAKERBSA-N 472.019 3.876 50 10 JHGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2Cc1nn(C)cc1I 2367609885 CQKGOJZTGVCKPF-WODVXLOZSA-N 452.178 3.941 50 10 JHGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1 9231586 PBVJWMIZKHVSMK-UHFFFAOYSA-N 455.736 3.831 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1 14004704 NEHTXDCFVOEBKA-GFCCVEGCSA-N 486.160 3.514 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 14030158 NRTUOAQJAISIKB-UHFFFAOYSA-N 480.384 3.586 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14644372 NGHDQAGOYJJZAJ-NSHDSACASA-N 480.746 3.680 50 10 JHGE COCCNC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c2ccccc21 33932836 RCEVYLRYGQIRTA-ATVHPVEESA-N 450.926 3.911 50 10 JHGE COc1ccc(CNc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40619299 NDORZWSFBAJDNT-UHFFFAOYSA-N 473.287 3.525 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 58989009 RVZZUIQEPPETEF-FOKLQQMPSA-N 494.364 3.897 50 10 JHGE Cc1cccc(Cn2cccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc4ccccc4c3)c2=O)c1 109108121 WOQJAROJMNCCME-LJQANCHMSA-N 455.514 3.587 50 10 JHGE CC(=O)[C@H](Br)c1cc(I)cc(I)c1 306832767 MSHBCXAPIZYMJM-VIFPVBQESA-N 464.866 3.921 50 10 JHGE FC(F)(F)Oc1nc(CCl)cc(I)c1I 396154930 CYOSPFWHANLGLJ-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NNC(=O)c2cccc3cccnc23)cc1 726532095 XCPKPOMKLNFICY-UHFFFAOYSA-N 458.449 3.710 50 10 JHGE COC(=O)c1cccn2cc(COC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)nc12 912966636 CPQCUIYCTXRHEF-UYRXBGFRSA-N 480.484 3.548 50 10 JHGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cccc(C)c1)S(=O)(=O)c1ccccc1 1084316343 DQKNAAZQIBJZQM-UHFFFAOYSA-N 451.548 3.658 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714735 OSISTBDMRACXPJ-MRXNPFEDSA-N 475.358 3.921 50 10 JHGE CC(C)(C)OC(=O)NCCCN(c1cccc(Br)c1)S(=O)(=O)CBr 1999486825 BYPGJDBHGZEAKE-UHFFFAOYSA-N 486.226 3.853 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2csc(Br)c2Br)C1 2046668502 JTZDOUSXQWWTGN-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)oc1Br 2059265002 NYYBYBSHEVZFOK-CQSZACIVSA-N 492.233 3.832 50 10 JHGE O=C(NC[C@@H](Cl)C(F)(F)F)c1cc(I)ccc1Br 2077139766 BHOZPCVPHJLINV-MRVPVSSYSA-N 456.427 3.953 50 10 JHGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)CCC(F)(F)CBr 2123361589 IACZTPJSBDXQTK-CVEARBPZSA-N 453.393 3.579 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(I)c(Br)c2)C[C@H]1Cl 2130822046 KZQHFPZPKFCOCT-MKPLZMMCSA-N 458.521 3.568 50 10 JHGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC[C@@H](CBr)c2ccccc2)CC1 2163059039 PZCAQQSNXPWCMJ-CRYYWNKWSA-N 460.438 3.731 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@@H]2CC[C@@H]21 2177709199 FPXRPDSPKHHSBM-ULQDDVLXSA-N 459.406 3.648 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179815692 NLBBMZGFQNQMAJ-UHFFFAOYSA-N 479.412 3.827 50 10 JHGE CN1CCN(C(=O)c2cc(Br)cc(Br)c2)[C@@H](CCBr)C1 2202834554 LDVOHJKFZCDMDQ-ZDUSSCGKSA-N 469.015 3.753 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1CC(OCCCBr)C1 2295314139 UIMGGWYLDYSHNN-UHFFFAOYSA-N 469.999 3.767 50 10 JHGE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NNC(=O)c2cccs2)cc1 2313682976 OUGGYPCQIUDFTK-UHFFFAOYSA-N 450.495 3.855 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNC1CCN(C(=O)OC(C)(C)C)CC1 2325312930 VNPAMRKQDGRLMM-UHFFFAOYSA-N 470.570 3.979 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCCN(C(=O)OC(C)(C)C)C1 2325588889 VLQUKEXBGXFWHW-NRFANRHFSA-N 493.692 3.727 50 10 JHGE CCOc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc(Br)c1O 2328824701 YEUZINVZYRGYGJ-HNNXBMFYSA-N 472.380 3.943 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2OCC[C@]2(CBr)C1 2365591546 HNLXDBUZTYWLFR-OCCSQVGLSA-N 470.532 3.571 50 10 JHGE CCOC(=O)c1sc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c(SC#N)c1C 8896987 MDNLQCKYWQGVHI-OAHLLOKOSA-N 497.595 3.737 50 10 JHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC)cc2)cc1 14029718 NEZYPTMMLBVNJT-UHFFFAOYSA-N 456.568 3.553 50 10 JHGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 14768636 QVWFNESNKUZNQP-NRFANRHFSA-N 464.518 3.998 50 10 JHGE COc1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)cc1CN1CCN(c2ccc(F)cc2)CC1 20615837 UMSQLFLNVMPVSI-UXHLAJHPSA-N 478.543 3.988 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccc(F)cc1 33339404 OPGKLOXUPXVBMR-UYRXBGFRSA-N 495.532 3.996 50 10 JHGE CCOc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 38608879 WIBMUMUJPSMYPG-FYJGNVAPSA-N 492.503 3.959 50 10 JHGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2coc3ccccc3c2=O)cc1 254736681 PQCFKMSHHGQKFC-UHFFFAOYSA-N 498.495 3.533 50 10 JHGE O=C(NNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nnc(O)c2ccccc12 730516816 MUVVXAHTERZBIC-HXUWFJFHSA-N 466.856 3.709 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@](C)(C(=O)OC)c2cccc(Br)c2)c1C 730992966 HGSQICFNEHKLGR-QRKROWPFSA-N 488.382 3.625 50 10 JHGE O=C(O)COc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 1084397069 UIGIGSGZGRCWCI-MRXNPFEDSA-N 469.719 3.530 50 10 JHGE C#Cc1cccc(N(CC(=O)NC)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c1 1356486516 PQXYBQIIAJOFCC-JCMHNJIXSA-N 454.505 3.901 50 10 JHGE COC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)nc1C 1858862495 HBJMRXJAXIFBOV-UHFFFAOYSA-N 498.546 3.868 50 10 JHGE Cc1nc2scc(C)n2c1/C=N/NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 1860772643 CUBUVVVFHKVNQM-YCPBAFNGSA-N 476.587 3.910 50 10 JHGE O=C(NC[C@@]1(CBr)CCCO1)c1cc(Cl)ccc1I 1879603490 BUMJMZRUUFYYJM-ZDUSSCGKSA-N 458.521 3.619 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(I)ccc2Br)[C@@H]1Cl 1910987647 YWJBAQUUVMAGON-QWRGUYRKSA-N 458.521 3.568 50 10 JHGE COC(=O)Cc1cc(I)c(CBr)cc1OC(F)(F)F 2055375543 MYSZAKRKGBWKBW-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)N2CCC(CCBr)CC2)CO1 2179956453 OVXADBUNBYGWIP-IBGZPJMESA-N 459.450 3.798 50 10 JHGE CCN(CCBr)CCC[C@@H](C)NC(=O)c1csc(I)c1 2204136641 AOQKHFLBFFVBJQ-LLVKDONJSA-N 473.218 3.968 50 10 JHGE CO[C@@H]1CN(Cc2ccc(I)c(Cl)c2)[C@@H](CBr)[C@H]1OC 2233352712 FHZMZGXSEFKRBI-BFHYXJOUSA-N 474.564 3.554 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC1[C@H]2COC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2258017847 IWUNFYBUNFFFBY-MRLCAUJQSA-N 491.720 3.800 50 10 JHGE Cn1ccnc1Sc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 2293034738 ASGYHASCXCGYKQ-UHFFFAOYSA-N 463.475 3.796 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccccc2)cc1 2313607286 WCAAYBRILVWNIT-UHFFFAOYSA-N 458.543 3.596 50 10 JHGE COc1c(F)cc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)cc1F 2316262074 VOKZNZGBLRRLIG-ZIAGYGMSSA-N 469.266 3.913 50 10 JHGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1nc2c(s1)CN(C)CC2 2325406466 OFNVWOXMWMRNQH-UHFFFAOYSA-N 479.347 3.502 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 10154338 UNRLAOIXAHLSHT-CQSZACIVSA-N 494.411 3.568 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1cccc2ccccc12 12573982 YJHSAWPQEBEDPY-UHFFFAOYSA-N 478.357 3.626 50 10 JHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 13989184 NUQGUUKBDIBMSX-HNNXBMFYSA-N 457.324 3.904 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C(\C)c1ccc(OC)cc1OC 58991345 DCDIMIQUQGEKHS-NLRVBDNBSA-N 479.606 3.899 50 10 JHGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3cc4ccccc4nc3O)cc2)cc1 254525926 IXQNZXKQJWVWIO-UHFFFAOYSA-N 460.515 3.814 50 10 JHGE C[C@@H](Br)[C@@H](C)NC(=O)c1cc(Br)ccc1I 386998930 LQKWBXMJUCSVSE-RNFRBKRXSA-N 460.935 3.955 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2coc(Br)c2)C1 393557937 SDDCLWLPNFRFKG-JTQLQIEISA-N 479.028 3.796 50 10 JHGE COC[C@@](C)(CBr)N(C)S(=O)(=O)c1cc(Br)ccc1Br 689229359 IMTZEXFVQZZZDU-GFCCVEGCSA-N 494.043 3.632 50 10 JHGE O=C(c1scc(Br)c1Br)N1CCN2C[C@@H](Br)C[C@H]2C1 705468276 RWRHGEVIIAEZQX-YUMQZZPRSA-N 473.028 3.567 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 725398859 OLXPBFGQBNISOY-NEPJUHHUSA-N 477.255 3.889 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)cc1 1660118047 FQXKUQWRFZBFDW-FUHWJXTLSA-N 453.543 3.592 50 10 JHGE COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)cc1OC 1772720665 VKTURVVCHXXEQR-UHFFFAOYSA-N 494.500 3.713 50 10 JHGE Cc1ccc(-c2ccc(C(=O)NNC(=O)CCCS(=O)(=O)c3ccccc3)c(C)n2)cc1C 1865756166 JRLLHSKTSFQWRM-UHFFFAOYSA-N 465.575 3.689 50 10 JHGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCBr)s1 1885142408 QSEBRALEIBJVNJ-INIZCTEOSA-N 457.459 3.971 50 10 JHGE O=S1(=O)C[C@H]2C([C@H](Br)c3cc(Br)c(Br)s3)[C@@H]2C1 2006155296 VRTQJGIYVUPQAH-UDJQAZALSA-N 465.026 4.000 50 10 JHGE COc1ncccc1-n1nc(CBr)c(I)c1C(F)(F)F 2078934060 DWIYRCGRJWGXJD-UHFFFAOYSA-N 462.007 3.794 50 10 JHGE CN1CCC[C@H]([C@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2089532323 RBSDHEGMOFPTKS-VXGBXAGGSA-N 478.577 3.805 50 10 JHGE CN1CCN(C(=O)c2scc(Br)c2Br)[C@@H](CCBr)C1 2138081482 IGQAWZQAIGZGFJ-QMMMGPOBSA-N 475.044 3.814 50 10 JHGE CCN1CC[C@H]([C@@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2142284681 GMHJRBXHJGIKNC-NEPJUHHUSA-N 478.577 3.758 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cn2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2179814352 BBTYNVXPPOFSPO-BRWVUGGUSA-N 452.418 3.649 50 10 JHGE C[C@@]1(CBr)COCCN(C(=O)c2cc(Cl)ccc2I)C1 2199825560 QSTDLPAWSWGVEJ-AWEZNQCLSA-N 472.548 3.818 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CCO[C@@]2(CBr)C1 2231353564 WIEGKZSBLLJPPG-MADCSZMMSA-N 474.012 3.899 50 10 JHGE C[C@@H](Cl)COCc1cn(-c2ccc(I)c(Br)c2)nn1 2278375423 HQRHEBCQPFUSTL-MRVPVSSYSA-N 456.509 3.778 50 10 JHGE O=C(NC[C@H]1CC[C@@H](CCl)CO1)c1cc(I)ccc1Br 2279407092 KNIDFMJFSBDRCM-GXSJLCMTSA-N 472.548 3.818 50 10 JHGE CC(=O)Nc1cccc(NC=C2C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)c1 2297471633 KZTACGZJSRSQOR-UHFFFAOYSA-N 453.502 3.874 50 10 JHGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236694 VJWITALQDVYIPD-UHFFFAOYSA-N 477.414 3.715 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCC[C@@H]1CCBr 2338850803 VCBNKPZYROUHFA-VQIMIIECSA-N 485.444 3.716 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)c1ccccc1 2364031906 OGBJQUOKFLZNRA-VIFPVBQESA-N 465.971 3.811 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H](CCCl)CC1 2364218318 YUJWVUCGVXVLGY-SFHVURJKSA-N 455.020 3.904 50 10 JHGE CN1CCC(CBr)(NC(=O)c2ccc(I)c(Cl)c2)CC1 2380729848 URYKZDAOOQADLT-UHFFFAOYSA-N 471.564 3.534 50 10 JHGE COc1ccc(Cl)c2sc(NNC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)nc12 9447902 BVCJKBJMYZSAOG-UHFFFAOYSA-N 460.364 3.919 50 10 JHGE CCOC(=O)c1nn(-c2ccc(Br)cc2)c(=O)c2c(NC(=O)CCCl)scc12 10248087 XIKKXDLPRADGIA-UHFFFAOYSA-N 484.759 3.954 50 10 JHGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 40784441 VPURJXYBNYPGIM-UHFFFAOYSA-N 487.951 3.744 50 10 JHGE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc(F)cc2)C1 59378234 MZNFASXCGNFWCK-CMPFEXHJSA-N 469.517 3.583 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)CC1CCCC1 100431601 JASKXHPMQWKACL-UHFFFAOYSA-N 464.385 3.583 50 10 JHGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3cccc(Cl)c3)c(C)c21 101615709 NNJKKYBWDKEWFY-KOEQRZSOSA-N 468.897 3.688 50 10 JHGE CCOc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1[N+](=O)[O-] 169920625 XYNXQLPWZDOKOZ-CFRMEGHHSA-N 454.870 3.621 50 10 JHGE O=C1NCCOc2ccc([C@H](Br)c3cccc(I)c3)cc21 228233836 ILDSMEIYEWUSPF-OAHLLOKOSA-N 458.093 3.898 50 10 JHGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253576740 WFBGDNWNDMMROY-RGVLZGJSSA-N 450.249 3.608 50 10 JHGE CCCCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(N)s2)cc1OC 256028506 QNTIAQLALSUNLU-UHFFFAOYSA-N 488.433 3.703 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1084418391 QQKXNZSGURTRMN-UHFFFAOYSA-N 463.446 3.985 50 10 JHGE C[C@@H](C(=O)NNC(=O)/C=C/c1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771626 BWRAYAHZFYUMAQ-BBVLPBNKSA-N 470.982 3.658 50 10 JHGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)CCCSc2ccccc2)CC1=O 1865757713 QZKRPRHCWIQNET-FQEVSTJZSA-N 453.608 3.884 50 10 JHGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852389 UTQVOUCMRDMNIJ-BRWVUGGUSA-N 496.633 3.882 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)c2ccccc2)cc1 1867289688 GFBRJPZETQYVBT-IBGZPJMESA-N 490.507 3.857 50 10 JHGE CC(C)(C)OC(=O)N1CCCc2cc(NS(=O)(=O)CI)ccc21 1983328465 XSUKSCDOQJDQMD-UHFFFAOYSA-N 452.314 3.509 50 10 JHGE CC1(CBr)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2039546019 GJTYXGATZFBNFT-UHFFFAOYSA-N 462.001 3.617 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Br)c(O)c1 2061268746 ZENACWXPSFBIEP-UHFFFAOYSA-N 451.408 3.791 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCOC[C@@H](CBr)C1 2098235389 BKHUANBLVXCJDZ-VIFPVBQESA-N 455.972 3.695 50 10 JHGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)CCC(F)(F)CBr 2123365101 FGXXCEFRLFNTEC-OAGGEKHMSA-N 453.393 3.720 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H](N2CCN(CCCCCI)CC2)C1 2220213544 DUVRNLBOIFRBOC-QGZVFWFLSA-N 465.420 3.609 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)C=Cc1ccc(F)cc1 2313617074 BKIXZWGYILTRAR-LLVKDONJSA-N 456.326 3.635 50 10 JHGE COc1cc(Br)cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1O 2328835205 FTSVFTVJRJOBPE-UHFFFAOYSA-N 458.353 3.699 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)c1ccc(Br)o1 2349638404 FCDBLMUZOBHFGS-MRXNPFEDSA-N 469.423 3.838 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2364213616 HYEOYWKQQOXEBL-UWVAXJGDSA-N 497.455 3.811 50 10 JHGE CS(=O)(=O)C1CC(CO[C@H](CI)c2ccccc2Br)C1 2380701159 DORXBXCWJXJZSI-QIMFLAQGSA-N 473.170 3.765 50 10 JHGE Cn1ncc(I)c1-n1c(CCCl)nc2c(Br)cccc21 2381856455 JPMRIZUCXLLCKN-UHFFFAOYSA-N 465.520 3.907 50 10 JHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)Cc1cccc2ccccc12 13976959 VKJXIVHUCJSGFU-UHFFFAOYSA-N 482.993 3.785 50 10 JHGE O=C(NNC(=S)NC(=O)c1cccc(Cl)c1)c1ccc(NC(=O)c2ccccc2)cc1 14005311 RFNSMHNCXKULRG-UHFFFAOYSA-N 452.923 3.542 50 10 JHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 14037095 KEDXUYZAWFSLFR-UHFFFAOYSA-N 490.585 3.985 50 10 JHGE O=C(NNC(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(CS(=O)(=O)c2ccccc2)o1 15583885 OQQFWZIPAFIOHA-UHFFFAOYSA-N 471.293 3.774 50 10 JHGE O=C(CCCNC(=O)c1ccccc1Cl)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 38249343 UBSXAFTXGZTWIM-UHFFFAOYSA-N 453.713 3.629 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(F)c1 38678028 FBHXEFLKMSHYKV-QHCPKHFHSA-N 461.405 3.936 50 10 JHGE CCCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)NCc4ccccc4)cc3)nc2s1 96484399 RUPJFEDPWCHRPB-MOSHPQCFSA-N 485.569 3.906 50 10 JHGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1 97990729 WIQDUKHBTVMTHU-MNDPQUGUSA-N 493.541 3.522 50 10 JHGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4Cl)c(C)c32)cc1 101604225 FMCINTAEXKTSKQ-ZXVVBBHZSA-N 494.935 3.795 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 101618899 ZJYBTZIFQFCPQO-MWAVMZGNSA-N 495.539 3.990 50 10 JHGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=Cc2cc(C)n(-c3ccccc3OC)c2C)c1 254441679 LNUFJTFHLIJVCB-UHFFFAOYSA-N 482.606 3.897 50 10 JHGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC 254573080 LVDZZACMNZDDRE-WMTQUDNQSA-N 487.512 3.744 50 10 JHGE N#CCC[C@H]1CCCCC1=NNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 254705121 PLAFHPCVSOWMAE-GOSISDBHSA-N 483.550 3.756 50 10 JHGE CC[C@@H](Nc1ccc(I)cc1C)C(=O)NN=Cc1cccc(OC)c1O 254752357 SZBCUZIWYYBZFC-OAHLLOKOSA-N 467.307 3.655 50 10 JHGE C=CCn1c(SCC(=O)NN=Cc2ccncc2)nnc1-c1cccc(Br)c1 254765850 OTDJARLDAUFQPT-UHFFFAOYSA-N 457.357 3.531 50 10 JHGE Cn1cc(C(=O)NNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)c2ccccc21 730998911 KSMLLWCGSIQZDM-UHFFFAOYSA-N 479.274 3.775 50 10 JHGE COC(=O)C[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccc(Br)cc1 917865096 CUHWIEHIGAQWIF-QGZVFWFLSA-N 460.777 3.813 50 10 JHGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCC(=O)O 1084000417 PVIOVKIBFJYHFZ-UDWIEESQSA-N 459.502 3.634 50 10 JHGE C[C@H](Br)[C@@H]1C[C@@H]1NC(=O)c1cc(I)ccc1Br 1908461406 NJRULKRAYDFATN-RASWFIQWSA-N 472.946 3.955 50 10 JHGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 1915083421 OVDJYMXYCCNVIG-OAHLLOKOSA-N 478.405 3.594 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1cc(Br)c(Br)s1 2036678606 HPNOSQWHFAGIFP-BQBZGAKWSA-N 462.001 3.945 50 10 JHGE O=C(Cl)c1cc(I)c(OC(F)F)cc1I 2060168405 MJNQYDSBHBHOLE-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE O=[N+]([O-])c1c(I)cc(CBr)cc1I 2060231618 JKZNCUXZKUUBMD-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@]2(CBr)CCC[C@H]12 2165244556 LBDAZIUSQGQGSX-SIKLNZKXSA-N 497.455 3.812 50 10 JHGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)c1C 2296544516 UUWDGBMNIGOPEH-UHFFFAOYSA-N 460.534 3.942 50 10 JHGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(OC)cc1 2314593213 JPVXCBBNFPVTCI-SFHVURJKSA-N 472.364 3.630 50 10 JHGE CC(C)[C@H](CBr)N(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2318875209 LGJCIMWUELGIDU-SFHVURJKSA-N 473.433 3.524 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1 14030178 IOIKBPQYYKTPNW-UHFFFAOYSA-N 451.548 3.733 50 10 JHGE COc1cc(/C=N/NC(=O)N/N=C/c2cc(Cl)c(OC)c(OC)c2)cc(Cl)c1OC 18156980 SQNLCRBCTQAVBF-HHAMRVRLSA-N 455.298 3.695 50 10 JHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Oc2cccc3ccccc23)c1[N+](=O)[O-] 40583535 BJTJGNMICRAXKS-UHFFFAOYSA-N 460.406 3.924 50 10 JHGE C[C@H](Sc1ccccn1)C(=O)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59166184 UAFOTSAISTURDT-UVWSQDQSSA-N 461.503 3.538 50 10 JHGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)cc1 59384957 OXELZOOKJTYMEV-KNQBZKNYSA-N 477.373 3.723 50 10 JHGE CCOc1cc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214437097 ZPPHJKSRMCJKDL-JCMHNJIXSA-N 498.576 3.682 50 10 JHGE Cc1cc(C)cc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1 252628035 SGUDSLFOMTZBJG-UHFFFAOYSA-N 465.575 3.799 50 10 JHGE COc1cccc(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 254297318 PQDMVQMTIOCLHN-UHFFFAOYSA-N 457.465 3.776 50 10 JHGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(N3CCOCC3)s2)cc1 254404002 VDFKDGUPKOYQDY-KDURUIRLSA-N 484.622 3.517 50 10 JHGE CCn1c(SCC(=O)NN=C/C(C)=C\c2ccco2)nnc1-c1ccc(OC)c(OC)c1 254871390 BRHXRCQSTWJQCI-PFRGSJBRSA-N 455.540 3.873 50 10 JHGE CC(=O)[C@@H](Br)c1cc(I)ccc1I 306580815 OUGFBTQQKMIHME-SECBINFHSA-N 464.866 3.921 50 10 JHGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1ccc(I)c(O)c1 312415564 GKXACKAMAXAACH-WDEREUQCSA-N 452.130 3.928 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCC(=O)Nc2cccnc2)c(-c2ccc(Cl)cc2)n1 727737506 GMNFBJFQKIROJY-AQTBWJFISA-N 473.924 3.564 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)cc1 1084282648 PWEYGVJGVCOGMY-UHFFFAOYSA-N 482.606 3.636 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)c1 1084372560 BOUFYLYXRKRMSD-UHFFFAOYSA-N 466.519 3.557 50 10 JHGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866130451 VNXLHNRNOJHUCL-CPNJWEJPSA-N 481.549 3.883 50 10 JHGE O=C(N[C@H]1C[C@H]1CBr)c1cc(I)ccc1Br 1894168699 TVJCCRLJWBYEGZ-WKEGUHRASA-N 458.919 3.567 50 10 JHGE C[C@H](CCCl)N(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915078681 STXHQDCXRMMHDU-GOSISDBHSA-N 462.999 3.912 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H]1Br 2026222554 ZYDGLCRPVXGMQN-GMSGAONNSA-N 472.946 3.909 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(Br)c(Br)s2)[C@@H]1Br 2078738354 PTKAXGMDQRHEIU-SVRRBLITSA-N 462.001 3.944 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@]2(CBr)C1 2086147468 NLLAQKJINZXBNU-SDBXPKJASA-N 484.957 3.911 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185294051 RYQAJADVSODYFH-ZWKOPEQDSA-N 470.532 3.712 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)c1cc(Br)ccc1OC 2235936782 RKTXDHPDMWQLMP-UHFFFAOYSA-N 494.043 3.675 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@H](CBr)C[C@@H]2CCOC2)c1 2240900382 CSBVZOSGJKXXJT-RYUDHWBXSA-N 452.130 3.520 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@H]2CCN(Cc3ccccc3)C2)C1 2242036355 KWBQMJBJVRYWEZ-OKZBNKHCSA-N 472.367 3.700 50 10 JHGE O=C(N[C@H](CBr)c1cscn1)c1c(F)cccc1I 2267661884 ZWFURNIEDAZGSY-SECBINFHSA-N 455.090 3.753 50 10 JHGE COc1cccc(NC(=O)C(C#N)=Cc2ccc(OC)c(COc3ccccc3C(N)=O)c2)c1 2295672262 HHZRKWCTFGMFPZ-UHFFFAOYSA-N 457.486 3.927 50 10 JHGE O=C(NCC(F)(F)CBr)c1ccc(I)c(Br)c1 2299800083 XQOOIQWWZOZJEK-UHFFFAOYSA-N 482.888 3.814 50 10 JHGE CCOC(=O)COc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 2314487157 CYDIRRCJWGFCRA-UHFFFAOYSA-N 465.531 3.995 50 10 JHGE CC(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338851085 CPPQATRPFRKXQV-RTBURBONSA-N 485.444 3.667 50 10 JHGE O=S1(=O)CC[C@H]([C@@H](CBr)Cc2cc(I)ccc2Cl)C1 2352429307 GNLKUPMRPZIHST-GXSJLCMTSA-N 477.589 3.933 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)[C@@H]1CC=CCC1 2364214945 QNMQJDPTQRRNFD-YLJYHZDGSA-N 497.455 3.882 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC 9696087 LMGPFUFPEOFPGU-CYBMUJFWSA-N 494.411 3.686 50 10 JHGE CC(C)c1ccc(OCC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 12580433 OZSWOUHKUUCBTP-UHFFFAOYSA-N 461.765 3.614 50 10 JHGE N#C/C(=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H]1CCS(=O)(=O)C1 35447049 JBEYILJEBXCFHZ-JPDLPQSDSA-N 490.629 3.550 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1OC 38649978 UEXVOEJXPUYGES-VWLOTQADSA-N 458.470 3.906 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38654713 RISPZLPWGXISSQ-QHCPKHFHSA-N 488.412 3.706 50 10 JHGE COc1ccc(COC(=O)N/N=C2/C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 59152814 XZQGHDHWQCHRIF-YYDJUVGSSA-N 460.446 3.781 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCOC[C@@H]1CBr 169234152 NCWQZFJSCYDDFO-QMMMGPOBSA-N 467.994 3.540 50 10 JHGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2C)cc(OCC)c1OCC 205933201 CMBNQJJLIVAKMG-XQNSMLJCSA-N 496.564 3.822 50 10 JHGE O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 206642972 INBLZKFXFOITBM-NVNXTCNLSA-N 476.514 3.523 50 10 JHGE CN1CCc2nc(N/C=C(/C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)sc2C1 216502247 GHJZZRUINSUCRW-NMWGTECJSA-N 498.656 3.884 50 10 JHGE COc1ccc(C(=O)NNC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)c(OC)c1 730581018 GZEBYKJYRGFZNY-DEOSSOPVSA-N 461.518 3.762 50 10 JHGE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NNc1nnc(-c2ccccc2)n1-c1ccccc1 915076775 ASESLSMKVIGPKR-XMMPIXPASA-N 466.545 3.913 50 10 JHGE C=CCn1nc(C)c(-c2cc(C(=O)NNc3c(F)cc(F)cc3Br)n[nH]2)c1C 1293974965 DEXVSFIVJYCUAW-UHFFFAOYSA-N 451.275 3.874 50 10 JHGE COc1cc2c(/C=N/NC(=O)CSc3nc4ccccc4s3)c(C(=O)O)n(C)c2cc1OC 1873496400 PPJAPUYBXAACMC-AUEPDCJTSA-N 484.559 3.746 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 1902961228 RELYHIZHSZUILT-FQEVSTJZSA-N 493.025 3.587 50 10 JHGE O=C(NCC1CC(Br)C1)c1cc(I)ccc1Br 2020168568 HOUHVMWSYOGOAC-UHFFFAOYSA-N 472.946 3.957 50 10 JHGE CC[C@H](C)[C@H](CI)NC(=O)c1ccc(I)cc1 2023037270 IZBCVHPFEAEBIJ-CABZTGNLSA-N 457.093 3.871 50 10 JHGE BrC[C@@H]1C[C@H]2OCC[C@H]2N1c1ncc(I)cc1Br 2069532217 SKBKCUIJSTVLRW-JMJZKYOTSA-N 487.961 3.580 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H](F)[C@H](CBr)C1 2086139993 WOIKDXOKYRZTHD-XCBNKYQSSA-N 490.936 3.859 50 10 JHGE CCN1CCC[C@H]([C@@H](Br)c2cccc(F)c2I)S1(=O)=O 2145777329 YUCLJVSTOMSMET-NEPJUHHUSA-N 476.149 3.680 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CCC(Cl)CC2)C1 2156010654 WZAKSPQVIMSZOH-UHFFFAOYSA-N 453.004 3.656 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2167011907 TZFAIHJGULIVTN-GPMSIDNRSA-N 497.455 3.667 50 10 JHGE O=C(c1cccc(F)c1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190673293 GOWYITPFFRQQAS-QZDOIJKTSA-N 456.068 3.909 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1Br)N1CC(SC(F)F)C1 2196690813 NKBLXNLPQQGAPU-UHFFFAOYSA-N 451.152 3.673 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2283662246 IYRKZQCSDNTYGG-JIMOISOXSA-N 470.532 3.712 50 10 JHGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)ccc12 2328804108 JTSJPLYJIFKKRY-UHFFFAOYSA-N 485.496 3.648 50 10 JHGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331331023 RBKZVKGUAFQTLU-UHFFFAOYSA-N 490.453 3.578 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](Br)[C@@H]1C2 2364214948 QOWYAWYOKCXVJV-AHRSYUTCSA-N 497.455 3.811 50 10 JHGE Cc1ccc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3ccc(C)cc3C)cc2)c(C)c1 13981227 GJMDCJWNWHUUQD-CMNXJCJSSA-N 486.572 3.978 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1C 14039500 ILZCOKNJRRMWHD-UHFFFAOYSA-N 475.545 3.941 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(Cl)cc1 14040748 YKURMZPMYNXLJJ-UHFFFAOYSA-N 469.950 3.747 50 10 JHGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)c1nn(CCO)c(N)c1C#N 33247226 OHQZGUJSIYYOSQ-YVLHZVERSA-N 464.323 3.735 50 10 JHGE Cc1ccc2c(Nc3ncnc(NNC(=O)c4cccc([N+](=O)[O-])c4)c3[N+](=O)[O-])cccc2n1 40658482 HIYYKACUDMDZNP-UHFFFAOYSA-N 460.410 3.650 50 10 JHGE CC(C)(C)[Si](OC[C@@H](CO)NC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1 204437373 DONGOSLMNAIDCP-HSZRJFAPSA-N 463.650 3.850 50 10 JHGE COc1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1OC 254402662 IAGSIQXQGHNOSA-YVJBDIRQSA-N 472.545 3.691 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3O)n2-c2ccccc2)cc1OC 254520596 PVKSYDWGBKFLAQ-UHFFFAOYSA-N 489.557 3.900 50 10 JHGE CN(C)S(=O)(=O)CCCOc1c(Br)cc(Br)cc1CBr 699180538 OZUJHHSNVNUOFV-UHFFFAOYSA-N 494.043 3.767 50 10 JHGE CC(C)CN1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 842571051 IAWDJLJOBAFNKJ-ZHZULCJRSA-N 450.974 3.824 50 10 JHGE Cc1nc(C(=O)NNC(=O)c2ccc(Br)cc2)nn1-c1c(Cl)cccc1Cl 1115975165 DBJKXYVDPZQMPF-UHFFFAOYSA-N 469.126 3.720 50 10 JHGE C=CCn1c(S)nc2cc(C(=O)NNc3ccc(OC)cc3C(F)(F)F)ccc2c1=O 1161396969 PLKBVMHXBMGZEN-UHFFFAOYSA-N 450.442 3.656 50 10 JHGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNS(=O)(=O)c1ccc(CBr)cc1 1260510631 OFRPQTVTGIGYCW-ZDUSSCGKSA-N 469.348 3.505 50 10 JHGE C=CCC[C@@H](NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 1653042372 VRGJWKSXVSXFSE-GOSISDBHSA-N 450.417 3.672 50 10 JHGE CCCCCN1C(=O)C(=NNC(=O)c2cc(Br)ccc2O)c2cc(OC)ccc21 1772720313 JHEJFESXNDOEFV-UHFFFAOYSA-N 460.328 3.834 50 10 JHGE O=C(NC[C@H](Br)CBr)c1cc(Cl)ccc1I 1981566714 VYURAALUVPUETC-ZCFIWIBFSA-N 481.353 3.833 50 10 JHGE BrCC12CC(CN1c1ncc(I)cc1Br)C2 1988533535 XASOHSYOMYQJEO-UHFFFAOYSA-N 457.935 3.812 50 10 JHGE CCn1cc(Br)c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)n1 2010560585 CPVNWUGTZRAOEA-CQSZACIVSA-N 459.182 3.718 50 10 JHGE O=C(NCC[C@@H]1COC[C@H]1Br)c1cc(Br)sc1Br 2048658495 GVOAWLZXXBPUMW-HTRCEHHLSA-N 462.001 3.803 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@H]1COC(C)(C)CO1)C(=O)OC(C)(C)C 2059309768 DUUDRIQOVJRWQG-RDTXWAMCSA-N 471.376 3.648 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H](CBr)[C@@H](F)C1 2086139994 WOIKDXOKYRZTHD-XVKPBYJWSA-N 490.936 3.859 50 10 JHGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cccc(F)c1I 2089392608 ZNKGZALTYJQIEZ-JTQLQIEISA-N 464.138 3.538 50 10 JHGE CN1CCC[C@@H]([C@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2089535867 OTZKJQWJUNNSDM-NWDGAFQWSA-N 478.577 3.758 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H]2C[C@@]1(CBr)CO2 2094650723 GFIWVKQBVGZZKA-AMIZOPFISA-N 453.956 3.590 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1scc(Br)c1Br 2122394372 WGQLBPISCYHFEW-YUMQZZPRSA-N 475.044 3.813 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC(OCCCCl)C1 2141972932 ISOMHGDSGCZDOY-UHFFFAOYSA-N 458.521 3.524 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H]2CC[C@H](Cl)C[C@H]21 2167010256 JPKLNMLNCZNTAJ-FUHIMQAGSA-N 453.004 3.655 50 10 JHGE O=S(=O)(N[C@@H](CCl)c1cscn1)c1cc(Br)ccc1Br 2175671763 YATVNGQGNUEXQX-VIFPVBQESA-N 460.600 3.927 50 10 JHGE Cc1ccc(I)c([C@H](Br)CS(=O)(=O)N2CCCCC2)c1 2240992315 WTSHANTUTOMAJR-CYBMUJFWSA-N 472.186 3.851 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2330878476 BYMVBQCWSKDBOT-FTLITQJKSA-N 474.012 3.755 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2364011499 AJPMLNOUQTZFQB-XSPKLOCKSA-N 470.003 3.627 50 10 JHGE O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1Br 14018135 NNGRMEISBUWACQ-UHFFFAOYSA-N 468.376 3.917 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1Br 14661534 ASBHRVJYLAUJHN-UHFFFAOYSA-N 486.160 3.620 50 10 JHGE COc1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 19646090 FZKYQYDDJSEBSG-FOKLQQMPSA-N 450.545 3.903 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(F)cc2)CCC3)cc1 101596157 NKARZSQHUGJCGK-ZXVVBBHZSA-N 462.481 3.581 50 10 JHGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C 110678649 AUMRIZRYTNGXMH-NRFANRHFSA-N 476.602 3.879 50 10 JHGE COc1c(Br)cc(/C=N\NC(=O)c2ccc(O)cc2)c(OC)c1Br 169886612 PHLYMLDIAASAKW-UWVJOHFNSA-N 458.106 3.698 50 10 JHGE C[C@H](CCBr)NC(=O)c1cc(I)ccc1Br 235442654 LTTHSKLUEXSNRP-SSDOTTSWSA-N 460.935 3.957 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2cccc([N+](=O)[O-])c2)cc1OC 252622460 NVUVHHLMCAEFRX-PXKVOTDBSA-N 488.500 3.923 50 10 JHGE COc1ccccc1OCC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 252624873 PXADNMJJZDDAAC-UHFFFAOYSA-N 467.909 3.895 50 10 JHGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(CC)cc2)ccc1OC(=O)c1ccccc1 254403734 LJXNLEGPDCNULY-UHFFFAOYSA-N 459.502 3.956 50 10 JHGE O=C(NN=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1cccs1 254741264 LPVDNHOAAROYCO-UHFFFAOYSA-N 499.574 3.821 50 10 JHGE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727951115 QJOKHJPGOUOYAB-XMMPIXPASA-N 475.520 3.702 50 10 JHGE CN(Cc1ccccc1F)C(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 748916252 HBRRHMLBGCURCM-KGENOOAVSA-N 471.492 3.712 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)c1 1176937230 HZCDERPMYKZJRZ-UHFFFAOYSA-N 456.506 3.686 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2COC3(CCC3)C2)C1 2020647860 ZMLVVKUQYHVGHQ-KDOFPFPSSA-N 451.345 3.919 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@H]1C[C@@H]1C1CCOCC1 2022694756 COFRKITVSGCMLB-RKVPGOIHSA-N 453.361 3.784 50 10 JHGE O=C(OCc1ccccc1)N1C[C@@H](NS(=O)(=O)CCC(CCl)CCl)C2(CCC2)C1 2106299091 UUSZODUWHCERFR-GOSISDBHSA-N 463.427 3.581 50 10 JHGE FC1(F)[C@@H]2COC[C@]21[C@@H](Br)c1cc(I)cc2c1OCC2 2161773003 BAPRQHYPBVSZQB-KGYLQXTDSA-N 457.052 3.944 50 10 JHGE O=C(OCc1ccccc1)N1CCC(F)(CNS(=O)(=O)c2cccc(CCl)c2)CC1 2162589943 VZPZFKYZJBQOPN-UHFFFAOYSA-N 454.951 3.845 50 10 JHGE Cc1cc(I)ccc1NC(=O)CN(C)C[C@H]1C[C@H](Br)C1 2196932603 ADSUSRJOHMNROD-HAQNSBGRSA-N 451.146 3.643 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCI)CC12CCOCC2 2214705980 XJKVVGCLPKXBFG-HNNXBMFYSA-N 452.377 3.597 50 10 JHGE CO[C@@H]1[C@H](OC)CN(C(=O)c2csc(Br)c2Br)[C@H]1CBr 2233359512 DNPZDGCKPTWTFA-XKSSXDPKSA-N 492.027 3.522 50 10 JHGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1cccc(C(F)(F)F)c1 2296878231 UUXZWCDMNROHEF-GOSISDBHSA-N 461.465 3.886 50 10 JHGE CCCOC(=O)c1cc(-c2ccc(C=C3C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)ccc1Cl 2297310600 XEFAAPAPMUVZRW-UHFFFAOYSA-N 468.893 3.751 50 10 JHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 2313619228 RLIAYZCVBYKXAI-UHFFFAOYSA-N 482.787 3.525 50 10 JHGE O=C(c1cccc(I)c1)N(CCCBr)C1CCOCC1 2381010726 FTOSVXCTOWPOEO-UHFFFAOYSA-N 452.130 3.697 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510862 UBUPRBUJQKOZJV-UHFFFAOYSA-N 477.586 3.585 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 12502395 JZNSYZPEFNPEEK-UHFFFAOYSA-N 497.187 3.780 50 10 JHGE COc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 14038657 IPQIRUSAOBXHHE-MRXNPFEDSA-N 450.491 3.608 50 10 JHGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40657901 NUEPUSAKTGDTKR-UHFFFAOYSA-N 486.286 3.606 50 10 JHGE COc1ccc(NC(=S)N[C@H](NC(=O)C(Cl)Cl)C(Cl)(Cl)Cl)cc1OC 101117890 JAPYVNGAEBUZTM-NSHDSACASA-N 469.605 3.606 50 10 JHGE O=C(CSc1nnc(-c2ccc3ccccc3c2)n1-c1ccccc1)NNC(=O)C(F)(F)F 253575457 UPRPWHGNCGKWCL-UHFFFAOYSA-N 471.464 3.889 50 10 JHGE COc1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1OC 254402659 IAGSIQXQGHNOSA-MSTGDDNBSA-N 472.545 3.691 50 10 JHGE O=C(CNc1c(Br)cc(Br)cc1Br)NN=Cc1cccnc1 254871932 IDFLWAMSGJJIRB-UHFFFAOYSA-N 490.981 3.931 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CCN2C[C@H](Br)C[C@@H]2C1 405248779 BRGQERIIUHYYRF-HTQZYQBOSA-N 473.028 3.567 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 761396093 BSFHPBVRRGKUPF-MIQLPHMESA-N 483.484 3.670 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC 914718178 KIRDFGHNWNIHFP-UHFFFAOYSA-N 450.451 3.640 50 10 JHGE O=C(CCC(=O)NN=Cc1cccc(Br)c1)NN=Cc1cccc(Br)c1 1084606628 APNSYQHRHKOMDT-UHFFFAOYSA-N 480.160 3.592 50 10 JHGE COc1ccccc1[C@H](CNC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)N(C)C 1087615071 ZRQAETNBQFCVNL-DNJVQFHFSA-N 450.583 3.619 50 10 JHGE COc1ccc(OC)c(C(=O)N/N=C(/C)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)c1 1615030260 AYWAGQFAYISZSW-NNMWSXDDSA-N 467.522 3.687 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)c1 1651317450 MQTOJEKAFLIUKX-IHPCNDPISA-N 456.612 3.801 50 10 JHGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860770966 DNOSDNGCOQZLIL-OUKQBFOZSA-N 488.569 3.775 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)COc4c(C)ccc(C)c4C)c(=O)c23)cc1 1865844843 ACRMIQGXNDEFDV-UHFFFAOYSA-N 490.585 3.585 50 10 JHGE Brc1cc(CO[C@H]2COC[C@H]2Br)ccc1I 1904373470 GIGLYGGLTITPOG-KOLCDFICSA-N 461.919 3.733 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](Br)C1 1995286275 RAUSXCMRCBMVPC-MRVPVSSYSA-N 458.919 3.663 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1sc(Br)cc1Br 2006147108 JRXNKAIFCRCKDR-HLORNFRZSA-N 465.026 4.000 50 10 JHGE C[C@@H](NC(=O)c1csc(I)c1)c1nnc(CBr)s1 2072471731 RKNZNWHFBSSMPE-RXMQYKEDSA-N 458.144 3.590 50 10 JHGE CN1CCC[C@@H]([C@@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2142285272 NQSHTKRFPZHYAM-RYUDHWBXSA-N 478.577 3.758 50 10 JHGE CN(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2163052202 AZNISFMCUZUZMI-INIZCTEOSA-N 461.422 3.992 50 10 JHGE Cc1cc(C(=O)NCC2(CBr)CCOCC2)ccc1I 2207100443 BUISMYIHXGHVEJ-UHFFFAOYSA-N 452.130 3.521 50 10 JHGE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCBr 2293601511 AVUBVWISVADZKM-UHFFFAOYSA-N 489.322 3.534 50 10 JHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 2313623743 CNFKQTUTWGPDSP-UHFFFAOYSA-N 458.543 3.596 50 10 JHGE COC(=O)c1cccc2c1c(C=NNC(=O)COc1ccc(C(=O)NC3CCCCC3)cc1)cn2C 2321697718 ORSBFUFXLCCOBN-UHFFFAOYSA-N 490.560 3.557 50 10 JHGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)NC(c2ccccc2)c2ccccc2)c1 2324825918 DMORAFHPSLXYQC-UHFFFAOYSA-N 469.497 3.985 50 10 JHGE CC(C)C[C@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338847664 OGKZTWINKVFCBN-QGZVFWFLSA-N 487.460 3.820 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1Cc1ccc(Cl)cc1I 2341012000 OCERVDXZMXLGNR-DGCLKSJQSA-N 457.581 3.844 50 10 JHGE C[C@@H]1[C@@H](Cl)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364195483 QNFHLHCWMQQDAU-YAJHFMINSA-N 453.004 3.653 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CCCl 2364215144 RIJFRYDPLNEJRG-ZWKOTPCHSA-N 455.020 3.760 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 12578214 GSKMMJRBRMJNST-CQSZACIVSA-N 452.338 3.944 50 10 JHGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)[C@H](O)c1ccccc1 100451084 KVFNVKMRDBRJJZ-GRKCXVTJSA-N 478.346 3.592 50 10 JHGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4)c(C)c32)cc1 101604198 YPNCLKYAZQGJQR-ZXVVBBHZSA-N 494.935 3.795 50 10 JHGE O=C(NC1(CCl)CCOCC1)c1cc(Br)ccc1I 230744546 REVYSURBOGCMHU-UHFFFAOYSA-N 458.521 3.572 50 10 JHGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2OC)c1 254411632 MODSVLAPVWICBY-OQMVFWCBSA-N 459.502 3.634 50 10 JHGE O=C(NN=Cc1ccc(Br)o1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 254439501 UVIFERAYLTZJQN-CCLOFHELSA-N 483.278 3.872 50 10 JHGE aggregator CCCOc1ccc(-c2c(C(=O)NN=C/C(C)=C/c3ccccc3)nnn2-c2nonc2N)cc1 254550989 XZKLZBLLJJNVIU-QEUOIPBQSA-N 472.509 3.507 50 10 JHGE CCOC(=O)c1sc2ncc(S(=O)(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)cc2c1C 726765055 UIDHSNBBXOTJQJ-UHFFFAOYSA-N 475.592 3.702 50 10 JHGE COCCn1c(C)cc(/C=C(\C#N)C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1C 790007241 PBQNEAPSKKTIJT-PXLXIMEGSA-N 490.535 3.838 50 10 JHGE O=C(NNS(=O)(=O)CCc1cccc2ccccc12)c1ccc(Cn2cnc(Cl)c2Cl)o1 1088700589 NJDADMJZFRWZOT-UHFFFAOYSA-N 493.372 3.791 50 10 JHGE CCCCCCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858961242 NVLLINMJGCACDG-UHFFFAOYSA-N 481.502 3.798 50 10 JHGE O=C(CCC(=O)c1ccc(Cl)cc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860770931 CGGZKFGEWZNCCB-UHFFFAOYSA-N 494.960 3.589 50 10 JHGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)ccc12 1873792636 JTSJPLYJIFKKRY-RWPZCVJISA-N 485.496 3.648 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2cc(Cl)ccc2I)C1 2109025699 WQVNFFYWNNSWLW-PSASIEDQSA-N 458.521 3.569 50 10 JHGE C[C@H](NS(=O)(=O)N1CCC(Br)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1 2162589738 UBGZNADLOBEJLL-ZDUSSCGKSA-N 462.410 3.788 50 10 JHGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)cc(CBr)c1F 2179863247 JFXZZMUHMJICDB-MRXNPFEDSA-N 455.393 3.924 50 10 JHGE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1C(=O)N1CCC(Br)CC1 2185168571 BQDFZPQAZKLLOI-CQSZACIVSA-N 454.356 3.980 50 10 JHGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1cc(Cl)ccc1I 2185319710 RWHGTSGNOSVCJN-KOLCDFICSA-N 472.548 3.959 50 10 JHGE O=C(c1cc(I)sn1)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2232010286 LGXRZWWVNGEHGC-QXEWZRGKSA-N 455.159 3.916 50 10 JHGE COc1cc(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)cc(OC)c1 2256308837 FBVYWWNRLJXQSS-SFHVURJKSA-N 465.328 3.939 50 10 JHGE CC(C)[C@@H](Br)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823919 GSISOYZACXQFHA-SFHVURJKSA-N 473.433 3.572 50 10 JHGE C[C@@H]([C@H](Br)c1ccc(Cl)cc1I)S(=O)(=O)N(C)C 2317778789 QCVPPSGSRUWOSA-CPCISQLKSA-N 466.566 3.661 50 10 JHGE CCN1C(=O)COc2ccc(C(C)=NNC(=O)c3ccc(-c4ccc(OC)cc4)nc3C)cc21 2321266325 MMFYDSXPVBMLFG-UHFFFAOYSA-N 458.518 3.965 50 10 JHGE Clc1ccc(CN2C[C@H]3CCO[C@]3(CBr)C2)cc1I 2337217690 AEIWCEWVCVEWHU-BXUZGUMPSA-N 456.549 3.930 50 10 JHGE Cc1oc(CSc2cc(I)ccc2Br)cc1C(=O)NN 2363644792 WFTWRSGQUYXBMV-UHFFFAOYSA-N 467.126 3.851 50 10 JHGE Cn1ccnc1Sc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 9283958 ASGYHASCXCGYKQ-XNTDXEJSSA-N 463.475 3.796 50 10 JHGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14016401 SQPNTLDOTWJFMW-UHFFFAOYSA-N 491.613 3.751 50 10 JHGE CC(C)CCN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2ccccc2Cl)c2ccccc21 33959059 DOUBUGWTDPOICN-SLMZUGIISA-N 454.958 3.763 50 10 JHGE Cc1cccc[n+]1[C@@H]1[C@H](c2ccc(Br)cc2)C(C#N)=C(C(C#N)C#N)N[C@]1(O)C1CC1 36020188 SDAQYBHKEWFTER-JRFVFWCSSA-N 475.370 3.513 50 10 JHGE O=C(NNc1ncnc(NCCN2CCCCC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40622754 LJAGMTDJGHGNCK-UHFFFAOYSA-N 475.553 3.558 50 10 JHGE C=CCN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)S/C1=N/NC(=O)Cc1ccccc1 100844285 YGUSHODXFHEKLZ-RUTJEMMPSA-N 497.374 3.504 50 10 JHGE COc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1Br 169918038 YBXGKBUUWDOKJU-CFRMEGHHSA-N 454.324 3.740 50 10 JHGE CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)NC[C@@H]1CCC[C@H](CN=C=O)C1)CC2 170288636 CKQXRHDJBOLPHX-ZWKOTPCHSA-N 499.999 3.912 50 10 JHGE FC(F)(F)Oc1c(I)ncc(I)c1CCl 396179366 KXXKKXFCVMRIEV-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE COC[C@@H](CCBr)NC(=O)c1ccc(I)c(Br)c1 721617227 WNXZIABIYVSJBN-SECBINFHSA-N 490.961 3.584 50 10 JHGE COc1cccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 725437580 NRHDZLNEMPXRIB-UHFFFAOYSA-N 457.939 3.694 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1)Nc1ccc(F)cc1 1084271542 MUDJBPQWSUVGCX-UHFFFAOYSA-N 468.872 3.585 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1(F)F 1260507558 PTQYXZILNXFQHY-AWEZNQCLSA-N 469.348 3.505 50 10 JHGE CC(=O)N[C@@H](C(=O)NNc1ccc(Br)cc1C)c1cccc(Br)c1 1630980940 GPKCDAWIMTVPOL-MRXNPFEDSA-N 455.150 3.841 50 10 JHGE O=C(NNC(=S)c1cccc(Cl)c1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 1865846427 ZHEMNCBMMHRYLZ-UHFFFAOYSA-N 453.882 3.890 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2cccc(Br)c2Br)C1 1899871855 BPVJXLYYIPZBSK-KTLJEJPDSA-N 455.972 3.884 50 10 JHGE Brc1cc(CO[C@@H]2COC[C@H]2Br)ccc1I 1904373471 GIGLYGGLTITPOG-MWLCHTKSSA-N 461.919 3.733 50 10 JHGE CN([C@H](CBr)C(C)(C)C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029212748 MQVXKCPNZWNSKJ-QGZVFWFLSA-N 473.433 3.524 50 10 JHGE O=C(CCl)c1cc(I)c(OC(F)F)c(I)c1 2060176415 JCGBYJUIGCIQRQ-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1CCBr 2090572618 OUZLCXSQZODZKS-VQIMIIECSA-N 485.444 3.716 50 10 JHGE BrCCOCc1cn(Cc2cc(Br)ccc2Br)nn1 2118523713 BKEXSVXFZWXQRF-UHFFFAOYSA-N 453.960 3.763 50 10 JHGE CO[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)[C@@H](CBr)[C@H]1OC 2233356840 RBIILCAQQZTQSR-QXFUBDJGSA-N 492.027 3.522 50 10 JHGE C[C@@H]1Oc2ccccc2C=C1C=NNC(=O)[C@@H](CC1=CN[C@H]2C=CC=C[C@H]12)NC(=O)OC(C)(C)C 2297639674 NHFYHSLTEXUUAY-VQROGVPDSA-N 476.577 3.834 50 10 JHGE CN(C(C)(C)CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825218 BZHIOLUUEXNDRP-UHFFFAOYSA-N 473.433 3.668 50 10 JHGE COc1ccccc1-c1ccc(C(=O)NN=C(C)c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)c(C)n1 2321282963 HEWFKXUIZOHMOA-QGZVFWFLSA-N 458.518 3.963 50 10 JHGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(OC)c1 14033086 ABLKFFVQPDQZHQ-UHFFFAOYSA-N 459.568 3.612 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccs1 14650289 BNAUMJHGCQVTDP-UHFFFAOYSA-N 456.387 3.639 50 10 JHGE Cc1ccccc1C(=O)N[C@H](C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C)C(C)C 45824343 QIZBJFJYDDNTDS-IBGZPJMESA-N 450.564 3.643 50 10 JHGE CC1(C)C[C@H](N=C=O)C[C@@](C)(CNC(=O)Nc2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)C1 170290080 SVDSYRDNWDMZPN-NPMXOYFQSA-N 460.579 3.745 50 10 JHGE C[C@@H](CCBr)NC(=O)c1cc(I)ccc1Br 235090274 LTTHSKLUEXSNRP-ZETCQYMHSA-N 460.935 3.957 50 10 JHGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1ccc([N+](=O)[O-])s1 252611334 IJBDHSGQRUCIQZ-UHFFFAOYSA-N 465.520 3.541 50 10 JHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(F)cc2)c2ccccc2)cc1 252641836 ZGMIONWTQFXNBI-UHFFFAOYSA-N 469.538 3.960 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccc(N(C)C)cc1 254908656 RNFUGXIWDYAQPO-UHFFFAOYSA-N 463.611 3.693 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CCN2C[C@@H](Br)C[C@@H]2C1 405264540 KXPLKRNLCAOFJR-JGVFFNPUSA-N 473.028 3.567 50 10 JHGE COc1ccc(Br)c(C(=O)NNC(=O)NCc2ccccc2OC(F)(F)F)c1 728743314 KFQATLYDGIYKOJ-UHFFFAOYSA-N 462.222 3.501 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c(-c2ccccc2)n1 914469764 GJINBJIOVKHOOL-RCCKNPSSSA-N 478.512 3.658 50 10 JHGE COc1cc(/C=C\C(=O)NNC(N)=S)cc(Br)c1OCc1ccccc1Cl 1082441840 BXVNIHXBHNXJCM-SREVYHEPSA-N 470.776 3.568 50 10 JHGE C=CCn1nc(C)c(C=NNC(=O)CSc2nnc(CNc3ccc(C)cc3)n2CC=C)c1C 1084506786 SDSHFUUWPAGXNR-UHFFFAOYSA-N 478.626 3.626 50 10 JHGE C=CC1(CC(=O)NNc2ccc([N+](=O)[O-])cc2Br)CN(C(=O)OC(C)(C)C)C1 1567901078 MBYZPPPDFZLUDZ-UHFFFAOYSA-N 455.309 3.614 50 10 JHGE C/C(=C/C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1OC(F)F 1631071861 BGQKJXFYLZZBGM-YPKPFQOOSA-N 453.511 3.911 50 10 JHGE CCOc1ccc(OCC(=O)NN=Cc2cc(Br)c(OCC)c(OC)c2)cc1 1772754179 PZUQRGHRANDCFN-UHFFFAOYSA-N 451.317 3.784 50 10 JHGE O=C(NC[C@@H]1C[C@H]1Br)c1cc(I)ccc1Br 1897148400 XVZJMLBBSSQFQW-QUBYGPBYSA-N 458.919 3.567 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2ccc(I)c(Br)c2)[C@H]1Cl 1911076532 WETOZDAIUSCZBT-WDEREUQCSA-N 458.521 3.568 50 10 JHGE CCN(CC)[C@H](C)COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2007012969 VTRUPMCJPIYGAM-OAHLLOKOSA-N 454.393 3.938 50 10 JHGE CN(CC(F)(F)CCl)C(=O)c1cc(I)ccc1Br 2033577107 XJFRWMKFPLXFSZ-UHFFFAOYSA-N 452.464 4.000 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc(N)c1Br 2061262714 SORGYPPPCMWZJR-UHFFFAOYSA-N 450.424 3.667 50 10 JHGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(I)ccc1O 2081236031 LKIKJFDPTFLUIK-LDYMZIIASA-N 473.092 3.576 50 10 JHGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1cc(Br)cc(Br)c1 2101337339 MQUASRXSVQZEKP-QPUJVOFHSA-N 455.972 3.741 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC[C@H](CBr)C2CCC2)CC1 2107389091 GZDHMAKXKSKINZ-QMTYFTJSSA-N 452.459 3.753 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2c(Br)cccc2Br)C[C@@H]1Br 2130816854 HXNCFDJWFLORMW-PPKCKEKNSA-N 455.972 3.882 50 10 JHGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)ccn1 2179818095 VIRUDEPPAOEJNC-HKUYNNGSSA-N 453.402 3.981 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2204090174 OUPKITRXXIMAAJ-OKZBNKHCSA-N 497.455 3.668 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@H](OCCCBr)C1 2207035224 ONZFDLREDXANEG-QMMMGPOBSA-N 467.632 3.729 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCO[C@@]2(CCl)C1 2239897019 VSSNAZFSTMXGAO-HZMBPMFUSA-N 470.532 3.524 50 10 JHGE CC(C)(CBr)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 2290042243 GQASRLJYCLGDFK-WCIQWLHISA-N 455.462 3.580 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2ccc(Cl)cc2I)[C@@H]1Br 2340054600 AFDHCNIOOUKUOH-QWRGUYRKSA-N 458.521 3.615 50 10 JHGE ClC[C@]12COC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349831368 SRXZPZRPNMHRLK-RISCZKNCSA-N 456.549 3.741 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CCl)CCC12CCC2 2364190204 KFHWVVZAHPCPIC-KRWDZBQOSA-N 453.004 3.799 50 10 JHGE CCCS(=O)(=O)/C(=C(/C(=O)c1ccc(C)cc1C)[n+]1ccccc1)[C@H](Cl)S(=O)(=O)CCC 3668231 GDBXBZDPCHBHQK-OXCLTMHRSA-N 499.074 3.857 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)cc1Br 10460373 PHTZSZIRMMXGSW-UHFFFAOYSA-N 454.777 3.679 50 10 JHGE O=C(CCCBr)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 12009440 JOCANZBXBAYIBR-UHFFFAOYSA-N 468.311 3.996 50 10 JHGE C=CCOc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14023730 WSNAAXVAJDDOAK-UHFFFAOYSA-N 498.171 3.925 50 10 JHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Cl)c1nc3cc4c(cc3nc12)OCO4 33808814 ZWJMFQYIIJRUEN-RPBOFIJWSA-N 478.936 3.802 50 10 JHGE COc1ccccc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40648382 DKONUCNDYFLSLQ-UHFFFAOYSA-N 459.260 3.656 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 40814399 CQJWLWZAHQIMJR-OVVQPSECSA-N 464.497 3.753 50 10 JHGE COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccn2)ccc1OCc1ccc(C(=O)O)cc1 59146794 AMZVIYHQBKFFHB-HEOQCTJZSA-N 465.531 3.998 50 10 JHGE CCC(=NNC(=O)c1ccc(Br)cc1)c1ccc(OCCN2CCOCC2)cc1 252597278 CRBYLIIRDNTBFF-UHFFFAOYSA-N 460.372 3.704 50 10 JHGE CCOC(=O)[C@H](Br)Cc1cc(I)ccc1Br 300900041 KOLIIPGXMULSGC-SNVBAGLBSA-N 461.919 3.923 50 10 JHGE CC1(C)C[C@@H](Br)C[C@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703966184 CVQJWLFOWJCDFH-GJZGRUSLSA-N 485.444 3.570 50 10 JHGE O=C(CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1)NNC(=O)c1ccccc1 1083934786 QUKBKWPLPOBEON-UHFFFAOYSA-N 487.545 3.596 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)cc(OC)c2OC)cc1 1084229194 UOUSWVNWGWHGJF-GOSISDBHSA-N 465.344 3.829 50 10 JHGE O=C(NCc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1084283284 YSUHAXOUZIYUID-UHFFFAOYSA-N 466.335 3.795 50 10 JHGE C=CCOc1cccc(NC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 1465381391 KWYHNHDCRJKVDU-UHFFFAOYSA-N 454.490 3.966 50 10 JHGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1cc(Cl)cc(Cl)c1 1860771378 UEJJXXPTFQAWOP-UHFFFAOYSA-N 473.341 3.893 50 10 JHGE COc1cccc(-c2nc(CC(=O)N[C@H](C)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866671640 OTEZNWLOFXNNKQ-CQSZACIVSA-N 450.520 3.918 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(Cl)nn2)cc1 1867270182 KIFHRWXLXAFVLX-SFHVURJKSA-N 455.902 3.822 50 10 JHGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Nc4ccccc4)cc3)C2)C1 1872961606 MFXRMQVBZZGWAO-SFTDATJTSA-N 498.587 3.560 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1877420117 RKLQUCHRLNINGT-FGTMMUONSA-N 455.393 3.728 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1sc(Br)cc1Br 2006148201 JRXNKAIFCRCKDR-HFEOUEFNSA-N 465.026 4.000 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC(I)C1 2024912955 SZWMMDHQEYAWGA-UHFFFAOYSA-N 470.941 3.564 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)[C@@H]2COC[C@H]21 2040602248 BGHMPSAJKPGNTK-VMHSAVOQSA-N 459.985 3.507 50 10 JHGE COc1cc(C=C(C#N)C(N)=O)cc(I)c1OCc1ccc(Cl)cc1 2053622579 FVCMOVCNIVFRDK-UHFFFAOYSA-N 468.678 3.924 50 10 JHGE CCNC(=S)NNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 2059876237 UYEDDAYMPPWDDZ-XYJFISCASA-N 451.658 3.912 50 10 JHGE O=C(Nc1c(I)ncnc1I)c1ccc(CCl)cc1 2121032753 HCULCOODJZDTJA-UHFFFAOYSA-N 499.477 3.677 50 10 JHGE CCC[C@@H]1CN(C(=O)c2cc(I)ccc2O)C[C@@H]1CBr 2205700947 CUJKYVBFEMAFRG-MNOVXSKESA-N 452.130 3.880 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ncsc2Br)C1 2226134025 NSIRJFVCDGSPPX-QMMMGPOBSA-N 496.084 3.659 50 10 JHGE Clc1cc(CN2C[C@H]3OCC[C@@]3(CBr)C2)ccc1I 2278853117 CYVSFBTXHGTVLT-ZIAGYGMSSA-N 456.549 3.930 50 10 JHGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296732231 LKINIYIINJWXBB-NRFANRHFSA-N 492.626 3.862 50 10 JHGE COc1ccc(C=NNC(=O)C(=Cc2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c(OC)c1 2297707760 INLMVGMRUCTSLK-UHFFFAOYSA-N 489.528 3.642 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CC2(CC[C@@H](CBr)O2)C1 2361878894 IBRCIGRJUOUOHA-JTQLQIEISA-N 467.983 3.980 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1 13976467 FPRQGZLHNKLOFT-UHFFFAOYSA-N 465.575 3.617 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 13976597 XCDGHQASNFUHBS-SBKJXLNCSA-N 468.362 3.505 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 14031264 KOYSIDAVRGUHSD-LBPRGKRZSA-N 470.378 3.885 50 10 JHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)c1 14041947 KGLQTLLWVSFWOP-UHFFFAOYSA-N 480.384 3.586 50 10 JHGE COc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OC)c1OC 20288064 RJPGDLNRHFFDRA-HAVVHWLPSA-N 486.528 3.672 50 10 JHGE CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCN(C(=O)C(Cl)Cl)CC1 95535895 GYWYPMQTZRHMDA-UHFFFAOYSA-N 480.179 3.956 50 10 JHGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(OC)cc2)cc1 100154396 NDPXSMRTHBWECE-UHFFFAOYSA-N 457.596 3.923 50 10 JHGE O=C(NCCCI)c1cc(Br)ccc1I 232460492 JYJMMJGJAGQXKU-UHFFFAOYSA-N 493.908 3.609 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2O)S(=O)(=O)c2ccccc2)cc1Cl 252596777 CMKLLLHKXLBYJA-UHFFFAOYSA-N 457.939 3.700 50 10 JHGE CC(=NNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccccc1O 254814485 LRWYEADPFAQYSY-UHFFFAOYSA-N 451.548 3.745 50 10 JHGE CC[Si](CC)(CC)O[C@@H]1[C@H](COS(=O)(=O)c2ccc(C)cc2)O[C@H]2OC(C)(C)O[C@@H]21 504753112 NEDGRUUEICONSF-NMLBUPMWSA-N 458.649 3.967 50 10 JHGE O=C(NNC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1)c1cccc2cccnc12 725866199 MONQBQDZTORZBO-UHFFFAOYSA-N 496.365 3.702 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1084289366 SUGRDOQWHOWVPO-OVCLIPMQSA-N 460.284 3.940 50 10 JHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Cl)Cc2ccccc2)cc1 1084564141 NWNGDBDVGYGNQV-UHFFFAOYSA-N 471.966 3.690 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)CC[C@@H]21 1260505952 XSCZHYWQIIKWRN-WBVHZDCISA-N 459.406 3.602 50 10 JHGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NN=c2cc[nH]c(C)c2)c1 1470367785 UXERRODJOGDVEU-UHFFFAOYSA-N 456.955 3.604 50 10 JHGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)Cc1cccc2ccccc12 1540637085 ZGKRDSVKRWPHSO-UHFFFAOYSA-N 455.308 3.574 50 10 JHGE C=CCNC(=S)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1628566341 RNQBKAIRWDLRKW-UHFFFAOYSA-N 456.369 3.597 50 10 JHGE Clc1ccc(CO[C@@H]2COC[C@@H]2I)c(I)c1 1901597254 STFNHUMNEPJQNF-WDEREUQCSA-N 464.468 3.664 50 10 JHGE CN(C[C@H]1C[C@H]1Br)C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 2020198256 KTCWXXGJPOAATQ-KFWWJZLASA-N 451.283 3.866 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@@H]1COC(C)(C)CO1)C(=O)OC(C)(C)C 2059309765 DUUDRIQOVJRWQG-KBXCAEBGSA-N 471.376 3.648 50 10 JHGE CCOc1ccc(I)c(C(=O)CCl)c1I 2060132501 FOAIMRYJAISSLY-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE CC(C)(C)C[C@@H](CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2100101355 GGUSEAZNUCBFKY-HNNXBMFYSA-N 487.460 3.676 50 10 JHGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NC(=O)[C@@H](Br)C2CCCC2)C(C)(C)C1 2132805251 UPPKIRWPUFAVAZ-RXBISOJRSA-N 451.427 3.964 50 10 JHGE C[C@@]1(C2CC2)CN(S(=O)(=O)c2ccc(CBr)o2)CCN1Cc1ccccc1 2179870564 NHKHHUNINWFLCM-FQEVSTJZSA-N 453.402 3.850 50 10 JHGE C[C@H](Br)CN(CC(C)(C)C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2272436610 CELPDMRMTPLMBA-INIZCTEOSA-N 487.460 3.914 50 10 JHGE COc1ccc(C(=O)N=C2NC(=C(C#N)C(=O)NCc3ccc(C)cc3)c3ccccc32)cc1OC 2296532739 SVJRRADQEBJAEV-UHFFFAOYSA-N 480.524 3.754 50 10 JHGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 2301022531 ZSVBXQOCCCODSO-LBPRGKRZSA-N 479.600 3.841 50 10 JHGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 2313860755 MWYQNHQKPSGHLU-UHFFFAOYSA-N 476.514 3.523 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1CCOCCI 2326654780 RVCRPSKLUZPCAE-OLZOCXBDSA-N 480.309 3.606 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)CCC2CCCCC2)c(Br)c1 14029292 WMULIXZMEDTEIR-UHFFFAOYSA-N 456.406 3.519 50 10 JHGE O=C(Cc1ccccc1)Nc1ccccc1C(=O)N/N=C/c1cc(I)ccc1O 20510133 UFODFVAUHNAQGC-ZVHZXABRSA-N 499.308 3.942 50 10 JHGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 40945729 NEAPWYKELMHEDO-SFQUDFHCSA-N 497.485 3.578 50 10 JHGE COC[C@@H](Br)CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 230144415 WFIXVSGELOFBSQ-ZETCQYMHSA-N 470.010 3.834 50 10 JHGE CO[C@]1(CCl)CCN(C(=O)c2cc(Br)ccc2I)C1 401602138 BRABAGZWMWFUIA-ZDUSSCGKSA-N 458.521 3.524 50 10 JHGE CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)CCCCl)c1 953055498 SYNIDNGHERUDEG-UHFFFAOYSA-N 457.958 3.783 50 10 JHGE COc1ccc(O)c(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2cc(OC)ccc2O)c1 1615948960 CTAOPWXYZQQMMC-XUIWWLCJSA-N 498.580 3.836 50 10 JHGE CC(=O)c1ccc(-c2ccc(C(=O)NNC(=O)COc3ccccc3Br)o2)cc1 1625191404 CDBGKLRVKLKLKK-UHFFFAOYSA-N 457.280 3.752 50 10 JHGE C=CCn1c(S[C@@H](C)C(=O)NNC(=O)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 1643334015 JZMZQHVPXSQCLX-AWEZNQCLSA-N 456.593 3.657 50 10 JHGE CCCCCN1C(=O)C(=NNC(=O)CCNC(=O)c2ccccc2Cl)c2cc(C)ccc21 1772720142 DHVCQYNPJSDECZ-UHFFFAOYSA-N 454.958 3.826 50 10 JHGE CCCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860769657 CBMXDHUKBUCUNL-JLHYYAGUSA-N 488.569 3.775 50 10 JHGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1C[C@H]1Br 1877420549 ZAYUWVPDRCRWAR-OWLYRPNTSA-N 455.393 3.727 50 10 JHGE O=C(C=Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=S)NC1CCCCC1 2042445768 BPCMPCDVRZMFTO-UHFFFAOYSA-N 493.054 3.982 50 10 JHGE C[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@H](CBr)O1 2092339364 CYYWOEMZGVKLPG-DTWKUNHWSA-N 455.972 3.836 50 10 JHGE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1CCCCCCCCCBr 2106781344 HBDMEYLFWMAGRZ-UHFFFAOYSA-N 455.459 3.995 50 10 JHGE O=C(NC[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(F)(F)F)OCc1ccccc1 2162585813 BAKARVWORXOOSJ-QGZVFWFLSA-N 464.893 3.604 50 10 JHGE O=C(c1cccc(I)c1)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2163353594 QAJIFLFXOJSSQS-GXSJLCMTSA-N 462.047 3.937 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179832053 FNVQRWMJGUJPIK-OALUTQOASA-N 453.402 3.992 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1CBr 2188880691 AVYKYNFGWNWWIY-PKOBYXMFSA-N 453.402 3.686 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CBr)cc1Br 2199022185 HKXGVCQOXHHEDF-AUTRQRHGSA-N 488.039 3.924 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@@H](CI)C(C)C)c1 2217397888 VPWKFWBUZAVGDU-LBPRGKRZSA-N 457.093 3.789 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@]12CCC[C@@]1(CCl)C2 2364209028 ODBOUJPWYWBNBX-VXKWHMMOSA-N 453.004 3.562 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)cc1 10672283 QNHHJRMSWQLZAK-MRXNPFEDSA-N 470.595 3.942 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1Br 12573258 CVKRECLMHHSGNX-UHFFFAOYSA-N 472.364 3.625 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(Br)c2)c(Br)c1 13977659 NELARNAWFCJIFF-UHFFFAOYSA-N 486.160 3.623 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1Br 14834011 PWMINNQVPUYMQO-WEVVVXLNSA-N 452.761 3.760 50 10 JHGE COc1ccccc1N(CC(=O)N/N=C(/C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 24494749 QBQNEKHEZSPTGO-UQQQWYQISA-N 455.511 3.570 50 10 JHGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 101340971 BNMHBTWDXRSPPB-OEAKJJBVSA-N 484.487 3.834 50 10 JHGE CCC(CBr)(CBr)NC(=O)c1ccc(I)cc1 232860376 BKFOKLXDEYMSIF-UHFFFAOYSA-N 474.962 3.960 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1 254843942 DHLWRYRLLTWRCQ-UHFFFAOYSA-N 488.569 3.954 50 10 JHGE C[C@@H](Br)c1cn(CC(=O)Nc2ccc(Br)cc2Br)nn1 313333081 LOCJLPVASSXNRR-SSDOTTSWSA-N 466.959 3.898 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)cc1 1084387022 VOILRSHSNLLOQN-UHFFFAOYSA-N 479.654 3.646 50 10 JHGE COc1ccc(-c2ccc(C(=O)N/N=C(/C)c3ccc4c(c3)N(C)C(=O)CO4)c(C)n2)cc1OC 1865763549 QUZDHEJPPKEJFS-MBTHVWNTSA-N 474.517 3.583 50 10 JHGE C[C@H](CCBr)N(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 1915086212 FRBXHJYNZDIANJ-OAHLLOKOSA-N 474.442 3.674 50 10 JHGE CCN(CCBr)C(=O)c1ccc(Br)cc1I 1995285679 JOWGBFRKIIUUBQ-UHFFFAOYSA-N 460.935 3.911 50 10 JHGE C[C@@H](CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)N1CCCC1 2013716620 UVFXHSODOOIYOC-YJBOKZPZSA-N 452.377 3.692 50 10 JHGE O=C=Nc1c(I)ccc(OC(F)(F)F)c1I 2060036432 HFOSRGYPIXHNAX-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE O=C(CBr)c1c(I)cc(S)cc1I 2060151216 RSGUNEYRJAQTPA-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl 2181744698 HLYIQDSQRQGEGY-UHFFFAOYSA-N 476.473 3.760 50 10 JHGE CN1CCN(C(=O)c2cccc(Br)c2Br)[C@H](CCBr)C1 2202811521 FQPPFHWNXYZLNN-SNVBAGLBSA-N 469.015 3.753 50 10 JHGE COC[C@@H](Br)CN(C)C(=O)Cc1cc(Br)cc(Br)c1 2277933270 QWZIEVSQCKGWRD-LBPRGKRZSA-N 457.988 3.622 50 10 JHGE O=S(=O)(NC[C@H]1CC[C@@H](CBr)CO1)c1cc(Cl)c(Br)s1 2279395248 VLTLQCGULPASNF-JGVFFNPUSA-N 467.632 3.632 50 10 JHGE CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2296280490 XWMVFTRZBFYBJF-IBGZPJMESA-N 496.972 3.698 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCOCCI)CC1CC1 2306798674 HFXFOQAJLYIHQS-MRXNPFEDSA-N 452.377 3.550 50 10 JHGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1OC 2314737914 BUEWHTDHNPQRFJ-UHFFFAOYSA-N 450.491 3.763 50 10 JHGE BrCCN(c1ncc(I)cc1Br)C1CCOCC1 2328334365 IXUILRDZDAVXAZ-UHFFFAOYSA-N 489.977 3.829 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)C(C)(C)C1 2338691337 QUTPVVCYQVDEII-ZETCQYMHSA-N 457.992 3.581 50 10 JHGE CC[C@@H](Nc1ccc(I)cc1C)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 2744610 VLXCIIRMGMWHJP-AGZSBTIMSA-N 472.308 3.910 50 10 JHGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)c(Br)c2)cc1C 10153527 OBFUPCIXKOKAHZ-APWZRJJASA-N 491.382 3.852 50 10 JHGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1I 14040213 VVAGRDJMNHHFKF-ZDUSSCGKSA-N 482.318 3.652 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc(C)c1 14650301 XKHWBOLLFKLNHO-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE CCCCCn1nc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c2ccccc2c1=O 107918020 XPODCRNIHRGNCA-IAGOWNOFSA-N 452.477 3.716 50 10 JHGE CC(CBr)(CBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 126507808 YWZJOCLFVCQSMB-UHFFFAOYSA-N 490.464 3.991 50 10 JHGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c(O)c2)cc1 254730598 VLJOWOAPRMEBMF-ILOYKCLFSA-N 459.502 3.808 50 10 JHGE Clc1ccc(I)c(CN2CCN3C[C@H](Br)C[C@@H]3C2)c1 405298168 LXNHLGBJRZCKMB-DGCLKSJQSA-N 455.565 3.598 50 10 JHGE CN(C)c1ccc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 1084349074 HMHUZUJZJHXWQJ-UHFFFAOYSA-N 457.563 3.638 50 10 JHGE CC(=O)CCc1ccc(OCC(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1 1457635736 ZRNABBGWHWLRBN-UHFFFAOYSA-N 459.428 3.601 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)cc1 1562550133 VDXVHHLUUAEFIV-HNNXBMFYSA-N 455.902 3.657 50 10 JHGE C#CC[C@@]1(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C 1638117281 QIHYXXKQCWRHFF-IBGZPJMESA-N 456.421 3.850 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 1644011365 GAWQRVHRMSZNMZ-OXJNMPFZSA-N 452.580 3.888 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(C)c(Br)cc2F)cc1 1672466160 IPOOOZNEVOZFLR-GFCCVEGCSA-N 452.280 3.719 50 10 JHGE CC(=O)N(C)c1ccc(NC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 1674020855 DQAGXDOOZBIXCJ-UHFFFAOYSA-N 450.470 3.854 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860770563 NPBBWCIZZFPXDR-UHFFFAOYSA-N 474.586 3.912 50 10 JHGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCC(=O)N(CC)CC 1865706647 BRQMGPRNLFQVGK-XMMPIXPASA-N 481.597 3.712 50 10 JHGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711508 AGCNTFBRTFHEFX-JOCHJYFZSA-N 473.489 3.781 50 10 JHGE O=C(N[C@@H](CCl)C[C@@H]1CCCO1)c1ccc(I)c(Br)c1 1926720605 ITDOYMMUSAWCOP-MNOVXSKESA-N 472.548 3.960 50 10 JHGE COC(=O)Cc1c(CBr)ccc(I)c1I 2055332035 VFCABCRSRANNKM-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE BrCCOCc1cn(Cc2c(Br)cccc2Br)nn1 2094093059 MIABXTLZHQQUQA-UHFFFAOYSA-N 453.960 3.763 50 10 JHGE Cc1cccc(C(=O)NC[C@@H](CBr)C(F)(F)F)c1I 2105268058 CRWXFIDPDRGYAV-MRVPVSSYSA-N 450.036 3.903 50 10 JHGE C[C@H](CBr)N1CCN(C(=O)c2cc(Br)c(Br)s2)CC1 2113065446 BVVXHFRUHVHCLX-MRVPVSSYSA-N 475.044 3.814 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@@H]2[C@H](C)Br)cc1Br 2125871099 RSXKZDNDCCLFST-VAOFZXAKSA-N 476.028 3.970 50 10 JHGE O=C(Cc1ccccc1I)N1CC[C@@H](CBr)C(F)(F)C1 2146375877 SSPNOVQTJPXTJO-NSHDSACASA-N 458.084 3.712 50 10 JHGE CC(C)(C)[C@@]1(CCl)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2160930204 DBJASUSHYSFRDV-JOCHJYFZSA-N 455.020 3.760 50 10 JHGE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163055203 FDASVMWEWFGADW-HOCLYGCPSA-N 461.422 3.895 50 10 JHGE CN1CCN(C(=O)c2cc(Br)cc(Br)c2)[C@H](CCBr)C1 2202834553 LDVOHJKFZCDMDQ-CYBMUJFWSA-N 469.015 3.753 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H](CBr)O1 2268341530 DZYYLNPDMYBKIT-PSASIEDQSA-N 458.521 3.569 50 10 JHGE BrC[C@@H]1CO[C@H]2CN(Cc3c(Br)cccc3Br)C[C@@H]2O1 2279862807 OEJRDWNSSRKBQW-IIMNLJJBSA-N 469.999 3.575 50 10 JHGE CC1(C)OCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@H]1CBr 2282894002 MXPUIVIQYJNXGC-QMMMGPOBSA-N 467.632 3.727 50 10 JHGE C[C@H](Br)C[C@@H](C)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316822722 TZQCBEYSUZLJDP-CVEARBPZSA-N 473.433 3.572 50 10 JHGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2328808878 ICORVUYLZSYVIR-UHFFFAOYSA-N 480.883 3.624 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C2(CC2)C1 2361483006 MIXMUROSDOBVNZ-OAHLLOKOSA-N 459.406 3.507 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1(CCl)CCCCC1 2364216601 PMNADOGWLVYLJP-UHFFFAOYSA-N 455.020 3.952 50 10 JHGE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2369475637 DMGWTXGERRKCLS-INIZCTEOSA-N 457.346 3.552 50 10 JHGE O=C(NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)c1cccc(I)c1 8396687 LRRLAMQBIUBUOH-UHFFFAOYSA-N 460.231 3.754 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccccc1Cl)c1ccc(NC(=O)C2CCCCC2)cc1 12501728 JZHNYZMEAAJOAY-UHFFFAOYSA-N 458.971 3.808 50 10 JHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)COc1cccc2ccccc12 12574015 BPLAJPQYRAGRPX-UHFFFAOYSA-N 498.992 3.621 50 10 JHGE CCOc1cc(C(=O)NNC(=S)Nc2cc(OC)cc(OC)c2)cc(OCC)c1OCC 13923873 HDGHQCDTXPMQBG-UHFFFAOYSA-N 463.556 3.531 50 10 JHGE CCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 14026199 HBODQAGKLWNQFJ-UHFFFAOYSA-N 486.160 3.840 50 10 JHGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1C 14032969 JRCXIJWUQPZFFA-UHFFFAOYSA-N 457.596 3.977 50 10 JHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1 14037217 BOANVZIZIJUPGS-UHFFFAOYSA-N 465.575 3.979 50 10 JHGE CCOc1cc(/C=N/NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 33468062 MFAYWSPNEPIHKC-BDOKZJFSSA-N 485.540 3.593 50 10 JHGE Cc1ccc2c(c1)/C(=N\NC(=O)CCNC(=O)c1ccccc1Cl)C(=O)N2CCC(C)C 33959343 WAGLRFBCTVJFDH-XAYXJRQQSA-N 454.958 3.682 50 10 JHGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 101340339 XKHBNKMKOIDNLC-UDWIEESQSA-N 462.502 3.556 50 10 JHGE COc1c(Br)cc(/C=N\NC(=O)c2cccc(N)c2)c(OC)c1Br 169894372 KSVDRDJHVAPIAM-ZBKNUEDVSA-N 457.122 3.575 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206403166 CBJHLSGJNUFQME-PDGQHHTCSA-N 462.458 3.505 50 10 JHGE CCOc1cc(C=NNC(=O)CNC(=O)/C=C\c2ccccc2)ccc1OC(=O)c1cccs1 254839587 BIDFCSOEVJYZCA-UUJFIWFNSA-N 477.542 3.646 50 10 JHGE COc1ccc(OC)c(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccc(Nc3ccccc3)cc2)c1 254883457 HACVUZFDMRMFHI-UHFFFAOYSA-N 489.532 3.907 50 10 JHGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1 256028636 ZPBKNPAPYCVMBR-UHFFFAOYSA-N 495.630 3.839 50 10 JHGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCC1 263631281 KJIUCSPMBCGXLU-UHFFFAOYSA-N 469.501 3.813 50 10 JHGE Nc1ccc(O)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382703098 DJJGQLVUVKWDIK-PBHICJAKSA-N 452.292 3.762 50 10 JHGE C[C@@H](Br)Cc1cn(-c2cc(Br)ccc2I)nn1 709372081 TYYCYHALSSWFIK-SSDOTTSWSA-N 470.934 3.960 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)NCc2cccc(NC(=O)NCc3ccncc3)c2)cc1 727031068 IBEGGOLZCCUGTB-UHFFFAOYSA-N 474.565 3.845 50 10 JHGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=S)Nc1ccc(OC)c(F)c1)O[C@H](C)C2 730596199 IFGDWUGFHNDQCX-ISTRZQFTSA-N 459.543 3.678 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1Cl 1083998033 ZLFHGKXCEFODON-UHFFFAOYSA-N 486.937 3.902 50 10 JHGE Cc1ccn2c(C(=O)NN=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)c(C)nc2c1 1084529921 WORCXZJZEAETJW-UHFFFAOYSA-N 459.481 3.872 50 10 JHGE C/C(=C\C(=O)NNC(=O)COc1ccccc1Br)c1ccccc1OC(F)F 1558131461 WJZCYLMVIXTUTO-ZRDIBKRKSA-N 455.255 3.680 50 10 JHGE CC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)ccc1C 1672651325 QATJOSDJRWSUIG-VWLOTQADSA-N 456.546 3.977 50 10 JHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772747487 CKGRBZNLEZQUOV-UHFFFAOYSA-N 459.502 3.646 50 10 JHGE CCN(CC)Cc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860773427 ZFKSUMOYFZJOLP-JAGRMCENSA-N 465.623 3.575 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCCCl)Cc1ccccc1 1914615178 VNEXTWYOXCVNJN-UHFFFAOYSA-N 462.999 3.914 50 10 JHGE CCOC(=O)c1cc(I)cc(CCl)c1I 2055322462 FSEXLDNDXMJBRL-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1csc(Br)c1Br 2072947332 MWHRKDUARORXHE-POYBYMJQSA-N 462.001 3.803 50 10 JHGE Cc1cc(=O)c(-n2nc(CBr)c(I)c2C(F)(F)F)c(C)[nH]1 2078933098 SCQFOHITNMMTFA-UHFFFAOYSA-N 476.034 3.696 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@]2(CBr)C1 2086147467 NLLAQKJINZXBNU-OQPBUACISA-N 484.957 3.911 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCOC[C@@H](CBr)C1 2098238509 QPAUNIDDLPERKD-VIFPVBQESA-N 455.972 3.695 50 10 JHGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1ccc(Br)cc1Br 2101335775 CVJWJKCMBLAWEJ-WCBMZHEXSA-N 455.972 3.741 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2ccc(Br)cc2I)[C@@H]1Cl 2142284126 YMJLAPNBNHJOAR-MNOVXSKESA-N 458.521 3.568 50 10 JHGE CCN1CCC[C@@H]([C@H](Br)c2ccc(F)cc2I)S1(=O)=O 2145758584 JJKZJIZQTWZALZ-QWHCGFSZSA-N 476.149 3.680 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146692305 JHRODGQTDWLINJ-RWMBFGLXSA-N 467.983 3.979 50 10 JHGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNS(=O)(=O)c1ccc(CBr)cc1 2162600870 JYPHWCMYISHCFC-GDBMZVCRSA-N 461.422 3.753 50 10 JHGE CC(C)N(CCOCCBr)C(=O)c1cc(I)ccc1F 2169666034 XVNICONNQSBBDO-UHFFFAOYSA-N 458.109 3.692 50 10 JHGE Cc1cc(C(=O)N[C@@H](CBr)C[C@H]2CCOC2)ccc1I 2207096248 JOHBQTMJDLBQBM-DGCLKSJQSA-N 452.130 3.520 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CCO[C@@]2(CBr)C1 2231364115 WFJMKJMFPWAIPQ-KRTXAFLBSA-N 474.012 3.899 50 10 JHGE COc1cc(CBr)cc(Br)c1OCc1nn(C)nc1Br 2235285370 IBZMZGGXWNWPQV-UHFFFAOYSA-N 469.959 3.823 50 10 JHGE CCc1nn(-c2nc(OC)ccc2CBr)c(CC)c1I 2239852854 JZDHSPNFBCNWIV-UHFFFAOYSA-N 450.118 3.900 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCI)C[C@H]1C(F)(F)F 2243586316 OEHHDYQYKFQRQF-VXGBXAGGSA-N 450.283 3.837 50 10 JHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])s2)c(OC)c1 2297708600 XXDQIHWYXLDNEU-UHFFFAOYSA-N 480.502 3.595 50 10 JHGE CCC(CBr)(CBr)NC(=O)c1cc(F)c(Br)cc1O 2339471514 WSHFJZAHKWLCQT-UHFFFAOYSA-N 461.951 3.962 50 10 JHGE CN(C1(CCl)CCSCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364206570 UJLWKXJPBFGYKK-UHFFFAOYSA-N 473.060 3.609 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC12CCC(CBr)(CC1)C2 2364213591 HTZUXOYNIJVCBZ-UHFFFAOYSA-N 497.455 3.860 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2[C@H](Cl)CCC[C@H]2C1 2364217194 UMIGRZVDAUYFHX-PWIZWCRZSA-N 453.004 3.512 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@@H]1C(C)(C)CBr 2364228164 JLIMRKSNRIJJAK-MRVPVSSYSA-N 472.019 3.971 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccccc2[C@H](C)CC)cc1 9872691 OPDQCWBQTVSGRB-MSOLQXFVSA-N 455.555 3.932 50 10 JHGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502740 CRNRGPDHKKTNLI-UHFFFAOYSA-N 495.004 3.913 50 10 JHGE O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 12502754 YQNFDOWWYVAPJG-UHFFFAOYSA-N 472.570 3.503 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040576 NOPWCTMBJIDOJV-UHFFFAOYSA-N 491.544 3.723 50 10 JHGE O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2)c1cccs1 24473648 PAURJYBNOZJPSM-SFHVURJKSA-N 467.616 3.881 50 10 JHGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38688735 ZBAMOKOOHLNHGM-DQEYMECFSA-N 486.480 3.667 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815677 VHDFRFYLYLQZSA-BYNJWEBRSA-N 470.573 3.950 50 10 JHGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cccc(Br)c2)c(OC)c1 40879233 PDRJCGQDNKATSL-MHWRWJLKSA-N 473.323 3.875 50 10 JHGE COc1ccccc1NC(=O)C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1cccc(C)c1 254490870 HNGSAYPLYXXTAQ-UHFFFAOYSA-N 453.502 3.945 50 10 JHGE C[C@@H](Br)c1ccccc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703972594 FOLOSVCJDDKYEY-CYBMUJFWSA-N 451.342 3.571 50 10 JHGE CC(C)(C)OC(=O)NCCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 742461008 FWKORABOPYAOIF-LGMDPLHJSA-N 468.945 3.665 50 10 JHGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1 1084064634 VQTOHWLPEMYSRO-FQEVSTJZSA-N 482.606 3.716 50 10 JHGE COc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Br)cc3)c2C)cc1 1084569524 FMZVAVGLMOBSON-UHFFFAOYSA-N 469.339 3.954 50 10 JHGE CCOC(=O)Cc1cnc(CBr)c(I)c1OC(F)(F)F 1848387725 QPSYIJBFIIBFMC-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE O=C(CC1CCCCC1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859007238 OSNYVRGSVQWGSX-UHFFFAOYSA-N 489.550 3.701 50 10 JHGE C[C@@H](C(=O)NNC(=O)c1cccc(C(F)(F)F)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770888 BDRAYEYPLPPMNA-NEPJUHHUSA-N 478.496 3.624 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c(C)c1 1865852483 YSQQZYNNCJYSFM-QGZVFWFLSA-N 466.607 3.685 50 10 JHGE CCOC(=O)c1cc(CBr)cc(I)c1I 2055238147 PTZSSCBZRJKMEA-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE CC(=NNC(=O)c1ccc(C)cc1)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 2069849957 AEWDNMQJEGJQDE-UHFFFAOYSA-N 451.504 3.648 50 10 JHGE O=C(Cc1ccccc1I)N1CCC(F)(F)[C@@H](CBr)C1 2143872894 LTMOOXAXMUZKNC-NSHDSACASA-N 458.084 3.712 50 10 JHGE O=C(c1cccc(Br)c1Br)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2148755168 XLQPTNLZYIAXQW-KPXOXKRLSA-N 467.983 3.979 50 10 JHGE CC(C)(C)OC(=O)NCC1(CNS(=O)(=O)c2ccc(CBr)cc2)CCCC1 2162585867 BPEKTDPQJSGHFK-UHFFFAOYSA-N 461.422 3.945 50 10 JHGE Cc1ccc(NC(=O)OC(C)(C)C)cc1CNS(=O)(=O)N1CCC(Br)CC1 2203843557 XCANGMMUAVQYOA-UHFFFAOYSA-N 462.410 3.536 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](N2CCN(CCCCCI)CC2)C1 2220224697 XOISBPXCEGOGLH-IAGOWNOFSA-N 465.420 3.655 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OC2(C3CCCCC3)COC2)C1 2250827651 DSFDKUPAIKUTRT-HUUCEWRRSA-N 451.345 3.775 50 10 JHGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCC(N)=O)c(Br)c1 6672463 ZWCADGZXOKVBFU-SDQBBNPISA-N 464.703 3.521 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 12502690 BROZBFBSYODHIJ-UHFFFAOYSA-N 460.559 3.503 50 10 JHGE CCN(CC)C(=O)CN1C(=O)/C(=C(\C#N)c2nc3ccccc3[nH]2)c2cc(Br)ccc21 34781299 NVTDMKHYBKHALE-LTGZKZEYSA-N 478.350 3.975 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](CBr)C2)cc1Br 158639881 ZPUBWHIIMTZKIM-SECBINFHSA-N 476.028 3.926 50 10 JHGE O=C(CSc1nc2ccccc2o1)NN=C1C(=O)N(CN2CCCCCC2)c2ccccc21 254615314 GJWJKRWEOQPNHL-UHFFFAOYSA-N 463.563 3.621 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 398745823 SBCJVHRWPRBRJZ-TUAOUCFPSA-N 450.114 3.632 50 10 JHGE CCn1nnnc1CC(CBr)(CBr)c1cccc(Br)c1 697898642 PGJGUECUNIUBEF-UHFFFAOYSA-N 467.003 3.726 50 10 JHGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)cc(Br)c1O 725445655 XOEDATPOPAIZRD-OAHLLOKOSA-N 456.134 3.881 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)c1 1176936988 CCUIMMPWJSNVPK-GOSISDBHSA-N 458.971 3.905 50 10 JHGE Cc1ccc(-n2nc(C(=O)NNC(=O)c3ccc(Br)cc3)c3c2CCC3)c(F)c1 1251694071 MZWBLYROORLAED-UHFFFAOYSA-N 457.303 3.646 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(Br)cc(Br)c2)[C@H]1Br 1911027406 SZFGWHFFKIJODC-GHMZBOCLSA-N 455.972 3.882 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@@H]1OCCOC1(C)C)C(=O)OC(C)(C)C 2066859954 JQUKOXACJQFPIS-KBXCAEBGSA-N 471.376 3.648 50 10 JHGE C[C@H](Br)C[C@H]1COCCN1c1ncc(I)cc1Br 2069533127 YSAPQDFAFRTZQS-WPRPVWTQSA-N 489.977 3.827 50 10 JHGE CCN(CC)S(=O)(=O)C[C@H](Br)c1ccc(F)cc1I 2089399965 JNYSXWOZMNHWJW-NSHDSACASA-N 464.138 3.538 50 10 JHGE C[C@@H](Cl)[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CCO1 2117517699 RZOSKMVTPCBTND-PELKAZGASA-N 458.521 3.522 50 10 JHGE C[C@@H](Br)[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CCO1 2117532651 NPAPLJJWKQXRBE-PRHODGIISA-N 455.972 3.836 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1c(Cl)ccc(N)c1Cl 2181744969 LHAGQTYYTIJZKC-UHFFFAOYSA-N 476.473 3.760 50 10 JHGE Cc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](C)Br)cc1I 2232839042 OTGYMKPGAYIWQF-DGCLKSJQSA-N 452.130 3.614 50 10 JHGE O=C(c1cc(I)sn1)N1CCC2(CC[C@H](Br)C2)CC1 2272426136 NZOVJRHVOOAQLM-VIFPVBQESA-N 455.159 3.918 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CC(C(C)(C)C)C1 2289840375 PMJNWYABFFASRM-UHFFFAOYSA-N 499.471 3.818 50 10 JHGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C(N)=O)c1C 2329700040 YGHDOTBCJRJFCS-UHFFFAOYSA-N 462.325 3.640 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2355761347 TXYBTHXWCYLQGY-TVYUQYBPSA-N 450.114 3.775 50 10 JHGE O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 3018243 CNVHETGCNYFVDM-CNHKJKLMSA-N 467.326 3.915 50 10 JHGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 13976184 AZEBYKYBXWFSHM-UHFFFAOYSA-N 490.585 3.579 50 10 JHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1 14030573 PYMIWRAMGWYUJH-UHFFFAOYSA-N 451.548 3.589 50 10 JHGE CC(=O)N[C@@H](CC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 15542941 PTZSPPHIADQPPI-DEOSSOPVSA-N 467.529 3.568 50 10 JHGE CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2cccc(OC)c2)ccc1OC 20438271 QQQZJYUVUFQYCA-UUOWRZLLSA-N 452.532 3.746 50 10 JHGE O=C(NNc1ncnc(N2CCCc3ccccc32)c1[N+](=O)[O-])c1ccc(Br)cc1 40647530 PCLKWQHYILVBJQ-UHFFFAOYSA-N 469.299 3.989 50 10 JHGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c(Br)c1 40960016 MQKKSALMILQPIS-SRZZPIQSSA-N 450.289 3.848 50 10 JHGE COc1cc(/C=C\C#N)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 41016339 CNRVIQPPZOVXPS-SREVYHEPSA-N 463.446 3.902 50 10 JHGE COc1cccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)c1 48573172 XUXMQQATISBHPN-JVWAILMASA-N 453.502 3.945 50 10 JHGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1 58886339 LOPPSCGAHJGXRA-IXJMWADBSA-N 456.134 3.881 50 10 JHGE COc1ccc(CCNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(C)cc3)c3ccccc32)cc1 102673677 FMRMVCQFBSOXCY-OCOZRVBESA-N 464.525 3.787 50 10 JHGE Cc1cc(C(=O)NNC(=O)[C@H](C)n2c(S)nnc2-c2cccs2)c(C)n1-c1ccccc1 110165579 DFHGDIUQGJWTGT-HNNXBMFYSA-N 466.592 3.725 50 10 JHGE COc1ccc(C(=O)NN=Cc2ccccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 252621387 MXNAZSBZRBAQOS-UHFFFAOYSA-N 464.474 3.704 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 705901269 ONFPWNSNIODUTK-HUUCEWRRSA-N 459.793 3.533 50 10 JHGE C[C@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(N2CCCC2)c1 726262505 GAHLRIRWTICFFP-KRWDZBQOSA-N 451.571 3.556 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 728597706 YMRXNJJRRWUGLG-SFHVURJKSA-N 459.388 3.970 50 10 JHGE C[C@@H](NC(=O)c1ccccc1I)c1nnc(CBr)s1 1877558872 SIZLVPDXATXKBI-SSDOTTSWSA-N 452.115 3.529 50 10 JHGE CC[C@@H](C)[C@H](CI)NC(=O)c1ccc(I)c(O)c1 2081236707 RDLFVCSXDCWEDY-KCJUWKMLSA-N 473.092 3.576 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1cc(Cl)ccc1I 2097945867 NICOFKWLJKUQDR-PSASIEDQSA-N 458.521 3.617 50 10 JHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1cc(Cl)ccc1I 2097945868 NICOFKWLJKUQDR-SCZZXKLOSA-N 458.521 3.617 50 10 JHGE CC1(C)CN(S(=O)(=O)c2ccc(CCBr)cc2)CCN1Cc1ccccc1 2179776358 TZZKJTLERFICIB-UHFFFAOYSA-N 451.430 3.909 50 10 JHGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CBr)ccn1 2179815833 GTLMECUHBSRPQV-SFHVURJKSA-N 452.418 3.650 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](Cl)C[C@@H]2C1 2204093450 JKYYMJGURHFFPZ-RCCFBDPRSA-N 453.004 3.512 50 10 JHGE Cc1ccc(C(=O)N[C@@H](CBr)c2cscn2)cc1I 2224629875 QZXRGXONQXKKFR-NSHDSACASA-N 451.127 3.922 50 10 JHGE COc1ccc([C@H](Br)C2(S(C)(=O)=O)CCC2)cc1I 2269543802 NCYNTOBWOSMPRT-LBPRGKRZSA-N 459.143 3.703 50 10 JHGE CC1(C)CN(S(=O)(=O)c2cncc(CBr)c2)CCCN1Cc1ccccc1 2283092745 OLUZHIKGEPQNJA-UHFFFAOYSA-N 452.418 3.652 50 10 JHGE Clc1ccc(CN2C[C@H]3COC[C@]3(CBr)C2)c(I)c1 2341052919 VORYQJHJZRBLQU-FZMZJTMJSA-N 456.549 3.788 50 10 JHGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1c(Br)c(Br)nn1C 2364006346 FAZXQSKRTGJTBR-JQCXWYLXSA-N 470.003 3.722 50 10 JHGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040912 GFQUHZFMIVQMQW-UHFFFAOYSA-N 481.936 3.978 50 10 JHGE COc1ccc(/C=C\C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1OC 33548046 UUPJWOAUDHMADU-DHDCSXOGSA-N 459.502 3.739 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c(OC)c1 38656840 IADZSZWRBPZRMZ-AREMUKBSSA-N 488.496 3.915 50 10 JHGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812072 NZVHGXIRIYUDTH-ZXVVBBHZSA-N 461.474 3.803 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccccn1 252622088 NOJSSZIFXQTCJI-UHFFFAOYSA-N 457.563 3.867 50 10 JHGE COc1ccc(CC(=O)NN=C2C(=O)N(CN(CC(C)C)CC(C)C)c3ccccc32)cc1OC 254841655 SFEWFJBXZYVRTB-UHFFFAOYSA-N 480.609 3.685 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2scc(Br)c2Br)C1 707817681 RSWAGGRLYKSBLL-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](CCC(N)=O)C2)c(-c2ccc(Cl)cc2)n1 727107947 IAJQJYPQQHNVGH-HNMKQIAWSA-N 464.957 3.528 50 10 JHGE O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Br)ccc1O 1084237104 BDOAWQDMDFHJOB-UHFFFAOYSA-N 461.194 3.644 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)c2cc(C)c(CC)s2)nnc1-c1ccccc1C 1643753235 LLZYZBVNUNTQAF-UHFFFAOYSA-N 455.609 3.925 50 10 JHGE C=CCOC(=O)c1sc(NC(=O)C(=O)Nc2ccc(SC#N)cc2)c(C(=O)OCC)c1C 1860748465 AOQUTBOJFGDTBV-UHFFFAOYSA-N 473.532 3.726 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708871 IAQFSLYBBNLPKQ-OAQYLSRUSA-N 465.469 3.859 50 10 JHGE C[C@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867080290 IDUQKALPVJNVLT-KRWDZBQOSA-N 483.594 3.925 50 10 JHGE CCCC[C@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1867220355 PFFVKFVRFMMUPG-QFIPXVFZSA-N 495.649 3.947 50 10 JHGE O=C(N[C@H]1CCOC[C@H]1CBr)c1cccc(Br)c1Br 1878695267 GCPHOSNOAZKVNT-KCJUWKMLSA-N 455.972 3.741 50 10 JHGE O=C(NC[C@@H]1C[C@@H]1Br)c1ccc(I)c(Br)c1 1991452483 AVKNXSTZOBHRBH-YUMQZZPRSA-N 458.919 3.567 50 10 JHGE O=C(NCC1CC(Br)C1)c1ccc(I)c(Br)c1 2020176047 GSAIOFIYNJBLCZ-UHFFFAOYSA-N 472.946 3.957 50 10 JHGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cccc(C)c1I 2089400276 NAMMBEJSJBJBRB-LBPRGKRZSA-N 460.175 3.707 50 10 JHGE O=C(c1cc(I)ccc1Br)N1[C@H](CCl)C[C@@H]2OCC[C@H]21 2146698508 JYPVFCQPQKBKQB-BIMULSAOSA-N 470.532 3.665 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179954085 JLIFUTNLSOYKGK-UHFFFAOYSA-N 465.404 3.725 50 10 JHGE C[C@@]12CC[C@@](CBr)(C1)N(C(=O)c1cc(I)ccc1O)C2 2199516429 NEISNVCAODUACQ-CABCVRRESA-N 450.114 3.777 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](OCCCCl)C1 2207054160 USTFCUJHUSQKBB-NSHDSACASA-N 472.548 3.914 50 10 JHGE Cc1cc(C(=O)N2C[C@@H](C)O[C@H](CCBr)C2)ccc1I 2207110440 HFHLJXICOHBILY-DGCLKSJQSA-N 452.130 3.614 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Cl)CC12CCCCC2 2241038304 AJKGUVKESYUVOZ-INIZCTEOSA-N 453.004 3.655 50 10 JHGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NNC(=O)c2cccnc2)cc1 2313683088 RMSDNUNAXFSKAL-UHFFFAOYSA-N 484.541 3.659 50 10 JHGE Clc1ccc(CN2C[C@@H]3CCO[C@@]3(CBr)C2)cc1I 2337217691 AEIWCEWVCVEWHU-FZMZJTMJSA-N 456.549 3.930 50 10 JHGE Clc1ccc(CN2CCN(CCCBr)CC2)cc1I 2337230143 PNFKMRPLQFNRMV-UHFFFAOYSA-N 457.581 3.847 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@H](CBr)O1 2340057871 OPGUYHNMGSDCFG-WCBMZHEXSA-N 458.521 3.569 50 10 JHGE NNC(=O)CCCCCCOCc1cc(I)ccc1Br 2367279414 LGXYXAVURVTLRR-UHFFFAOYSA-N 455.134 3.511 50 10 JHGE CCOc1ccc(NCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 1497673 SRLNHDWZBZFKIH-ZVBGSRNCSA-N 471.149 3.878 50 10 JHGE COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1CN1CCN(c2ccc(F)cc2)CC1 33734457 KBBGNYQXSGRYBA-VUTHCHCSSA-N 460.553 3.849 50 10 JHGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1ccc(Br)cc1 58989614 RZCWPHVVMPLKIJ-BUVRLJJBSA-N 487.427 3.562 50 10 JHGE Cc1ccc(NCc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2-c2ccccc2)cc1 59808413 GIIMMHLURSUKMV-UHFFFAOYSA-N 472.574 3.741 50 10 JHGE O=C(NC1(CBr)CC1)c1cc(I)ccc1Br 232476004 LMRKVXRNHAOQHP-UHFFFAOYSA-N 458.919 3.711 50 10 JHGE C=CCOc1cccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(OCC)cc2)c1 254798457 NYIMJAZEDWKHKE-UHFFFAOYSA-N 486.528 3.991 50 10 JHGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cc3ccccc3nc2O)cc1 254809101 WDBXTLMSQYBBKA-UHFFFAOYSA-N 467.485 3.590 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCCCCC1 713457558 IMNCVEQWBLRKKQ-UHFFFAOYSA-N 485.444 3.716 50 10 JHGE COC[C@H](CCBr)NC(=O)c1ccc(I)c(Br)c1 721617228 WNXZIABIYVSJBN-VIFPVBQESA-N 490.961 3.584 50 10 JHGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1084144011 ICQJTFYMSYJKTB-CJHPYJMRSA-N 456.458 3.554 50 10 JHGE CN(C)c1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084261870 DMDOVNUXRXSWEO-UHFFFAOYSA-N 470.982 3.752 50 10 JHGE CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1 1084340390 OPAOUMDXYMNKHL-ZDUSSCGKSA-N 471.546 3.796 50 10 JHGE CC(C)n1nc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c2ccccc2c1=O 1086999937 OXYSEDPVTPVPHD-IAGOWNOFSA-N 458.440 3.561 50 10 JHGE CC(=O)N/C(=C\c1cccs1)C(=O)NNc1c(Br)cccc1Br 1467491977 DEFYVQVTKPFPPH-JYRVWZFOSA-N 459.163 3.893 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)c1 1558199258 CNJLLDQCCQEONV-HXUWFJFHSA-N 450.564 3.520 50 10 JHGE CCOC(=O)Cc1c(CBr)ncc(OC(F)(F)F)c1I 1848387646 KZKWJOVXMQEWQC-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccn1 1865693569 PCYMIIPUGXJBFV-MRXNPFEDSA-N 457.412 3.912 50 10 JHGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1865852429 WAPSSXQKZZSXGJ-UHFFFAOYSA-N 490.585 3.748 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCC[C@H](CI)O2)C[C@]12CCCOC2 1950593452 NPGPAZMIDQXIRH-JLSDUUJJSA-N 451.345 3.919 50 10 JHGE C[C@@H](Br)c1ccccc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029233754 WZWAMMFGCLFFLH-CQSZACIVSA-N 465.369 3.961 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@]2(CCl)CCC[C@@H]12 2165230815 BMSBUSUHIJQQFH-KNQAVFIVSA-N 453.004 3.656 50 10 JHGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 2179833097 AACJMOCOUFTOTO-BGYRXZFFSA-N 455.462 3.868 50 10 JHGE CC(C)n1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)cc1CBr 2179860237 OUKLDELFTLRKGL-QGZVFWFLSA-N 454.434 3.859 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2OCC[C@]2(CCl)C1 2296380794 NTXPQEVLXDVYII-OCCSQVGLSA-N 470.532 3.524 50 10 JHGE Cc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccc(F)cc4)cc3)nc2s1 2297350795 WKUBMDMZNLCGNK-UHFFFAOYSA-N 461.478 3.723 50 10 JHGE C[C@@H]1N(Cc2ccccc2)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2304718099 LAAHKIBQTJXCTI-HTAPYJJXSA-N 469.673 3.600 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@H](Cl)C2 2364201614 ITHOPWWEXFYTMF-KCUHQSDYSA-N 453.004 3.558 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC[C@]2(C[C@@H](Br)CO2)C1 2365587437 XNPMLDCBPDDZTK-OTYXRUKQSA-N 470.532 3.713 50 10 JHGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(Cc2ncc(I)cn2)C1 2381292813 GCPPQJMKARTHED-NWDGAFQWSA-N 452.178 3.960 50 10 JHGE C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14038058 XQHQBPMJSLLMOH-CYBMUJFWSA-N 494.342 3.649 50 10 JHGE Cn1cc(Br)cc1C(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 16269808 JFUUKYVMOAMLCP-UHFFFAOYSA-N 458.156 3.900 50 10 JHGE O=C(NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-])c1cccc2ccccc12 40610858 SMEDUZVQUHURKC-UHFFFAOYSA-N 469.505 3.622 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NCCc2cccs2)c1[N+](=O)[O-] 40659578 KJCMYUZXVPMCCD-UHFFFAOYSA-N 483.337 3.930 50 10 JHGE COc1cc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 58929700 MTTLJUKAYSOGRT-RCDICMHDSA-N 477.473 3.829 50 10 JHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)C(=O)OC2=O 100959636 NPPWDZPRCICUEM-VSGBNLITSA-N 460.574 3.816 50 10 JHGE CO[C@@H]1O[C@H](CI)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 309685968 BTMDXQFGSXFKDC-FUMNGEBKSA-N 454.304 3.964 50 10 JHGE C[C@@H](Br)C1CN(C(=O)c2ccc(I)c(Br)c2)C1 721600491 BQXNBIQOOQFNPB-SSDOTTSWSA-N 472.946 3.909 50 10 JHGE Cc1ccc(-n2nc(C)c(CC(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)c2C)cc1Cl 728209631 JWXYJPJJXQXAFS-UHFFFAOYSA-N 488.013 3.577 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 920853082 IAWLDAGDIZGVPP-SXZORUHJSA-N 457.534 3.527 50 10 JHGE Cc1oc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Br 1083998316 CWYXPQJPHGWHBM-UHFFFAOYSA-N 494.342 3.835 50 10 JHGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccnc1 1084464362 PMQURKJHNXSQJN-UHFFFAOYSA-N 453.271 3.664 50 10 JHGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 1206204015 ZUOICCBREHMZIY-GFCCVEGCSA-N 452.280 3.773 50 10 JHGE C/C(=C\C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 1635244770 LLAUBIIHWCMDDI-UKYUDJEDSA-N 455.477 3.903 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nc(-c3cccc(Cl)c3)ns2)cc1 1670079819 YMPYXYVDGAHWBX-LBPRGKRZSA-N 459.915 3.681 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744102 TWJVAZHWTRNUQM-UHFFFAOYSA-N 482.899 3.926 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2cc(Cl)ccc2I)C1 1899905711 FTJHFUWDXZNXLC-SWZMTVOYSA-N 458.521 3.617 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](F)[C@H](Br)C1 2020430811 BFSBBZHBBKZHDC-BDAKNGLRSA-N 476.909 3.611 50 10 JHGE CCOC(=O)c1ccc(CBr)c(I)c1I 2055232200 GDSOAJYZHNATEW-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE CC1(C)CN(c2ncc(I)cc2Br)C[C@@H](CBr)O1 2069530113 VNVQNFWWLUNFEL-SECBINFHSA-N 489.977 3.827 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2I)C[C@H]1Br 2130824886 SRLOEWRTWJITNP-HLUHBDAQSA-N 458.521 3.615 50 10 JHGE C[P@]1(=O)C[C@@H](Cl)[C@@H](NC(=O)c2ccc(Br)cc2I)C1 2142276496 DLVXVHAYJOZFNW-OKAXRFMISA-N 476.476 3.766 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H]2COC[C@]2(CBr)C1 2226184129 VRMHIBOQCWSMNP-MADCSZMMSA-N 474.012 3.757 50 10 JHGE Cn1nc(Br)c([C@H](Br)c2ccc3c(c2Br)CCO3)n1 2229745517 CPNXITNGBKCYNF-SNVBAGLBSA-N 451.944 3.759 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCCC[C@@]2(CBr)C1 2238803656 VYMZJBMQFYKPRV-OPAMFIHVSA-N 497.455 3.526 50 10 JHGE COc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2295326901 BMAGZSMICHQLJL-UHFFFAOYSA-N 471.941 3.614 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(N3CCC[C@H](C)C3)nc12 2297065316 SIZQWQLEUZKCTJ-IBGZPJMESA-N 455.562 3.505 50 10 JHGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccccc1Br 2313739120 VMLQXBUDRDTPMD-UHFFFAOYSA-N 454.349 3.951 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OC)c(Br)c2)cc1 2314777260 VTLMNEBTFXDDNB-UHFFFAOYSA-N 485.334 3.746 50 10 JHGE CCCOc1ccc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1Br 2323098336 WXCZBXFNDNYIGW-UHFFFAOYSA-N 457.328 3.557 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2CCc3nccn32)CC1 2326866747 QAWCCTQWQSAWOZ-CQSZACIVSA-N 461.344 3.592 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)CC1(C)C 2338686993 SFZVNNGCHFTESS-ZETCQYMHSA-N 457.992 3.723 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC(Cl)C[C@@H](C2)C1 2364204673 GCEVAPZKEWMWLK-IAGOWNOFSA-N 453.004 3.512 50 10 JHGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CCBr 2364206690 VEIMZUDBJVASJV-KRWDZBQOSA-N 499.471 3.916 50 10 JHGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC 14654193 RFOJADCYPHUTTI-UHFFFAOYSA-N 492.395 3.752 50 10 JHGE COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2OC)o1 20228660 PHIKXVYSUPFUCV-BHGWPJFGSA-N 487.852 3.979 50 10 JHGE O=C(N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cc(Br)ccc1O 59152849 YHSFXFDHRGZFLM-GFMRDNFCSA-N 495.289 3.744 50 10 JHGE CCOc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)c(Br)c(Br)c1O 96487362 MPGQLAYULUKBOJ-SCDVKCJHSA-N 486.116 3.809 50 10 JHGE CC(CC(=O)NCc1ccc(Cl)cc1)=NNC(=O)c1cccc(I)c1 252641349 ZCJDGHFJFDDFKP-UHFFFAOYSA-N 469.710 3.757 50 10 JHGE COc1cc(OC)c(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 254682145 AYTWLLSMAZJPEN-UHFFFAOYSA-N 474.233 3.574 50 10 JHGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=S)Nc1ccc(OC)c(F)c1)O[C@H](C)C2 730596203 IFGDWUGFHNDQCX-PVUWLOKVSA-N 459.543 3.678 50 10 JHGE CC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(Br)c1O 916244353 UUNVEZBAQXBUAA-UHFFFAOYSA-N 457.078 3.979 50 10 JHGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1O 1084023206 GEIVAAOWZHWOFO-UHFFFAOYSA-N 474.233 3.661 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1cccc(C(F)(F)F)c1)c1ccc2c3c(cccc13)CC2 1084450416 XLFAXFCSGLUJFQ-UHFFFAOYSA-N 475.492 3.874 50 10 JHGE COc1cc(C=NNC(=O)C2CCCCC2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720231 JRGOLFZIMQMZKQ-UHFFFAOYSA-N 470.522 3.971 50 10 JHGE CC1(C)CN(S(=O)(=O)CCC(F)(F)CBr)CCCN1Cc1ccccc1 1879334555 UXEMPKLXOWRBGE-UHFFFAOYSA-N 453.393 3.723 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(Br)cs1 2010828546 HYAPIEVNVABIEA-UHFFFAOYSA-N 477.493 3.695 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](O[C@H]2COC3(CCCCC3)C2)C1 2017996776 YWPGIMPJHUBSAY-ILXRZTDVSA-N 451.345 3.918 50 10 JHGE Cc1cc(C(=O)N[C@@H](CI)C(C)C)ccc1I 2026130985 OJISWIWCTLTISG-LBPRGKRZSA-N 457.093 3.789 50 10 JHGE CN1CC[C@@H]([C@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2033094606 MPVNVPCSPYIKEI-ONGXEEELSA-N 462.001 3.682 50 10 JHGE O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1)OCc1ccccc1 2106768598 SQEPMKKTVCSLPS-IBGZPJMESA-N 481.412 3.909 50 10 JHGE CC[C@@H](Br)[C@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2114196105 HVYDWIRTNBQCBX-QZTJIDSGSA-N 485.444 3.667 50 10 JHGE O=C(c1cc(I)sn1)N1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2120025382 JBYWYABSTOIPNY-WCABBAIRSA-N 455.159 3.916 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)C1CCCC1 2162586264 GPAGLQCQXQYAJC-QGZVFWFLSA-N 461.422 3.943 50 10 JHGE C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CCN(C(=O)OC(C)(C)C)C1 2162588478 GKPDHYRDNLTNOV-ZBFHGGJFSA-N 461.422 3.895 50 10 JHGE C[C@H]1[C@H](C)N(S(=O)(=O)c2cc(CBr)n(C)c2)C[C@@H](C)N1Cc1ccccc1 2179808377 HQUYMMSAJBQYEP-IKGGRYGDSA-N 454.434 3.592 50 10 JHGE O=S(=O)(c1occc1CBr)N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179832906 QHYIWIJESWXGFG-MOPGFXCFSA-N 453.402 3.850 50 10 JHGE COc1cc(CBr)ccc1S(=O)(=O)N1CC[C@@H](COCc2ccccc2)C1 2179857620 BUDZOXLOIRAGNK-GOSISDBHSA-N 454.386 3.818 50 10 JHGE O=S(=O)(C1CC(CBr)C1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 2179947710 AACJMOCOUFTOTO-UHFFFAOYSA-N 455.462 3.868 50 10 JHGE CC(C)(C)OC(=O)N[C@@](C)(CNS(=O)(=O)c1ccc(CBr)cc1)C1CCC1 2202423805 VVFQDEXPIHEUQI-IBGZPJMESA-N 461.422 3.943 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCO[C@]2(CCl)C1 2239902905 JJZMDZUBXYDWLZ-LKFCYVNXSA-N 470.532 3.524 50 10 JHGE CC(C)(COc1ccc(B(O)O)c(C(F)(F)F)n1)CN(Cc1ccccc1)C(=O)OC(C)(C)C 2240287573 PTQCWWAHCMBXDT-UHFFFAOYSA-N 482.308 3.623 50 10 JHGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCCN(CCOCCI)C1 2326652629 AMZGGKMCQMIPGZ-DLBZAZTESA-N 466.404 3.940 50 10 JHGE CC(C)[C@@H]1[C@H](Br)CCN1C(=O)c1c(Br)c(Br)nn1C 2338689645 XLQMCZPGRCAADG-VXNVDRBHSA-N 457.992 3.579 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@@H](CCCBr)C1 2364015900 UJUYZMPNHSBRFV-SECBINFHSA-N 472.019 3.972 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CCCC[C@H]1CBr 2364228827 RKUWUWCGQIRAIW-DTWKUNHWSA-N 472.019 3.876 50 10 JHGE Cn1cc(I)c(CN2CCC[C@@]3(CBr)CCCC[C@@H]23)n1 2367611483 PMBKJDUUHLPWQV-HUUCEWRRSA-N 452.178 3.944 50 10 JHGE O=C(c1ccc(I)cc1)N(CCCBr)C1CCOCC1 2381014144 LBVRIAQLSSCNTD-UHFFFAOYSA-N 452.130 3.697 50 10 JHGE Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 13977780 KXUUYTUBVYZZEZ-RMKNXTFCSA-N 468.145 3.760 50 10 JHGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])c1 40619461 UOZGBFFURCDKEX-UHFFFAOYSA-N 489.286 3.665 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101616024 JCQWHHKNKSXBBZ-BUVRLJJBSA-N 470.938 3.848 50 10 JHGE CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CN(C(=O)NC[C@@H]1CCC[C@@H](CN=C=O)C1)CC2 170288633 CKQXRHDJBOLPHX-QZTJIDSGSA-N 499.999 3.912 50 10 JHGE COC[C@@](C)(CBr)NC(=O)c1ccc(I)c(Br)c1 721592203 FWLOLYMEMRHVFN-GFCCVEGCSA-N 490.961 3.584 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCC(=O)Nc2cccnc2)c(-c2ccc(Cl)cc2)n1 727737515 GMNFBJFQKIROJY-QGOAFFKASA-N 473.924 3.564 50 10 JHGE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 769739789 LQNZKPVFFMQWGI-UHFFFAOYSA-N 454.483 3.546 50 10 JHGE CC(C)CN1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 842571050 IAWDJLJOBAFNKJ-XSFVSMFZSA-N 450.974 3.824 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1 1084210753 MQNXPNSJXONDQM-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE O=C(CSc1nnnn1-c1ccc(Cl)cc1)NN=Cc1ccc(-c2ccc(F)cc2)o1 1084347023 KBTCXKNIWLMEMU-UHFFFAOYSA-N 456.890 3.957 50 10 JHGE O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 1084525873 MLDMHZAZVLJKJD-UHFFFAOYSA-N 490.900 3.733 50 10 JHGE C=CC[C@@]1(C(=O)NNC(=O)c2cccc(Br)c2)CCCN1C(=O)OC(C)(C)C 1531547193 BRRZFHXVDOCUFE-FQEVSTJZSA-N 452.349 3.556 50 10 JHGE CCOC(=O)Cc1cc(CBr)c(I)nc1OC(F)(F)F 1848387779 UURFGMNEZSLZBT-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE O=C(c1csc(Br)c1Br)N1CC[C@@H](OCCBr)C1 2046755920 CROWAWNXNHTODA-SSDOTTSWSA-N 462.001 3.899 50 10 JHGE COC[C@@](C)(CBr)NC(=O)c1ccc(Br)cc1I 2086154385 SZGYFZDAEQHDGJ-GFCCVEGCSA-N 490.961 3.584 50 10 JHGE O=C(NCC[C@H]1COC[C@H]1Br)c1cccc(Br)c1Br 2111327683 HQVYSSHXKMWTLD-GZMMTYOYSA-N 455.972 3.741 50 10 JHGE CO[C@@H]1C[C@@H](CCl)N(C(=O)c2ccc(Br)cc2I)C1 2142284471 COTOHWHWPHNCAO-VHSXEESVSA-N 458.521 3.522 50 10 JHGE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2163647592 YBNWFMLJIJNFNR-NVXWUHKLSA-N 461.422 3.895 50 10 JHGE CC[C@@]1(CBr)COCCN1C(=O)c1cccc(C)c1I 2169033355 OBVOUTZHORJXCQ-OAHLLOKOSA-N 452.130 3.616 50 10 JHGE O=C(N[C@H](CCl)C[C@@H]1CCCO1)c1ccc(Br)cc1I 2207267647 MZNUVCVCAPPNQM-QWRGUYRKSA-N 472.548 3.960 50 10 JHGE C[C@H]([C@@H](Br)c1ccc(Cl)c(I)c1)S(=O)(=O)N(C)C 2256330709 CQOOZJSPANKSJS-RDDDGLTNSA-N 466.566 3.661 50 10 JHGE Cc1ccc(B(O)O)c(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 2269556936 BUYYEWLTELBGDF-AREMUKBSSA-N 486.377 3.567 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1Cc2ccccc2C[C@@H]1CBr 2296513242 ZPQXDLNAXNXQTE-NJDAHSKKSA-N 450.398 3.886 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@H]1[C@@H]2CBr 2311865318 YLZKRGDWTQLTNR-KOLSJAJHSA-N 484.957 3.909 50 10 JHGE CN(C[C@H]1C[C@H]1Br)C1(C(=O)O)CCC(C)(NC(=O)OCc2ccccc2)CC1 2321845759 NJLMOSZAGTYKFR-FBIZOPLVSA-N 453.377 3.784 50 10 JHGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNCCc2ccc(Br)cc2)cc1OC 2325051821 UATSOCKODJPUNX-OAHLLOKOSA-N 458.356 3.883 50 10 JHGE C[C@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCCl 2364212781 ALHYNGGZBITMFB-PXNSSMCTSA-N 455.020 3.902 50 10 JHGE COCCO[C@@H]1[C@@H](Cl)C[C@@H]1OCc1cc(I)ccc1Br 2367611400 OYLDAKCOUOCXEC-MELADBBJSA-N 475.548 3.982 50 10 JHGE COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1Cn1cc([N+](=O)[O-])cn1 2945973 ZWGSONKFAXTLHH-LIMNOBDPSA-N 478.292 3.684 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC(C(F)(F)F)C(F)(F)F)C1 226033774 GBQSCAKNUAQPOL-BQBZGAKWSA-N 463.156 3.919 50 10 JHGE O=C(NN=Cc1ccccc1I)c1ccc(Cn2cc(Br)cn2)o1 252624578 PRCAKFAYLWVTME-UHFFFAOYSA-N 499.106 3.655 50 10 JHGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1coc2ccccc2c1=O 254841826 VWTLOLQDTICFHP-UHFFFAOYSA-N 482.525 3.678 50 10 JHGE COc1ccc(Br)c(C(=O)NNC(=O)c2cc(-c3cccc(Cl)c3)no2)c1 728526021 KTJLDBIGZRJEEN-UHFFFAOYSA-N 450.676 3.841 50 10 JHGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(CCOc4ccccc4)c4ccccc43)c2cc1C 1084027217 ACCOTXHIQICYES-UHFFFAOYSA-N 467.529 3.599 50 10 JHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084105286 GOVAJHMBFMFYIF-UHFFFAOYSA-N 465.378 3.896 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)cc1 1563043068 MHEKILSTGSVPHZ-LBPRGKRZSA-N 459.915 3.681 50 10 JHGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865696337 DTIFMXSZKCYYJE-IBGZPJMESA-N 482.338 3.964 50 10 JHGE N#C/C(=C\c1cccc(Br)c1)C(=O)N(CCCS(=O)(=O)O)C1CCCCC1 1866366343 AZFMKTAHYREUAB-FOWTUZBSSA-N 455.374 3.795 50 10 JHGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1c(F)cc(F)cc1F 1916363769 DSQRNLSOWXCRQX-ZDUSSCGKSA-N 452.292 3.705 50 10 JHGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@@H]1C[C@@H]1Cl 1991444474 ZRJLSLCFVFCISJ-WVFSVQOHSA-N 491.993 3.799 50 10 JHGE O=S(=O)(C[C@@H](Br)c1csc(I)c1)N1CCCCC1 2028943649 ZMIKFANAJRHKQZ-SNVBAGLBSA-N 464.188 3.604 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2cc(Br)sc2Br)C1 2046669394 NEXKKWPUHBEUNK-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE O=C(c1cc(I)ccc1F)N1CCC(CI)CC1 2050462105 BQMFUYVHVKAFCF-UHFFFAOYSA-N 473.067 3.718 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](F)[C@H](CBr)C1 2120595761 CHUJUIDXMFLFRZ-GMSGAONNSA-N 479.991 3.565 50 10 JHGE Clc1ccc(I)c(CN2C[C@@H]3OC[C@@H](CBr)[C@@H]3C2)c1 2121589168 WBMSQEUBNMJCNR-OSMZGAPFSA-N 456.549 3.786 50 10 JHGE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2162586824 MRKWFGLKANHXJG-MRXNPFEDSA-N 461.422 3.895 50 10 JHGE BrC[C@@H]1CO[C@H]2CN(Cc3cc(Br)ccc3Br)C[C@H]2O1 2279871252 QHOFZBBXSXUUFT-KWCYVHTRSA-N 469.999 3.575 50 10 JHGE N#CC(C(=O)NCc1ccco1)=C1NC(=NC(=O)c2cccc(Br)c2)c2ccccc21 2296842966 PBIBQLKGINWYNS-UHFFFAOYSA-N 475.302 3.783 50 10 JHGE O=S(=O)(Cc1ncsc1Br)N[C@@H](CCBr)COCc1ccccc1 2303537940 HTJKVMRVXPWUQB-ZDUSSCGKSA-N 498.262 3.695 50 10 JHGE CC[C@@H](C)[C@@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827845 VOPZCUVPIRBFMR-QAPCUYQASA-N 473.433 3.572 50 10 JHGE COCCN1C[C@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)C1 2337218927 NTAXDQTWFURUSZ-NEPJUHHUSA-N 458.565 3.829 50 10 JHGE C[C@@]1(C2CC2)CN(S(=O)(=O)[C@@H]2CC[C@H](CBr)C2)CCN1Cc1ccccc1 2355844459 AFXXVRDWOFAKLH-TYPHKJRUSA-N 455.462 3.866 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CCC[C@H]1CC(Cl)C2 2364195865 URUQELYFQZCRLN-ROUUACIJSA-N 453.004 3.797 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Cl)C2(CCCC2)C1 2364214053 KOFHURMOMCSELM-IBGZPJMESA-N 453.004 3.656 50 10 JHGE CS(=O)(=O)C1CC(CO[C@@H](CI)c2ccccc2Br)C1 2380701158 DORXBXCWJXJZSI-MGULZYLOSA-N 473.170 3.765 50 10 JHGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1cccc(Br)c1 58987096 MYFUMVBAEKOWGL-BUVRLJJBSA-N 487.427 3.562 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59884592 ICOAEXHFUIMUBL-HUSFYUSLSA-N 465.539 3.615 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCCN(CCBr)CC1 161196840 GCOFRVNJCPAAOR-UHFFFAOYSA-N 469.015 3.754 50 10 JHGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 217202197 BZKZDGUHTNLKCI-NOEYKIMYSA-N 461.518 3.835 50 10 JHGE O=C(NC1(CBr)CCOCC1)c1cc(Br)sc1Br 230746985 ZCXGVGSJLZWIIO-UHFFFAOYSA-N 462.001 3.947 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NNC(=O)Cc2ccccc2F)c(-c2ccc(Cl)cc2)n1 731328755 DWFWKYCHYLSTSA-PDGQHHTCSA-N 476.899 3.553 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccc(OCC3CC3)nc2)c(-c2ccccc2)n1 749242273 AJCGSLGIQLIORQ-LPYMAVHISA-N 452.518 3.871 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1083927865 WJYHGVCOFBVVRA-UHFFFAOYSA-N 478.417 3.885 50 10 JHGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)c2C)c1 1084001301 XXQFKXITEAQARE-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 1562263932 ZSRQGVVVLYRLFL-INIZCTEOSA-N 456.930 3.774 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)cc1 1669529950 LSBRDWVPDLNVIB-AWEZNQCLSA-N 459.474 3.604 50 10 JHGE CC(C)CCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1859001828 SCUJDCGDKSJCSO-UHFFFAOYSA-N 474.608 3.865 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CC[C@@](C)(CI)O1)CO2 2005247387 WONKQUXKRMFENF-FUHWJXTLSA-N 451.345 3.919 50 10 JHGE COC[C@@](C)(CBr)N(C)c1ncc(I)cc1Br 2015762461 LIRAWXYYJINESL-LLVKDONJSA-N 477.966 3.685 50 10 JHGE CN([C@@H](CBr)C(C)(C)C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029212747 MQVXKCPNZWNSKJ-KRWDZBQOSA-N 473.433 3.524 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2C[C@H](n3cccn3)C2)C1 2063774547 CONKYJLNLFTMQA-IIDMSEBBSA-N 461.344 3.808 50 10 JHGE Clc1ccc(I)c(CC[C@@H](Br)CN2CCOCC2)c1 2099488680 URLDNFHCIQGPEZ-GFCCVEGCSA-N 458.565 3.973 50 10 JHGE O=C(c1cc(I)sn1)N1CCC[C@@]2(CBr)CCC[C@H]12 2120030147 BDGSUEMALNPXIE-GXFFZTMASA-N 455.159 3.918 50 10 JHGE CCCOc1ccc(S(=O)(=O)N2CC(OCc3ccccc3)C2)cc1CBr 2179828995 WHOBFPBNTRIWLS-UHFFFAOYSA-N 454.386 3.960 50 10 JHGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)N2CCC[C@H](CCBr)C2)CO1 2179954611 PONRVFLPTQXJOP-RTBURBONSA-N 459.450 3.798 50 10 JHGE Cc1ccc(C(=O)N2CC[C@@H](OCCCBr)C2)cc1I 2232824769 CDVHOZZKNBNTRZ-CYBMUJFWSA-N 452.130 3.616 50 10 JHGE COc1ccc(OC)c(C=C2SC(=NNC(=O)c3ccc(Cl)cc3Cl)NC2=O)c1 2297709279 BMCHYBVUDNJFAT-UHFFFAOYSA-N 452.319 3.916 50 10 JHGE COc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCC(=O)Nc1ccccc1 2328829501 ULXYFYGEAPGPAK-FQEVSTJZSA-N 496.564 3.562 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@@H](CBr)CCC12CCC2 2364011500 AKTLAOMUFVPBCA-MRVPVSSYSA-N 470.003 3.867 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2364029104 MIJIZESPVKFMQX-PSVAKVPMSA-N 470.003 3.723 50 10 JHGE CC(C)(C)[C@H]1[C@@H](Cl)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213619 HYVAXCUSYUQGQS-RBUKOAKNSA-N 455.020 3.901 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510948 UCSFOBPOFSDRAX-UHFFFAOYSA-N 475.570 3.822 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCC(C)C)cc1 14655807 XOJMJZKFBKLVGE-UHFFFAOYSA-N 494.411 3.832 50 10 JHGE COC[C@H](Br)CN(C)S(=O)(=O)c1cc(Br)c(C)cc1Br 155825665 LGBKNHIGBYBHQT-SECBINFHSA-N 494.043 3.550 50 10 JHGE O=C(CNC(=O)c1ccccc1Br)NN=Cc1cccc(OC(=O)c2cccc(F)c2)c1 252627335 RSEGYVAADUWZBC-UHFFFAOYSA-N 498.308 3.688 50 10 JHGE COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC 254492256 HJVKVXQCGXSLMQ-UHFFFAOYSA-N 483.546 3.586 50 10 JHGE O=C(NC[C@@H]1CCC[C@@H](CBr)C1)c1cc(I)ccc1O 312494562 PREHIYFFBYRSQL-GHMZBOCLSA-N 452.130 3.928 50 10 JHGE O=C(O)[C@H](Cl)COc1c(I)cc(Cl)cc1I 390061767 VCDNFQCASGCPGR-RXMQYKEDSA-N 486.858 3.620 50 10 JHGE O=C(c1csc(I)c1)N1CCC(F)(F)[C@H](CBr)C1 403863206 CVIRSMHJIALAOZ-MRVPVSSYSA-N 450.086 3.845 50 10 JHGE CC(=NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1ccc(OCC(=O)N2CCCC2)cc1 730583936 RBEYDHXQBRSRJB-KRWDZBQOSA-N 465.579 3.638 50 10 JHGE CN(C)C(=O)c1cccc(CN(Cc2cccc(C(=O)N(C)C)c2)C[C@@H](CCl)n2cccn2)c1 825393054 JPRCFTZVSNTNDL-XMMPIXPASA-N 482.028 3.769 50 10 JHGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Br)cc1 1083892485 MFUMULQFRZYAIJ-UHFFFAOYSA-N 472.364 3.795 50 10 JHGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084378483 MQRLESRCRHCHNP-UHFFFAOYSA-N 482.899 3.894 50 10 JHGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)CCN3CCCC3)CC2)n1 1868389191 RGVVLSCWNCFTHB-UHFFFAOYSA-N 479.654 3.880 50 10 JHGE O[C@H](CBr)CSc1cc(I)ccc1Br 1887827945 NGPRIVRFXSMMRB-SSDOTTSWSA-N 451.949 3.902 50 10 JHGE O=C(N[C@@H](CCl)C(F)(F)F)c1ccc(Br)cc1I 2086146179 WHKNTSWVKHEMTB-QMMMGPOBSA-N 456.427 3.953 50 10 JHGE CCN1CCC[C@H]([C@H](Br)c2ccc(I)cc2)S1(=O)=O 2089536888 VNDKDSOQUYSZGY-CHWSQXEVSA-N 458.159 3.541 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)c1ccc(F)cc1Br 2096621970 RMHNNJBVWMIOKJ-UHFFFAOYSA-N 482.007 3.805 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCO[C@H](CCCl)C1 2116239549 UUSIRMQPUIWJJS-SNVBAGLBSA-N 458.521 3.524 50 10 JHGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CCBr)cc2)CN1Cc1ccccc1 2179775002 IYYXOOZSMRSREH-PXNSSMCTSA-N 451.430 3.908 50 10 JHGE CC(C)n1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)cc1CBr 2179860236 OUKLDELFTLRKGL-KRWDZBQOSA-N 454.434 3.859 50 10 JHGE O=S(=O)(C[C@@H](Br)c1c(F)cccc1I)N1CCCCC1 2282887362 DOGLCWYGGRCLQN-SNVBAGLBSA-N 476.149 3.682 50 10 JHGE CCOC(=O)[C@H](C)/C(C)=N/NC(=O)COc1c(C)cc(Br)cc1Br 12483522 TZCHZGMCMCLYQD-CPWHCIOUSA-N 464.154 3.590 50 10 JHGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)nc1 40814643 LXRFTKCJZBXIMA-OVVQPSECSA-N 461.478 3.851 50 10 JHGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccc(Br)cc4)c3N)CC2)c1C 54544369 VSEQFUWGRBYPDS-UHFFFAOYSA-N 496.413 3.522 50 10 JHGE C[C@@H](Br)C(=O)c1ccc(I)c(I)c1 307439152 VBHMSDXGMJEHKF-RXMQYKEDSA-N 464.866 3.862 50 10 JHGE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 727390930 AWTRFQSRIZTHGY-AQRZYSDFSA-N 480.565 3.926 50 10 JHGE COc1ccc(C(=O)NNC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)c(OC)c1 730581021 GZEBYKJYRGFZNY-XMMPIXPASA-N 461.518 3.762 50 10 JHGE C[C@@H](NC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1 761410319 LBEVVFWAMSCHQQ-MKYLKIGJSA-N 471.492 3.930 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2sccc2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084623196 WJAQDLFSRPWQHS-UHFFFAOYSA-N 487.603 3.728 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cc1F 1141846459 YXIKAPSVYKMIKT-MRXNPFEDSA-N 457.640 3.815 50 10 JHGE C=CCn1cc(C(=O)NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)nn1 1349593755 SOBMDXGHFZQLMP-UHFFFAOYSA-N 453.502 3.785 50 10 JHGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1 1558201091 PCLCINJBKNKOIL-UHFFFAOYSA-N 451.552 3.856 50 10 JHGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CCOCCI 1904643825 ZKMIVIZADWEQMH-OALUTQOASA-N 474.383 3.950 50 10 JHGE O=C(N[C@H]1C[C@@H](CBr)C1)c1cc(Br)ccc1I 1942440127 WJQYHPJITPBDIY-OTSSQURYSA-N 472.946 3.957 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ncc(Br)cc1F 2061261686 CHMZREDJSDEERI-UHFFFAOYSA-N 454.387 3.619 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1cc(Br)sc1C 2081252822 BDKZVXLOUZBTLH-APPZFPTMSA-N 466.204 3.947 50 10 JHGE CCCN1CCC[C@H]([C@@H](Br)c2csc(I)c2)S1(=O)=O 2089519946 SJGZFZMSMUENCS-PWSUYJOCSA-N 478.215 3.993 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CC[C@H](OCCBr)C1 2109126715 WPDOLTCAVUZPGA-VIFPVBQESA-N 455.972 3.838 50 10 JHGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2144830289 HXVJXTGRLCJGDF-ROUUACIJSA-N 469.832 3.940 50 10 JHGE NNC(=O)c1sncc1COc1c(Br)cc(Br)cc1Br 2173344138 NTDORXQICFERKP-UHFFFAOYSA-N 485.983 3.613 50 10 JHGE O=C(c1ccc(F)cc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190678419 LJWUKDYKOSKIHV-YPWHJJHSSA-N 456.068 3.909 50 10 JHGE Cc1cccc(C(=O)N[C@H](CBr)C[C@H]2CCOC2)c1I 2195479606 RJOMAUWRUPDHTK-NEPJUHHUSA-N 452.130 3.520 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CCl)C[C@H]2CCCC[C@@H]21 2240733031 MOKCJXFJHPVGQJ-GJYPPUQNSA-N 453.004 3.511 50 10 JHGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N2CCOCC2)cc1 2296543662 VZOJUSXKYMVQRS-UHFFFAOYSA-N 458.518 3.550 50 10 JHGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 2314476530 QBIXTZCFCPXTJY-UHFFFAOYSA-N 476.558 3.794 50 10 JHGE CCN(CC)CCOc1ccc2c(c1)C(=NNC(C)=O)c1cc(OCCN(CC)CC)ccc1-2 13765123 DSQKSPODJAQYMR-UHFFFAOYSA-N 466.626 3.997 50 10 JHGE CCCOc1c(Br)cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1OC 24319823 KJYGXCMGWAWADX-UHFFFAOYSA-N 460.328 3.813 50 10 JHGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)n1 40814641 PLORWPCPDXKCKM-OVVQPSECSA-N 461.478 3.851 50 10 JHGE COCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)cc2oc1=O 40894304 JXJOEFNCRABVQI-UDWIEESQSA-N 460.486 3.805 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2C)CCC3)cc1 101593965 KHAVGPMQSPIGIM-NHFJDJAPSA-N 458.518 3.750 50 10 JHGE O=C(N[C@H]1CCCN(CCBr)C1)c1cc(Br)ccc1Br 384677132 FJFPKBZUCJOAPJ-NSHDSACASA-N 469.015 3.801 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(C)n1C1CCCCC1 725906846 GZIXAZQLDIMBMZ-CAZPATRMSA-N 453.631 3.576 50 10 JHGE COc1ccc(-c2cnc(CCC(=O)NNC(=O)c3cc(OC)ccc3Br)o2)cc1 728525651 DOQOGFKODNOXCI-UHFFFAOYSA-N 474.311 3.515 50 10 JHGE C=CCOc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1 1084603436 AGWWJCGZCUYGEC-UHFFFAOYSA-N 477.586 3.635 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(Cl)cc(Br)c2)cc1 1670741256 ZWUOLSPBZCHABZ-LLVKDONJSA-N 454.708 3.925 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751565 USNBMYWMAWIORX-UHFFFAOYSA-N 481.512 3.681 50 10 JHGE CCOC(=O)Cc1c(CBr)cnc(I)c1OC(F)(F)F 1848387809 XAPSKTXBLVXSPG-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771245 OFXHANLOFPEHRI-IRXDYDNUSA-N 466.607 3.623 50 10 JHGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1960074752 UBRRFBNSNYVXJO-JPYJTQIMSA-N 480.989 3.860 50 10 JHGE O=S(=O)(c1csc(CBr)c1)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123229467 KKGBEQDWONXLSF-DLBZAZTESA-N 455.443 3.786 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CC2(C1)OCCC[C@H]2Br 2159658580 HDDGGNVANNJVIZ-GFCCVEGCSA-N 467.983 3.980 50 10 JHGE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CBr)cc1 2163057272 ZUKDLGKKOSBONH-ZBFHGGJFSA-N 461.422 3.895 50 10 JHGE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2163647591 YBNWFMLJIJNFNR-DOTOQJQBSA-N 461.422 3.895 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179831552 YHBLQHOMUXJARC-RBUKOAKNSA-N 453.402 3.707 50 10 JHGE O=S(=O)(c1ccc(F)c(CBr)c1)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188885018 LXDRTBBOAFDHIZ-OXQOHEQNSA-N 453.377 3.616 50 10 JHGE CN1CCN(C(=O)c2ccc(Br)cc2Br)[C@H](CCBr)C1 2202834395 JFIUGBWPYRUTFT-LLVKDONJSA-N 469.015 3.753 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCOC[C@@H]2C[C@@H](C)Br)c1 2240922360 DWRZELPYMRYCMW-NEPJUHHUSA-N 452.130 3.614 50 10 JHGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(Cl)c1O 2295483011 QVJAQQJSWJBQNW-UHFFFAOYSA-N 493.903 3.704 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2COCC2(C)C)C1 2301193701 DNIYBMLJEJLOTO-KBXCAEBGSA-N 453.361 3.880 50 10 JHGE CC[C@H](C)[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823006 WTFIWZQCEWZZDJ-MAUKXSAKSA-N 473.433 3.572 50 10 JHGE C[C@@H](NC(=O)C(C#N)=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C12CC3CC(CC(C3)C1)C2 2318469955 ZWNAKJWWCUGGCV-FRYXCQQQSA-N 476.621 3.661 50 10 JHGE Cc1sc2ncn(CC(=O)NN=Cc3cc(Cl)ccc3O)c(=O)c2c1-c1ccccc1 2325904180 OUPZSMRDFLAEIX-UHFFFAOYSA-N 452.923 3.943 50 10 JHGE CC1(C)CC(CBr)(CN=[S@](C)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 2345004993 SCJWTVAMHBIEHL-SANMLTNESA-N 452.459 3.753 50 10 JHGE O=S(=O)(c1sccc1Br)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370237938 FEHUIZWKXGAURU-HTRCEHHLSA-N 457.131 3.990 50 10 JHGE CC(=O)N1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2cccc(Cl)c2)C3)c2ccccc21 2348553 QGOWFMNANXUBOE-BZQUYTCOSA-N 459.889 3.596 50 10 JHGE O=C(CCc1ccccc1)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 12503310 GGXKUOLERXDWTP-UHFFFAOYSA-N 486.391 3.636 50 10 JHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 14012700 LOQLKCFJYUZSLM-UHFFFAOYSA-N 476.558 3.595 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016920 OHZNHFNTYZUNBT-UHFFFAOYSA-N 467.566 3.779 50 10 JHGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3CCC[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 97495014 YIPPELVACFSUGT-SBGXLDQMSA-N 462.575 3.886 50 10 JHGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccccc2C(F)(F)F)sc2c1CCCC2 254763887 JHRHYSGUVZERMD-UHFFFAOYSA-N 467.469 3.911 50 10 JHGE O=C(CBr)c1ccc(F)c(I)c1I 306523501 SRTMSQUDKMGIGJ-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE CO[C@H]1C[C@@H](CCl)N(C(=O)c2ccc(I)c(Br)c2)C1 721620329 OPXQUXYOISISKG-UWVGGRQHSA-N 458.521 3.522 50 10 JHGE COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 730872031 BPDCFZPTUYHYHC-MOPGFXCFSA-N 452.894 3.610 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)Nc1ccccc1Cl 1084493575 VNDZGZHEYWLIRC-UHFFFAOYSA-N 499.354 3.777 50 10 JHGE C=C(CN(C)C)C(=O)NNc1c(Br)cc(Br)cc1Br 1544537475 DMSOREATEUCJSD-UHFFFAOYSA-N 455.976 3.535 50 10 JHGE COCCCN1C(=O)c2ccc(C(=O)Nc3sc(/C(C)=C/C#N)c(C)c3C(=O)OC)cc2C1=O 1873427095 GRQFDPAOWBDIPZ-MDWZMJQESA-N 481.530 3.655 50 10 JHGE Cc1c(CN=[N+]=[N-])cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B(O)O 1887520664 YJJCNELBIRLMEH-UHFFFAOYSA-N 497.364 3.556 50 10 JHGE C[C@@H]1CN(c2ncc(I)cc2Br)C[C@H]1CBr 1896466993 XNAXKDGAUVZXIQ-HTQZYQBOSA-N 459.951 3.916 50 10 JHGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1cc(Br)sc1Br 2039822356 RVOWJGKRJGJYDC-NKWVEPMBSA-N 462.001 3.803 50 10 JHGE CC1(C)CO[C@H](CBr)CN1c1ncc(I)cc1Br 2069525939 OJZYOYBXWOUCIS-SECBINFHSA-N 489.977 3.827 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1occc1CBr)C2 2179829490 BKSOEYOALSWZGO-WOJBJXKFSA-N 453.402 3.707 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)C1CCC(CBr)CC1)C2 2179831255 VCWNTPXNMUJMOM-WDQDQHCCSA-N 455.462 3.724 50 10 JHGE CCCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)cc1CBr 2179858208 LMOFJFFWLCQQMY-KRWDZBQOSA-N 454.434 3.688 50 10 JHGE O=C(c1cc(I)ccc1F)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190669723 FNXWVXWPUTXQAX-JAAHAHCPSA-N 456.068 3.909 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](Cl)C(F)(F)F)cc1Br 2197809349 RHDZCKBLFHTCCY-SECBINFHSA-N 459.509 3.968 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)CC12CCCCC2 2241038305 AJKGUVKESYUVOZ-MRXNPFEDSA-N 453.004 3.655 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CCC(CBr)(C(F)F)CC1 2274204242 ZOVJUFZQPXAXRK-WKILWMFISA-N 452.361 3.806 50 10 JHGE CN(Cc1cccc(I)c1)S(=O)(=O)c1cc(CBr)co1 2280342959 JZSWGUAIAJXYFF-UHFFFAOYSA-N 470.126 3.600 50 10 JHGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@@H]2CCCO2)c1 2296543425 AKWXOTWKGBPKJQ-FQEVSTJZSA-N 458.518 3.614 50 10 JHGE COC(=O)[C@H](Br)COCc1ccc(I)c(Br)c1 2306304299 DCIXAESOBHVGKS-SECBINFHSA-N 477.918 3.507 50 10 JHGE CC[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325074933 SHZWBUHGBXVHEI-QVKFZJNVSA-N 493.692 3.725 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(C)(C)C)CN(CCOCCI)C1 2326655459 XSTBPPMUSXRONW-HOTGVXAUSA-N 468.420 3.947 50 10 JHGE N#CC(=Cc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2329672248 WMGMAPZKBOZZLN-UHFFFAOYSA-N 457.874 3.616 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355689761 JZJUSRLNAJMUTL-OASPWFOLSA-N 467.983 3.694 50 10 JHGE Cc1ccccc1-n1c(SCC(=O)NNC(=S)Nc2ccccc2)nc2ccccc2c1=O 1102087 GULCGQZRUNBLJP-UHFFFAOYSA-N 475.599 3.804 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(Cl)cc1 11035585 IEVSLFPHIZZBOI-UHFFFAOYSA-N 462.525 3.705 50 10 JHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14032425 NRMLQRNGEOWQRP-UHFFFAOYSA-N 470.595 3.799 50 10 JHGE CCNC(=S)NNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 25394748 UYEDDAYMPPWDDZ-JFIYKMOQSA-N 451.658 3.912 50 10 JHGE N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 35516826 QGINANPNCTYZMB-WYMLVPIESA-N 461.503 3.970 50 10 JHGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(F)c(F)c1 40795561 SNJKYYNCIXNDIO-UHFFFAOYSA-N 455.252 3.910 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H](CBr)O1 232350883 OOSOIOWKTLUMLE-PSASIEDQSA-N 458.521 3.569 50 10 JHGE Cc1ccc(SCc2c(C(=O)NN=Cc3c(C)cc(C)cc3C)nnn2-c2nonc2N)cc1 254311206 XGIQBJISYXOANM-UHFFFAOYSA-N 476.566 3.522 50 10 JHGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 254814785 NTABIURTINYKSM-UHFFFAOYSA-N 485.525 3.822 50 10 JHGE C=C(C)Cn1c(SCC(=O)NN=Cc2cc(OC)ccc2OC)nnc1-c1ccc([N+](=O)[O-])cc1 254837204 RMOOEXUZVXAOIQ-UHFFFAOYSA-N 496.549 3.689 50 10 JHGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1ccc(C)cc1 256028378 IIDLSCGDPJVRTF-UHFFFAOYSA-N 457.581 3.649 50 10 JHGE CC(C)(CNC(=O)c1ccc(I)c(Cl)c1)OCCBr 388405120 YWCWUOWAHUPSAH-UHFFFAOYSA-N 460.537 3.865 50 10 JHGE COC[C@](C)(CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 716859470 DGUVDERKCCPEKP-LBPRGKRZSA-N 494.043 3.598 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 849195941 OPDUJOBUOVNKAG-INIZCTEOSA-N 450.538 3.700 50 10 JHGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@@H](c2ccc(C(=O)O)cc2)NC(=S)N1 1084473513 GRBPMEMEZKEQPO-QGZVFWFLSA-N 463.346 3.635 50 10 JHGE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3cccc(Cl)c3)cc2)n1 1866129872 QHCNGEGMPQSXIP-LFIBNONCSA-N 453.911 3.785 50 10 JHGE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc(/C(C)=C/C#N)c1C 1873428453 PBWQINFHVLIBRH-GLNPCMGASA-N 453.520 3.770 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1ccc(Br)s1 2023039659 RHCGJQOZZNFXQJ-YUMQZZPRSA-N 452.177 3.639 50 10 JHGE O=C(NCc1nnc(CBr)s1)c1cc(Br)sc1Br 2072468512 FLQWHIAXUKPPRV-UHFFFAOYSA-N 476.013 3.950 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1cc(CBr)sc1Br 2076249375 BQNBZKSGQQWZBM-SVRRBLITSA-N 482.057 3.809 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@H]2[C@@H]1CBr 2078305446 SJLCOTIPJYVPPH-SBMIAAHKSA-N 484.957 3.909 50 10 JHGE Brc1cccc(CN2CCN3C[C@@H](Br)C[C@@H]3C2)c1Br 2092327603 CRZRBJXKXLUHGK-NWDGAFQWSA-N 453.016 3.865 50 10 JHGE O=C(N[C@H](CBr)CC(F)(F)F)c1cc(I)ccc1F 2113351561 QHUCKPLXHWYJHN-ZETCQYMHSA-N 453.999 3.876 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC(C)(C)[C@H]1CBr 2129315152 RDEHVIPETQEYHT-QGZVFWFLSA-N 485.444 3.524 50 10 JHGE O=S(=O)(NC[C@H](CBr)C(F)(F)F)c1ccc(Cl)c(Br)c1 2161576919 ZGWXYUYAOSMFNE-LURJTMIESA-N 459.509 3.954 50 10 JHGE O=C(N[C@@H](CCl)C[C@@H]1CCOC1)c1ccc(Br)cc1I 2207264223 CJSAUFDMTGLBSL-GXSJLCMTSA-N 472.548 3.818 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](Br)[C@H](Br)C1 2248236753 HWOUPGOPJORLBX-HTQZYQBOSA-N 493.364 3.927 50 10 JHGE CN1CCC[C@H]([C@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2268283294 CCLZILUDEZNQCF-VXGBXAGGSA-N 478.577 3.805 50 10 JHGE N#CC(=Cc1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 2296544495 OWYOCJMXHPEVHQ-UHFFFAOYSA-N 454.461 3.892 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCCN(Cc2ccccc2)C1 2321828732 PYLDPELJVCJAFG-HSZRJFAPSA-N 483.700 3.992 50 10 JHGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281279 DCGMDWMBDQEMGF-UHFFFAOYSA-N 477.414 3.715 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](OCCBr)C1 2340065009 ISKYQAOSCPMYLZ-JTQLQIEISA-N 458.521 3.571 50 10 JHGE CCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(OC)c(I)c1 14035766 SXEFARHHHDYEGX-UHFFFAOYSA-N 482.318 3.944 50 10 JHGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2OC)cc1OC 33959223 CPHLVTBJLFJKEK-JFLMPSFJSA-N 478.501 3.769 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38653771 FSISDTSPEQXYCV-DEOSSOPVSA-N 473.441 3.806 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38683733 QXAVTLWLZZGPRR-QFIPXVFZSA-N 471.425 3.819 50 10 JHGE O=C(NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40588833 YWPKPABWINJSJG-UHFFFAOYSA-N 463.332 3.812 50 10 JHGE CCOc1c(I)cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc1OC 58887404 PTATUBPBWFJHPE-NEIHUHTASA-N 482.318 3.662 50 10 JHGE CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 58988613 HMHUZUJZJHXWQJ-CVKSISIWSA-N 457.563 3.638 50 10 JHGE Cc1nc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)nn1-c1ccccc1Cl 109418294 UYTLOWHTNXZRLY-UHFFFAOYSA-N 461.909 3.736 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1cc(Br)c(Br)s1 122134432 KIEIEEXYKKLOQV-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)o1 252605106 GFMOOXKWORKVPD-HSZRJFAPSA-N 492.488 3.797 50 10 JHGE O=C(Cn1nc2ccccc2n1)NN=Cc1ccccc1OCc1cccc(Br)c1 252640959 YYKZBTUULHTOFS-UHFFFAOYSA-N 464.323 3.923 50 10 JHGE CCN(CCOCCBr)C(=O)c1cc(Cl)ccc1I 311680963 CJWNZRXLBZDPLZ-UHFFFAOYSA-N 460.537 3.818 50 10 JHGE COC[C@@](C)(CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 716858983 AZIMFSJKGITHOU-LLVKDONJSA-N 470.010 3.834 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc(CSC)cc2)cc1 727411548 HIMWCHOTOQWVBL-CPNJWEJPSA-N 475.574 3.843 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c(-c2ccccc2)n1 914503859 FGUNIJCZYTXHOC-OQKWZONESA-N 496.546 3.931 50 10 JHGE O=C(CSCC(=O)Nc1ccccc1)NN=Cc1ccc(OCc2nc3ccccc3[nH]2)cc1 1084394989 VMFVSFDBKDZPDL-UHFFFAOYSA-N 473.558 3.964 50 10 JHGE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)cc(C(=O)Nc3ccc(SC#N)cc3)[nH]c12 1866529492 GXUSVKHMEQOXBZ-UHFFFAOYSA-N 494.573 3.988 50 10 JHGE CCCC[C@@H](NC(=O)C1CCC(N2CCN(C)CC2)CC1)C(=O)Nc1ccc(SC#N)cc1 1867284857 QRTZKFUYVSSQLK-POOLCLQXSA-N 471.671 3.679 50 10 JHGE O=S(=O)(N[C@@H](CBr)C[C@H]1CCCO1)c1cc(Cl)c(Br)s1 1926748596 JWBSLZIIANAEIC-HTQZYQBOSA-N 467.632 3.775 50 10 JHGE CCCCCC[C@@H]1[C@H](CC[C@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080455661 LUABMRXJCSRHDW-NQFZRNAASA-N 460.567 3.722 50 10 JHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1c(Br)cccc1Br 2150490518 XDOXNEAAKSYVPB-SNVBAGLBSA-N 469.015 3.801 50 10 JHGE O=C(N[C@H](CCl)C[C@@H]1CCOC1)c1cc(I)ccc1Br 2195506511 SXOPBSGITCQKDC-ONGXEEELSA-N 472.548 3.818 50 10 JHGE CCN(CCBr)CCC[C@H](C)NS(=O)(=O)C1CC(OCc2ccccc2)C1 2204137221 IJSPLAXUOUUGPV-KKXNLOMOSA-N 461.466 3.539 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Cl)CC12CCCCC2 2241039016 HLEUFSHJWZNCMS-KRWDZBQOSA-N 453.004 3.799 50 10 JHGE Cc1ccc(I)c(C(=O)NC[C@@H]2CC[C@@H](CBr)CO2)c1 2279407159 IHZLHLGETYWXPQ-RYUDHWBXSA-N 452.130 3.520 50 10 JHGE C[C@@H](Cl)c1nc2cc(Br)cnc2n1-c1cnn(C)c1I 2280059428 ZQOPUBUTPCFFAD-ZCFIWIBFSA-N 466.508 3.821 50 10 JHGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1ccc(Cl)c(I)c1 2283665140 LJUDCSQOXBKZAC-KOLCDFICSA-N 472.548 3.865 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H]2OCC[C@@]2(CBr)C1 2296369457 LBXWZCPCPJHMQZ-BXUZGUMPSA-N 467.983 3.838 50 10 JHGE COc1ccc(CNC(=O)C(C#N)=C2N=C(NC(=O)c3ccc(F)cc3)c3ccccc32)cc1 2296532695 IXYUKMBZAWYSED-UHFFFAOYSA-N 454.461 3.576 50 10 JHGE COc1ccccc1C=CC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 2313630039 AHRQZGVDXDSEBT-UHFFFAOYSA-N 461.356 3.995 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 2313892291 PRQDAKOOXBGMQD-UHFFFAOYSA-N 455.580 3.859 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)CCC1(C)C 2338681715 LANYKIZANTZIQC-SSDOTTSWSA-N 457.992 3.723 50 10 JHGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1 12492074 JKINPBKSSFHLNT-UHFFFAOYSA-N 490.516 3.985 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Cl)cc1 14644257 JLLXNMMKFJKXOF-JTQLQIEISA-N 462.127 3.750 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 19639562 JCYGQLKQIFDLQX-JVWAILMASA-N 453.502 3.945 50 10 JHGE N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)cc(Cl)c1OC(=O)N1CCOCC1 20076899 AJOYAMRYGGVLLF-QGZVFWFLSA-N 464.305 3.639 50 10 JHGE CCOc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)nc(O)c2c1 34988604 CUNGOCSPSQRTQI-PTNGSMBKSA-N 462.487 3.706 50 10 JHGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c(Br)c1 40959318 WRERXNKNGWQYKI-CIAFOILYSA-N 450.289 3.935 50 10 JHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C(\C)CC 59914664 DVHHFPCMMOYRNH-FYJGNVAPSA-N 498.394 3.675 50 10 JHGE O=S(=O)(Nc1ccc(I)cc1)c1ccc(CBr)cc1 115107485 FGQMXIOMRPRLST-UHFFFAOYSA-N 452.111 3.987 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1cccc2ccccc12 725758768 HPSAIIIMJHZCHF-QJOMJCCJSA-N 476.602 3.696 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cn(C)c3ccccc23)nnn1-c1ccc(-c2ccccc2)cc1 731183612 MMFQOPYATLGOHF-UHFFFAOYSA-N 450.502 3.809 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 1084035659 MCRXPWNSBDBEBF-UHFFFAOYSA-N 486.937 3.902 50 10 JHGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)CN1CCCc2ccccc21 1476728560 FNXDPQMHSPTQRU-UHFFFAOYSA-N 459.344 3.619 50 10 JHGE CCOC(=O)c1c(CBr)cc(OC(F)(F)F)nc1I 1848387590 GKPHMTBRQZPPGM-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4cccc(C(F)(F)F)c4)c(=O)c23)C1 1860770890 BDRAYEYPLPPMNA-RYUDHWBXSA-N 478.496 3.624 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CCCl)COCc1ccccc1 1902959892 RELYHIZHSZUILT-HXUWFJFHSA-N 493.025 3.587 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@@]2(CC[C@@](C)(CI)O2)C1 1924233016 ARHXQGLWJYXOHV-BZSNNMDCSA-N 451.345 3.919 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1cc(Br)c(Br)s1 2036678607 HPNOSQWHFAGIFP-NKWVEPMBSA-N 462.001 3.945 50 10 JHGE O=C(c1ccccc1I)N1CCC(OCCCBr)CC1 2207534185 WPIVQHFNIVLIKE-UHFFFAOYSA-N 452.130 3.697 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[C@@H]1Br 2221677941 OTIAKLPXEFFCHM-QEJZJMRPSA-N 476.209 3.785 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)[C@@H](C(=O)OC)CC3)cc1OC 2297307655 NPACDYJVJINSSN-HNNXBMFYSA-N 484.530 3.690 50 10 JHGE C[C@H](CC1CCN(CCOCCI)CC1)N(C)C(=O)OC(C)(C)C 2306802024 LLNXKPJBDGJTLG-OAHLLOKOSA-N 454.393 3.796 50 10 JHGE COc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] 2313565322 PRHVFIQETPRWDR-UHFFFAOYSA-N 471.311 3.622 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2C(C)(C)C)c(OC)c1 2314737560 WWNAOPKHZFMYSM-UHFFFAOYSA-N 466.534 3.647 50 10 JHGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC 2331279470 CVCHLGAHMXNDRG-UHFFFAOYSA-N 496.501 3.967 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H]1CCCBr 2338849155 DOZZJBGYJYKVNU-QGZVFWFLSA-N 485.444 3.812 50 10 JHGE ClCCCN1CCCN(c2ncc(I)cc2Br)CC1 2340922123 WDXKLVMQSMTOSS-UHFFFAOYSA-N 458.569 3.590 50 10 JHGE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2369475010 AKLUVDBOJFEDEC-AWEZNQCLSA-N 477.764 3.897 50 10 JHGE O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 880911 PZKXTUDHWSMWPP-BRJLIKDPSA-N 452.850 3.817 50 10 JHGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1C 10154172 XWIFROLVUIBPJP-GOSISDBHSA-N 457.596 3.831 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1Br 14770392 NDRAKJYBBJCKTF-UHFFFAOYSA-N 486.160 3.759 50 10 JHGE CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C\c1ccccc1OCc1ccccc1C#N 35304453 PNNOQIVQGOEHKZ-OJESGLHMSA-N 498.539 3.771 50 10 JHGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 73167247 RLTLSEHWKLGBLX-PGGKNCGUSA-N 467.894 3.837 50 10 JHGE O=C(c1ccc(F)cc1I)N(CCBr)CC(F)(F)F 236162902 NZJILOUTNNMJTA-UHFFFAOYSA-N 453.999 3.830 50 10 JHGE CCN(CCO)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256020060 UWBVKPGEQKYTTM-BIGNPOOSSA-N 476.047 3.513 50 10 JHGE O=C(Cl)c1nc(I)cc(I)c1OC(F)(F)F 396176959 DBURQEWOHPVICN-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE Nc1ccc([N+](=O)[O-])cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 725379678 XIVUPEMMZNOLTG-WMLDXEAASA-N 481.290 3.964 50 10 JHGE Cc1cc(C=NNC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1cccc(Cl)c1Cl 725416113 ZDHHMCNUWVBHKM-UHFFFAOYSA-N 458.349 3.953 50 10 JHGE CCOC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1 728502937 UJGJKPJVXLSBBV-UHFFFAOYSA-N 483.384 3.547 50 10 JHGE COc1ccc(Br)c(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 728525741 IQGTUWIVVXQGTO-UHFFFAOYSA-N 489.395 3.745 50 10 JHGE COC(=O)c1ccc(CN(C)C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 914608947 GNHGOOPCJDGOFG-JCMHNJIXSA-N 453.502 3.816 50 10 JHGE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)c1ccc(Br)cc1 1115959387 CJUILJCCVVVWIQ-GOSISDBHSA-N 474.355 3.572 50 10 JHGE O=C(NNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccc(Br)cc1 1338494062 LFSKUGXMHCOSNO-UHFFFAOYSA-N 470.245 3.670 50 10 JHGE O=C(NNc1ccc(OCCOc2cccc(Cl)c2)cc1)[C@@H]1CCCN1C(=O)C(F)(F)F 1858080443 DCQGFRHXWZCIPN-SFHVURJKSA-N 471.863 3.794 50 10 JHGE CN(Cc1c(Br)nnn1C)c1cc(Br)ccc1CBr 2100247126 JJXWRCAUKGKIMM-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185327390 WGXHHXKBABKLDO-JFUSQASVSA-N 467.983 3.979 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@H](CCCBr)C1 2225817136 OBEXENPQOUCYDC-KRWDZBQOSA-N 485.444 3.670 50 10 JHGE CCN(C[C@](C)(CI)OC[C@]1(C)CCN(C)C1)C(=O)OC(C)(C)C 2253331004 JSHDASUDFREVTP-MSOLQXFVSA-N 454.393 3.796 50 10 JHGE COc1cc(F)c(CBr)c(-n2ccnc2CCN2C(=O)c3ccccc3C2=O)c1 2268172409 KVCVRYNOQVUMHU-UHFFFAOYSA-N 458.287 3.754 50 10 JHGE Cc1ccc(NC(=O)COc2ccc(C=C(C#N)C(=O)NC[C@@H]3CCCO3)cc2Cl)cc1 2294146965 MENOIJZPAGLJCP-FQEVSTJZSA-N 453.926 3.868 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1Br 2313864483 PWMINNQVPUYMQO-UHFFFAOYSA-N 452.761 3.760 50 10 JHGE COc1cccc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1OC 2325904142 JDBDBWRUHUZMPX-UHFFFAOYSA-N 462.531 3.601 50 10 JHGE C[C@@H](CBr)N1CCN(Cc2ccc(Cl)c(I)c2)CC1 2337229755 LNAMUZYOCLWZEO-NSHDSACASA-N 457.581 3.846 50 10 JHGE Clc1ccc(I)cc1CN1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2352413178 DOZXYTOXIJYXRA-OSMZGAPFSA-N 456.549 3.786 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccccc1I)c1ccc(Cl)cc1Cl 12501545 CYUIJZBOWIZALI-UHFFFAOYSA-N 494.141 3.547 50 10 JHGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040783 LDCNEFZNCAXSBT-UHFFFAOYSA-N 491.569 3.659 50 10 JHGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCN(C)CC5)c(C)c43)coc2c1 40826934 AVSHDFWWNWJRJB-VFCFBJKWSA-N 476.577 3.738 50 10 JHGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 101332473 JXKYVDKHVZBGHV-FYJGNVAPSA-N 466.497 3.923 50 10 JHGE Cc1ccc(COc2ccc(C=NNC(=O)c3nnn(-c4nonc4N)c3-c3ccccc3)cc2)cc1 254556562 UEVQPNWZMVXSBM-UHFFFAOYSA-N 494.515 3.551 50 10 JHGE C[C@@H]1C[C@@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 384947853 AMFBEBKFFYMPFA-VXNVDRBHSA-N 462.001 3.758 50 10 JHGE CC1(C)O[C@H]2[C@H](O1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2n1ccc2c(Cl)nc(N)nc21 575627500 WXKYMEIKPSQDLH-VWPFQQQWSA-N 455.031 4.106 50 10 JHGE in-vitro C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1Br 721580771 VMFVNXQUSHMHPT-GMSGAONNSA-N 472.946 3.909 50 10 JHGE COc1ccc(CCNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1F 728398346 CINNSHFBSQHIGD-UHFFFAOYSA-N 455.461 3.739 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)CSc3nc4ccccc4[nH]3)cc2)cc1 1083944506 ZDMBMCVNIJPFTI-UHFFFAOYSA-N 480.571 3.881 50 10 JHGE CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNc1ccc(Br)cc1C(F)(F)F 1615038166 DISTZJFOZMNXPT-KRWDZBQOSA-N 456.262 3.884 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772747891 GPYDSOZFKFDCPX-UHFFFAOYSA-N 478.936 3.716 50 10 JHGE CN(Cc1ccccc1)C(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858688312 NVQMGQFSHUFSJJ-UHFFFAOYSA-N 454.414 3.777 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(F)c(CBr)c1 1924916358 WKRIGKKHNQADHN-UHFFFAOYSA-N 469.332 3.539 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@@]23CCOC3)C1 2021276190 HZYONKUXZUSIRK-BMGDILEWSA-N 451.345 3.634 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCBr)Cc1cccs1 2114666688 YXXXCLSWQPINGH-UHFFFAOYSA-N 499.452 3.741 50 10 JHGE O=C(NC1(CCl)CCOCC1)c1ccc(Br)cc1I 2142285353 OKWKYLQJOPJHKV-UHFFFAOYSA-N 458.521 3.572 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2204090703 SZTHMVRDMXJEKZ-GVDBMIGSSA-N 497.455 3.524 50 10 JHGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccccc1Br 2314737579 YXVRENNDQHRRQG-UHFFFAOYSA-N 473.323 3.874 50 10 JHGE CCC(CC)[C@@H](Br)CNC(=O)c1c(Br)c(Br)nn1C 2338858996 AOHXVFBKEBHBQP-QMMMGPOBSA-N 460.008 3.875 50 10 JHGE Cc1ccc2c(c1Br)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N2 12571751 GCZUMIQXTMJTKN-UHFFFAOYSA-N 457.111 3.916 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 13621186 PRQDAKOOXBGMQD-VGOFMYFVSA-N 455.580 3.859 50 10 JHGE O=C(COc1ccc(Br)cc1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 40846271 LBGLVNSANZXWSC-ROMGYVFFSA-N 464.319 3.895 50 10 JHGE COc1ccc(C(=O)NC2=N/C(=C(\C#N)C(=O)NCc3ccc(C)cc3)c3ccccc32)cc1 102673762 JEHZMUJHQVPELE-WCWDXBQESA-N 450.498 3.745 50 10 JHGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(Cl)cc1Cl 217178078 LLDFGMPUCGSJFY-SSZFMOIBSA-N 459.333 3.886 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H](CBr)O1 235352011 SAQYUJXKNCMRBY-PELKAZGASA-N 455.972 3.836 50 10 JHGE CCCOc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 252605170 GGYCKDQFMCHVPO-UHFFFAOYSA-N 451.548 3.821 50 10 JHGE O=C(CBr)c1c(I)cc([N+](=O)[O-])cc1OC(F)(F)F 575711900 ZFXJMLLHILEHRW-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c(-c2ccccc2)n1 808433273 GCYPAEMXMHSCPQ-WQRHYEAKSA-N 484.903 3.775 50 10 JHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=CC(C)C 1084229064 PSRHCNQRSUZZJA-UHFFFAOYSA-N 498.394 3.531 50 10 JHGE Cc1ccc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(C)cc3C)cc2)c(C)c1 1084301716 GJMDCJWNWHUUQD-UHFFFAOYSA-N 486.572 3.978 50 10 JHGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1 1084650567 JLISTGZBCCJGPY-UHFFFAOYSA-N 458.971 3.664 50 10 JHGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N/N=C3/C[C@H]4CC[C@@]3(C)C4(C)C)nnc12 1087345677 GCDLMRMPIKNJPC-SAEVYUAUSA-N 464.595 3.641 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccccc3F)nc2)cc1 1677097231 FKNCCAZSKHVKKH-HNNXBMFYSA-N 452.442 3.836 50 10 JHGE CN(C)[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866706123 YCVWPRGHQXNWPP-BJKOFHAPSA-N 474.586 3.934 50 10 JHGE CC1(CBr)CN(C(=O)c2cc(Br)ccc2I)C1 1951091325 BIOKLMWVLOPNEX-UHFFFAOYSA-N 472.946 3.911 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2C[C@]23CCOC3)C1 2021276191 HZYONKUXZUSIRK-FHLIZLRMSA-N 451.345 3.634 50 10 JHGE Cc1c(I)cc(I)cc1C(=O)CBr 2060159182 JISUFXFOWSFCSN-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE C[C@H](Br)C[C@@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089708293 XWEMYCHEJFUVLM-IRXDYDNUSA-N 485.444 3.811 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CCC2)[C@@H](CBr)C1 2151658317 ABGKXNXDKKDDGY-INIZCTEOSA-N 497.455 3.526 50 10 JHGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccn([C@H]2CCCCO2)n1 2174001636 KJJFVLPDTZTTGL-PKOBYXMFSA-N 456.406 3.947 50 10 JHGE Cc1cc(C(=O)NC[C@@]2(CBr)CCCOC2)ccc1I 2207106385 XQQJZUXLOGJOQL-HNNXBMFYSA-N 452.130 3.521 50 10 JHGE C[C@]1(CBr)C=CCN1c1ncc(I)cc1Br 2211789062 YJSQWYKHHBJSTH-LLVKDONJSA-N 457.935 3.979 50 10 JHGE Cc1ccc(I)c(C(=O)N(CCOCCBr)C(C)C)c1 2240925096 WRGTUFPHZSCNPZ-UHFFFAOYSA-N 454.146 3.862 50 10 JHGE CC(C)(C)OC(=O)NC1C[C@@H]2COC[C@H](C1)C2[C@@H](CBr)NC(=O)OC(C)(C)C 2241740095 WILUIWXMMSWZPE-WJTFHPDPSA-N 463.413 3.841 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(C)c1 2268649882 GIDMPAKLMIYICJ-QLXKLKPCSA-N 486.377 3.567 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@@H](Br)[C@H]2COC[C@H]21 2308660243 BGHMPSAJKPGNTK-ATRFCDNQSA-N 459.985 3.507 50 10 JHGE COc1ccc2[nH]cc(C=NNC(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)c2c1 2318792708 OTSXENIIEKTYBM-UHFFFAOYSA-N 457.515 3.765 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2344139497 IIDWRBKOCYCBDH-KLHDSHLOSA-N 456.324 3.854 50 10 JHGE CN([C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1c[nH]c(CBr)c1 2357091141 HMNLMAYYHFWBAN-RKOGWWSCSA-N 453.402 3.914 50 10 JHGE CCc1cccc2c1NC(=O)/C2=N/NC(=O)/C(=C\c1cc(OC)ccc1OC)NC(=O)c1ccccc1 3969182 SPFAZLSWOOMPPG-CJLVFECKSA-N 498.539 3.510 50 10 JHGE Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14639402 YYMBOOISCBSSEW-ZDUSSCGKSA-N 455.736 3.713 50 10 JHGE Cc1cc(C(=O)NNC(=O)[C@@H](C)n2c(S)nnc2-c2cccs2)c(C)n1-c1ccccc1 110165577 DFHGDIUQGJWTGT-OAHLLOKOSA-N 466.592 3.725 50 10 JHGE CC(CBr)(CBr)NS(=O)(=O)c1ccc(Br)cc1Cl 126509674 RAOZJCBWYYSKEZ-UHFFFAOYSA-N 484.435 3.929 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1 252616839 KGOUZIJDMOADIE-UHFFFAOYSA-N 493.585 3.996 50 10 JHGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 310680719 KUPKNBIRWGUALR-KGLIPLIRSA-N 461.834 3.897 50 10 JHGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 1084096016 HRFWZAYZKROTRA-UHFFFAOYSA-N 490.354 3.934 50 10 JHGE O=C(NN=Cc1c(O)ccc2ccccc12)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1084265641 VQEQAGMXCSIYJA-UHFFFAOYSA-N 471.966 3.750 50 10 JHGE Cn1c(=O)n(C)c2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(C(=O)O)c3)c(Br)cc21 1084266724 KRDNTQPHQKDCLJ-WZUFQYTHSA-N 489.713 3.537 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(Br)nn2-c2ccc(C)cc2)c1 1644011948 SMARSKHZGDEVJK-UHFFFAOYSA-N 454.353 3.556 50 10 JHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743488 AEIBUYBWQZONFW-UHFFFAOYSA-N 494.935 3.552 50 10 JHGE COc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c(OC)c1 1858680549 AKSOMGOZLSXNME-UHFFFAOYSA-N 486.412 3.775 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4cc(Cl)cc(Cl)c4)c(=O)c23)C1 1860771019 GMNSKDDBSFRVMU-WDEREUQCSA-N 479.389 3.912 50 10 JHGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(O)c(OC)c1 1865688842 CHTPIGFGQDAXOG-LLVKDONJSA-N 459.222 3.617 50 10 JHGE COc1cc(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1O 1873795110 RVIVOTGOABUOMA-MNUWJXFPSA-N 458.353 3.553 50 10 JHGE O=C(N[C@@H](C[S@@](=O)CC1CC(Cl)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893513521 KSFFZDAQQGQGSU-LIRKENMLSA-N 461.967 3.744 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNCc1occc1B1OC(C)(C)C(C)(C)O1 2010825392 KGBPTMMTAGFFMW-UHFFFAOYSA-N 458.455 3.575 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H]1[C@@H]2CBr 2082885504 YLZKRGDWTQLTNR-XXFPWJFMSA-N 484.957 3.909 50 10 JHGE O=S1(=O)C[C@H]2C([C@H](Br)c3ccc(Br)cc3Br)[C@@H]2C1 2083334007 QESBDPQNYDERTA-KBVBSXBZSA-N 458.997 3.938 50 10 JHGE C[C@@H](Br)C12CCC(CC1)N2S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2097067032 IKKXHCUBSHTIFW-IZINQKCZSA-N 483.428 3.563 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)c1ccc(I)c(Cl)c1 2112712201 BECAFZRSUFYWAV-ZDUSSCGKSA-N 458.521 3.571 50 10 JHGE CN(Cc1ccccc1NS(=O)(=O)N1CCC(Br)CC1)C(=O)OC(C)(C)C 2162588908 LAPSAFSGUQCQLS-UHFFFAOYSA-N 462.410 3.570 50 10 JHGE C[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 2163054452 XIIVCXVCFXLKRF-GOEBONIOSA-N 461.422 3.895 50 10 JHGE CC[C@@](C)(CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1ncc(Br)cc1B(O)O 2217180743 KMSKAXPPQYBCSF-QFIPXVFZSA-N 493.207 3.509 50 10 JHGE CC(C)(C)OC(=O)N(CCC(C)(C)Oc1ncc(Br)cc1B(O)O)Cc1ccccc1 2217181481 QJPSXENFHGFXGE-UHFFFAOYSA-N 493.207 3.509 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2CCO[C@@]2(CBr)C1 2239902835 JAVBRKZXMMWKLQ-OTYXRUKQSA-N 470.532 3.571 50 10 JHGE COc1ccc([C@@H](Br)c2cnn(C)c2I)c(OC)c1C 2295418166 COJMKIYBSZPHQW-GFCCVEGCSA-N 451.102 3.835 50 10 JHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3n2C)cc([N+](=O)[O-])c1OC(C)C 2322910826 OHKALDIJJWBSTA-UHFFFAOYSA-N 457.512 3.520 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@H]1CCCN1C(=O)OC(C)(C)C 2325065535 SIHHFRJJGWUBCC-QVKFZJNVSA-N 493.692 3.725 50 10 JHGE C/C(=N/NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 13108066 USGNESPHTIOJSF-BRPDVVIDSA-N 456.546 3.925 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc(C)c1Cl 13979781 GUQMRQVOEWPNJG-UHFFFAOYSA-N 476.154 3.978 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)ccc1Br 14016890 FUQIHOWPYCOUDK-UHFFFAOYSA-N 491.382 3.630 50 10 JHGE CCOc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14019889 IZNUMGOKAIICSD-UHFFFAOYSA-N 486.160 3.759 50 10 JHGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2I)cc1 14040185 BDZPDXWPFKTRDR-ZDUSSCGKSA-N 452.292 3.643 50 10 JHGE COCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14659230 NOQJBOMTMISSPS-UHFFFAOYSA-N 479.371 3.612 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)c1nc2ccccc2s1 59152705 DJFISKMXBXJDNV-UFFVCSGVSA-N 465.451 3.679 50 10 JHGE COc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 101149386 KCWHYTHHFXERNI-XDHOZWIPSA-N 462.502 3.556 50 10 JHGE Cc1cccc(-c2ccc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)c(=O)[nH]2)c1 107769485 QDBLMSIPYVGDCR-UHFFFAOYSA-N 453.498 3.857 50 10 JHGE Cn1ncnc1CC(CBr)(CBr)c1ccccc1Br 118672031 ZAOUAJOOHJHDQK-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE COc1ccccc1NC(=O)C(=O)NN=C(C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 254816122 LVDHDRPSCLIFHH-UHFFFAOYSA-N 474.517 3.734 50 10 JHGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)OC 1084289361 QVJXYBHFTKRXLG-UHFFFAOYSA-N 475.295 3.910 50 10 JHGE C[C@@H]1CCC(C(=O)Nc2cccc(Cl)c2)=C2NC=C(C(=O)NN=Cc3ccc(Cl)cc3)C(=O)N21 1088659693 KTOCNHOWXACETQ-CQSZACIVSA-N 498.370 3.792 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)OCCn2c(=O)oc3ccccc32)c(-c2ccccc2)n1 1122624276 DIKAEAIKCRQEFQ-CYVLTUHYSA-N 453.458 3.522 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)Cc2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)c1 1558199741 NECYINDCGFCDBE-UHFFFAOYSA-N 450.564 3.526 50 10 JHGE C=CC[C@@]1(C(=O)NNC(=O)c2ccccc2Br)CCCN1C(=O)OC(C)(C)C 1624209214 CQQVNNMTZOETHD-FQEVSTJZSA-N 452.349 3.556 50 10 JHGE C#Cc1ccc(NC(=O)NNC(=O)c2nn(CCC(C)C)c(=O)c3ccccc23)c(Cl)c1 1664985880 RTLDDFNLRBCMHC-UHFFFAOYSA-N 451.914 3.544 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743768 IEODTSJHKXPGER-UHFFFAOYSA-N 453.930 3.728 50 10 JHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743817 JGTBAQHAUBSCIK-UHFFFAOYSA-N 478.936 3.716 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)O)cc2)cc1 1865708900 ISNANNRQFMXFSQ-INIZCTEOSA-N 456.380 3.816 50 10 JHGE COc1cccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)c(C)n2)c1 1865758868 WEGRGKLGZVDERS-UHFFFAOYSA-N 486.528 3.535 50 10 JHGE O=S(=O)(N1CC(OCc2ccccc2)C1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1959172476 CGYRRTQKTWFJMZ-JOCHJYFZSA-N 479.440 3.808 50 10 JHGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H](Br)C2CCCC2)C1 1979584336 GFPXRXLOQZAYGW-IBGZPJMESA-N 481.431 3.951 50 10 JHGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cnn(CCBr)c1)Cc1ccccc1 1984645780 OHBOBZHNKGYKKO-UHFFFAOYSA-N 491.455 3.601 50 10 JHGE O=C(c1sccc1I)N1CC[C@H](Br)C(F)(F)CC1 2032654726 UAYULNGVZBARTL-QMMMGPOBSA-N 450.086 3.988 50 10 JHGE COC(=O)Cc1ccc(I)c(CBr)c1I 2055323226 NIKQDNZAABIJCK-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Br)c(Br)s2)C[C@@H]1Br 2067182136 HPTYHCZDLCWDOQ-GKROBHDKSA-N 462.001 3.944 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](OCCCl)C1 2109126023 PDOGKBHYUURIDP-JTQLQIEISA-N 458.521 3.524 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H](CCl)O1 2142285699 SVXDLONIBMGRQW-WCBMZHEXSA-N 458.521 3.522 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)N2CCC(Br)CC2)CC[C@@H]1C(F)(F)F 2163051241 RBWYRYFWUGSAHT-STQMWFEESA-N 458.319 3.743 50 10 JHGE CN([C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1c[nH]c(CBr)c1 2179866499 IXNKYFWRVZSGGQ-REPLKXPHSA-N 452.418 3.726 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNc1cnn(CC2CC2)c(=O)c1Br 2181743335 NPMUOCNBIYXZGK-UHFFFAOYSA-N 479.466 3.734 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC2(C3CCCCC3)COC2)C1 2250827652 DSFDKUPAIKUTRT-LSDHHAIUSA-N 451.345 3.775 50 10 JHGE CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)CCN3CCCCl)C1=O 2296926535 RVOVCZWZOMNMNB-UHFFFAOYSA-N 453.926 3.743 50 10 JHGE CC(C)Oc1c(Br)cc(Br)cc1C=C(C#N)c1nn(CCO)c(N)c1C#N 2297532843 KRHXVAUNSXGCEQ-UHFFFAOYSA-N 495.175 3.706 50 10 JHGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1 2314751106 QFNVUZGNCWHLCW-UHFFFAOYSA-N 490.512 3.861 50 10 JHGE CCCOc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325886495 KFKAINTYJKCHCU-IAGOWNOFSA-N 494.617 3.793 50 10 JHGE COCCn1c(CBr)nnc1-c1ccc(Cl)cc1I 2340057762 KRPUYCYKPQEBRM-UHFFFAOYSA-N 456.509 3.744 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CBr)c1ccc(F)cc1I 2361681848 MUZNROUDEDDZGX-UHFFFAOYSA-N 471.989 3.826 50 10 JHGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)c(Br)c2)cc1C 10153542 OBFUPCIXKOKAHZ-VQIMIIECSA-N 491.382 3.852 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 13979087 AULAVIOGFQOGKC-UHFFFAOYSA-N 484.622 3.683 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 14661548 FMCWOYCENQRGEW-UHFFFAOYSA-N 492.370 3.534 50 10 JHGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 33566543 CTERQTGJIWXBGE-SXGWCWSVSA-N 461.543 3.623 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)cc1 35301100 CGCKINSGRBPMNP-KURKYZTESA-N 459.449 3.796 50 10 JHGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc([N+](=O)[O-])ccc1O 1084467360 IITUVRSWWDBCHG-UHFFFAOYSA-N 475.211 3.995 50 10 JHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccn1)CCC2 1772748146 YXUHYTHKIYYFOA-UHFFFAOYSA-N 460.490 3.517 50 10 JHGE O=C(CCCSc1ccccc1)NNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 1865757426 CGLLUSSCOOAZTB-UHFFFAOYSA-N 477.517 3.960 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCCOCCOCc1ccccc1 1881765608 WNPVXDXIWRVSCS-FQEVSTJZSA-N 493.382 3.955 50 10 JHGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1C(=O)Nc2c(Br)cc(F)cc21 1984041369 XNPWTVNHANVKQD-MNOVXSKESA-N 452.118 3.912 50 10 JHGE C[C@@H](CCCCCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2054171562 UEOCDLYUXPZYAB-INIZCTEOSA-N 473.433 3.716 50 10 JHGE O=S(=O)(NC[C@H]1C[C@H](Br)C1)c1ccc(Br)cc1Br 2076162459 HGSCNYYBLSOLBK-XWEPSHTISA-N 462.001 3.663 50 10 JHGE C[C@@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@H](CBr)O1 2092339363 CYYWOEMZGVKLPG-BDAKNGLRSA-N 455.972 3.836 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(CC2(CBr)CCOCC2)C[C@@H]1C(F)(F)F 2163058330 JSQDMIOPNFJFKF-KBPBESRZSA-N 459.347 3.813 50 10 JHGE CC(C)(C)[C@@H]1C[C@H](CCl)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2165001350 YLRHMLGWOQMCRD-IAGOWNOFSA-N 455.020 3.616 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178080970 BAUNPSTUCPDPPG-DYLAAIIWSA-N 467.983 3.694 50 10 JHGE Cc1ncc(CN(C)S(=O)(=O)c2cc(CBr)sc2Br)s1 2179785548 OCSMNNGXUNERSA-UHFFFAOYSA-N 460.238 3.991 50 10 JHGE O=S(=O)(c1ccc(F)c(CBr)c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188885019 LXDRTBBOAFDHIZ-UZLBHIALSA-N 453.377 3.616 50 10 JHGE O=C(N[C@H]1C[C@H](Br)C1)c1ccc(I)c(Br)c1 2245920340 WMJHYPTXFDDALW-ZKCHVHJHSA-N 458.919 3.709 50 10 JHGE BrCCCN1CCCN(c2ncc(Br)cc2Br)CC1 2340909634 ZEZWOUCSMPFWKV-UHFFFAOYSA-N 456.020 3.904 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361462295 HYEJMRZXFNPZES-BQBZGAKWSA-N 457.131 3.990 50 10 JHGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(OCC)c1 1284653 NBIXXBMKDUKYMM-GZTJUZNOSA-N 454.435 3.756 50 10 JHGE COc1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14006754 XCJFUICEQGIBAK-CQSZACIVSA-N 465.344 3.575 50 10 JHGE COc1ccc(Oc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40658700 KWMOXKZKSDDVDC-UHFFFAOYSA-N 460.790 3.504 50 10 JHGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)CC1 40813578 IZBLHPYIGBYKDS-XAYXJRQQSA-N 458.562 3.989 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(OC)cc1 206731050 XMRWSMBADGFVQT-UYRXBGFRSA-N 476.485 3.895 50 10 JHGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cccn3C)nnc2-c2ccccc2)cc1 254385897 DWAZCPATNRNFME-UHFFFAOYSA-N 460.563 3.914 50 10 JHGE CCOC[C@@H](Br)CNC(=O)c1cc(Br)ccc1I 381316915 FEAVYLBHUSZNTA-VIFPVBQESA-N 490.961 3.584 50 10 JHGE CN(C)S(=O)(=O)CCCOc1c(Br)cc(CBr)cc1Br 699178222 FJDINMXRAWFEHJ-UHFFFAOYSA-N 494.043 3.767 50 10 JHGE CN(CCOCCBr)C(=O)c1ccc(I)c(Br)c1 721615861 DYRGRNMNSZXBQZ-UHFFFAOYSA-N 490.961 3.537 50 10 JHGE COc1cc(OC)c(C=NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1Br 1084186203 ADPPQRWFQSLCHO-UHFFFAOYSA-N 462.344 3.952 50 10 JHGE O=C(Cn1ncc(=O)c2ccccc21)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1087850342 VPYZPFFXCPYZIH-UHFFFAOYSA-N 483.915 3.726 50 10 JHGE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 1260507855 COZVOGMCVVJRPA-HOTGVXAUSA-N 459.406 3.744 50 10 JHGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=O)c2ccc(OCC)c(OC)c2)s1 1540423613 MZHZRUMVYCVYPH-UHFFFAOYSA-N 455.989 3.707 50 10 JHGE Cc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1C 1865756161 JLBDDRCQOXACBN-DEOSSOPVSA-N 484.556 3.756 50 10 JHGE Cn1cc(I)c(CC(CBr)(CBr)C2CC2)n1 1902319984 AQRQPGBNFZMHRQ-UHFFFAOYSA-N 461.967 3.753 50 10 JHGE C[C@@H](Br)C1(NS(=O)(=O)c2cc(Br)ccc2Br)CC1 1913497895 OLALMHSRWKSHQC-SSDOTTSWSA-N 462.001 3.806 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)c1cscc1Br 1940499305 DQGBTDYONACLGF-UHFFFAOYSA-N 470.046 3.728 50 10 JHGE C#CCN(CCBr)C(=O)c1ccc(I)c(Br)c1 1948655845 MFQTYKHCJJXOKT-UHFFFAOYSA-N 470.930 3.524 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1csc(Br)c1Br 2036684694 ZDZXNOKPZSGJTE-BQBZGAKWSA-N 462.001 3.945 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2104388693 SZHBXUILXCVMPZ-GJZGRUSLSA-N 459.793 3.676 50 10 JHGE O=C(NCC[C@@H]1COC[C@H]1Br)c1ccc(Br)cc1Br 2111279146 GJWHLKAOJDHYFP-PRHODGIISA-N 455.972 3.741 50 10 JHGE CCN1CCC[C@@H]([C@@H](Br)c2cccc(F)c2I)S1(=O)=O 2145777337 YUCLJVSTOMSMET-RYUDHWBXSA-N 476.149 3.680 50 10 JHGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NCC1(CBr)CCOCC1)CC2 2163057510 BYSRSOLURLJOLN-UHFFFAOYSA-N 465.454 3.820 50 10 JHGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H](CCCl)O1 2179373930 IOFUBTFSJJLCAO-ONGXEEELSA-N 472.548 3.912 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@@H](CBr)C12CCC2 2190362543 GBDPRRREUVWGJX-NSHDSACASA-N 450.114 3.777 50 10 JHGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296728674 BEOSDPJWSGAXSD-JOCHJYFZSA-N 490.585 3.538 50 10 JHGE Cc1nn(C)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1Br 2303548442 DBBBXOUZWFUWAL-AWEZNQCLSA-N 459.182 3.591 50 10 JHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)C=Cc4ccc(Cl)cc4Cl)c(=O)c23)C1 2325893173 CXBQFRXIWSSKEA-GFCCVEGCSA-N 491.400 3.750 50 10 JHGE CCC[C@H](CCBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338834965 COFBDMYFDDPMNP-QGZVFWFLSA-N 487.460 3.964 50 10 JHGE C=CC[C@H](Br)[C@@H]1CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338845974 VWMPPQKZZJSJOR-OALUTQOASA-N 483.428 3.587 50 10 JHGE CC(C)C[C@H](CBr)CNC(=O)c1c(Br)c(Br)nn1C 2338863950 QKZPEXSGKJLINS-MRVPVSSYSA-N 460.008 3.732 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)c1cccc(CBr)n1 2338946825 HUTOAASPZPCKJQ-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE CC1(C)C[C@@](C)(CCl)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364191864 XUEJERNRUSMMBE-QFIPXVFZSA-N 455.020 3.902 50 10 JHGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1ccc(Cl)cc1I 2365587488 XZXHGBHSNSUXRE-ONGXEEELSA-N 472.548 3.865 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)C)cc2)c(Br)c1 10453135 HTQQNBWFGQWZHE-UHFFFAOYSA-N 464.385 3.595 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 12579313 UYOCKRDMGQWMLW-CYBMUJFWSA-N 468.337 3.726 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14007481 JWJJJICLAGRXTJ-JTQLQIEISA-N 462.127 3.750 50 10 JHGE COc1ccc(/C=C\C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1OC 33887519 GWHBIFKUEDFHFK-YWEYNIOJSA-N 466.321 3.590 50 10 JHGE N#C/C(C(=O)N1CCCCC1)=C1\N=C(NC(=O)c2cccc(Br)c2)c2ccccc21 102985033 LZFORCKFPBHGBO-FMQUCBEESA-N 463.335 3.886 50 10 JHGE COc1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1OS(=O)(=O)c1ccccc1 252627747 SATMNWIRNWDTCS-UHFFFAOYSA-N 474.922 3.645 50 10 JHGE Cn1cc(C=NNC(=O)c2cc3n(n2)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c2ccc(F)cc2)N3)cn1 254507087 XAFFDTKFPBFLRM-HOCLYGCPSA-N 485.392 3.815 50 10 JHGE Cc1ccc(C(=O)N[C@H](CC(=O)NNC(=O)c2cccc3cccnc23)c2ccccc2)cc1 729843044 WBGYIBKTKXHJKB-HSZRJFAPSA-N 452.514 3.866 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)[C@@H](C)Sc2ccccn2)cc1 1084299028 RZZYZWUPGZPVTK-QGZVFWFLSA-N 455.561 3.789 50 10 JHGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1ccc(F)c(F)c1 1084462089 QXWVSROABGMQJD-UHFFFAOYSA-N 450.474 3.850 50 10 JHGE C[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866625434 XHWOMKLBWUERQC-AWEZNQCLSA-N 493.010 3.600 50 10 JHGE C[C@H](CCl)CS(=O)(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1955856315 FJSXBJFFURPVBG-MRXNPFEDSA-N 466.987 3.641 50 10 JHGE CN([C@@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 2044694780 YBMDXOOXVBYBOQ-RTBURBONSA-N 467.385 3.659 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2cc(Br)c(Br)s2)C1 2046666471 AKRHBLUBXBPTCJ-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC=C[C@@H]2CBr)cc1Br 2119850074 WIYCXAJBWLQPJA-SECBINFHSA-N 474.012 3.844 50 10 JHGE O=S(=O)(c1ccsc1CBr)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123284764 SCWOBAAHKWPYOF-IAGOWNOFSA-N 455.443 3.786 50 10 JHGE Cl[C@H]1CN(c2ncc(I)cc2Br)C[C@@]2(CCCO2)C1 2133381590 JVPQRCUNFSGDET-NOZJJQNGSA-N 457.537 3.815 50 10 JHGE O=S(=O)(c1occc1CBr)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179832276 ITOCRDVUKKEYNR-UHFFFAOYSA-N 453.402 3.851 50 10 JHGE C=C[C@]1(CCl)COCCN1C(=O)c1cc(Br)ccc1I 2199877839 OISVYLFFTLVTQO-AWEZNQCLSA-N 470.532 3.690 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCO[C@]2(CCl)C1 2239897020 VSSNAZFSTMXGAO-IINYFYTJSA-N 470.532 3.524 50 10 JHGE Cc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2269561291 CYUWUQWNWIPQFI-SANMLTNESA-N 486.377 3.567 50 10 JHGE CCn1cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)nc1Br 2303538956 MFEDKTJCFBLRDK-AWEZNQCLSA-N 459.182 3.766 50 10 JHGE C[C@H]1CCCN(CCOCCI)[C@H]1CCCNC(=O)OC(C)(C)C 2306802404 OUBOUTIWLDYWLP-HOTGVXAUSA-N 454.393 3.843 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13981067 KRYHWWHXNAUBBQ-UHFFFAOYSA-N 455.736 3.831 50 10 JHGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14664811 HZXZUNMNAHICCY-MRXNPFEDSA-N 451.548 3.730 50 10 JHGE CCn1cc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c(=O)c2cc(F)c(N3CCCC3)cc21 15973758 VQHHOHYASAQQHZ-CCVNUDIWSA-N 496.539 3.550 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)Nn2c(-c3cccc(OC)c3)nc3ccccc3c2=O)cc1 27528035 QLOXZNRQFWVWHY-XMHGGMMESA-N 452.470 3.758 50 10 JHGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-] 40645641 HGBJRLRDNVSUNT-UHFFFAOYSA-N 458.434 3.825 50 10 JHGE O=C(NNc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 40657931 GEQDOONDTCQKFS-UHFFFAOYSA-N 464.667 3.696 50 10 JHGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc(C(=O)O)cc1 40795002 CUNLXAOLRBSCLN-UHFFFAOYSA-N 454.490 3.776 50 10 JHGE C[C@@H](Sc1ccccn1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 59463408 ZTBRUHLLOWRJCP-HURAESQDSA-N 459.163 3.943 50 10 JHGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@H]4CCCO4)c(=O)oc3c2)cc1 206544493 TWEAAMPTMUQRLQ-BHSBJAHRSA-N 488.496 3.613 50 10 JHGE C/C(=C/C#N)N1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)Nc4nccs4)cc3)cc2C1=O 207422378 LDUZLQWCTPLKBH-JYRVWZFOSA-N 457.471 3.671 50 10 JHGE O=C(NC[C@@H](Br)C1CC1)c1cc(Br)ccc1I 232475051 QGOUSFPPJXDRGD-SNVBAGLBSA-N 472.946 3.957 50 10 JHGE COc1cc(C=NNC(=O)CNC(=O)c2cccc(C)c2)ccc1OC(=O)/C=C\c1ccccc1 254304041 QQEKRWRTLKRMTO-ZKEHHGPTSA-N 471.513 3.503 50 10 JHGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 254517129 KNNNENKGDNXCQR-GYIQKQDUSA-N 475.480 3.721 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCN2C[C@@H](Br)C[C@H]2C1 405290350 ZQFXVANELXNUKT-QWRGUYRKSA-N 466.999 3.505 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCC(=O)Nc2cccc3cccnc23)c(-c2ccccc2)n1 725718725 FDYNKWKSANDHLO-QNGOZBTKSA-N 475.512 3.674 50 10 JHGE COc1ccccc1N(CC(=O)NN=Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 1084609292 HVOITZRMEQNBGC-UHFFFAOYSA-N 457.939 3.694 50 10 JHGE CC(=O)c1ccc(-c2ccc(C(=O)NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)cc1 1140534146 OHFRZTYDGPEFHT-SFHVURJKSA-N 455.511 3.557 50 10 JHGE CC(=O)N(c1ccc(NC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1)[C@@H]1C[C@@H]1C 1662053816 FCZRCPYDCRTTIN-KSFYIVLOSA-N 452.555 3.977 50 10 JHGE N#CSc1ccc(NC(=O)C2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1 1860595828 DPRHOSVJQPQZTH-UHFFFAOYSA-N 476.558 3.513 50 10 JHGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NCC1CC(Br)C1 1893137786 XTBRRDXQESDELW-ABHNRTSZSA-N 455.393 3.776 50 10 JHGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)CCCOCc1ccccc1 1916364724 OWNRJHZRPSINSQ-OAQYLSRUSA-N 470.429 3.835 50 10 JHGE COc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OC)c(OC)c2)cc1 2053622764 NXUXUXDVSHNCQQ-UHFFFAOYSA-N 464.259 3.863 50 10 JHGE O=S(=O)(c1ncc(I)cc1Br)[C@@H]1CCC[C@H](Cl)C1 2069534885 AYDIZBYMFKMZOA-IONNQARKSA-N 464.550 3.772 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2C[C@H]2CBr)cc1Br 2117657821 QSSRWJZRTOMRCV-IUCAKERBSA-N 476.028 3.829 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 2121383904 IMBCXWRBJAVVPP-HLBREWBGSA-N 471.560 3.581 50 10 JHGE CN(CC[C@@H](Br)c1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2168117912 RLTDSTDQJWRGLX-HXUWFJFHSA-N 493.423 3.851 50 10 JHGE ClCCc1nc2cncnc2n1-c1cc(Br)ccc1I 2235287805 QYFFZVLBEUWDJO-UHFFFAOYSA-N 463.504 3.964 50 10 JHGE C[C@@H]1COCCN1CCO[C@@H](CI)c1cccc(Br)c1 2285516496 SVSPHYROYBXQMA-DOMZBBRYSA-N 454.146 3.663 50 10 JHGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)C=Cc1ccccc1Cl 2313752778 OBDGWWSISCYSLF-OAHLLOKOSA-N 453.951 3.996 50 10 JHGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 2314760591 OPNYGGAFAPDGMN-JOCHJYFZSA-N 460.486 3.773 50 10 JHGE Cc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCC(C)C 14667344 PJKQYIKIMKJZCR-UHFFFAOYSA-N 464.385 3.742 50 10 JHGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 14784117 GDYZBOMRCTZRCE-UHFFFAOYSA-N 496.345 3.827 50 10 JHGE Cc1c(Br)cc(NCC(=O)N/N=C\c2ccc3c(c2)OCO3)cc1Br 33154846 LSYRTBFPZYEXGY-YXSASFKJSA-N 469.133 3.811 50 10 JHGE Nn1c(SCCCC(=O)NN=C2CCCCC2)nnc1-c1ccccc1Br 58992226 PZFBLPPSXWXEGI-UHFFFAOYSA-N 451.394 3.730 50 10 JHGE CC(C)O[P@](=O)(F)OCCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 72399440 KDPHOPZAOAVYRV-DRBVLVCKSA-N 467.544 3.908 50 10 JHGE in-vitro CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O 102684343 XMVQURCTGOVJQS-HKWRFOASSA-N 460.534 3.862 50 10 JHGE CS(=O)(=O)CCCOc1c(Br)cc(Br)cc1CBr 310685156 MBLWPCZLNSTSIR-UHFFFAOYSA-N 465.001 3.920 50 10 JHGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1 1083923349 BRMQCMFZPMZRDV-UHFFFAOYSA-N 486.569 3.548 50 10 JHGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1 1083937384 FRKBFTMBWBMJDR-HXUWFJFHSA-N 472.545 3.648 50 10 JHGE COc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 1084267833 KCZMGURYGZRRRF-UHFFFAOYSA-N 485.993 3.732 50 10 JHGE CC(=NNC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1 1084293313 VZNJXPQEDCCMSE-UHFFFAOYSA-N 492.601 3.862 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084363231 XEDNIGAVUJRTKV-UHFFFAOYSA-N 485.949 3.723 50 10 JHGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(F)cc2)cc1 1084564140 NEKRSIQHDNTDTR-UHFFFAOYSA-N 453.539 3.518 50 10 JHGE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)s1 1141847539 HRDZUROPRBNPRE-INIZCTEOSA-N 458.722 3.768 50 10 JHGE C=COc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)cc1 1299158670 YIVAZEFCXUSWNS-NBVRZTHBSA-N 457.490 3.502 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 1455415934 JINLOONQOUCAIL-JOCHJYFZSA-N 458.543 3.653 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc1 1669168060 ZPVPJRJJYORSNN-GFCCVEGCSA-N 457.380 3.590 50 10 JHGE O=C(N[C@H](CC[S@](=O)C[C@H]1C[C@H]1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893118493 IKWSSANVRHZZSS-CGPVVCFKSA-N 461.967 3.744 50 10 JHGE Cc1nc(I)c(I)n1C[C@H]1C[C@@H](Br)C1 1893201153 RMBRBBWZBYQKAX-KNVOCYPGSA-N 480.913 3.574 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCOC[C@H](CBr)C1 2098237934 NURGQTWFVFQBPG-SECBINFHSA-N 455.972 3.695 50 10 JHGE O=S(=O)(c1ccsc1CBr)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2123285996 HRWQPAQRSBUWDK-DLBZAZTESA-N 455.443 3.786 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2132370927 UIPDGBSDKKHPMZ-FUHWJXTLSA-N 455.443 3.581 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@@H]2CCC[C@]2(CBr)C1 2159408481 LNDIULCGHNRWFT-BONVTDFDSA-N 450.114 3.634 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H](CCl)OCC12CC2 2183967097 WXRGLDLCOFOKTA-JTQLQIEISA-N 470.532 3.666 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2240733187 NZELOHBMMWHXJG-ABSDTBQOSA-N 497.455 3.811 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)CC1 2321873985 RTGCMRHFQZQVDV-OAQYLSRUSA-N 493.692 3.727 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2364206244 RCUIBYXDJHRQAM-UWVAXJGDSA-N 497.455 3.811 50 10 JHGE CC1(C)OCCN(C(=O)c2ccc(Cl)cc2I)[C@H]1CBr 2365591799 JBMKWLLLOMMROZ-LBPRGKRZSA-N 472.548 3.959 50 10 JHGE COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 2239777 APIHRCXYCJTAMY-XMMPIXPASA-N 473.529 3.643 50 10 JHGE C/C(=C\C#N)N1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)Nc4nccs4)cc3)cc2C1=O 8909571 LDUZLQWCTPLKBH-MDWZMJQESA-N 457.471 3.671 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc(C)c1Cl 14035302 LSKYNYVSYBDJAP-UHFFFAOYSA-N 463.987 3.706 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1 14035429 LBGYXSJUYRUSNM-UHFFFAOYSA-N 470.595 3.799 50 10 JHGE C/C(=N/NC(=O)COc1ccc(Br)cc1Br)c1ccc(O)cc1O 104579755 WASSIQOLWPOJTH-OCKHKDLRSA-N 458.106 3.542 50 10 JHGE CN1C(=C(C#N)C(=O)CCC(=O)NCC2(c3cccc(F)c3)CCOCC2)N(C)c2ccccc21 108881342 DZLJKHSYJUNOFE-UHFFFAOYSA-N 476.552 3.661 50 10 JHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(C)ccc2O)cc1OC 254310023 QUXQGHNRUFKPMX-AVRXXWGGSA-N 459.502 3.639 50 10 JHGE COC[C@@H](Br)CCNC(=O)c1ccc(I)c(Br)c1 721625059 XOXWSGVUHSXVFS-VIFPVBQESA-N 490.961 3.584 50 10 JHGE C[C@@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084522534 PIESZIPQUHIILZ-OAHLLOKOSA-N 461.503 3.538 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c1 1471691827 VGYZMGADPWVEBV-UHFFFAOYSA-N 454.914 3.742 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)cc1 1476198929 SWINKHJJHUVFQL-CQSZACIVSA-N 453.417 3.759 50 10 JHGE C#C[C@H](CC)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1568621515 WDEOXZRZFQKDBP-MUMAZLPKSA-N 453.449 3.509 50 10 JHGE CS(=O)(=O)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614621251 WVVNALWWJULNRJ-PKOBYXMFSA-N 499.370 3.877 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749504 VHDFRFYLYLQZSA-UHFFFAOYSA-N 470.573 3.950 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)C1COC1 2009658412 OGDRTCGUYHHXCD-UHFFFAOYSA-N 475.202 3.934 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(N)cc(Br)c1 2061262655 RYAMPASTANYSAI-UHFFFAOYSA-N 450.424 3.667 50 10 JHGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NC(=O)[C@H](Br)C2CCCC2)CC1 2110715366 MQAYGDFVFQOZOO-UQIGSDTPSA-N 451.427 3.869 50 10 JHGE F[C@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@H]1CBr 2120610045 LGYAMHHIHMOPET-SVRRBLITSA-N 453.015 3.874 50 10 JHGE ClCCOCC1CCN(c2ncc(I)cc2Br)CC1 2133373684 IVPPNYGYOVHFEF-UHFFFAOYSA-N 459.553 3.921 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2S(=O)(=O)c1ccc(CBr)cc1 2163057024 XQHVMEHDERUDKR-DLBZAZTESA-N 459.406 3.744 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1c(Br)cccc1Br 2178906613 KWYDFFQXUNLNAF-VHSXEESVSA-N 469.015 3.751 50 10 JHGE O=S(=O)(c1ccc(F)c(CBr)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179780530 RZHLXVQYQVOGCV-HDICACEKSA-N 453.377 3.758 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[C@@H]1Br 2221693361 OTIAKLPXEFFCHM-VHDGCEQUSA-N 476.209 3.785 50 10 JHGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1 2297413539 ZVRJIBRFRCMNMR-UHFFFAOYSA-N 460.402 3.886 50 10 JHGE CC(C)[C@@H]1C[C@@](C(=O)O)(N(C)CC2CC(Br)C2)CN1C(=O)OCc1ccccc1 2350753826 NLKULGJOVPGTRD-UEWYOLLUSA-N 467.404 3.982 50 10 JHGE CCOc1ccc(CC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 12491185 DZMVAWDBAXQBDH-UHFFFAOYSA-N 482.364 3.900 50 10 JHGE N#C/C(=C\c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)c1nc2ccccc2s1 34990552 COWGEVXKKNBJAG-BMRADRMJSA-N 471.542 3.712 50 10 JHGE COc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101341466 QKSNSUJICMWJHG-LPYMAVHISA-N 492.503 3.959 50 10 JHGE COCCCNC(=O)/C(C#N)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 102606105 IGMQZJFRWNDEGB-HTXNQAPBSA-N 457.317 3.571 50 10 JHGE COc1cc(C=NNC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254351095 RKNYGOQVQWPZDA-UHFFFAOYSA-N 462.462 3.693 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1 1084510234 IVFXERLEMOYDDA-UHFFFAOYSA-N 499.354 3.777 50 10 JHGE CC(=O)N1CCN(c2cccc(NC(=O)[C@]3(c4ccccc4)C[C@@H]3Br)c2C)C1=O 1157683162 NVIZUJDJSGVNEM-UGKGYDQZSA-N 456.340 3.827 50 10 JHGE COc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1[N+](=O)[O-] 1772752256 GCSLCRLOXRTXNS-UHFFFAOYSA-N 487.104 3.658 50 10 JHGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710114 OPWPSSTZLVFFHV-NRFANRHFSA-N 477.452 3.530 50 10 JHGE CNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)sc2c1 1866131917 TXHPIWCMYVDITK-KPKJPENVSA-N 477.365 3.513 50 10 JHGE COc1cc(Br)cc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c1OC 1873794775 AHJPTVWMOVEAIE-FVUPAENESA-N 490.420 3.563 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@H]2[C@@H]1CBr 2078298522 NXMCEXPGZGRZKY-VMAXQDLPSA-N 484.957 3.909 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@H](OCCBr)C1 2109128807 UGAABXWAYPZLLJ-LBPRGKRZSA-N 455.972 3.838 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2cc(Cl)ccc2I)C1 2121337306 MDEJAUWKSBLVGY-UYKLKCEZSA-N 476.476 3.813 50 10 JHGE COC[C@@](C)(CCl)N(C)C(=O)c1ccc(Br)cc1I 2142289610 ROAXNYBMSRTIMM-CYBMUJFWSA-N 460.537 3.770 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2172279942 NJVXGGLFBBTVQA-UJKQEGAGSA-N 465.385 3.503 50 10 JHGE C=CC[C@]1(CBr)CCN(C(=O)c2ccc(I)c(O)c2)C1 2287784402 WEMNPUFWZHSKFM-OAHLLOKOSA-N 450.114 3.800 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(Br)c1 14031638 MMONZLUWMNYZPU-HNNXBMFYSA-N 457.324 3.904 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCC(C)C 14035308 DKBVXLMASDRWCT-QGZVFWFLSA-N 457.596 3.949 50 10 JHGE O=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N/N=C\c1cc([N+](=O)[O-])ccc1O 27497891 VRFKREKLXZZFDW-AQHIEDMUSA-N 458.780 3.842 50 10 JHGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3Cl)c(C)c21 101615694 HNFUECMCSIRDPW-KOEQRZSOSA-N 468.897 3.688 50 10 JHGE COc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2C(=O)c2ccccc2)cc1OC 254511992 FIOBGRRBGPODQI-UHFFFAOYSA-N 454.486 3.884 50 10 JHGE COc1cc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@H]23)cc(OC)c1O 256026835 QXLHBVBPJVIWCW-RGOHPSFESA-N 477.585 3.716 50 10 JHGE CN(CCOCCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 312455922 SABMUSQLTNQDDK-UHFFFAOYSA-N 470.010 3.788 50 10 JHGE CC(C)(CBr)NC(=O)c1ccc(I)c(Br)c1 721575659 ALMTXFOLPHCRED-UHFFFAOYSA-N 460.935 3.957 50 10 JHGE COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c1C 768745751 CFNBRRMSQVSLMB-XNHPLOEXSA-N 453.543 3.713 50 10 JHGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2c(C)nc3ccc(C)cn23)cc1 1083917557 OQXRGRYUOZFKKE-UHFFFAOYSA-N 471.517 3.741 50 10 JHGE CCC(C)=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC 1084143328 TXAQOUXTGYGMMX-UHFFFAOYSA-N 468.373 3.555 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c(C)c1 1084366711 CKKMBNFLSNWEGK-UHFFFAOYSA-N 476.558 3.551 50 10 JHGE C=CCn1c(SCC(=O)NN=Cc2ccc(Br)cc2)nnc1-c1cccnc1 1084512087 JGEHHCIYOOIGMA-UHFFFAOYSA-N 457.357 3.531 50 10 JHGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1 1084620323 CQWMQKRXQGPSIF-UHFFFAOYSA-N 472.910 3.594 50 10 JHGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 1084630978 VUHVZOJMWOVGEZ-QGZVFWFLSA-N 478.936 3.685 50 10 JHGE C#CCN(C)CCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 1641719602 HOCZFYMOTDZBDF-HMMYKYKNSA-N 453.384 3.835 50 10 JHGE CC(=O)N1CCCc2cc(NC(=O)NNc3ccccc3I)ccc21 1668645004 SLOPKYIDHZWXRX-UHFFFAOYSA-N 450.280 3.739 50 10 JHGE Cc1nc(I)c(I)n1-c1cnccc1CCl 1936398919 FCDSEOYHQZBACQ-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)c1csc(Br)c1Br 2049915867 WOMFJPKISMHXBQ-LLVKDONJSA-N 462.001 3.899 50 10 JHGE CN1[C@@H](COc2c(Br)cc(CBr)cc2Br)CCS1(=O)=O 2144912744 NUMRZDJSXCDXOH-SECBINFHSA-N 492.027 3.519 50 10 JHGE O=S1(=O)CC[C@@H](CC(CBr)(CBr)c2ccccc2Br)N1 2146192586 QXQYADSMOXNJCM-JTQLQIEISA-N 490.055 3.559 50 10 JHGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccn([C@H]2CCCCO2)n1 2174000574 DMYMVVCTPRLIQN-QFBILLFUSA-N 456.406 3.947 50 10 JHGE NNC(=O)[C@H]1CC[C@H](COc2c(Br)cc(Br)cc2Br)C1 2181780895 DNOCTGXQEHXQDC-YUMQZZPRSA-N 470.987 3.759 50 10 JHGE O=C(N[C@H](CCl)C[C@H]1CCOC1)c1ccc(Br)cc1I 2207264224 CJSAUFDMTGLBSL-KOLCDFICSA-N 472.548 3.818 50 10 JHGE COCCn1c(CBr)nnc1-c1ccc(Cl)c(I)c1 2268270932 WFPFYVTWEUUMDA-UHFFFAOYSA-N 456.509 3.744 50 10 JHGE COc1ncc(Cl)cc1CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2301822670 KNLQYHMLPJBAQD-CHWSQXEVSA-N 468.719 3.683 50 10 JHGE COc1ccc(-c2ccc(C(=O)NN=C(C)c3ccc(S(C)(=O)=O)cc3)c(C)n2)cc1OC 2321281151 USBDMIGONKJFTN-UHFFFAOYSA-N 467.547 3.632 50 10 JHGE Cc1ccc2[nH]c(C(=O)O)c(C=NNC(=O)COc3ccc(C(=O)NCc4ccccc4)cc3)c2c1 2321697721 QHZXHDMCCRFGAU-UHFFFAOYSA-N 484.512 3.634 50 10 JHGE COc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc(Br)c1O 2328822773 VYKXIFQESLBZIP-AWEZNQCLSA-N 458.353 3.553 50 10 JHGE CCN(CCOCCBr)C(=O)c1ccc(Cl)cc1I 2340059254 VNPWRYOOSAUEAR-UHFFFAOYSA-N 460.537 3.818 50 10 JHGE COC[C@](C)(CBr)N(C)C(=O)c1ccc(Cl)cc1I 2340060449 COBHETSJXAVLFN-ZDUSSCGKSA-N 460.537 3.817 50 10 JHGE CC(C)[C@H](Br)C(C)(C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2340406215 LLLGQSAEFQOYAM-SFHVURJKSA-N 487.460 3.961 50 10 JHGE CC1(C)CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCl 2364214600 OELATCATLGUIGV-IBGZPJMESA-N 455.020 3.902 50 10 JHGE CN1CCC(CBr)(NC(=O)c2ccc(Cl)c(I)c2)CC1 2381135610 TYONHQIUPHVQCM-UHFFFAOYSA-N 471.564 3.534 50 10 JHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)Cc2ccccc2)c(C(C)C)cc1Br 13976519 UXTCJMDMBXWHFQ-UHFFFAOYSA-N 478.412 3.524 50 10 JHGE O=C(COc1ccccc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13976918 IOMVTNHHNZXDJK-UHFFFAOYSA-N 488.997 3.573 50 10 JHGE C=CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3cccc(Cl)c3)c3ccccc31)C(C#N)=C(N)O2 39919100 MXIBPWFLOFADNO-HHHXNRCGSA-N 484.943 3.915 50 10 JHGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1ccccn1 40607348 UYUAPHQCMJNADP-UHFFFAOYSA-N 455.478 3.744 50 10 JHGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cccc(Br)c2)c(OC)c1 40841067 PAARPNDLCIDYNH-OQLLNIDSSA-N 460.280 3.912 50 10 JHGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OC 40949064 BYQSGJOIFXQXCR-KTWAZNHYSA-N 489.528 3.666 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1C 106297501 VNVWCQNMQVWOBA-QFVADWCQSA-N 462.594 3.949 50 10 JHGE O=S(=O)(Nc1ccccc1I)c1ccc(CBr)cc1 115107491 ZMIZOABUBOADSV-UHFFFAOYSA-N 452.111 3.987 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 206407128 XQXDLQAXJYPMPU-PDGQHHTCSA-N 462.458 3.505 50 10 JHGE Cc1ccccc1OCC(=O)NN=C1C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 245284668 TVGKVGSLOPFVRS-UHFFFAOYSA-N 463.921 3.973 50 10 JHGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2)c1C)S(C)(=O)=O 252598240 CYUDRIWSAIORBB-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE COc1cc(C=NNC(=O)c2ccccc2O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 252630715 VDXBYFTXPHGANC-UHFFFAOYSA-N 452.379 3.773 50 10 JHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 254544593 ZHOBKJNMSNOEDT-UHFFFAOYSA-N 496.442 3.587 50 10 JHGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1O 686180612 VCXCEHRPDBBTEJ-PIEOMLNGSA-N 450.114 3.773 50 10 JHGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNc1nc(-c2cccnc2)no1 728078968 DPMRTFCJLBUNFG-INIZCTEOSA-N 463.325 3.726 50 10 JHGE CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 1084031613 UIOCWRZYXGVVNB-UHFFFAOYSA-N 472.545 3.594 50 10 JHGE COc1cc(C=NNC(=O)CCCNc2ccc(Br)cc2)cc(OC)c1OC 1084186164 LTEVYDXQLGXTPB-UHFFFAOYSA-N 450.333 3.817 50 10 JHGE CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 1084319557 VYYQFBZTCQFICZ-UHFFFAOYSA-N 464.566 3.727 50 10 JHGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1 1618535850 OZCSKUIVIFPGOP-AWEZNQCLSA-N 452.429 3.897 50 10 JHGE CC(=O)N(c1ccc(NC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1)[C@H]1C[C@@H]1C 1677827547 MZDNZRPXWBFWNA-SGTLLEGYSA-N 452.483 3.593 50 10 JHGE CC(C)SCc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)o1 1865851878 JDVKICRGSMMEKG-CYBMUJFWSA-N 474.608 3.594 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852065 OQGAOXYREFRRAX-CVEARBPZSA-N 482.606 3.640 50 10 JHGE COc1cc(Br)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1O 1873795029 OAZSKSZDQYAZJR-PDERCVKFSA-N 492.370 3.749 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(I)ccc2Br)[C@@H]1Cl 1910987646 YWJBAQUUVMAGON-MNOVXSKESA-N 458.521 3.568 50 10 JHGE CCOC(=O)c1c(CCl)ccc(I)c1I 2055330849 HEJLOCLJYLKGSD-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Br)sc2Br)C[C@H]1Br 2067181879 GHHJZZKEVDNPJJ-LPBLVHEISA-N 462.001 3.944 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NCC2(CBr)CCOCC2)C1 2106785670 PWOWUNSKWKFQIZ-QWXGXRTQSA-N 453.443 3.675 50 10 JHGE C[P@]1(=O)C[C@@H](Cl)[C@@H](NC(=O)c2cc(I)ccc2Br)C1 2121337891 PJOJRXBSTMIAAM-FDMGOTLNSA-N 476.476 3.766 50 10 JHGE C[C@](CI)(OCCO[C@@H]1CCOC1)c1ccccc1Br 2143660495 MVDHULAYVUTYEY-IUODEOHRSA-N 455.130 3.921 50 10 JHGE O=S(=O)(Nc1cc(F)c(Br)c(Cl)c1)N1CCC(Br)CC1 2162201441 IVPPBRGTGGKFJS-UHFFFAOYSA-N 450.555 3.758 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2163050573 LASVQZJVQCJIMG-HALDLXJZSA-N 461.422 3.751 50 10 JHGE CN(C(=O)c1ccc(I)c(O)c1)C1(CBr)CCSCC1 2171181838 KRVBWZRWNCKXSB-UHFFFAOYSA-N 470.170 3.730 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2233853900 PCOUZYJUGYARCM-ABSDTBQOSA-N 497.455 3.668 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@H](CBr)C[C@H]2CCCO2)c1 2240915947 SVGLBFBKLWSXJF-NWDGAFQWSA-N 452.130 3.662 50 10 JHGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccc2nc(O)[nH]c2c1 2297549011 QESMRXTZTVJVKB-UHFFFAOYSA-N 487.497 3.985 50 10 JHGE CC(CC(=O)Nc1ccc(N(C)C)cc1)=NNC(=O)COc1ccc(Br)c(C)c1 2297635514 GTYPUBROBTZLGF-UHFFFAOYSA-N 461.360 3.723 50 10 JHGE CCCCCOc1c(OC)cc(C=NNC(=O)c2ccc3[nH]c(=N)sc3c2)cc1[N+](=O)[O-] 2323597362 GZOMKQXHUJFFEQ-UHFFFAOYSA-N 457.512 3.959 50 10 JHGE C[C@H](C(=O)NN=Cc1ccc(F)c(Br)c1)n1cnc2sc3c(c2c1=O)CCCC3 2325902782 BXCLEFSBADNUFC-LLVKDONJSA-N 477.359 3.950 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@@H](CCBr)C(F)(F)F 2364017396 KKNDTXSVIZBGCN-YFKPBYRVSA-N 485.924 3.733 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2364017606 LOVYJKJYLOTTSN-VGMNWLOBSA-N 470.003 3.723 50 10 JHGE CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14023465 MRKVHVUJFAHORO-INIZCTEOSA-N 455.736 3.795 50 10 JHGE CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645608 CFFMKVVRKORBLL-UHFFFAOYSA-N 462.344 3.907 50 10 JHGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1 14651265 YSQQYPDASVNDEO-UHFFFAOYSA-N 464.385 3.823 50 10 JHGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2[N+](=O)[O-])c1 40658600 JREFVVLYUUZRHV-UHFFFAOYSA-N 456.846 3.715 50 10 JHGE Cc1c(C(=O)Oc2cccnc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823125 VWFLGYYPEHTNLW-PCLIKHOPSA-N 469.295 3.830 50 10 JHGE O=C(N/N=C/c1cccc2ccccc12)c1nonc1C(=O)N/N=C/c1cccc2ccccc12 59503375 AAJVCKZBDMKMAE-DPCVLPDWSA-N 462.469 3.904 50 10 JHGE O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(N2CCOCC2)o1 59678405 YGMZMGOGSNHXSV-FOKLQQMPSA-N 460.250 3.590 50 10 JHGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2)cc(OCC)c1OCC 207085587 BRGAAWJODYBLHY-ZHZULCJRSA-N 482.533 3.771 50 10 JHGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(C[C@H]4CCCO4)C(=O)C(C#N)=C3C)o2)cc1 214328004 QECDLIASNAADCC-TUNPGAEXSA-N 460.486 3.895 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](Br)C1 232460966 BSOYIDSKPKFZMP-MRVPVSSYSA-N 458.919 3.663 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1cc(Br)cc(Br)c1 235287143 BWGNVCUUMBXXQR-PRHODGIISA-N 455.972 3.836 50 10 JHGE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)[C@@]13CC[C@@](C)(C(=O)[C@@H]1Br)C3(C)C)C2 256019104 LNPUZCWITYHDSH-NUXPGQICSA-N 451.405 3.675 50 10 JHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2cccs2)c2ccc(C)cc2)cc1OC 263629540 STHGVTQHEXYRSP-UHFFFAOYSA-N 487.603 3.809 50 10 JHGE O=C(N[C@@H](CCI)C(=O)O)OCC1c2ccccc2-c2ccccc21 307123075 WUMHLUDKFHNQNJ-KRWDZBQOSA-N 451.260 3.803 50 10 JHGE Cn1c(SCC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)nnc1-c1cccs1 726752414 LIYWFZJUPWLLBL-UHFFFAOYSA-N 497.577 3.815 50 10 JHGE CN(C)c1cccc(C(=O)NNC(=O)/C=C\c2cc(Br)ccc2OC(F)F)c1 1086846421 HFUUKJQZJFWVGG-TWGQIWQCSA-N 454.271 3.591 50 10 JHGE O=C(Cn1nnc(-c2ccc(OCc3ccccc3Cl)cc2)n1)NNC(=O)c1ccc(Cl)cc1 1088681901 BKUJWUOLRHKLDJ-UHFFFAOYSA-N 497.342 3.687 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(C)c2)CCC3)cc1 1772744417 DEVZHSQNAOSRRL-UHFFFAOYSA-N 458.518 3.750 50 10 JHGE O=C(CN1C(=O)c2ccccc2C1=O)NNc1ccc(OCCOc2ccccc2Cl)cc1 1858080452 DZNVPOQGNULQIL-UHFFFAOYSA-N 465.893 3.537 50 10 JHGE Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)c1 1865851459 CCEGOOZBVQUUCW-NVXWUHKLSA-N 494.617 3.571 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1sccc1Br 2023039170 HOFNQMXMRGVWQE-CBAPKCEASA-N 452.177 3.639 50 10 JHGE O=S1(=O)CC[C@H](COc2c(Br)cc(Br)cc2CBr)C1 2092342489 JUOSDKFKDWYNGG-MRVPVSSYSA-N 477.012 3.920 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2COC[C@@H](C1)C2Br 2111478828 ZULMVAWYIHAHAB-UZRSXYIYSA-N 474.012 3.755 50 10 JHGE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NS(=O)(=O)c1ccc(CBr)cc1 2166632212 WBOFFESRJXOEMY-AREMUKBSSA-N 483.450 3.673 50 10 JHGE CN(C)C[C@H](Br)CN(C)Cc1ccc(I)c(Br)c1 2325207010 MWUUMGMWTHFQIO-NSHDSACASA-N 490.021 3.811 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CCOCCI)C1 2326653736 JPEGPYZQDWQXEH-INIZCTEOSA-N 460.356 3.784 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2330879418 CPJWHESKWYGXOY-LKEWCRSYSA-N 474.012 3.755 50 10 JHGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)c1 2331325397 VGFRXBBKDYFXAT-UHFFFAOYSA-N 471.560 3.907 50 10 JHGE CN1CCN(Cc2ccc(Cl)c(I)c2)[C@@H](CCBr)C1 2337221271 MNXVBSQWHAAPIM-LBPRGKRZSA-N 457.581 3.846 50 10 JHGE CCC(CC)[C@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338849603 JVKVZFUEHBBPFV-LJQANCHMSA-N 487.460 3.962 50 10 JHGE O=C(NC1(CBr)CCOCC1)c1ccc(Cl)cc1I 2340053856 GDHZAUUBCBLVDY-UHFFFAOYSA-N 458.521 3.619 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2364216428 OBXOILSIZMJLJV-BCDXTJNWSA-N 497.455 3.811 50 10 JHGE O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 12500745 DNQWYCCMPMVMFK-JLHYYAGUSA-N 484.375 3.716 50 10 JHGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1Br 14645598 MXHJIMWDPYKHDF-UHFFFAOYSA-N 450.289 3.857 50 10 JHGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)/C=C/c2cc(Br)ccc2F)cc1 15354869 USGSIMGUDJCKOB-HQAMWZJRSA-N 451.292 3.615 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 33733250 CHTGGYKRDLGUFE-PBEQFFAXSA-N 460.328 3.760 50 10 JHGE C[C@@H](NC(=O)/C(C#N)=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCCC2 217204282 USVBCJDNUGHBKA-SWYXWEQBSA-N 472.589 3.697 50 10 JHGE O=C(NCCCCBr)c1cc(Br)ccc1I 232479053 IOUAUSFODUZSPJ-UHFFFAOYSA-N 460.935 3.959 50 10 JHGE COc1ccc(N2NOC(=O)/C2=C(/O)N=C2[S+]=C3C[C@@H](C(C)(C)C)CCC3=C2C#N)cc1 585673294 WVEGXYXOXASLBI-ZDUSSCGKSA-O 453.544 3.539 50 10 JHGE CC(=O)Nc1ccc(CCNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 729058065 HVOKIVYUQVNDQM-UHFFFAOYSA-N 464.497 3.550 50 10 JHGE CCCCn1nc(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)ccc1=O 1087850343 WQHNBSLGUKBUJN-UHFFFAOYSA-N 475.936 3.987 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(F)c(Br)c(F)c2)cc1 1216395222 JSBYGUZQPMEKLQ-JTQLQIEISA-N 456.243 3.550 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(Br)s1 1259060548 VCAKSWTWORUDND-UHFFFAOYSA-N 477.493 3.695 50 10 JHGE COc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1)C(=O)N2CC(C)C 1772720661 RADGDHHCKRWNSK-UHFFFAOYSA-N 464.566 3.509 50 10 JHGE CCCCCN1C(=O)C(=NNC(=O)CCNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 1772721001 ZNDKQNOTIHLJIK-UHFFFAOYSA-N 470.957 3.526 50 10 JHGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)CC1 1772743695 JEWLCPCSZDHSNM-UHFFFAOYSA-N 487.398 3.599 50 10 JHGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc(Br)c1O 1865687817 AYROKTCDSBORAU-SFHVURJKSA-N 482.338 3.915 50 10 JHGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1865758078 IJTKAYFULZQDRP-KRWDZBQOSA-N 456.518 3.604 50 10 JHGE O=C(NCc1nnc(CBr)s1)c1cc(Br)cc(Br)c1 1877557616 FMYADAUQHNHOMU-UHFFFAOYSA-N 469.984 3.888 50 10 JHGE O=C(N[C@H](C[S@](=O)C[C@H]1C[C@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1883576865 HHDGURMDMYIUHK-XOWRZYFKSA-N 492.391 3.510 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cccc(Br)c2Br)[C@H]1Br 1910986759 SWSLGFKFMVPRAD-GXSJLCMTSA-N 455.972 3.882 50 10 JHGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@H](Br)C(F)(F)F)C1 1955942727 CMWOUMPXFMYSNQ-HNNXBMFYSA-N 467.326 3.796 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC=C[C@@H](Br)C1 2000853499 HTCVDEATQBPEMU-MRVPVSSYSA-N 470.930 3.829 50 10 JHGE Oc1ncnc(N2CCC[C@]3(CBr)CCCC[C@H]23)c1I 2165250457 URRAYRWMLKQWHR-HZMBPMFUSA-N 452.134 3.711 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179865327 PWHOTVZKLXFOOL-UHFFFAOYSA-N 463.344 3.706 50 10 JHGE Cc1ccc(I)c(C(=O)N2C[C@@H](Br)[C@H](Br)C2)c1 2217409139 OYDHEERXSGNGMA-NXEZZACHSA-N 472.946 3.582 50 10 JHGE CN(Cc1nn(C)nc1Br)c1cccc(Br)c1CBr 2226955894 MIWVFIQNVNHAEX-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE O=C(NC[C@@H](CBr)C(F)(F)F)c1c(F)cccc1I 2267701284 XAWADGLYAIRNKQ-ZCFIWIBFSA-N 453.999 3.734 50 10 JHGE C=CCN1C(=O)C(=CNc2c(Br)cc([N+](=O)[O-])cc2Br)C(C)=C(C#N)C1=O 2314585815 VMXVOMMDUHJOSL-UHFFFAOYSA-N 496.115 3.810 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CCC2)C[C@H]1CCl 2364213872 JPKWVSWMVQIUIL-KRWDZBQOSA-N 453.004 3.656 50 10 JHGE CN(C1CC2(CSC2)C1)S(=O)(=O)c1cc(CBr)sc1Br 2381711458 ZHNHCKJKFHGXLT-UHFFFAOYSA-N 461.266 3.922 50 10 JHGE C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14033908 XYHRUHIGIDDXDE-LBPRGKRZSA-N 456.282 3.676 50 10 JHGE CCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(OCC)cc2)cc1Br 14647320 SFONDIMLRLFKQG-UHFFFAOYSA-N 492.370 3.817 50 10 JHGE COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1[N+](=O)[O-] 40840407 GCSLCRLOXRTXNS-UFWORHAWSA-N 487.104 3.658 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)CSCc3ccccc3)c3ccccc32)cc1 59147277 CFPVYDFGUYSIEX-XLVZBRSZSA-N 472.570 3.734 50 10 JHGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1 59878135 LZWRJEISBYSJDO-HNNXBMFYSA-N 473.002 3.817 50 10 JHGE C[C@@H](Nc1ccc(Br)cc1)c1nnc(SCC(=O)NN=Cc2ccccc2)n1C 252612230 IQQIYKHVRZUCQB-CQSZACIVSA-N 473.400 3.993 50 10 JHGE COc1ccc(I)c(I)c1CBr 307453190 ZWFCOURKAYABRS-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE Cn1cnnc1C1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 915192965 AGYHUUUMAYAPOU-UYRXBGFRSA-N 474.956 3.559 50 10 JHGE O=S(=O)(NCc1cccc(I)c1)c1ccc(CBr)cc1 1260512259 MRQKSCYYYHPUSS-UHFFFAOYSA-N 466.138 3.665 50 10 JHGE CC(=O)c1ccc(-c2ccc(C(=O)NNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 1354033967 QBZKKSRUAVQFIM-UHFFFAOYSA-N 455.511 3.557 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc(Cl)c1O 1865706899 IFRSICODLBUYLW-CQSZACIVSA-N 463.803 3.872 50 10 JHGE CC(C)(CBr)N(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 1915762489 LBDDUEBFZAQBMI-UHFFFAOYSA-N 474.442 3.674 50 10 JHGE O=C(Cc1ccccc1I)NCCCCCCI 2027333910 NDNXAVILEOIKED-UHFFFAOYSA-N 471.120 3.945 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H](Br)C(F)(F)C1 2034595461 NKYSOSJAMBBRHC-SECBINFHSA-N 494.899 3.908 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCCC[C@H]1CBr 2089706366 ADIJMIFJPWQBIR-DLBZAZTESA-N 485.444 3.574 50 10 JHGE O=S(=O)(c1ccc(Br)cc1Cl)N1CC(F)(F)C[C@H]1CBr 2159048616 GKWSFAYKBQVHKZ-QMMMGPOBSA-N 453.530 3.896 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2COC[C@@H](C1)C2Br 2167770362 QPQVGLXKCAMKBL-PHXKMMTBSA-N 467.983 3.694 50 10 JHGE Brc1ccccc1[C@@H](CI)OCCCN1CCOCC1 2175870122 MJAPWDUCQKYORC-OAHLLOKOSA-N 454.146 3.664 50 10 JHGE C[C@@H](Cl)C[C@@H]1COCCN1C(=O)c1ccc(Br)cc1I 2207261340 KWLKXDCEPZNXJY-MWLCHTKSSA-N 472.548 3.912 50 10 JHGE COC1(CCl)CCN(C(=O)c2ccc(Br)cc2I)CC1 2207272880 QDUZIPWHEPRFFE-UHFFFAOYSA-N 472.548 3.914 50 10 JHGE COC[C@@](C)(CBr)N(C)C(=O)c1ccc(Cl)c(I)c1 2268344834 MGBVNTVUTXQTPA-CYBMUJFWSA-N 460.537 3.817 50 10 JHGE COc1ccc([C@@H](Br)C2(S(C)(=O)=O)CCC2)cc1I 2269543800 NCYNTOBWOSMPRT-GFCCVEGCSA-N 459.143 3.703 50 10 JHGE CCN(C[C@@](C)(CI)OC1C[C@@H](OC)[C@H](OC)C1)C(=O)OC(C)(C)C 2309207643 XOGRTDRZDJVPMO-IIDMSEBBSA-N 471.376 3.646 50 10 JHGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(CC(=O)O)cc1 2325406325 RGAMRDGSVBXASX-UHFFFAOYSA-N 461.259 3.685 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CCCC[C@@H]1Br 2338862601 XTGNORQFLAVANT-SFYZADRCSA-N 457.992 3.629 50 10 JHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@@H]2CCC[C@H]21 2367698490 LBDXAQHLBXODMB-IAGOWNOFSA-N 459.406 3.744 50 10 JHGE O=C(CCC(=O)Nc1ccccc1)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779699 MSXNXLVJYIYHIZ-UHFFFAOYSA-N 489.153 3.701 50 10 JHGE Cc1cccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)c1C 9779871 BNLYQEQYBLMOLR-UHFFFAOYSA-N 476.154 3.978 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 13983654 GMTWSAGIHMDWIZ-ZDUSSCGKSA-N 464.385 3.677 50 10 JHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14012724 RKGRQBCHVBPRIL-UHFFFAOYSA-N 468.579 3.553 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1 40877793 PUOUEQWEMVGSGG-OQLLNIDSSA-N 479.316 3.656 50 10 JHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NC[C@H]1CCCO1 210034752 JGPJLCYAJALBQK-DUBROFONSA-N 456.502 3.513 50 10 JHGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3coc4ccccc4c3=O)cc2)cc1 254746869 LXGWQXUEHFLVBO-UHFFFAOYSA-N 461.499 3.666 50 10 JHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N(CC#N)CC#N)[C@H]2Br 256019381 YCWFJAQXPKXFGB-HERUPUMHSA-N 482.014 3.548 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1scc(Br)c1Br 705409913 PLKZDSSFRCGKJD-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1 727364845 FOSXJICQZCSKHL-UHFFFAOYSA-N 450.583 3.709 50 10 JHGE COc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 1083902679 HAWKZGUGUVROGX-UHFFFAOYSA-N 493.516 3.746 50 10 JHGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)c2ccc(OCC)cc2)cc1OC 1084480570 KFLFOGNJASYKMZ-UHFFFAOYSA-N 479.327 3.562 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)c1 1471691505 GUGOBKIFFDZWHH-UHFFFAOYSA-N 456.453 3.852 50 10 JHGE CCOC(=O)Cc1cc(OC(F)(F)F)nc(I)c1CBr 1848387593 GPLBMFZLLQDHSH-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE O=C(CN1C(=O)c2ccccc2C1=O)NNc1ccc(OCCOc2ccc(Cl)cc2)cc1 1858080473 GOEQDGZXAYLNQM-UHFFFAOYSA-N 465.893 3.537 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2csc(Br)c2Br)C[C@@H]1Br 2067190858 HQZWXOIXQIQSQK-APQOSEDMSA-N 462.001 3.944 50 10 JHGE COC[C@@H](CCBr)NC(=O)c1ccc(Br)cc1I 2086147706 QMBULGLLCSAQKV-SECBINFHSA-N 490.961 3.584 50 10 JHGE C[C@](CI)(OC[C@H]1COCCCO1)c1ccccc1Br 2154011989 AJSOLNSTFRKQDZ-IUODEOHRSA-N 455.130 3.921 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154107335 YQVKMCVIGAFLNA-CYZMBNFOSA-N 450.114 3.917 50 10 JHGE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)S(=O)(=O)CCC(CCl)CCl 2163052285 BVYMEBPLPIYKFR-UHFFFAOYSA-N 459.358 3.579 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H](CCCl)O1 2179383405 MTBDSVPPYBYRNZ-GXSJLCMTSA-N 472.548 3.912 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@H](CI)C(C)C)c1 2217397887 VPWKFWBUZAVGDU-GFCCVEGCSA-N 457.093 3.789 50 10 JHGE CN(C1CSCCSC1)S(=O)(=O)c1cc(CBr)sc1Br 2237061715 SUFMBUQZYFEFIG-UHFFFAOYSA-N 481.322 3.875 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)CCO1 2295312506 YHFPMDMGMLKBMJ-TVQRCGJNSA-N 469.999 3.765 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295315118 HRYXUQGKZIHUBZ-NOZJJQNGSA-N 469.999 3.765 50 10 JHGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NNC(=O)c2ccccc2)cc1 2313682566 GDWUMKHTMJWSDK-UHFFFAOYSA-N 456.502 3.663 50 10 JHGE COc1ccc(-c2ccc(C(=O)NN=C(C)c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)c(C)n2)cc1OC 2321281011 BSRUHPCDJZCYPD-QGZVFWFLSA-N 488.544 3.972 50 10 JHGE CC(C)[C@@H]1C[C@@](NC[C@H]2C[C@@H](Br)C2)(C(=O)O)CN1C(=O)OCc1ccccc1 2324779237 JLXYZKVPKMXLOZ-NYUBLWNDSA-N 453.377 3.640 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@H]1[C@H]2CBr 2333087470 QAEHRSIRMKYXIJ-POZPLHJXSA-N 474.012 3.616 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)C[C@]1(CBr)CC1(F)F 2351892852 VDHISFLSQMYWPA-SNVBAGLBSA-N 465.962 3.797 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2355845350 MZKWOSHQKTUJPW-MHTWAQMVSA-N 455.462 3.724 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCCC[C@H](Cl)C1 2364215085 RDUPSIDIMQMYQO-MSOLQXFVSA-N 455.020 3.950 50 10 JHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 9821722 LMUMFAVPTNVDKM-UHFFFAOYSA-N 463.559 3.718 50 10 JHGE O=C(CCCCCNC(=O)c1ccccc1Br)N/N=C1/C(=O)Nc2ccc(Cl)cc21 27520788 WVQXHBPGOWGARQ-UHFFFAOYSA-N 491.773 3.865 50 10 JHGE CCOc1ccc(NCc2nnc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n2-c2ccccc2)cc1 59844881 OCQWVZSMGQZWEM-QGZVFWFLSA-N 494.621 3.706 50 10 JHGE CCOC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(OC)cc2)N2C=C(C#N)C=C[C@H]21 504579728 QRONPCGXIRMSDP-GIBNYFNHSA-N 483.524 3.773 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H]1Br 721580774 VMFVNXQUSHMHPT-OIBJUYFYSA-N 472.946 3.909 50 10 JHGE Cn1cc(C(=O)NNC(=O)c2ccc(I)cc2Cl)c2ccccc21 728017910 CVUTVVLZEFOXNI-UHFFFAOYSA-N 453.667 3.511 50 10 JHGE CC(=O)N1CCC[C@H]1C(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 750422754 LBDDKDTUNXUTIY-FQEVSTJZSA-N 461.440 3.627 50 10 JHGE CC(=O)Oc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 1084365320 NHUBXBAQACBQGO-UHFFFAOYSA-N 499.976 3.995 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)c1cc2ccccc2cc1O 1084475004 DSASVRUCSSOJNW-UHFFFAOYSA-N 474.433 3.928 50 10 JHGE O=C(NN=Cc1ccc(N2CCCC2)o1)c1cc(Br)cc(Br)c1O 1084562856 YVCDNDHLZPRMLQ-UHFFFAOYSA-N 457.122 3.874 50 10 JHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745275 VLZYFSZKOMPGGZ-UHFFFAOYSA-N 463.465 3.856 50 10 JHGE CC(C)c1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771733 GHGFVMIAFVOLQH-ISBHARSQSA-N 464.591 3.882 50 10 JHGE CC(C)(NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866888785 YVYSFKBAEFAOQL-UHFFFAOYSA-N 465.984 3.610 50 10 JHGE Brc1cc(I)cnc1N1C[C@H]2C[C@H](Br)[C@H]1C2 1988534791 PDSAVTHWZWFBQM-KADJCCMJSA-N 457.935 3.811 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1cc(Br)sc1Br 2006159091 NTKZAWUHGGCZAH-CRYJXSNHSA-N 465.026 4.000 50 10 JHGE CCOc1cc(I)c(C(=O)CBr)cc1I 2060133132 UGMRPVNYSYUGOF-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE O=S(=O)(c1c(Cl)cccc1Br)N1CCC(CI)CC1 2098615934 FPTJIBLQIRDVKP-UHFFFAOYSA-N 478.577 3.938 50 10 JHGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2ccc(CCBr)cc2)CC1 2179788487 CQCCLERPGBHZDK-UHFFFAOYSA-N 451.430 3.909 50 10 JHGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1ccc(CBr)cn1 2179809887 ZIMNSBATSPVREE-SJORKVTESA-N 452.418 3.508 50 10 JHGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179825387 GLWIOSBZFWQOAO-QHAWAJNXSA-N 455.462 3.868 50 10 JHGE O=S(=O)(N[C@@]12CC[C@@](CBr)(C1)OC2)c1cc(Cl)c(Br)s1 2190204495 WFXYFXJHJIAJRL-QWRGUYRKSA-N 465.616 3.529 50 10 JHGE O=C(NCCCCI)c1ccc(Cl)c(I)c1 2243595788 AZDQPBXLOQTZIS-UHFFFAOYSA-N 463.484 3.890 50 10 JHGE C[C@@H](Br)CN(CCC(C)(C)C)C(=O)c1cnn(C)c1I 2288048220 LAUYSZRQBOQARB-SNVBAGLBSA-N 456.166 3.687 50 10 JHGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O 2296543609 QCSJONGYGNHKGC-UHFFFAOYSA-N 460.534 3.862 50 10 JHGE CCCOc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)N2CCOCC2)cc1OC 2314796013 NOMDLZKSXLWNFR-UHFFFAOYSA-N 476.529 3.869 50 10 JHGE CC(C)(CI)CN1Cc2ccccc2C[C@H]1CNC(=O)C(F)(F)F 2326673693 VEKSAQUKYNJRQY-AWEZNQCLSA-N 454.274 3.553 50 10 JHGE CC[C@@H]1[C@@H](CBr)CCN1C(=O)c1c(Br)c(Br)nn1C 2338864728 XQGDNLYOAVWZFS-HTQZYQBOSA-N 457.992 3.581 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1ccc(Cl)cc1I 2365586770 PPMURNYPXWFNBC-NEPJUHHUSA-N 470.532 3.759 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370333021 RBVHXTNTQHANLG-VGWMRTNUSA-N 465.369 3.867 50 10 JHGE CS(=O)(=O)C1CC(CO[C@H](CI)c2cccc(Br)c2)C1 2380701554 HZPQHMPSMXFEGB-UZANAETPSA-N 473.170 3.765 50 10 JHGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(Br)o1 12570810 QGLJVZVNAIUJCW-UHFFFAOYSA-N 495.182 3.844 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1C 13992878 CQBJIUMHKRCDCR-UHFFFAOYSA-N 463.372 3.969 50 10 JHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)c1 14041952 ANWNSWYSIOHBSZ-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1COc1ccccc1C(N)=O 96438830 UWXOBYZAJIUNTE-AQTBWJFISA-N 457.486 3.927 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)CCBr)cc1Br 134259194 DAEKTMZHENOGMO-QMMMGPOBSA-N 464.017 3.972 50 10 JHGE N#Cc1cc(CCl)ccc1-n1cnc(I)c1I 304464524 YPJSMJCQSDJVCT-UHFFFAOYSA-N 469.451 3.692 50 10 JHGE O=S(=O)(c1cc(CCl)sc1Br)N1CC2(CN(Cc3ccccc3)C2)C1 706185621 XCPUHWXDAVCSII-UHFFFAOYSA-N 461.834 3.756 50 10 JHGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(O)c(OCC)c2)cc1 1084399104 BIPMGBJHVVEDFH-UHFFFAOYSA-N 454.264 3.558 50 10 JHGE C#CCN(CC(=O)NNc1cc(C(F)(F)F)ccc1Br)C(=O)OC(C)(C)C 1630074852 OPXWWNCFFHNZDP-UHFFFAOYSA-N 450.255 3.781 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(=O)O)cc2)cc1 1865708901 ISNANNRQFMXFSQ-MRXNPFEDSA-N 456.380 3.816 50 10 JHGE Brc1cccc(Br)c1CO[C@@H]1COC[C@@H]1I 1901778083 OQISTXHBUUEUQN-WDEREUQCSA-N 461.919 3.931 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2c(Br)cccc2Br)[C@@H]1Br 1910987702 ZEGZYEIULUWTJW-KOLCDFICSA-N 455.972 3.882 50 10 JHGE CN1CCC[C@@H]([C@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2089534755 HSNZJQOJKACDJI-NWDGAFQWSA-N 478.577 3.758 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl 2181744295 AYOVMQZYEBLLSH-UHFFFAOYSA-N 476.473 3.760 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CCSCC(F)(F)C1 2193337518 MSBKLHOTNRLBCX-UHFFFAOYSA-N 471.208 3.778 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Cl)c1cc(I)ccc1Br 2206485722 JJOMVDJOVHJIRQ-VXGBXAGGSA-N 470.532 3.712 50 10 JHGE O=C(N[C@@H](CBr)c1cscn1)c1c(F)cccc1I 2267661885 ZWFURNIEDAZGSY-VIFPVBQESA-N 455.090 3.753 50 10 JHGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2293038588 NIKLRKPMVBAVBB-KRWDZBQOSA-N 487.335 3.530 50 10 JHGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccco2)cc1 2321698136 MNHDBJFSNNVQJI-UHFFFAOYSA-N 497.507 3.958 50 10 JHGE CC(C)n1nc(Br)nc1CNCCSSCCNC(=O)OC(C)(C)C 2328500462 JKFIPGSTDWVUBZ-UHFFFAOYSA-N 454.460 3.617 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cn(CCOC)c2ccc(OC)cc12 2328796662 QSUNPFFLPNJRTC-KKSFZXQISA-N 460.575 3.686 50 10 JHGE C[C@H]1CC[C@H](CBr)N(C(=O)c2c(Br)c(Br)nn2C)C1 2338684918 TZSNCBWQEBPOBD-JGVFFNPUSA-N 457.992 3.581 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1ccc(Cl)cc1I 2340061468 OHBUMXRYTOSLEO-PSASIEDQSA-N 458.521 3.617 50 10 JHGE COCCO[C@@H]1[C@H](Cl)C[C@H]1OCc1ccc(I)c(Br)c1 2377593609 GQPIBTXZQFMTRM-MRVWCRGKSA-N 475.548 3.982 50 10 JHGE O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 15540709 FXRBQBHSGXMBPI-FOCLMDBBSA-N 453.458 3.922 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38687370 PCJQILNDMSEZJX-ZEQRLZLVSA-N 456.454 3.659 50 10 JHGE Cc1ccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1Cl 40591072 ITDBBZXREFPSAA-UHFFFAOYSA-N 457.834 3.684 50 10 JHGE COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccn2)ccc1OCc1ccc(C(=O)O)cc1 59146795 AMZVIYHQBKFFHB-JOBSNELWSA-N 465.531 3.998 50 10 JHGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC 97729845 RTXCVMUPWUBSOZ-VULFUBBASA-N 451.454 3.868 50 10 JHGE COc1ccc(N/C=C2/C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)c(OC)c1 103518358 NFWAZTNYYJDXTG-RCCKNPSSSA-N 456.502 3.932 50 10 JHGE C/C(=C/C#N)N1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)Nc4nccs4)c3)cc2C1=O 207421672 MJGFQEYKFNAYJY-QPEQYQDCSA-N 457.471 3.671 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254287640 DOHYBOKCMLLIOU-UHFFFAOYSA-N 477.473 3.969 50 10 JHGE COc1ccc(CC(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 254304173 CCUVHZVRZXCOKB-UHFFFAOYSA-N 493.472 3.533 50 10 JHGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3cccc4ccccc34)nnn2-c2nonc2N)cc1 254812534 KKSOGSBZUXPYJB-UHFFFAOYSA-N 482.504 3.605 50 10 JHGE O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cc(-c2cccc(Cl)c2)no1 303287085 WDBKXLSQHFCASC-UHFFFAOYSA-N 499.914 3.828 50 10 JHGE CC1(C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1 334163718 MUQNGPZZQDCDFT-YTFORWJDSA-N 454.966 3.889 50 10 JHGE CCCS(=O)(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 728018314 KFTMQRKJJISFAM-UHFFFAOYSA-N 485.537 3.631 50 10 JHGE CC(=NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1ccc(OCC(=O)N2CCCC2)cc1 730583938 RBEYDHXQBRSRJB-QGZVFWFLSA-N 465.579 3.638 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1083896194 BTXGMGFVPCEHCH-UHFFFAOYSA-N 477.586 3.635 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084146912 KTWQWXQHHUYSRJ-UHFFFAOYSA-N 493.585 3.914 50 10 JHGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2c(C)cccc2C)c1C)S(C)(=O)=O 1084205649 UQGYGRBJNQLPKA-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE CC(=O)N1Cc2ccc(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cc2C1 1630540787 PQDFANKQILVBMB-CIAFOILYSA-N 450.502 3.872 50 10 JHGE Cc1c(C(=O)NCc2ccccn2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746078 BLKRCDRMHMZGJF-UHFFFAOYSA-N 494.367 3.903 50 10 JHGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)CCCSc3ccc(C)cc3)cc2C1=O 1865755750 OFTYBEKXYRLKLY-INIZCTEOSA-N 453.564 3.723 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1cccc(CBr)c1 2029213897 ZVEQBCFHKUNYIR-UHFFFAOYSA-N 465.369 3.790 50 10 JHGE C[C@H]([C@H](Br)c1c(Br)cccc1Br)S(=O)(=O)N(C)C 2033092678 CWVVTSKZXLAOHS-HQJQHLMTSA-N 464.017 3.928 50 10 JHGE COc1cc(C=CC(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)cc(Cl)c1OC 2040499033 FKTWECGCJBOTRB-UHFFFAOYSA-N 467.909 3.804 50 10 JHGE Brc1ccc(CN2CCN3C[C@@H](Br)C[C@@H]3C2)c(Br)c1 2092268737 ZWTHKGVOZKAUMB-QWHCGFSZSA-N 453.016 3.865 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC[C@H](CBr)C(C)(C)C)CC1 2107393911 SBGUYBOUKJTIGZ-HAWMADMCSA-N 454.475 3.999 50 10 JHGE O=S(=O)(N[C@@H](CBr)c1cscn1)c1ccc(Cl)c(Br)c1 2175671796 YMDRSAQWKHFHOZ-JTQLQIEISA-N 460.600 3.974 50 10 JHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(C)ccc2O)cc1OC 2296653200 QUXQGHNRUFKPMX-UHFFFAOYSA-N 459.502 3.639 50 10 JHGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC(=O)OC 2313566920 DJUMMPYUOVPDGZ-UHFFFAOYSA-N 489.572 3.621 50 10 JHGE CCCCOc1c(OC)cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 2323081462 VPGFHYMIYOHJPJ-UHFFFAOYSA-N 457.512 3.901 50 10 JHGE N#CC(=CNc1ccc(I)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325282040 IYZBSAPJZFBTNU-UHFFFAOYSA-N 476.293 3.598 50 10 JHGE CCCOc1ccccc1C=CC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 2325885330 ZLXQQOOXGXKEJU-MRXNPFEDSA-N 480.590 3.547 50 10 JHGE CCCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OCC 2325904283 LMXGWONFAHVIGE-MRXNPFEDSA-N 482.606 3.921 50 10 JHGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331236717 YBIAJCNNKCXEKT-UHFFFAOYSA-N 477.414 3.715 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](OCCCBr)C1 2365585963 GYMVHSKLICWACJ-NSHDSACASA-N 472.548 3.961 50 10 JHGE CC(=O)N1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2cccc(Cl)c2)C3)c2ccccc21 2348557 QGOWFMNANXUBOE-MQNRADLISA-N 459.889 3.596 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1nccs1 35520042 JVYSSTNZJFLORW-JJBLJPBOSA-N 462.531 3.954 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38688127 NBRZXCFQOGIDRL-GOTSBHOMSA-N 471.425 3.558 50 10 JHGE COc1ccc(CCNC(=O)CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC 59566538 STLTWLHDOKFLEM-STBIYBPSSA-N 476.577 3.619 50 10 JHGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NN=Cc2ccc(N(C)CCC#N)cc2)cc1 254819678 OASSFVGJZWRJQS-UHFFFAOYSA-N 469.611 3.611 50 10 JHGE COCc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c1C#N 254898175 ORBORCIVILHAKM-UHFFFAOYSA-N 492.561 3.966 50 10 JHGE CCOC[C@H](Br)CNC(=O)c1cc(Br)ccc1I 381316913 FEAVYLBHUSZNTA-SECBINFHSA-N 490.961 3.584 50 10 JHGE CO[C@]1(CBr)CCCN(C(=O)c2cccc(C)c2I)C1 401894590 JDMKHDKCROOBGJ-HNNXBMFYSA-N 452.130 3.616 50 10 JHGE COc1ccc(N(CC(=O)NN=C(C)C(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 725383834 RXNXYJVJXRSSPL-UHFFFAOYSA-N 461.584 3.746 50 10 JHGE Cc1csc([C@@H](C)NC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)n1 727678202 KWJHHFIWNOSZFN-BRYYZUPOSA-N 468.970 3.628 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c(C)n1C[C@H]1CCCO1 731338257 SGYRDXYQQNKRKK-QJQCDQNHSA-N 497.617 3.782 50 10 JHGE O=C(NN=Cc1cc(O)c(O)c(Br)c1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 1082988469 IFQWSEVNCIQSFY-MLTHIOATSA-N 480.318 3.782 50 10 JHGE C[C@H]1CCCCN1C(=O)Cn1cc(/C=C(/C#N)C(=O)NC2CC2)c2cc(Br)ccc21 1083911125 HSVLVYZMKQCPAM-HEUOVEHFSA-N 469.383 3.990 50 10 JHGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 1566560347 DBMUDXVSRFSIHB-KRWDZBQOSA-N 452.502 3.550 50 10 JHGE Cc1cc(OCC(=O)NN=C2C(=O)N(C)c3ccc(Br)cc32)cc(C)c1Cl 1772752734 LWSHSEIKNKLNBS-UHFFFAOYSA-N 450.720 3.595 50 10 JHGE Cc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860770226 YLWKLKRAPKOMRI-OUKQBFOZSA-N 458.543 3.603 50 10 JHGE CCc1ccc(OCCCC(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)c(Br)c1 1873777832 TZIMCFZQAHICST-GOSISDBHSA-N 489.414 3.947 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccc(CBr)cc1 2029212713 MGOLQQZGSIKKHO-UHFFFAOYSA-N 465.369 3.790 50 10 JHGE CCC[C@@H](CCBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233705 WNHORBIBWWGBPU-INIZCTEOSA-N 473.433 3.574 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2cccc(Br)c2Br)C1 2092341047 XNVDUINORYHOIL-BDAKNGLRSA-N 455.972 3.836 50 10 JHGE CC1(C)[C@@H](CCl)OCCN1C(=O)c1ccc(Br)cc1I 2207267893 IMMGVCJOADNIPX-GFCCVEGCSA-N 472.548 3.912 50 10 JHGE O=S(=O)(Cc1ccccc1Br)NCCCCCCI 2226105971 SEGJWVUPTZHEEI-UHFFFAOYSA-N 460.175 3.864 50 10 JHGE CO[C@@H]1CN(Cc2cccc(Br)c2Br)[C@@H](CBr)[C@H]1OC 2233354551 PGGZZLLZUUCRSD-OUCADQQQSA-N 472.015 3.821 50 10 JHGE CO[C@H]1[C@@H](CBr)N(C(=O)c2scc(Br)c2Br)C[C@H]1OC 2233356500 UZXLHQZRYSNWKL-MRTMQBJTSA-N 492.027 3.522 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CCO[C@]2(CBr)C1 2239903237 KUSCILAWYCUPRR-IINYFYTJSA-N 467.983 3.838 50 10 JHGE COC(=O)[C@H](CCBr)Oc1cc(Br)cc(I)c1 2301129958 QHIOLQHUHWVXQK-JTQLQIEISA-N 477.918 3.759 50 10 JHGE Cc1c(C(=O)N[C@H](CCBr)COCc2ccccc2)nn(C)c1Br 2303537592 GSUKYPFIHOCVLQ-CQSZACIVSA-N 459.182 3.591 50 10 JHGE Clc1ccc(CN2C[C@@H]3OCC[C@]3(CBr)C2)cc1I 2337221073 KHCMASZYVUVVQV-KBPBESRZSA-N 456.549 3.930 50 10 JHGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(C(=O)c2c(Br)c(Br)nn2C)C1 2338670154 NBPLGPDDMAKBHM-BWZBUEFSSA-N 457.992 3.579 50 10 JHGE Cn1cnc(Br)c1[C@@H](Br)c1cc2c(cc1Br)NC(=O)C2 2362492066 JROUHJCESJHRCI-NSHDSACASA-N 463.955 3.924 50 10 JHGE C[C@]1(CBr)COCCN(C(=O)c2ccc(Cl)cc2I)C1 2365586435 MEZGPUYQTUVXLY-CQSZACIVSA-N 472.548 3.818 50 10 JHGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1 10295270 POYWCSQYNGKHMI-MRXNPFEDSA-N 451.548 3.732 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OC(C)C)cc1 14664722 BMOVRQBSHIPGJY-UHFFFAOYSA-N 490.585 3.984 50 10 JHGE Nc1c(NCc2ccc3c(c2)OCO3)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 40686231 MMBBQHDGQMTAJK-UHFFFAOYSA-N 468.517 3.675 50 10 JHGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1cccnc1Cl 40795617 WROILUSAFJZWMH-UHFFFAOYSA-N 454.705 3.680 50 10 JHGE O=C(OCc1ccccc1)N1CC[C@H](CI)[C@H](I)C1 307529244 LSGAMPIIHLUEBN-CHWSQXEVSA-N 485.103 3.884 50 10 JHGE CC[Si](CC)(CC)O[C@@H]1[C@H](COS(=O)(=O)c2ccc(C)cc2)O[C@H]2OC(C)(C)O[C@H]21 504753113 NEDGRUUEICONSF-YRPNKDGESA-N 458.649 3.967 50 10 JHGE CCOc1ccc(NC(=S)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727484674 RTTAUQKLONHAIY-UHFFFAOYSA-N 455.609 3.929 50 10 JHGE CCOc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)ccc1OCc1ccccc1 1084047205 XYHRCPJONXAQDA-UHFFFAOYSA-N 499.564 3.720 50 10 JHGE C=Cc1ccc(CCNC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)cc1 1681352586 JERPDYWJTCTRQI-AREMUKBSSA-N 454.574 3.830 50 10 JHGE COc1cc(C=NNC(=O)COc2cccc(Br)c2)cc(Br)c1OC 1772754596 ZOFHMHYVYMVHIH-UHFFFAOYSA-N 472.133 3.758 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NC[C@H]1C[C@H](Br)C1 1887784147 MUCNFZGSCJFYSE-CZMCAQCFSA-N 455.972 3.880 50 10 JHGE C[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1914666859 KOHOALUFKKSWAS-QGZVFWFLSA-N 462.999 3.768 50 10 JHGE N#CC(=Cc1ccc(OC(=O)c2ccco2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 2040469764 LVJAICDFZOQTAI-UHFFFAOYSA-N 467.485 3.980 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H](Cl)C(F)(F)C1 2086144648 CETXUWWORWUFBU-VIFPVBQESA-N 450.448 3.752 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)c2cc(Br)ccc2Br)CCO1 2117533372 PEJOKNWIHXDVTL-QPUJVOFHSA-N 455.972 3.836 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@]2(CBr)CCC[C@@H]12 2165253370 XWXQHOKDXHOYGL-XMSQKQJNSA-N 497.455 3.668 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179833761 WMXIHFLKTWVEFV-RBUKOAKNSA-N 453.402 3.850 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CCCC[C@@]2(CCl)C1 2238804435 CFVRBQYFYSACFV-HTAPYJJXSA-N 453.004 3.514 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@H]1[C@H]2CBr 2311865479 AONOWZJTKUCREE-INNHCVQGSA-N 484.957 3.909 50 10 JHGE O=S1(=O)CC[C@H]([C@@H](CCl)Cc2ccc(I)c(Br)c2)C1 2349856469 VUSWVXSBTULWRF-WDEREUQCSA-N 477.589 3.886 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510687 QDXSSCFQACCMSZ-UHFFFAOYSA-N 490.585 3.606 50 10 JHGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510959 BCIZOCSIZGSRGB-UHFFFAOYSA-N 475.570 3.822 50 10 JHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1 14029738 ISRCELFSEFKOAU-UHFFFAOYSA-N 463.987 3.932 50 10 JHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(Br)c1 14032389 JKQNIGDHHXGACL-UHFFFAOYSA-N 480.384 3.586 50 10 JHGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1 14033032 ZLEKXFBPLFDWID-UHFFFAOYSA-N 489.594 3.621 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Oc3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40658917 GQPYLPUIIKTGPN-UHFFFAOYSA-N 460.244 3.705 50 10 JHGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Br)cn1 40779865 WBMPSBHDPVQEOE-UHFFFAOYSA-N 499.156 3.789 50 10 JHGE BrC[C@@H](Cn1cnc(I)c1I)C1CC1 701845481 PQPHXCIXMGGKBM-ZETCQYMHSA-N 480.913 3.513 50 10 JHGE O=C(c1scc(Br)c1Br)N1CCN2C[C@@H](Br)C[C@@H]2C1 705468267 RWRHGEVIIAEZQX-JGVFFNPUSA-N 473.028 3.567 50 10 JHGE Cc1ccc(C(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)cc1I 728022497 CLTLCJNRCTWIQT-UHFFFAOYSA-N 477.224 3.763 50 10 JHGE CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NNC(=O)c2cccc3cccnc23)cc1 728022947 HKDUKXMWDRVDSE-HXUWFJFHSA-N 462.575 3.509 50 10 JHGE CCCOc1ccc(C(=O)NNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1[N+](=O)[O-] 1860396426 NTBXPJMDKWOPQS-UHFFFAOYSA-N 475.498 3.655 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 1866855570 ORQHGGTVFFYJGC-OAQYLSRUSA-N 480.496 3.843 50 10 JHGE CO[C@@H](CCBr)CNC(=O)c1cc(I)ccc1Br 2049496286 SGALURVQDXBVJP-VIFPVBQESA-N 490.961 3.584 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1ccc(Br)cc1Br 2097946827 SXWIESXRYMKZRD-VHSXEESVSA-N 455.972 3.884 50 10 JHGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1ccc(Br)cc1Br 2111279145 GJWHLKAOJDHYFP-PELKAZGASA-N 455.972 3.741 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2121592865 NVQFEJOKBMHTKF-OOZYFLPDSA-N 474.012 3.755 50 10 JHGE C[C@@H](NC(=O)OC(C)(C)C)c1cccc(NS(=O)(=O)N2CCC(Br)CC2)c1 2162602736 PZTVSUZJCDIPFT-CYBMUJFWSA-N 462.410 3.788 50 10 JHGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350760 PJAFYPSIDUNHLA-UHFFFAOYSA-N 470.514 3.988 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Br)cs1 2314941835 CKGVCTUBLFTZMN-UHFFFAOYSA-N 460.028 3.946 50 10 JHGE O=S(=O)(NCCSCCCBr)c1ccc(Cl)c(Br)c1 2335638886 ONQYZKQZRLYKNR-UHFFFAOYSA-N 451.633 3.899 50 10 JHGE CSCC[C@@H](Br)CCNC(=O)c1c(Br)c(Br)nn1C 2338681074 WITGRLONGWLEES-ZETCQYMHSA-N 478.048 3.582 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@]1(CBr)C[C@H]2CC[C@H]1C2 2364197931 QQCDUKSNGRZHRS-PNLZDCPESA-N 497.455 3.716 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)CC)cc2)cc1 8905757 UXPNMBGKAKDEPL-UHFFFAOYSA-N 456.539 3.546 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)c1cc(Br)ccc1O 59152808 BKMWATIMNKOJRC-UFFVCSGVSA-N 458.272 3.629 50 10 JHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/CCC 59261496 IGSODSCNELOPSF-UFFVCSGVSA-N 498.394 3.675 50 10 JHGE N#C/C(C(=O)CN1C(=O)c2ccccc2[C@@H]1O)=C1/NC(c2ccc(Br)cc2)=CS1 102757660 IGVXKXJBIYECFX-UETJRYKRSA-N 468.332 3.535 50 10 JHGE CC[C@H](Nc1ccc(I)cc1C)C(=O)NN=Cc1cccc(OC)c1O 254752354 SZBCUZIWYYBZFC-HNNXBMFYSA-N 467.307 3.655 50 10 JHGE O=C(NNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1ccccc1OCc1ccc(F)cc1 731224394 XKRKLVHLWJTRAW-RUZDIDTESA-N 475.520 3.920 50 10 JHGE COc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3COc4ccccc4C3)c3ccccc3n2)cc1OC 769591530 FXMWHSSLCPZJLE-LJQANCHMSA-N 483.524 3.931 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1084479161 CHIHEVYJCLDYRW-OVCLIPMQSA-N 460.284 3.940 50 10 JHGE CCCn1c(=O)c2ccccc2n2c(SCC(=O)N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)nnc12 1087755630 VIMLSTGHTVLTBE-XWZQYVBSSA-N 466.611 3.865 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)CC[C@H]21 1260505950 XSCZHYWQIIKWRN-NVXWUHKLSA-N 459.406 3.602 50 10 JHGE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)NCCC 1625886286 KQACKDRHTOLWSB-JOCHJYFZSA-N 450.539 3.600 50 10 JHGE Cc1nc2ccccn2c1/C=N/NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 1860772850 JELSQZMGQYOUHH-RPPGKUMJSA-N 456.531 3.540 50 10 JHGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711988 MYDVILUBDHUJJE-NRFANRHFSA-N 479.880 3.791 50 10 JHGE CCOc1cc(I)c(I)cc1C(=O)CCl 2060130657 ORLAYGCPHLYDER-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1cc(Br)cc(Br)c1 2097944846 HGMXQOLXSJZZEP-BXKDBHETSA-N 455.972 3.884 50 10 JHGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)CCC(F)(F)CBr 2123361406 FODFYUACIDJJGC-MRXNPFEDSA-N 453.393 3.721 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CCC[C@@](CCl)(C2)C1 2199674595 HIIACICGZUEYQC-JTSKRJEESA-N 453.004 3.514 50 10 JHGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3[nH]2)C1 2296549755 VACBKVNOWBZPAU-SFHVURJKSA-N 482.544 3.723 50 10 JHGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1OC 2321169152 BCBPABHYFVEXKV-UHFFFAOYSA-N 491.544 3.956 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2323278418 RQNFDZGANKDXDT-QKKBWIMNSA-N 493.692 3.629 50 10 JHGE C[C@@H]1C[C@H](CBr)CCN1C(=O)c1c(Br)c(Br)nn1C 2338687534 ZIQUGPRACYCEPH-HTQZYQBOSA-N 457.992 3.581 50 10 JHGE CC(C)(CBr)CCCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338842175 GKQYWUVVDXRPMA-UHFFFAOYSA-N 487.460 3.964 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@@H]1CCCC[C@H]1Cl 2364213042 DHFIUORXTUNQEW-FXAWDEMLSA-N 455.020 3.950 50 10 JHGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCC)c1 957980 XJEMPQQFSQXSAV-YVLHZVERSA-N 455.463 3.800 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(C)c(I)c2)cc1 13983339 QJESHZNHSRDTSG-ZDUSSCGKSA-N 466.319 3.953 50 10 JHGE CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccccc1 15985985 NGFWSSLLFGYAJC-UHFFFAOYSA-N 469.475 3.525 50 10 JHGE aggregator Cc1nc(CSc2ccccc2C(=O)NNC(=O)c2cc(Br)cn2C)cs1 23701030 GUOYNPKGOZNZHA-UHFFFAOYSA-N 465.398 3.920 50 10 JHGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(O)c(OC)c2)cc1 33920460 IILDCLRWPCQKSU-KPKJPENVSA-N 450.232 3.560 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1cccnc1 58987349 BHBCHJVIFYVDOP-JVWAILMASA-N 473.562 3.869 50 10 JHGE COc1cccc(/C(C)=N\NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 97991715 WSGGKSZKIKJWCP-HAHDFKILSA-N 468.491 3.558 50 10 JHGE CC1(C)C[C@H](N=C=O)C[C@@](C)(CNC(=O)Nc2[nH]nc3c2CCN(C(=O)OC(C)(C)C)C3)C1 170290064 BTSLPASDXGJNKK-NPMXOYFQSA-N 460.579 3.745 50 10 JHGE CCc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2CC)cc1 254506597 TXDLEWRAYDFITF-UHFFFAOYSA-N 453.568 3.787 50 10 JHGE CCOc1cc(C=NNC(N)=O)cc(I)c1OCc1ccccc1Cl 254512139 HLJZLACOZLCXES-UHFFFAOYSA-N 473.698 3.925 50 10 JHGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc1OC 254760315 WSRHRMGFQHYBFF-UHFFFAOYSA-N 490.383 3.504 50 10 JHGE FC(F)(F)Oc1cnc(CCl)c(I)c1I 396168224 RCBMSDVIMRGBKC-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE O=S(=O)(c1c(Cl)cccc1Br)N1CCS[C@H](CCBr)C1 719993239 XTUKTBIHIKSTST-SECBINFHSA-N 463.644 3.994 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)NCc2cccc(Cl)c2)c(-c2ccccc2)n1 761380910 DVHZLXFRYJMMSQ-DEDYPNTBSA-N 473.920 3.884 50 10 JHGE COc1ccccc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1084307919 OKJRDLYSOJQSOI-UHFFFAOYSA-N 485.993 3.732 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(F)c(Br)cc2C)cc1 1660960140 WCFSSKPUASSYHL-GFCCVEGCSA-N 452.280 3.719 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)cc1 1674533770 INPOJNMBDYIBBX-CYBMUJFWSA-N 452.433 3.594 50 10 JHGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709977 LMYCIFZKWQYQNV-HXUWFJFHSA-N 479.880 3.986 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(C)c1 1865852372 UKGAJOKGIQMHCH-FUHWJXTLSA-N 480.634 3.931 50 10 JHGE O=S(=O)(NC[C@H]1C[C@H]1CBr)c1cc(Br)ccc1Br 2053965553 HTDNWVJJXIPDCZ-JGVFFNPUSA-N 462.001 3.521 50 10 JHGE CC1(C)CCC[C@@]1(CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2094152298 WUVCDANAAPFUIL-NRFANRHFSA-N 485.444 3.716 50 10 JHGE O=C(c1csc(I)c1)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2107043605 AYRPXZKMBNPSFH-YUMQZZPRSA-N 468.076 3.998 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CCN(CCCBr)CC1 2113616179 FEDIBVHHHDQDQA-UHFFFAOYSA-N 475.044 3.816 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@@H](CBr)CCC12CCC2 2140840642 FOTCCCAMWJIVMD-MRXNPFEDSA-N 483.428 3.565 50 10 JHGE C[C@H](NC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)N2CCC(Br)CC2)cc1 2162598633 CCYAIUWFAAQMQP-ZDUSSCGKSA-N 462.410 3.788 50 10 JHGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cc(C)ccc1I 2232221775 CTWRDXPAQCHSMJ-LBPRGKRZSA-N 460.175 3.707 50 10 JHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 2313619150 FXLCHWNWQLFDRY-UHFFFAOYSA-N 479.389 3.756 50 10 JHGE COC(=O)c1cccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)c1 2325411995 LYOQWBVNFNAEQW-UHFFFAOYSA-N 461.259 3.844 50 10 JHGE Cc1nc2ccccn2c1C=NNC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 2325904143 JELSQZMGQYOUHH-UHFFFAOYSA-N 456.531 3.540 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2336325144 YSFJUZNFKNBPCD-VGWMRTNUSA-N 456.324 3.854 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361446514 NHHCARWWRIYORS-XPUUQOCRSA-N 457.131 3.990 50 10 JHGE COC[C@@]1(CCl)C=CCN1C(=O)c1ccc(Br)cc1I 2379839487 SMSGPWCHDYTBIM-AWEZNQCLSA-N 470.532 3.690 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2)c(Br)c1 12489367 WHRHUXKJMSFJFE-DHZHZOJOSA-N 476.396 3.687 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 38688602 ICZZIYRVEHJXKC-DQEYMECFSA-N 486.480 3.667 50 10 JHGE Cc1cc(OCC(=O)N/N=C2\C(=O)N(C)c3ccc(Br)cc32)cc(C)c1Cl 40845372 LWSHSEIKNKLNBS-NKFKGCMQSA-N 450.720 3.595 50 10 JHGE CCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 41017969 NOMDLZKSXLWNFR-PUCBXXBFSA-N 476.529 3.869 50 10 JHGE O=C(CBr)c1cc(F)c(I)c(I)c1 307528195 LRIIGRVCARKJMB-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE CN(C)C[C@H](Br)CN(C)C(=O)c1cc(Br)ccc1Br 690330828 DYIJXWTWHBKHAQ-JTQLQIEISA-N 457.004 3.609 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)OCN2C(=O)c3ccccc3C2=O)c(-c2ccc(Cl)cc2)n1 782091079 ACKVPZDDDWCPFB-ATVHPVEESA-N 485.887 3.821 50 10 JHGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1OC 1084042364 PRDKMVGBJPSKBB-UHFFFAOYSA-N 488.573 3.979 50 10 JHGE O=C(NN=Cc1ccc(O)c(I)c1)Nc1ccc(Br)cc1 1084447784 JIDUCQWQGIVBOY-UHFFFAOYSA-N 460.069 3.915 50 10 JHGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cc(C)ccc3C)cc2)cc1 1084464291 IDBDOQKOZHVMIM-UHFFFAOYSA-N 458.518 3.718 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc1 1669168061 ZPVPJRJJYORSNN-LBPRGKRZSA-N 457.380 3.590 50 10 JHGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)c1O 1865695590 DZTPWRQXXWDWSU-LJQANCHMSA-N 467.323 3.935 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCC(=O)c3cccs3)c(C)n2)cc1OC 1865759136 KGCJZHXTQBTFSH-UHFFFAOYSA-N 453.520 3.560 50 10 JHGE CC(C)(C)OC(=O)Nc1cc(NS(=O)(=O)N2CCC(Br)CC2)ccc1F 2106305616 QGVCUCSCHUJIAU-UHFFFAOYSA-N 452.346 3.689 50 10 JHGE O=S(=O)(c1ccc(CBr)s1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2123268251 KYUPSPRFGZASDO-IRXDYDNUSA-N 455.443 3.786 50 10 JHGE O=C(c1cc(I)ccc1O)N1CCC([C@H](F)CBr)CC1 2163246975 TUQQFFFRTCNUJI-GFCCVEGCSA-N 456.093 3.582 50 10 JHGE CN1CCC[C@@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 2214887476 WYEBAZFYXUHHTA-OAHLLOKOSA-N 452.377 3.550 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2ccc(Cl)c(I)c2)C1 2268354490 BZYQJSCQNJDOLB-IKMPQNOCSA-N 476.476 3.813 50 10 JHGE O=C(NN=C1C(=O)Nc2ccc(F)cc21)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 2297289457 PEKSPRJFYUVARJ-UHFFFAOYSA-N 454.461 3.625 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H]2[C@@H]1CBr 2312104001 HHNSEWOFUONTSV-XXFPWJFMSA-N 484.957 3.909 50 10 JHGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313567817 LNEATGIYKPDIIR-UHFFFAOYSA-N 460.284 3.940 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCCC#CCBr)cc1Br 2343612698 JJIZEFKLRQPVAS-UHFFFAOYSA-N 474.012 3.587 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)Cn1ccc2ccccc21 14776288 FBKPOXJUNTXRBJ-LBPRGKRZSA-N 450.720 3.672 50 10 JHGE C=CCc1ccccc1OC[C@@H](O)CNC1(C)CCC(C(C)(C)NC(=O)CBr)CC1 29411832 UAXZWLFRPNDCMX-VIHQBZHPSA-N 481.475 3.983 50 10 JHGE in-vitro COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(OC)c1OC 33959272 KIPCBXOHOCAXLZ-AFUMVMLFSA-N 479.445 3.604 50 10 JHGE Cc1cc[n+]([C@@H]2[C@H](c3ccc(Br)cc3)C(C#N)=C(C(C#N)C#N)N[C@]2(O)C2CC2)cc1 36638783 UXXQGELQYWLOII-JRFVFWCSSA-N 475.370 3.513 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40649186 BMPNXAYNWZTCIP-UHFFFAOYSA-N 474.231 3.556 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)cc2Br)cc1 40993174 KNMHIRZLYFJHNQ-XNTDXEJSSA-N 493.741 3.756 50 10 JHGE N#C/C(C(=O)NCc1ccco1)=C1\N=C(NC(=O)c2cccc(Br)c2)c2ccccc21 102984970 PBIBQLKGINWYNS-FMQUCBEESA-N 475.302 3.783 50 10 JHGE C[C@H]1CO[C@H](CCl)CN1C(=O)c1cc(I)ccc1Br 235600512 WLNQHKDPUAMWKH-WCBMZHEXSA-N 458.521 3.522 50 10 JHGE CC(=NNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 252642684 ZODAKYJCKFRMNF-UHFFFAOYSA-N 482.518 3.694 50 10 JHGE CCC(CC)N(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703964664 KZJCSVOUGUJSTH-UHFFFAOYSA-N 473.433 3.524 50 10 JHGE CC(=NOC(=O)NCSSCNC(=O)ON=C(C)SCCC#N)SCCC#N 725395347 QKSYLUSCGJTGKP-UHFFFAOYSA-N 464.620 3.696 50 10 JHGE O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc2c(c1)OCCO2 727708174 UGKOYHCGJRHGBW-UHFFFAOYSA-N 474.448 3.752 50 10 JHGE O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 728233195 ZLWDTMWNIZSNDH-QFIPXVFZSA-N 477.492 3.749 50 10 JHGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC3CCCC3)cc2OC)c1 834736957 CNXQUXGHUBGNQC-ZDLGFXPLSA-N 450.491 3.897 50 10 JHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Br)c1 1084034989 IVHHCIOBDPMSNJ-UHFFFAOYSA-N 486.391 3.790 50 10 JHGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(O)cc1O 1084209214 SLTPLBNIFDNTDP-UHFFFAOYSA-N 473.558 3.706 50 10 JHGE O=C(CCCNC(=O)c1ccccc1Br)NN=Cc1cc(Br)ccc1O 1554143293 MNUJYPQGZQNXHQ-UHFFFAOYSA-N 483.160 3.578 50 10 JHGE CSCC[C@@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866905442 DGMXBWGMAWNNTP-JOCHJYFZSA-N 484.647 3.515 50 10 JHGE O=C(NC1(C(=O)NC[C@H]2C[C@H]2Br)CC1)OCC1c2ccccc2-c2ccccc21 1890631370 RCOPGBIELRXCQW-JLTOFOAXSA-N 455.352 3.957 50 10 JHGE C=C[C@H](CBr)NC(=O)c1ccc(Br)cc1I 1995286250 QUHSQNWXMWGOMO-MRVPVSSYSA-N 458.919 3.733 50 10 JHGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)C1COC1 2009713031 VMQBDCANDRUAKE-UHFFFAOYSA-N 475.202 3.934 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H](Br)[C@H]2COC[C@@H]21 2040602245 BGHMPSAJKPGNTK-CHKWXVPMSA-N 459.985 3.507 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1cccc(Br)c1Br 2178907302 PIUKFUWVZXJRFV-UWVGGRQHSA-N 469.015 3.751 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179862903 DKTIAJDSVAFLGY-FXAWDEMLSA-N 452.418 3.585 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2179951203 UKMARRRIEMDLRY-MSOLQXFVSA-N 465.404 3.723 50 10 JHGE O=C(N[C@@H](CCl)C[C@H]1CCOC1)c1ccc(Br)cc1I 2207264225 CJSAUFDMTGLBSL-MWLCHTKSSA-N 472.548 3.818 50 10 JHGE CC(C)n1nc(Br)cc1C[C@@H](Br)CN1C(=O)c2ccccc2C1=O 2209407220 SCRPQBDHBFRMHS-LLVKDONJSA-N 455.150 3.829 50 10 JHGE Cc1ccc(C(=O)N[C@H](CI)C(C)C)cc1I 2212989837 BGEJQXABKGLZCE-GFCCVEGCSA-N 457.093 3.789 50 10 JHGE Cc1ccc(I)c(C(=O)NCC2(CBr)CCOCC2)c1 2240925899 RGQQKKDCLSOGMC-UHFFFAOYSA-N 452.130 3.521 50 10 JHGE C=CC[C@@]1(CBr)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2287851615 BSZLBFFGRFZIIG-QFIPXVFZSA-N 497.455 3.836 50 10 JHGE N#CC(=Cc1c[nH]nc1-c1ccc(Br)cc1)C(=O)NCc1ccc2c(c1)OCO2 2295631741 RFPIPIPFYBQSLQ-UHFFFAOYSA-N 451.280 3.791 50 10 JHGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2296815100 XQKFNUCVPLIKBR-UHFFFAOYSA-N 478.961 3.941 50 10 JHGE N#CC(=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1cccc(Br)c1 2297551872 HCTNLLYHAAXXMG-NRFANRHFSA-N 484.350 3.669 50 10 JHGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc(Br)cc1 2313616919 XGICRPVUBBDOES-UHFFFAOYSA-N 484.375 3.716 50 10 JHGE COc1cc(C=CC(=O)NN)cc(I)c1OCc1ccc(Cl)cc1 2314013981 JBUXBJODMGBJGH-UHFFFAOYSA-N 458.683 3.535 50 10 JHGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2318249823 ZQZYZEUVCYZQJN-INIZCTEOSA-N 485.425 3.522 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4ccc([N+](=O)[O-])s4)c(=O)c23)cc1 2325904601 FKLYWVFOEKQQOE-UHFFFAOYSA-N 453.505 3.553 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CCN(CCOCCI)c2ccccc21 2326639770 YLAGOPUBINSKRS-OAHLLOKOSA-N 460.356 3.957 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CC[C@@H](CBr)CC1 2338845644 SIYDQRXFDSARJK-CALCHBBNSA-N 485.444 3.716 50 10 JHGE C[C@@H]1[C@H](Br)CCN(C(=O)c2c(Br)c(Br)nn2C)[C@@H]1C 2344524064 SISDIZRPVQUOKK-XLPZGREQSA-N 457.992 3.579 50 10 JHGE CN1CCC(CBr)(NC(=O)c2scc(Br)c2Br)CC1 2352949185 ZWEPSZCYMZXOFH-UHFFFAOYSA-N 475.044 3.862 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2364029103 MIJIZESPVKFMQX-AYMMMOKOSA-N 470.003 3.723 50 10 JHGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 1775841 SROYMOFWLVVLDR-JXAWBTAJSA-N 476.485 3.537 50 10 JHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 9826183 ZZWCKZRCUSKAET-UHFFFAOYSA-N 477.586 3.570 50 10 JHGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 13619714 NCASOSQAFLWCCC-INIZCTEOSA-N 483.746 3.500 50 10 JHGE C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1cccnc1 61887861 UAADTSZWPSMKCV-UCQKPKSFSA-N 473.352 3.799 50 10 JHGE O=C(OCc1ccccc1)N1CC[C@@H](I)[C@@H](CI)C1 307657413 RNGYEQYHVSYRLO-QWHCGFSZSA-N 485.103 3.884 50 10 JHGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc([N+](=O)[O-])c2O)c([N+](=O)[O-])c1 1081103637 ZPRCTFTZGOARNX-WMZJFQQLSA-N 463.200 3.525 50 10 JHGE CC1=C(C(=O)NN=Cc2ccccc2[N+](=O)[O-])[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084010459 SQPUCTWRUSMJON-QGZVFWFLSA-N 464.334 3.845 50 10 JHGE C#CCn1ccc(CN(CCOC)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3F)c2C)n1 1128569813 FHAMBTXTTQDTET-CJLVFECKSA-N 459.525 3.645 50 10 JHGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 1658319842 BDIWISQCOXNJAR-UHFFFAOYSA-N 453.446 3.532 50 10 JHGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749186 QYOKKGVNKDJCKY-UHFFFAOYSA-N 484.600 3.964 50 10 JHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Cl)cc1)Oc1ccc([N+](=O)[O-])cc1 1858956919 YLSSDIPVNGPSGO-UHFFFAOYSA-N 489.893 3.656 50 10 JHGE CCN1CCC[C@@H]([C@@H](Br)c2ccccc2I)S1(=O)=O 2089534779 HXIZEUILZZAWPO-STQMWFEESA-N 458.159 3.541 50 10 JHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(Cl)cc1CCl 2231005167 XSETXLVUBINVLB-LJQANCHMSA-N 459.326 3.845 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C(CBr)[C@@H]2C1 2277918830 VGUBYCICKLYBHA-STQMWFEESA-N 451.984 3.853 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 2313892313 VLINZBJILKNKQK-UHFFFAOYSA-N 475.570 3.866 50 10 JHGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 2314760701 YDZHVGPOELAACC-VWLOTQADSA-N 494.503 3.970 50 10 JHGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(Br)cc(Br)c1O 2328833303 KUODNCDFXLDRCN-ZDUSSCGKSA-N 493.196 3.917 50 10 JHGE CC1CC(CBr)(CNS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338852612 QDQBGNKMCUMGQH-UHFFFAOYSA-N 485.444 3.574 50 10 JHGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccccc1Br 14031801 XNBPHDVHBHIGNJ-ZDUSSCGKSA-N 472.364 3.705 50 10 JHGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 40969567 ZWZGNZINAHNFII-RQZCQDPDSA-N 482.449 3.863 50 10 JHGE COc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101341422 SRRRVCNDWRRUSK-HYARGMPZSA-N 474.513 3.820 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602942 VPFUCEQJTMHMJW-ZXVVBBHZSA-N 470.485 3.879 50 10 JHGE O=S(=O)(N[C@@H]1CCC[C@@H]1Br)c1cc(Br)ccc1Br 122373200 QXXOPAMCSCAWQV-WCBMZHEXSA-N 462.001 3.806 50 10 JHGE Cc1cc(S(=O)(=O)N[C@@H](CI)C(C)C)sc1Br 232749786 ZYRZSXZBIMTQDY-QMMMGPOBSA-N 452.177 3.557 50 10 JHGE Nc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1O 382732226 VCLBGFBGZDLSRH-JKSUJKDBSA-N 452.292 3.762 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NNC(=O)CCCc2ccccc2)c(-c2ccccc2)n1 727741033 CUFYJQZQOWOFNF-XLNRJJMWSA-N 452.518 3.541 50 10 JHGE Cc1c(C(=O)N=c2cc[nH]cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743847 MAZPQZFDNWXVTG-UHFFFAOYSA-N 467.323 3.890 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c2c1C 1860772229 VOSUPKGHUGXEMR-UHFFFAOYSA-N 492.401 3.574 50 10 JHGE CCc1ccc(-c2ccc(C(=O)NNC(=O)c3sc(-c4cnccn4)nc3C)c(C)n2)cc1 1865758870 WEJFZMSOMFZGBH-UHFFFAOYSA-N 458.547 3.916 50 10 JHGE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)cc2)n1 1866130832 OXTVPYDFDZEICD-LFIBNONCSA-N 498.362 3.894 50 10 JHGE CSCC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866614284 DMWZUDYPHNWMGI-FQEVSTJZSA-N 468.604 3.877 50 10 JHGE CC(C)(CBr)N(Cc1ccccc1)c1ncnc(O)c1I 1915749638 AJXDMIUAGHMHHP-UHFFFAOYSA-N 462.129 3.967 50 10 JHGE O=C(N[C@H]1C[C@H](CBr)C1)c1cc(I)ccc1Br 1942433364 NEAPNNMRZGTGRH-XWEPSHTISA-N 472.946 3.957 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC(OCc2ccccc2)C1 1984649411 MQAQEBSNRNZAKS-UHFFFAOYSA-N 481.231 3.995 50 10 JHGE CC[C@@H](C)[C@H](CI)NC(=O)Cc1ccccc1I 2081239110 OFPUYASZHFLHNU-MFKMUULPSA-N 471.120 3.800 50 10 JHGE N#CC(=Cc1ccccc1)C(=O)NC1=C(c2nc3ccccc3s2)C(=O)CN1C[C@H]1CCCO1 2085243571 OBWQRMPWEOQXTE-LJQANCHMSA-N 470.554 3.752 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCS[C@@H](CCl)C1 2086139707 SAXCBLGTGQIWJV-VIFPVBQESA-N 460.562 3.850 50 10 JHGE O=C(Cc1ccccc1I)N1CCS[C@@H](CCBr)C1 2087571607 FZGKRNCQHVTWRT-LBPRGKRZSA-N 454.171 3.563 50 10 JHGE CN(C)CCN(CCBr)C(=O)c1ccc(Br)cc1Br 2099354980 FTLUSFFURMGGIM-UHFFFAOYSA-N 457.004 3.610 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CCC2(CC1)C[C@H]2CBr 2148909523 JUIRLNHOHSBFPW-NSHDSACASA-N 450.114 3.634 50 10 JHGE C[C@@H](CBr)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 2169359215 XOBLMHAGKXOXMJ-JTQLQIEISA-N 469.015 3.753 50 10 JHGE COc1cc(Br)c(C(=O)N[C@@H](CI)C(C)C)cc1OC 2189050449 PWXDFCSDOZMNOD-NSHDSACASA-N 456.118 3.656 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2200815539 NFGCRGYQSZNTKO-HNAYVOBHSA-N 459.406 3.507 50 10 JHGE ClC[C@@H]1CC[C@H]2CN(c3ncc(I)cc3Br)C[C@@H]2O1 2273665474 RCKQNVGLIAQQID-PEXQALLHSA-N 457.537 3.671 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=O)C=Cc2cccc([N+](=O)[O-])c2)c(Br)c1 2313854822 MHQCUSGKBOQKRK-UHFFFAOYSA-N 462.300 3.720 50 10 JHGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1CCN(Cc2ccccc2)CC1 2325406136 DDNPTWLKCXEITJ-UHFFFAOYSA-N 486.357 3.763 50 10 JHGE CC(C)(CNC(=O)c1ccc(Cl)cc1I)OCCBr 2340054053 ISJHQFOUIFVSHQ-UHFFFAOYSA-N 460.537 3.865 50 10 JHGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 10670188 KJEPJHGTLFVMCD-HNNXBMFYSA-N 463.987 3.849 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)c1 14039487 YFBNOVHZCVNLGW-UHFFFAOYSA-N 475.545 3.941 50 10 JHGE O=C(COc1ccccc1)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669655 GCECWHQQKRUXLL-UHFFFAOYSA-N 469.335 3.911 50 10 JHGE N#C/C(=C/c1cn[nH]c1-c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 35516573 LZMAQXQPVDIJTQ-JYRVWZFOSA-N 462.491 3.570 50 10 JHGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c1OC 38658747 TVXPGLUXPPDXCD-DEOSSOPVSA-N 458.470 3.906 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(c2ccc(F)cc2)CC1 217240362 TZYOOULHBAJNNK-HNENSFHCSA-N 450.514 3.951 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 725398862 OLXPBFGQBNISOY-VXGBXAGGSA-N 477.255 3.889 50 10 JHGE CCN(CC)C(=O)c1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 729168239 ZIUCWJUKZSUPFL-UHFFFAOYSA-N 463.509 3.962 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3)cc2)cc1 920851053 HQVCJKRUSMGWSP-CAPFRKAQSA-N 484.560 3.580 50 10 JHGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)ccc1O 1084032463 WEYMFIBRRPYPHP-UHFFFAOYSA-N 472.133 3.763 50 10 JHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(F)cc1 1084391485 ZBYZBDMAVIYKBM-UHFFFAOYSA-N 473.957 3.863 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc(-c3ccncc3)[nH]n2)cc1 1867161005 KEVKGDWJGOSDRT-JOCHJYFZSA-N 484.541 3.730 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)c2ccccc2)cc1 1867289689 GFBRJPZETQYVBT-LJQANCHMSA-N 490.507 3.857 50 10 JHGE COc1ccc(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1OC(F)F 2040448304 LLJDIKWMGPJBRK-UHFFFAOYSA-N 453.449 3.778 50 10 JHGE O=C(NCCOCCCI)c1cc(Br)ccc1Br 2042203088 HWKJFAWKNXNIGU-UHFFFAOYSA-N 490.961 3.783 50 10 JHGE COc1ccc(Br)cc1C=CC(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 2042449650 DHORIODFHAUUCO-UHFFFAOYSA-N 482.334 3.905 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C(CBr)[C@H]2C1 2086145208 JXWPRAYBKIIHNI-GHMZBOCLSA-N 484.957 3.767 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2cc(Cl)ccc2I)C1 2109025700 WQVNFFYWNNSWLW-SCZZXKLOSA-N 458.521 3.569 50 10 JHGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1cc(Br)ccc1Br 2111281242 ZIFBNRHFGYVRMF-PELKAZGASA-N 455.972 3.741 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(CBr)c2)C1 2179786376 ZTUSHFDRMNJABK-INIZCTEOSA-N 455.393 3.863 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(F)c(CBr)c2F)CCN1Cc1ccccc1 2179860876 YYCWVXJYJJIHLS-AWEZNQCLSA-N 459.356 3.755 50 10 JHGE C=C[C@@]1(CBr)COCCN1C(=O)c1cc(Cl)ccc1I 2199849046 QJYLDZVQSXNWSA-CQSZACIVSA-N 470.532 3.737 50 10 JHGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2283662669 DFMQPWXPIPDVMN-JTQLQIEISA-N 472.548 3.959 50 10 JHGE Cn1ncc(I)c1-n1c(CCl)nc2cc(Br)ccc21 2353548324 PDKMIVHCZLIAPH-UHFFFAOYSA-N 451.493 3.865 50 10 JHGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)c1 14041860 ZTEZIAFFTYGDPU-UHFFFAOYSA-N 477.586 3.639 50 10 JHGE N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)cc(Cl)c1OC(=O)N1CCOCC1 20076902 AJOYAMRYGGVLLF-KRWDZBQOSA-N 464.305 3.639 50 10 JHGE COc1ccc(CCC(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)c(O)c1 59159404 MNDAGNFJXBLYDX-PCLIKHOPSA-N 468.531 3.560 50 10 JHGE O=C(CCN1CCN(Cc2ccc3c(c2)OCO3)CC1)NN=Cc1cccc(Oc2ccccc2)c1 254302090 WEZUMBRUJMJIHT-UHFFFAOYSA-N 486.572 3.866 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CCOC[C@@H]1CCBr 694944979 PUWQIVNBLVBSOL-ZETCQYMHSA-N 462.001 3.899 50 10 JHGE CCn1nnnc1CC(CBr)(CBr)c1ccccc1Br 697898165 MSMUEJYRUVDIGB-UHFFFAOYSA-N 467.003 3.726 50 10 JHGE CO[C@@H]1C[C@H](CCl)N(C(=O)c2ccc(I)c(Br)c2)C1 721620328 OPXQUXYOISISKG-NXEZZACHSA-N 458.521 3.522 50 10 JHGE O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 730768502 ADRNDYQZPRJOCO-RPWUZVMVSA-N 477.586 3.579 50 10 JHGE Cc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1084361176 RGEXSIOQCBOSLO-UHFFFAOYSA-N 464.909 3.755 50 10 JHGE CCOc1ccc(N(CC(=O)NN=Cc2sccc2C)S(=O)(=O)c2ccccc2)cc1 1084541798 GGDGCPRUFYANNN-UHFFFAOYSA-N 457.577 3.801 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)cc1 1202963107 ZDGLQFINHKVVKR-MRXNPFEDSA-N 455.511 3.773 50 10 JHGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748082 XZTVPGPXZNKVPF-UHFFFAOYSA-N 474.517 3.868 50 10 JHGE CN1CC[C@@H]([C@@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2029047102 PVDJSQROEAOASK-QWRGUYRKSA-N 462.001 3.682 50 10 JHGE COC(=O)Cc1cc(I)c(CBr)c(OC(F)(F)F)c1 2055375538 MURAEQLXBYWTFD-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE C[C@@H](Br)[C@H]1CN(C(=O)c2cc(Br)ccc2Br)CCO1 2117533371 PEJOKNWIHXDVTL-PRHODGIISA-N 455.972 3.836 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cc(CBr)cs1)C2 2123228623 DJFJBYCSOPJYGB-IEBWSBKVSA-N 455.443 3.786 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Br)ccc2I)C[C@H]1Cl 2130820310 WRDKNIIJARKUJH-HLUHBDAQSA-N 458.521 3.568 50 10 JHGE O=C(c1cccc(Br)c1Br)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2148755169 XLQPTNLZYIAXQW-UWJYBYFXSA-N 467.983 3.979 50 10 JHGE N=c1nc(CCCl)[nH]c(=Nc2cc(Br)c(Br)c(Br)c2)[nH]1 2151788855 DBKCIDPGANUPKY-UHFFFAOYSA-N 486.393 3.518 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)C2(CCCCC2)C1 2174372229 WBLDBPDSQPRYPN-LJQANCHMSA-N 497.455 3.812 50 10 JHGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(F)ccc1CBr 2179788430 CBVHORPDRFVGRA-KRWDZBQOSA-N 455.393 3.863 50 10 JHGE CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2198079215 GRYIBRPKPXZWLK-BEFAXECRSA-N 459.406 3.649 50 10 JHGE BrC[C@]12CCCO[C@H]1CN(c1ncc(Br)cc1Br)C2 2230617983 JMXGTSINMPYJQM-AAEUAGOBSA-N 454.988 3.987 50 10 JHGE CO[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)[C@H](CBr)[C@H]1OC 2233356836 RBIILCAQQZTQSR-NQMVMOMDSA-N 492.027 3.522 50 10 JHGE CN(Cc1ccc(I)cc1)S(=O)(=O)c1cc(CBr)co1 2280261809 MEQYMKDMMCWCAV-UHFFFAOYSA-N 470.126 3.600 50 10 JHGE CN(C)CCN(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2295308811 AXMBJRWVVFFKGM-UHFFFAOYSA-N 471.031 3.539 50 10 JHGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)N3CCOCC3)c2C)sc2c1CCCC2 2295948618 XDAWHCZGSTWAKE-UHFFFAOYSA-N 467.591 3.977 50 10 JHGE COC(=O)C(C#N)=Cc1cccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 2314760067 DMNDEPJKRNTPNX-XMMPIXPASA-N 480.476 3.579 50 10 JHGE COc1ncc(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)cc1F 2349876611 UMDWRRZNAKFUOA-UHFFFAOYSA-N 480.318 3.951 50 10 JHGE CCOC(=O)c1sc(NC(=O)CCS(=O)(=O)Cc2ccccc2)c(SC#N)c1C 10620666 FGFMYUKQNKMYSN-UHFFFAOYSA-N 452.579 3.750 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(Cl)c2)cc1 14005262 XPOSXTDTAIWZOD-UHFFFAOYSA-N 466.950 3.850 50 10 JHGE O=C(COc1ccccc1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665517 IDFKVKMQJLEQRT-UHFFFAOYSA-N 469.335 3.911 50 10 JHGE CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3cccc(Cl)c3)c3ccccc31)C(C#N)=C(N)O2 39918986 YBZLWUXKILMHEK-AREMUKBSSA-N 472.932 3.749 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)cc(OC)c2O)cc1 58893014 BMBBDEYJIAODLH-MTEVNVADSA-N 451.317 3.526 50 10 JHGE COc1cc(/C=N/NC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])cc1O 58992132 RVKFJDVNXLXNLR-KEBDBYFISA-N 491.507 3.850 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 100066361 RBBKJZFJQLDFFZ-UHFFFAOYSA-N 480.609 3.674 50 10 JHGE COc1ccc(O)c(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 252627894 SDNZCKMPIMUNBK-UHFFFAOYSA-N 459.531 3.891 50 10 JHGE CC(CC(=O)Nc1ccc(F)cc1F)=NNC(=O)c1ccc(I)cc1 254877782 QSTQFKRXCPTQMD-UHFFFAOYSA-N 457.218 3.704 50 10 JHGE COc1cc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@@H]23)cc(OC)c1O 256026833 QXLHBVBPJVIWCW-KGOBVZLMSA-N 477.585 3.716 50 10 JHGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c(OC)c1 263631133 HDEAFMIAOGVSIU-UHFFFAOYSA-N 488.569 3.954 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)c(C)n1-c1ccc(F)cc1 731191545 DPHMHOJRHBHYHM-UNOMPAQXSA-N 491.498 3.523 50 10 JHGE C=CCn1cc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2CC=C)cn1 1083870655 ZNYMMMPRSKQVHU-MRXNPFEDSA-N 485.017 3.743 50 10 JHGE O=C(Cn1c2ccccc2c2ccccc21)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084143336 XIFFRPIJWCNYIU-UHFFFAOYSA-N 457.490 3.690 50 10 JHGE COCCNC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749548 MWVCYRZWEDWUGF-UHFFFAOYSA-N 468.337 3.507 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 1866880285 YSDQLLFBGRNDMS-HYBUGGRVSA-N 484.581 3.979 50 10 JHGE CN1CC[C@@H]([C@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 1941948429 QAOTYXDHYSIEGD-JGVFFNPUSA-N 468.030 3.743 50 10 JHGE F[C@H]1CN(c2ncc(I)cc2Br)C[C@@H]1CBr 1988534878 QAKPNUOUQHJMOL-RCOVLWMOSA-N 463.914 3.618 50 10 JHGE CCN(CC)[C@H](C)CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2007006237 COJSRICRSLLJLK-CRAIPNDOSA-N 454.393 3.938 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2cc(Br)sc2Br)C1 2046669388 NEXKKWPUHBEUNK-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE N#CCc1c(CBr)ccc(I)c1I 2060175207 ZOUIZPDFWAFYMT-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(Br)sc2Br)[C@H]1Br 2078736051 CBHFHWSQNXRFRF-POYBYMJQSA-N 462.001 3.944 50 10 JHGE O=S(=O)(C[C@@H](Cl)c1cc(Br)ccc1I)N1CCCC1 2089393232 HSHIQIFQJPAQPZ-LLVKDONJSA-N 478.577 3.759 50 10 JHGE O=C(NC[C@@H]1CCC2(CCC2)[C@H]1Br)c1cc(I)sn1 2120030680 DNVURONDZULLQL-KWQFWETISA-N 455.159 3.821 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](Br)C(F)(F)C2)cc1Br 2152097355 WDWSEPKMIFJNTQ-SNVBAGLBSA-N 497.981 3.923 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@H](C)CN1C(=O)OC(C)(C)C 2163055641 JUIXHAZVHUEURS-GJZGRUSLSA-N 461.422 3.848 50 10 JHGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Br)cc1 2293038667 SERLIDIGIRUVCX-SFHVURJKSA-N 456.365 3.930 50 10 JHGE COc1cc(Cl)cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 2293358532 BVWXCCIXEYFYOI-UHFFFAOYSA-N 493.903 3.704 50 10 JHGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2318249824 ZQZYZEUVCYZQJN-MRXNPFEDSA-N 485.425 3.522 50 10 JHGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC 2331232322 ISVMQKZNMDWIOC-UHFFFAOYSA-N 496.501 3.967 50 10 JHGE NNC(=O)[C@H]1CC[C@H](CSc2cc(I)ccc2Br)C1 2338333131 OZHIPISKKVFSLP-IUCAKERBSA-N 455.159 3.552 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC2(CC[C@H](CCl)O2)C1 2361866236 DNLZAKGQXRMFTK-SNVBAGLBSA-N 470.532 3.666 50 10 JHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 14037303 HKVDTRFTBNZREE-UHFFFAOYSA-N 470.595 3.655 50 10 JHGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc2c(c1)OCO2 33502134 YBJDNFZBQVXMON-LXWIFAADSA-N 451.523 3.738 50 10 JHGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)c1 40754263 RROKPVDRPXLJAF-UHFFFAOYSA-N 479.324 3.649 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2N)cc1 40793696 AOXNGKUMWUESHG-UHFFFAOYSA-N 453.812 3.635 50 10 JHGE Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813425 LWQPMHSEVFAUQG-WPWMEQJKSA-N 481.896 3.945 50 10 JHGE Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823207 AZLBXVMOJNCCDC-PNQUVVCRSA-N 494.367 3.903 50 10 JHGE O=C(Cn1nnc2ccccc21)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 59181340 MBOJJIZJMUIDIL-ZKDDGRGJSA-N 494.305 3.556 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCC(=O)O 59303760 BQBJMIJMCZKNOE-LSHDLFTRSA-N 461.268 3.821 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)c1cccc(Br)c1 232875392 PYEZMTJXZZKPJF-UHFFFAOYSA-N 464.017 3.666 50 10 JHGE ClCc1nc(-n2cnc(I)c2I)ccc1Cl 309177484 ZFXWGZSHMHWZFT-UHFFFAOYSA-N 479.874 3.869 50 10 JHGE O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 728754541 MXMQKKWCUAGVMN-QHCPKHFHSA-N 490.579 3.913 50 10 JHGE C#CCOc1c(CC=C)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 1083937412 WBNJQWLDBAJALT-QHCPKHFHSA-N 450.535 3.798 50 10 JHGE COc1ccc(C(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC 1083957893 OJLKBTKOXNVHNA-SFHVURJKSA-N 461.518 3.724 50 10 JHGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)CC1 1084290505 AYUMXFXAWYIMCP-UHFFFAOYSA-N 487.604 3.518 50 10 JHGE C/C(=C/C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1C(F)(F)F 1140534713 XQCUWILLXVBLEM-IKESIWSLSA-N 455.477 3.903 50 10 JHGE COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1S(C)(=O)=O 1866893060 YNWUYZHDZDLNNX-JOCHJYFZSA-N 495.582 3.782 50 10 JHGE O=C(N[C@@H](CBr)C1CC1)c1cc(I)ccc1Br 1945361034 IYEBCGAMMARDKD-NSHDSACASA-N 472.946 3.957 50 10 JHGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)oc1Br 2059265001 NYYBYBSHEVZFOK-AWEZNQCLSA-N 492.233 3.832 50 10 JHGE CCOc1ccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1CCl 2145938239 LVYUDQFUHYFFDN-UHFFFAOYSA-N 450.944 3.642 50 10 JHGE Cn1ncc([C@@H](Br)Cc2ccc([N+](=O)[O-])cc2F)c1I 2237447308 ZDXICXVWDCEEDI-JTQLQIEISA-N 454.037 3.751 50 10 JHGE CCn1cc(C(=O)N[C@@H](CCBr)COCc2ccccc2)nc1Br 2303546954 MFEDKTJCFBLRDK-AWEZNQCLSA-N 459.182 3.766 50 10 JHGE Clc1ccc(CN2C[C@@H]3COC[C@@]3(CBr)C2)c(I)c1 2341052918 VORYQJHJZRBLQU-BXUZGUMPSA-N 456.549 3.788 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@@H](CBr)C12CCC2 2379717864 KMQIUKZLVJPWIS-YUMQZZPRSA-N 470.003 3.629 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)cc1Br 12489180 JKGYUNHUNAQAPC-UHFFFAOYSA-N 450.289 3.629 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 12492705 SDVJNBRSFURNQH-UHFFFAOYSA-N 460.372 3.604 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 14002205 YMIFANKAYGFDHJ-JTQLQIEISA-N 460.770 3.679 50 10 JHGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1F 40611767 OCIPIZBSFQNBFH-UHFFFAOYSA-N 450.474 3.740 50 10 JHGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1NC12CC3CC(CC(C3)C1)C2 40755747 FLDHGGICVSYNFT-UHFFFAOYSA-N 457.376 3.959 50 10 JHGE COc1cc(C(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc(OC)c1OC 66201426 UZYAYOGWLMPQPM-UHFFFAOYSA-N 458.555 3.976 50 10 JHGE CCCCOCCOCCOCCO[C@@H](CCl)[C@H](I)CCl 162613998 YCLAVCQKIHHPAZ-KGLIPLIRSA-N 457.176 3.503 50 10 JHGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)CNc2ccccc2C)cc(OC)c1OC 254875264 SPRLMTUJLIXPHO-UHFFFAOYSA-N 477.517 3.802 50 10 JHGE CC(=O)[C@H](Br)Cc1cc(I)cc(I)c1 690361920 BNSOKICYKTUUNG-SNVBAGLBSA-N 478.893 3.791 50 10 JHGE CN(CCC(CBr)(CBr)c1ccc(Br)cc1)S(C)(=O)=O 706395166 RFMXPKIYOPXSGJ-UHFFFAOYSA-N 492.071 3.758 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)NC(=O)CO3)c(-c2ccc(Cl)cc2)n1 818032312 CQRDTSPKFPYNJJ-MHWRWJLKSA-N 472.892 3.994 50 10 JHGE CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)cc2)cc1 934063255 DICLKDOGGPWCPL-NFBKMPQASA-N 473.620 3.540 50 10 JHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)cc1 1084175244 KRYMLOCOVNFNCV-UHFFFAOYSA-N 455.967 3.724 50 10 JHGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1 1457635078 VEQLOZKFTYWTGU-CYBMUJFWSA-N 454.412 3.516 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(Br)cc1 1682357449 ZPGGGPFTNAWBPM-OAHLLOKOSA-N 453.243 3.761 50 10 JHGE CCCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2)c2cc(OC)ccc21 1772720068 AVVVEPMTZLFNNR-UHFFFAOYSA-N 464.566 3.653 50 10 JHGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712087 PEIRQXPKDNDBFC-OAQYLSRUSA-N 459.462 3.722 50 10 JHGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1985349698 DLFRMDPKJWTROK-JKSUJKDBSA-N 465.682 3.507 50 10 JHGE CC(C)(C)OC(=O)N1CCOC2(CCC3(CC[C@H](CI)O3)CC2)C1 1996436780 WFKFBRTUIUERGB-RWBZWWBESA-N 451.345 3.919 50 10 JHGE O=C(c1cc(I)ccc1F)N(CCBr)CC(F)(F)F 2113354913 DEMQUXQGORSAEZ-UHFFFAOYSA-N 453.999 3.830 50 10 JHGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)CCC(F)(F)CBr 2123361405 FODFYUACIDJJGC-INIZCTEOSA-N 453.393 3.721 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2I)C[C@H]1Cl 2142279619 SHWBGMSXCWGKSD-MKPLZMMCSA-N 458.521 3.568 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@]2(CBr)CCC[C@@H]12 2165244554 LBDAZIUSQGQGSX-DENIHFKCSA-N 497.455 3.812 50 10 JHGE O=C(c1cc(I)sn1)N1Cc2ccccc2[C@H](CBr)C1 2176534233 ICUIHVAVZRDKLN-SNVBAGLBSA-N 463.138 3.882 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Br)ccc1OC 2235934629 DAZVDRSYGTWNHM-GXSJLCMTSA-N 476.174 3.586 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268352285 ZJFXAVYATGDCGU-NXEZZACHSA-N 458.521 3.569 50 10 JHGE CCN(CCOCCI)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2306802201 MSEJIQFXEBXVAY-XYPWUTKMSA-N 452.377 3.690 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H]2[C@H]1CBr 2311376891 SJLCOTIPJYVPPH-KBVBSXBZSA-N 484.957 3.909 50 10 JHGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2)cc1OC 2314777553 JTRVIVITUGYWJN-UHFFFAOYSA-N 464.518 3.772 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325904132 HDSXOMCTSIVOED-MRXNPFEDSA-N 451.596 3.579 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@@H]1CCCC[C@@H]1Br 2338691089 OKSOUDWNTZCWPN-JGVFFNPUSA-N 457.992 3.723 50 10 JHGE C[C@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364195481 QNFHLHCWMQQDAU-LNKGRISISA-N 453.004 3.653 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](Cl)C(F)(F)CC1 2364214519 HDXLRZSXLSPVQO-QGZVFWFLSA-N 462.946 3.511 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@]1(CBr)CC12CCC2 2364230720 PXPCKGITWAVHLR-CYBMUJFWSA-N 470.003 3.630 50 10 JHGE CO[C@H]1[C@@H](CBr)N(Cc2cc(I)ccc2Cl)C[C@H]1OC 2380531553 QYBLVXRVVYWYDP-MCIONIFRSA-N 474.564 3.554 50 10 JHGE O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1 3102413 CPOBPJPYJSAOBK-SSDVNMTOSA-N 488.250 3.699 50 10 JHGE CC(C)C1=CC(=O)[C@](C)(Br)[C@@H](Br)/C1=N\S(=O)(=O)c1ccccc1 12561069 DVKJIDDNNDDYAO-QZYSAPAXSA-N 463.191 3.899 50 10 JHGE CCCCN1C(=O)CC[C@@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)[C@@H]1c1ccccc1OC 22698925 VDLWZSJIWQXQNT-NLFFAJNJSA-N 476.577 3.728 50 10 JHGE O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)N2CCOCC2)cc1)c1cccs1 27531032 FXSABHXLVGDOPE-PCLIKHOPSA-N 478.530 3.595 50 10 JHGE COc1cc(-c2cc(CN(C[C@H]3CCCO3)C(=O)CCCCl)no2)cc(OC)c1OC 34922299 DXZHTBFESGVHDC-QGZVFWFLSA-N 452.935 3.894 50 10 JHGE CC1(C)C[C@@H](NC(=O)Nc2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)C[C@@](C)(CN=C=O)C1 170290074 BJMKCJHJJPWMKC-IQMFZBJNSA-N 460.579 3.745 50 10 JHGE O=C(NN=Cc1ccc(O)cc1O)c1ccc(NC(=O)c2ccccc2Br)cc1 252594383 BSILRTWRZOJSAW-UHFFFAOYSA-N 454.280 3.877 50 10 JHGE CCOc1c(I)cc(C=NNC(=O)COc2ccc(Cl)cc2)cc1OC 252621908 NJVWPARKYPMGGC-UHFFFAOYSA-N 488.709 3.881 50 10 JHGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c(OC)c1 254432436 MLZPXGKGGMGIKY-UHFFFAOYSA-N 488.569 3.954 50 10 JHGE O=C(Cl)c1c(I)cnc(OC(F)(F)F)c1I 396147109 CCXKMNJJSBYLJS-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE O=C(COC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)NNC(=O)c1ccccc1 730645868 MGVRPUDIXVEENA-OAQYLSRUSA-N 456.857 3.604 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(F)cc2)CCC3)cc1 1772744957 NKARZSQHUGJCGK-UHFFFAOYSA-N 462.481 3.581 50 10 JHGE COc1cc(C(=O)NNC(=O)CCCSc2ccccc2)c(Br)c(OC)c1OC 1865756317 RKOCMDDUYKSISV-UHFFFAOYSA-N 483.384 3.808 50 10 JHGE BrCc1cn(Cc2ccc(I)c(Br)c2)nn1 1904347896 JBYRULYSDNZOTQ-UHFFFAOYSA-N 456.907 3.588 50 10 JHGE CS(=O)(=O)c1csc([C@@H](Br)c2cc(I)sn2)c1 2007647615 LRSWZJOHAUMXOW-VIFPVBQESA-N 464.169 3.697 50 10 JHGE CCOc1cc(I)cc(I)c1C(=O)CCl 2060133038 RUVXWQQGDFVPOU-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2132365119 NRRQLWSZEBZEBE-GOEBONIOSA-N 459.793 3.676 50 10 JHGE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2204746213 DGIYUXJVCGGXKJ-HNNXBMFYSA-N 461.422 3.895 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCC(CI)CC2)c1 2224034018 AZEBEXJDLHYZLO-UHFFFAOYSA-N 469.104 3.887 50 10 JHGE Clc1ccc(I)c(CN2C[C@H]3OCC[C@@]3(CBr)C2)c1 2278929995 KYXFJFGDTWARAZ-ZIAGYGMSSA-N 456.549 3.930 50 10 JHGE CC[C@@H](Br)CN(CC)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821674 IHEFJTYZEDOYTG-MRXNPFEDSA-N 473.433 3.668 50 10 JHGE CC(C)[C@@H]1C[C@@](C(=O)O)(N(C)C[C@@H]2C[C@@H]2Br)CN1C(=O)OCc1ccccc1 2326065861 BNYJDZKSESDIGN-RYLXDESZSA-N 453.377 3.592 50 10 JHGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(Cl)cc3)sc2c1 2329654449 LCPKFGRXMCZZBI-UHFFFAOYSA-N 458.952 3.960 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC1(CCCBr)CCC1 2338669640 GYVVPADTBGVTSH-UHFFFAOYSA-N 457.992 3.773 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(CCOCCI)C[C@@H]1c1ccccc1 2351585934 NDAJASIAPCOJCN-ZWKOTPCHSA-N 474.383 3.678 50 10 JHGE CC(C)(CI)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 2351664126 OLRPILIHGFNWET-UHFFFAOYSA-N 486.047 3.911 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2364025713 ARZMYQICMMVSBG-XHNCKOQMSA-N 470.003 3.723 50 10 JHGE COc1cc(Br)ccc1OCC(=O)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 3170554 XEJGUGBWEYYUQL-WSDLNYQXSA-N 473.283 3.686 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)cc1 10296021 CAZCSPOKZCJLTO-INIZCTEOSA-N 470.595 3.942 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)cc1 10460451 KJTSQFFYQACXEV-UHFFFAOYSA-N 460.987 3.737 50 10 JHGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)c1 10671960 MCGSGWBTIJJFMK-CQSZACIVSA-N 494.411 3.649 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1C 13978087 QPKSBHZLKOINOJ-UHFFFAOYSA-N 482.762 3.664 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 33570921 RHBXVOBDDBAZEJ-PBEQFFAXSA-N 460.328 3.760 50 10 JHGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccccc1Cl 40658276 VFETXIQTJSVCAO-UHFFFAOYSA-N 496.698 3.859 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1C(C)(C)C 41014484 YRVOVCDEVLAHDP-HMMYKYKNSA-N 478.545 3.743 50 10 JHGE COC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 58889303 IBWKMPHXRQVOTK-CMBCABCVSA-N 483.746 3.618 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cnn(CC)c1 59261799 CNKPPOLEPJHLJA-OWLNGIFZSA-N 473.006 3.577 50 10 JHGE CC(C)[C@@H](C(=O)NNC(=O)c1ccc(Br)s1)n1cnc2cc(F)c(F)cc21 109496145 MVHZMYPKJZJZCY-HNNXBMFYSA-N 457.300 3.797 50 10 JHGE CS(=O)(=O)CCC(CBr)(CBr)c1cccc(Br)c1 118671882 OLBSJRUAUWHXJE-UHFFFAOYSA-N 463.029 3.911 50 10 JHGE CC[C@@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 126881688 GNUGKHMNWBGQDO-MRVPVSSYSA-N 464.017 3.972 50 10 JHGE FC(F)(F)Oc1c(I)cnc(CCl)c1I 396173098 ZVYPBNWKHVUBOL-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 705901267 ONFPWNSNIODUTK-GASCZTMLSA-N 459.793 3.533 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCS[C@@H](CBr)C1 720033841 IJTVARUZBTZLJA-LURJTMIESA-N 455.646 3.665 50 10 JHGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 1084180521 NUIGFNRKKNAKMA-LJQANCHMSA-N 459.340 3.824 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 1564999206 ICMDULFJGRUSRQ-OAHLLOKOSA-N 451.118 3.530 50 10 JHGE CCN(CC)Cc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860774450 XLAMOELZEDOMKF-PZLUAEMBSA-N 465.623 3.890 50 10 JHGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)c1 1865759540 FWEHRHGZBBMREL-NYYWCZLTSA-N 453.445 3.827 50 10 JHGE CSCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867171246 OXEIRLAMPASJEV-GOSISDBHSA-N 480.619 3.979 50 10 JHGE CC(C)(CI)CN1C[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 1904652741 FEKHBARGTQSESK-QWRGUYRKSA-N 450.283 3.835 50 10 JHGE O=S(=O)(Nc1cc(Cl)c(Br)cc1F)N1CCC(Br)CC1 2162203865 HWGVNZOJOWADSZ-UHFFFAOYSA-N 450.555 3.758 50 10 JHGE CCn1cc(S(=O)(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)cc1CBr 2179784926 FXOWQSZCYMBPQF-IAGOWNOFSA-N 454.434 3.686 50 10 JHGE O=S(=O)(Cc1ncsc1Br)N(CCBr)Cc1ccsc1 2234495258 AKMXTKAFSLXJHJ-UHFFFAOYSA-N 460.238 3.694 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NCC[C@H]1COC[C@@H]1Br 2295311626 MZWCLENJCJZESA-GWCFXTLKSA-N 469.999 3.670 50 10 JHGE C[C@@H](Br)[C@@H]1C[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br 2310398318 WHOTYKBRDSZUFP-KDILMLJESA-N 462.001 3.662 50 10 JHGE C[C@@H](Br)C(C)(C)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316816447 AHAMVPOMDRNILE-OAHLLOKOSA-N 473.433 3.572 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCS[C@@H](CBr)C1 2317769473 VNCUJMITXIISCO-VIFPVBQESA-N 460.562 3.897 50 10 JHGE N#CC(=CNc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1Sc1ccccc1 2325336117 AKANMQPTBUYWHZ-UHFFFAOYSA-N 450.545 3.943 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC(Br)CC2)[C@@H]1C(F)(F)F 2370161805 OEBSVOBNCQFIPU-QWHCGFSZSA-N 458.319 3.886 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(C)c2O)cc1OC 2935157 VCYLPJIWHYHYBT-XIWWWBPQSA-N 459.502 3.639 50 10 JHGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)cc1 40826489 XXLVLOZFTOQITH-OVVQPSECSA-N 461.474 3.803 50 10 JHGE C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59878129 USBOZEDNADNDLI-HNNXBMFYSA-N 485.013 3.961 50 10 JHGE C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59878207 KYWPUAGQKWWCGX-OAHLLOKOSA-N 485.997 3.928 50 10 JHGE O=C(NN=Cc1c2ccccc2cc2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCOCC1 254480382 MEPITTUFZLKQHT-UHFFFAOYSA-N 480.524 3.554 50 10 JHGE CCc1cccc2c1OCC[C@@H]2NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 725758350 FYXAHXMBFMXTND-ZTTNJJDWSA-N 499.571 3.543 50 10 JHGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 727295219 LEUCKSJEPITJFJ-UHFFFAOYSA-N 466.626 3.704 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c(-c2ccccc2)n1 914503860 FGUNIJCZYTXHOC-XLNRJJMWSA-N 496.546 3.931 50 10 JHGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 1084115068 BMPDSBJVXWLXCL-UHFFFAOYSA-N 494.935 3.763 50 10 JHGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1 1084600732 MWQMZJCKJJBSCE-UHFFFAOYSA-N 482.606 3.718 50 10 JHGE CN(c1ccc(Cl)c(NC(=O)NN(C(=O)c2ccccc2)C(C)(C)C)c1)S(C)(=O)=O 1088717620 HLCWUHIKDRBHQN-UHFFFAOYSA-N 452.964 3.713 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744009 PFXXGOXZXIKNEM-UHFFFAOYSA-N 453.930 3.728 50 10 JHGE Cc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860770450 IRJLQABLYOXSLJ-FMIVXFBMSA-N 458.543 3.603 50 10 JHGE O=C(NC[C@H](NC(=O)[C@@H](Br)C1CCCC1)C(F)(F)F)OCc1ccccc1 2001993606 QNCAANGMTNHPLQ-GJZGRUSLSA-N 451.283 3.914 50 10 JHGE Cc1nc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(Br)s1 2010829044 PHQOJJNQZGXQGP-UHFFFAOYSA-N 456.453 3.850 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2cc(Cl)ccc2I)C1 2109025701 WQVNFFYWNNSWLW-WCBMZHEXSA-N 458.521 3.569 50 10 JHGE CCOC1(CCl)CN(C(=O)c2ccc(I)c(Br)c2)C1 2116389270 VDTSJAPMPKWXJW-UHFFFAOYSA-N 458.521 3.524 50 10 JHGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(CCBr)s2)C1 2123241884 PIFNAQYOEIILGJ-KRWDZBQOSA-N 457.459 3.971 50 10 JHGE Cn1cc([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)c(Br)n1 2173185147 ZLORYBKDNYFYHE-GFCCVEGCSA-N 463.955 3.924 50 10 JHGE CC(C)[S@@](=O)(=NC(=O)N1CCC(Br)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2183216424 OVDHVOJZVSYMRO-RXAIFQJESA-N 466.442 3.852 50 10 JHGE Cc1cc(C(=O)N2CCC(OCCBr)CC2)ccc1I 2207108462 XCMSLXZMQSOOQB-UHFFFAOYSA-N 452.130 3.616 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCCOCCOc2ccccc2)C1 2278386859 KPWNOQHEWVMCQJ-IAGOWNOFSA-N 477.339 3.522 50 10 JHGE CN1C(=C(C#N)C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)Nc2ccccc21 2297476691 NXQLTZCMZVREQY-UHFFFAOYSA-N 470.554 3.913 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCCC[C@@H]1CCCl 2364215989 XTIKKXQKYJXTFN-XLIONFOSSA-N 455.020 3.950 50 10 JHGE CCCCCCCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 100313505 GUJQIWGEUGVBJS-QFIPXVFZSA-N 451.567 3.846 50 10 JHGE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)n1 1442961129 AXPAHHQAOQANIS-GSDQYQHOSA-N 454.419 3.692 50 10 JHGE CCc1ccc(OCCCC(=O)NN=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)c(Br)c1 1772755353 CDMWQJYKSVCZNW-UHFFFAOYSA-N 480.315 3.943 50 10 JHGE O=C(N[C@@H]1C[C@H]1CBr)c1cc(I)ccc1Br 1894168698 TVJCCRLJWBYEGZ-QUBYGPBYSA-N 458.919 3.567 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(Cl)ccc2I)[C@H]1Br 1911026388 MRBDGTFOAROJRC-GHMZBOCLSA-N 458.521 3.615 50 10 JHGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Br)cnn1C 1915086123 DKVBJISRUCSWPE-CYBMUJFWSA-N 465.211 3.547 50 10 JHGE CC[C@H](C)[C@H](CI)NC(=O)c1sccc1I 1993391819 ZURBMJLUJKVXTQ-CBAPKCEASA-N 463.122 3.932 50 10 JHGE CC[C@](C)(CCl)S(=O)(=O)c1ncc(I)cc1Br 2015768067 WDSPYCQMEIPSKE-SNVBAGLBSA-N 452.539 3.630 50 10 JHGE BrC[C@@H]1C[C@H]2OCC[C@@H]2N1c1ncc(I)cc1Br 2069532216 SKBKCUIJSTVLRW-INTQDDNPSA-N 487.961 3.580 50 10 JHGE Oc1ncc(F)cc1-n1nc(CBr)c(I)c1C(F)(F)F 2078933707 VKHPHIYNXMZTHB-UHFFFAOYSA-N 465.970 3.630 50 10 JHGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)n(C)c1 2179809766 XXTOPTKCJDNUTB-UHFFFAOYSA-N 454.434 3.595 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179825930 MZKWOSHQKTUJPW-XSDIEEQYSA-N 455.462 3.724 50 10 JHGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1occc1CBr 2179826433 RXLAFRYLBQXBFJ-BWTSREIZSA-N 453.402 3.991 50 10 JHGE C[C@@H](CO[C@@H](CI)c1ccc(Br)cc1)N1CCOCC1 2186733697 QEHANFWPOWANQL-WFASDCNBSA-N 454.146 3.663 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@@H](CBr)c2cscn2)c1 2232168081 XIOSXUWDPRGHOI-NSHDSACASA-N 451.127 3.922 50 10 JHGE Clc1cc(CN2C[C@H]3OCC[C@]3(CBr)C2)ccc1I 2278853115 CYVSFBTXHGTVLT-KGLIPLIRSA-N 456.549 3.930 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2322022742 SOFOUAQYNUOHSI-QVKFZJNVSA-N 493.692 3.630 50 10 JHGE Cn1c(=O)n(C)c2cc([C@@H](Br)[C@@H]3C[C@H]3Br)c(Br)cc21 2332464793 WSZRMLKXGFTYEU-GFJAWQGPSA-N 452.972 3.859 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Br)c(O)c1 2361678756 DMZSEPWGNJYEPO-UHFFFAOYSA-N 469.998 3.590 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1CC2(CC(Cl)C2)C1 2364201428 GJKJCJVGCCXFRU-UHFFFAOYSA-N 453.004 3.560 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)C1(C(=O)O)CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 2378154735 MITIXJPSKVCROP-IUOZQUQDSA-N 459.303 3.535 50 10 JHGE O=C(N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cncc(Br)c1 3186402 VMXNVRPAELRCCO-AUEPDCJTSA-N 469.251 3.735 50 10 JHGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1 10672015 ZFNSEYFSRNNQOY-MRXNPFEDSA-N 470.595 3.798 50 10 JHGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)NCCc1ccccc1 33712184 BMCZYJBBDJUOLR-JZJYNLBNSA-N 466.497 3.761 50 10 JHGE C=CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2 39919094 YWRZGCYMZNNBLG-HHHXNRCGSA-N 484.943 3.915 50 10 JHGE NNC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1 98031716 NKHIGSKCNYTZPK-CQSZACIVSA-N 480.393 3.897 50 10 JHGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1C 212665672 GZDVKIAUPIQOJT-OOROLWMESA-N 466.607 3.567 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2cc(Cl)ccc2I)C1 311500268 FCGHJRNMXVTJQD-UWVGGRQHSA-N 458.521 3.569 50 10 JHGE C[C@@H](Cl)Cc1cn(-c2cc(I)cc(I)c2)nn1 709277542 TXMZBUXCZAVIPA-SSDOTTSWSA-N 473.483 3.646 50 10 JHGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)CCc2ccco2)ccc1Cl 748267745 AILIDCKXNKAWMV-UHFFFAOYSA-N 487.965 3.708 50 10 JHGE O=C(NNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1)c1ccc(Cl)cc1 789948676 VWGMRYBWFKVPHL-UHFFFAOYSA-N 485.787 3.650 50 10 JHGE COc1cccc(C=NNC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 1083929464 ZFCPMUSKEDNGRZ-UHFFFAOYSA-N 463.490 3.737 50 10 JHGE C/C(=C/C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 1126316913 WWQGPQWZHQQGPI-YPKPFQOOSA-N 455.477 3.903 50 10 JHGE C/C(=C\C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1ccccc1OC(F)F 1167048256 KWODPDJRMDFFFQ-CCEZHUSRSA-N 455.502 3.924 50 10 JHGE CC(=O)N(c1ccc(NC(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)cc1)C1CC1 1468490971 STNAOPGGRGZVJF-UHFFFAOYSA-N 457.534 3.811 50 10 JHGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNc2ccc(F)cc2Br)cc1 1475975060 ZWNMYVNIGGCXPP-UHFFFAOYSA-N 457.325 3.543 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ncc(Cc3ccccc3F)s2)cc1 1669691275 CYBWYNUJLVAEGF-CQSZACIVSA-N 456.499 3.696 50 10 JHGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)CC1 1772747537 IZBLHPYIGBYKDS-UHFFFAOYSA-N 458.562 3.989 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)c2c1-c1ccccc1 1860769949 MTLNFXXHPUJQQV-UHFFFAOYSA-N 476.602 3.797 50 10 JHGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Nc4ccccc4)cc3)C2)C1 1872961605 MFXRMQVBZZGWAO-RTWAWAEBSA-N 498.587 3.560 50 10 JHGE CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCOCCI 1904643859 ZKMIVIZADWEQMH-RTBURBONSA-N 474.383 3.950 50 10 JHGE O=C(CCl)c1c(I)ccc(I)c1OC(F)F 2060186108 GUWRUXPWNMINCQ-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CC(n3cccn3)C2)C1 2063773130 CONKYJLNLFTMQA-JMLCCBQJSA-N 461.344 3.808 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)n(C3CC3)c2)CCN1Cc1ccccc1 2179862445 WNFYJWGLOCCCTN-MRXNPFEDSA-N 452.418 3.613 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](CBr)OCC12CC2 2183974546 OEBPDMDDXZJUIM-SNVBAGLBSA-N 470.532 3.713 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@@]1(C)CCN(C)C1)C(=O)OC(C)(C)C 2253331007 JSHDASUDFREVTP-ZWKOTPCHSA-N 454.393 3.796 50 10 JHGE O=C(O)C[C@H](Br)C(=O)c1c(F)cc(Br)c(F)c1Br 2259977289 VQWLWYXJSQYFEF-BYPYZUCNSA-N 450.855 3.911 50 10 JHGE O=S(=O)(Cc1ccsc1Br)NCC1(CBr)CC(F)(F)C1 2281651821 VTFQNFIVXXWMIT-UHFFFAOYSA-N 453.168 3.740 50 10 JHGE CN1CC(C)(C)[C@@H]1COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2298953087 OOHJBBAKNBDUIC-AWEZNQCLSA-N 452.377 3.548 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)C=Cc1ccccc1Cl 2313621491 XSJNQRYZGYLIQT-UHFFFAOYSA-N 482.787 3.525 50 10 JHGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cccc(Br)c2)c(OC)c1 2314737495 PDRJCGQDNKATSL-UHFFFAOYSA-N 473.323 3.875 50 10 JHGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNCCc2cccc(Br)c2)cc1OC 2325051780 CYJNKSIDLKQWNH-OAHLLOKOSA-N 458.356 3.883 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N(CCBr)C1CCCC1 2338690668 JZCAIOCWSKSLMC-UHFFFAOYSA-N 457.992 3.725 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@@](F)(C(F)F)C1 2362833596 BVEYVMKXRWCNBN-JTQLQIEISA-N 457.131 3.773 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10331383 MEUMQVAHHHPKMR-UHFFFAOYSA-N 475.545 3.887 50 10 JHGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 10471908 LZGPHHCBABZVIR-MRXNPFEDSA-N 451.548 3.730 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)c(Br)c1 14035373 MXKAGSDPOZKXPV-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 96767553 AEZVJVWHDQQBPS-GDNBJRDFSA-N 450.480 3.819 50 10 JHGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])CC[C@@]3(C)C1(C)C 100945747 OMRBYKIPBFTPRT-CLJLJLNGSA-N 473.533 3.945 50 10 JHGE C/C(=N\OCC(=O)NN/C=C1\C(=O)C(Br)=Cc2oc3c(c21)CCCC3)c1ccccc1 135997886 ZFYLFELKMPPWGL-WCCQRLGTSA-N 484.350 3.879 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1cc(Br)cc(Br)c1 235312613 BWGNVCUUMBXXQR-PELKAZGASA-N 455.972 3.836 50 10 JHGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2ccc(O)nc2=O)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C 253528226 PQKBGNWYYCABFW-OLMNPRSZSA-N 470.715 3.828 50 10 JHGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1O 254391859 AMAOQXVLJPGSMP-MSTGDDNBSA-N 472.545 3.778 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)[C@@H](C)Br)cc1Br 387001866 MECCKILXGBWFJU-HTQZYQBOSA-N 464.017 3.970 50 10 JHGE Cn1ncc([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)c1Br 393693772 KVJIAGJFQSDXBP-LBPRGKRZSA-N 463.955 3.924 50 10 JHGE CC(C)N(CCOCCBr)C(=O)c1cccc(F)c1I 721673125 QYRCUHIZPVVQQU-UHFFFAOYSA-N 458.109 3.692 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=C(C)c1ccc(OC)c(OC)c1 1083933990 IWAGSDOVSAWJFG-UHFFFAOYSA-N 479.606 3.899 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3)n2N)cc1 1084221707 ZSRLXYUCPGNCGR-UHFFFAOYSA-N 451.600 3.528 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 1644837864 DAOLYOHCJYZINI-UHFFFAOYSA-N 451.983 3.817 50 10 JHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccncc1)CCC2 1772745775 KQOFIDWQXOVFQE-UHFFFAOYSA-N 460.490 3.517 50 10 JHGE CCOC(=O)Cc1cc(I)c(CBr)nc1OC(F)(F)F 1848387686 OBUCMXWIAFXVCF-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858666501 CHMNVRYOEXIEOH-UHFFFAOYSA-N 496.570 3.709 50 10 JHGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771188 MLNVXXXJBZHRCW-VNAXKEFJSA-N 494.617 3.793 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@H]2C[C@H]2Br)cc1Br 1887909215 ZTSSWBZILBHOBI-PSASIEDQSA-N 476.028 3.924 50 10 JHGE C[C@@H]([C@H](Br)c1csc(Br)c1Br)S(=O)(=O)N(C)C 1945186520 IXJDHGQRVQHXBM-FSPLSTOPSA-N 470.046 3.989 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(Br)s1 2023039656 RHCGJQOZZNFXQJ-HTQZYQBOSA-N 452.177 3.639 50 10 JHGE CCCN1CC[C@H]([C@@H](Br)c2csc(I)c2)S1(=O)=O 2029065723 JPEYZDDDTFBOPO-KOLCDFICSA-N 464.188 3.603 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186716769 WVAUNLPINSBIMC-OAHLLOKOSA-N 467.307 3.612 50 10 JHGE Cc1ccc(C(=O)N2CCSC[C@@H]2CCBr)cc1I 2224629143 PIVGNFOSOZSVCX-LBPRGKRZSA-N 454.171 3.942 50 10 JHGE COc1cc(C)c([C@@H](Br)c2cnn(C)c2I)c(OC)c1 2287196578 UNJPYFCKVGVSAA-ZDUSSCGKSA-N 451.102 3.835 50 10 JHGE COC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(OC)c1 2314736318 FFOUYIQEFRQMMY-UHFFFAOYSA-N 482.448 3.795 50 10 JHGE Clc1ccc(CN[C@H]2CCCN(CCBr)C2)cc1I 2337223452 MNHINIGPDZVNHL-LBPRGKRZSA-N 457.581 3.894 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H]1N2S(=O)(=O)c1ccc(CBr)cc1 2355418368 VCPSZJWWHGWSKY-HLLBOEOZSA-N 459.406 3.648 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](NS(=O)(=O)c3ccc(CBr)cc3)C[C@H]12 2358003586 MLEIPQUSPRGJLW-OTRWWLKZSA-N 459.406 3.552 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370251163 NTLLYJHMRLNEJF-APPZFPTMSA-N 457.131 3.990 50 10 JHGE Cn1cc(C(=O)NNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 10736913 OOEFMDKRHFHQDX-UHFFFAOYSA-N 494.511 3.943 50 10 JHGE CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2cccc(OC)c2)ccc1OC 20438265 QQQZJYUVUFQYCA-MHECFPHRSA-N 452.532 3.746 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 206399044 BWKPLKXLOYIPBC-STZFKDTASA-N 472.497 3.912 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 207213088 SSZRNMYFJNDQAJ-STZFKDTASA-N 478.545 3.877 50 10 JHGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1ccccc1C 256028463 NYDFRGZCAMUAOT-UHFFFAOYSA-N 457.581 3.649 50 10 JHGE O=C(C[C@H](c1ccccc1)N1CCOC1=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 728233192 ZLWDTMWNIZSNDH-JOCHJYFZSA-N 477.492 3.749 50 10 JHGE O=C(NNC(=O)c1cccc2cccnc12)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 730539273 ATJMUDDGDVBZFE-UHFFFAOYSA-N 460.803 3.563 50 10 JHGE CCCCCCCCCCN1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960407 CWVGPRDQECBOJZ-FCHUYYIVSA-N 471.646 3.753 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1cc(Br)ccc1I 1910142449 SSNIXMMDXITZST-XVKPBYJWSA-N 472.946 3.909 50 10 JHGE COC[C@](C)(CBr)CNC(=O)c1c(Br)cccc1Br 1926991991 GSPJGJADBPERME-CYBMUJFWSA-N 457.988 3.989 50 10 JHGE CN1CC[C@@H]([C@H](Br)c2cc(Br)sc2Br)S1(=O)=O 1941946408 KIBGFJPUDHMFGH-POYBYMJQSA-N 468.030 3.743 50 10 JHGE CCCN1CC[C@@H]([C@@H](Br)c2sccc2I)S1(=O)=O 2029064302 HDDYSERRDZQVIP-VHSXEESVSA-N 464.188 3.603 50 10 JHGE COC[C@@](C)(CCBr)NS(=O)(=O)c1cc(Cl)c(Br)s1 2101795353 HNNXJVKNLQLOBA-SNVBAGLBSA-N 455.621 3.632 50 10 JHGE C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2172463146 IUDDZYIDGCIXQS-GDBMZVCRSA-N 461.422 3.895 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)c1cc(Cl)c(F)cc1F 2177548577 KKMGQATTZZBWJV-UHFFFAOYSA-N 455.546 3.835 50 10 JHGE Cc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2269546906 PDECQTAAVHTTSQ-SANMLTNESA-N 486.377 3.567 50 10 JHGE CC1(C)OCCN(C(=O)c2ccc(Cl)c(I)c2)[C@H]1CBr 2283664041 HPIKHCVOKIEAAP-LBPRGKRZSA-N 472.548 3.959 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)c1 2313616880 JAADPIFHWKYDDN-UHFFFAOYSA-N 474.586 3.911 50 10 JHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4ccc(Br)cc4F)c(=O)c23)C1 2325904416 NQDGAEUTGQBWQN-LLVKDONJSA-N 477.359 3.635 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)CCO1 2340051577 FFZRFDRRGCPLBQ-UFBFGSQYSA-N 458.521 3.569 50 10 JHGE O=S(=O)(c1cscc1Br)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361447902 DHZZOHLKPWEORM-HZGVNTEJSA-N 457.131 3.990 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCC[C@@]2(CCl)C1 2364214646 OPGXXZWOEXLKQQ-HTAPYJJXSA-N 453.004 3.514 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2365584708 RYJHLNGFPYFLKL-OXHMUOHRSA-N 470.532 3.712 50 10 JHGE C[C@@]1(CBr)COCCN(C(=O)c2ccc(Cl)cc2I)C1 2365586434 MEZGPUYQTUVXLY-AWEZNQCLSA-N 472.548 3.818 50 10 JHGE Oc1ncnc(N2CC[C@H](C3CCC(Br)CC3)C2)c1I 2381256021 LSMQLBQLTCAOIB-YVNMAJEFSA-N 452.134 3.567 50 10 JHGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1Cl 33558722 IQYUMYKDTONWKB-QBHDBVHESA-N 467.978 3.934 50 10 JHGE N#C/C(=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CCS(=O)(=O)C1 35447053 JBEYILJEBXCFHZ-UAFVLGHWSA-N 490.629 3.550 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 38683707 HMDFMHPVRKSEHA-VWLOTQADSA-N 470.481 3.848 50 10 JHGE CCOC(=O)c1sc2ncnc(NNC(=O)c3ccc(I)cc3)c2c1C 96470496 JYUGKRNJAPOFRH-UHFFFAOYSA-N 482.303 3.538 50 10 JHGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)c2C)cc1 110231031 BFNCULMWGQHWPB-BHJKQYKASA-N 474.536 3.609 50 10 JHGE CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)NN=Cc1ccco1 254605571 GJDPPUXMDDWGFX-QFIPXVFZSA-N 490.520 3.700 50 10 JHGE C[C@@H](Cl)c1nc(N)nc(Nc2cc(I)ccc2Br)n1 311812833 PATPHNYIAZSVNZ-RXMQYKEDSA-N 454.497 3.864 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 746182294 KFVOYRCNIFSONE-UHFFFAOYSA-N 472.519 3.532 50 10 JHGE CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OC 1084193948 PTATUBPBWFJHPE-QGZVFWFLSA-N 482.318 3.662 50 10 JHGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1084442029 GFXWNPMJSZNYAG-UHFFFAOYSA-N 474.517 3.500 50 10 JHGE COc1ccccc1[C@H](CNC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)N(C)C 1087615070 ZRQAETNBQFCVNL-DDNDDMKBSA-N 450.583 3.619 50 10 JHGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3F)c(C)c21 1772743475 CFVDYZCEDCDLTM-UHFFFAOYSA-N 462.481 3.581 50 10 JHGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCOCC5)c(C)c43)coc2c1C 1772751416 BFULQRJECQBDFR-UHFFFAOYSA-N 463.534 3.823 50 10 JHGE CCOC(=O)c1ccccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858683703 AAJJMXJMLDHFCX-UHFFFAOYSA-N 498.423 3.934 50 10 JHGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691936 FJYZZKUFALGACC-NRFANRHFSA-N 464.497 3.877 50 10 JHGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 1865759551 GLMZBYLTRXPFHS-CYBMUJFWSA-N 497.338 3.810 50 10 JHGE C[C@H](Br)[C@H](NC(=O)Cc1ccccc1I)C(F)(F)F 1882674171 LBIDRLAKDMRUNJ-CPCISQLKSA-N 450.036 3.664 50 10 JHGE O=S(=O)(CCC(CCl)CCl)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 1998030183 NRVJWTAEZFLHNA-UHFFFAOYSA-N 485.477 3.861 50 10 JHGE CN(C[C@H]1C[C@H]1Br)C(=O)c1ccc(Br)cc1I 2026220924 IHTUPJOOKUDJLB-GMSGAONNSA-N 472.946 3.909 50 10 JHGE O=C(CBr)c1ccc([N+](=O)[O-])c(OC(F)(F)F)c1I 2055112562 QIFIMSJWRCDTQL-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE O=S(=O)(Nc1ccc(Br)c(Br)c1)N1CCC(Br)CC1 2129384198 JELHQGKGOXDVJC-UHFFFAOYSA-N 477.016 3.728 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2154107454 ZXZYFCTYDAPBCY-GMXVVIOVSA-N 450.114 3.917 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)[C@H]1CC[C@@H](CBr)C1)C2 2179830914 QHBZAUXPVOEVQR-PLACYPQZSA-N 455.462 3.724 50 10 JHGE C=C[C@]1(CBr)COCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2199882370 RMUZNQQBERUNOC-NSHDSACASA-N 465.616 3.505 50 10 JHGE COc1ccc(Br)cc1S(=O)(=O)N(C)C[C@@H](Cl)COCc1ccccc1 2227661565 DKBNWYBFUXHHRH-MRXNPFEDSA-N 462.793 3.902 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@@H]2CCCC[C@@]2(CBr)C1 2230586428 IDVPGAZZRRPHJI-TVQRCGJNSA-N 455.159 3.775 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2C[C@H](Cl)CC[C@@H]21 2364215231 JCWGCRDNQBAKOG-HLIPFELVSA-N 453.004 3.655 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658145 BKSABCHOUIOPNT-UHFFFAOYSA-N 479.331 3.692 50 10 JHGE O=C(Cn1c2ccccc2c2ccccc21)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 59462322 SOTHOHJBWUXMLO-WGOQTCKBSA-N 457.490 3.690 50 10 JHGE O=C(CCl)Cc1nc2ccc(I)cc2c(=O)n1-c1c[nH]c2ccccc12 90495865 BMDILINVATXAGV-UHFFFAOYSA-N 477.689 3.822 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C)[C@@H](Br)C2)cc1Br 387606412 XFPUVZAHGLLHAS-KWQFWETISA-N 476.028 3.924 50 10 JHGE C[C@H](Br)C[C@H]1CCCCCN1C(=O)c1cnn(C)c1I 393692992 HXVQOXVCEAJRCM-WDEREUQCSA-N 454.150 3.583 50 10 JHGE COc1ccccc1OCC(=O)NNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 730512581 NJYHNPWMOZAYEV-JOCHJYFZSA-N 458.873 3.834 50 10 JHGE C[C@H]1CN(CCCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C[C@@H](C)O1 920439056 BPDBIZUJXBTDTQ-MQBJAROCSA-N 481.000 3.640 50 10 JHGE CC(=NNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 1084120478 SCUDLVMSOHHADS-UHFFFAOYSA-N 486.937 3.984 50 10 JHGE COc1ccccc1N(CC(=O)NN=C(C)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 1084332298 SZNCYDRIJROWPR-UHFFFAOYSA-N 451.548 3.739 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 1558199675 KSEMKBDSPZOSOV-UHFFFAOYSA-N 456.453 3.852 50 10 JHGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711915 LIGNVFAZYQQRCA-QFIPXVFZSA-N 464.497 3.877 50 10 JHGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1 1866665446 PIJJPFOTGNXNEG-LJQANCHMSA-N 470.938 3.535 50 10 JHGE CN(CC1(Br)CC1)S(=O)(=O)c1ccc(Br)c(CBr)c1 1887894319 ZUCCHWCUCFEAER-UHFFFAOYSA-N 476.028 3.892 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CCN(Cc2ccccc2)CC1 2009622627 SQQIZJFFISYGQB-UHFFFAOYSA-N 494.274 3.912 50 10 JHGE C[C@@H](Br)[C@H]1CN(C(=O)c2cc(Br)sc2Br)CCO1 2053850407 OHVKGIMXACBHQR-HTRCEHHLSA-N 462.001 3.898 50 10 JHGE O=C(CCl)c1cc(I)c(OC(F)F)cc1I 2060177294 XCCROKGZEFRPJF-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C(CBr)[C@@H]2C1 2086145209 JXWPRAYBKIIHNI-QWRGUYRKSA-N 484.957 3.767 50 10 JHGE CCCN1CC[C@H]([C@@H](Br)c2ccc(F)cc2I)S1(=O)=O 2145768509 MJGPSUSHBOYFCN-OLZOCXBDSA-N 476.149 3.680 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150958005 IYDJWPUZAYZHDU-XDTLVQLUSA-N 450.114 3.632 50 10 JHGE CC1(C)[C@H](CBr)OCCN1C(=O)c1ccc(I)c(Cl)c1 2159641211 VPGIXMYDGNXYPQ-LBPRGKRZSA-N 472.548 3.959 50 10 JHGE CN1CCN(C(=O)c2cc(Br)ccc2Br)[C@@H](CCBr)C1 2202835890 ZRFCNVNOPVIUMB-NSHDSACASA-N 469.015 3.753 50 10 JHGE Clc1ccc(I)c(CN2C[C@@H]3CCO[C@@]3(CBr)C2)c1 2231265406 IYWDLDBLGJEMSQ-FZMZJTMJSA-N 456.549 3.930 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCI)C[C@@H]1C(F)(F)F 2243586313 OEHHDYQYKFQRQF-NEPJUHHUSA-N 450.283 3.837 50 10 JHGE C[C@H](Br)COCc1cn(Cc2cc(Cl)ccc2I)nn1 2295785514 RSSOMXUNUSEURQ-VIFPVBQESA-N 470.536 3.884 50 10 JHGE COc1ccc(Cl)cc1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296653989 CTVJVHGQAKXHFY-UHFFFAOYSA-N 477.904 3.999 50 10 JHGE CC(=CC#N)N1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)cc2C1=O 2313944517 KTBWVXGXEHQXGJ-UHFFFAOYSA-N 482.496 3.891 50 10 JHGE O=C(NN=Cc1ccc(Cl)cc1Cl)[C@H](Sc1nnc(O)nc1O)c1ccccc1 2323176724 CEGNPPYHKXTDCO-CQSZACIVSA-N 450.307 3.573 50 10 JHGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2324879198 XLDIXGYKVDUOLL-UHFFFAOYSA-N 450.545 3.943 50 10 JHGE CS(=O)(=O)Nc1ccc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2331331014 PGPAZVBXLOMJSD-UHFFFAOYSA-N 455.517 3.903 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](CBr)C2(CCC2)C1 2364229580 BXJKFQUHTVNGTJ-MRVPVSSYSA-N 470.003 3.582 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)c1 12489997 CTAJQEQDISFUAK-UHFFFAOYSA-N 476.371 3.628 50 10 JHGE CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 13304360 DJINCAVRKKMUNJ-QGOAFFKASA-N 486.505 3.786 50 10 JHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CCC)cc1 14032385 AISUZAVQKBROMV-UHFFFAOYSA-N 456.568 3.553 50 10 JHGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(CC)CC)c1 35447543 QNKNLXAZZYJOPM-HKWRFOASSA-N 477.590 3.613 50 10 JHGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccccc3F)c2[N+](=O)[O-])cc1Cl 40658221 AXYNJTNXXDQQNF-UHFFFAOYSA-N 462.825 3.695 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 40658561 WENDPQPXAQVJMQ-UHFFFAOYSA-N 483.794 3.961 50 10 JHGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCOC)c(=O)oc3c2)cc1 40894405 QFNVUZGNCWHLCW-XSFVSMFZSA-N 490.512 3.861 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(OC)c(OCC#N)cc2Br)cc1 58894231 RXNDYODKRBFYRI-CPUXBYDOSA-N 490.354 3.723 50 10 JHGE COc1ccc(/C=C(C#N)/C(O)=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 105891712 IOKDLOXZSHOAAV-WYXKWXERSA-N 454.490 3.512 50 10 JHGE CC(C)[C@@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1)n1cnc2cc(F)c(F)cc21 109495110 FOFHQQAQQACJAQ-BUXKBTBVSA-N 495.324 3.889 50 10 JHGE COc1ccc(C(=O)NN=Cc2cccc(OC)c2OS(=O)(=O)c2ccc(C)cc2)cc1 252590409 ASZWDTZDFBUXJA-UHFFFAOYSA-N 454.504 3.544 50 10 JHGE COc1cc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@H]54)[C@H]23)cc(OC)c1O 256026834 QXLHBVBPJVIWCW-LLRHGGLJSA-N 477.585 3.716 50 10 JHGE COc1ccc(NS(=O)(=O)c2cc(C(=O)NNc3ccc(F)c(F)c3F)ccc2C)cc1 728716673 AGZMHCRPNMZOFE-UHFFFAOYSA-N 465.453 3.979 50 10 JHGE CN1CCc2c(sc(NC(=O)C(=O)Nc3ccc(SC#N)cc3)c2C(=O)OC(C)(C)C)C1 1860753141 KFIHVJMSCAXQPS-UHFFFAOYSA-N 472.592 3.842 50 10 JHGE CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)cc1[N+](=O)[O-] 1860774168 PKAGCAXMAUAFTH-JMIUGGIZSA-N 452.261 3.624 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)Cc3cn(C)c4ccccc34)c(C)n2)cc1OC 1865758973 BULUFBDYZQRWRN-UHFFFAOYSA-N 458.518 3.570 50 10 JHGE C[C@@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867080291 IDUQKALPVJNVLT-QGZVFWFLSA-N 483.594 3.925 50 10 JHGE O=C(NCc1nnc(CBr)s1)c1c(Br)cccc1Br 1877548438 IMNAJKXIHHRNBX-UHFFFAOYSA-N 469.984 3.888 50 10 JHGE COC[C@@](C)(CBr)CNC(=O)c1ccc(I)c(Cl)c1 1926999963 MFVFGLGMQLAJJG-ZDUSSCGKSA-N 460.537 3.722 50 10 JHGE O=C(NC[C@@H](Br)CF)c1cc(I)ccc1Br 1937691250 KQKXPIRTCWPGIE-LURJTMIESA-N 464.898 3.517 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](I)C1 1994514570 CTUKKDSSDCBIHK-QMMMGPOBSA-N 461.468 3.594 50 10 JHGE CO[C@@H]1C[C@@H](Cl)CN(C(=O)c2cc(I)ccc2Br)C1 2109019771 BXUSSSDTRKQVRT-PSASIEDQSA-N 458.521 3.522 50 10 JHGE CN(CC[C@H](Br)c1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2168117911 RLTDSTDQJWRGLX-FQEVSTJZSA-N 493.423 3.851 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179952825 RLXIOYQANXBYTD-UHFFFAOYSA-N 465.404 3.725 50 10 JHGE O=C(c1cc(I)sn1)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2232024502 LGXRZWWVNGEHGC-QXEWZRGKSA-N 455.159 3.916 50 10 JHGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1 2297321340 MINGMRQWVBZVKC-UHFFFAOYSA-N 465.513 3.808 50 10 JHGE CC(=O)N(C(=O)C(C#N)=CNc1ccc(I)cc1C)c1ccc(N)cc1 2324170076 XKPXBCULYVBHDH-UHFFFAOYSA-N 460.275 3.581 50 10 JHGE NNC(=O)c1ccoc1CSc1cc(I)ccc1Br 2338331533 USQXQYWSIOKZFS-UHFFFAOYSA-N 453.099 3.543 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)CC(C)(C)C1 2338680316 BHQQCLAJBHIATC-SSDOTTSWSA-N 457.992 3.581 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)cc1I 10384221 ACSYODURRZRRFV-UHFFFAOYSA-N 465.074 3.681 50 10 JHGE CCOc1ccc(/C=C/C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 13620735 RCDBBAHQFFTJTD-BJMVGYQFSA-N 450.322 3.972 50 10 JHGE Cc1ccc(C(=O)NNC(=O)COc2ccccc2C(C)C)cc1I 13980015 QILAJSNUSKEGOV-UHFFFAOYSA-N 452.292 3.563 50 10 JHGE C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14026996 WSFOGVIHZHDHQQ-JTQLQIEISA-N 462.127 3.750 50 10 JHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14037142 BGSUJWMETNVUKQ-UHFFFAOYSA-N 476.558 3.677 50 10 JHGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 107775226 QLUFEQHEEWHQNP-ULJHMMPZSA-N 484.603 3.540 50 10 JHGE CC(CBr)(CBr)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 126489932 OUEMJVKJJZIROC-UHFFFAOYSA-N 458.932 3.636 50 10 JHGE C=CCOc1cccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1 254392068 NOSIQJCKIFHMMP-UHFFFAOYSA-N 456.502 3.901 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 398757249 ZQFZTEBIFZDQHY-GARJFASQSA-N 450.114 3.632 50 10 JHGE COc1ccc(N2NOC(=O)/C2=C(/O)N=C2[S+]=C3C[C@H](C(C)(C)C)CCC3=C2C#N)cc1 585673293 WVEGXYXOXASLBI-CYBMUJFWSA-O 453.544 3.539 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCS[C@@H](CBr)C1 720064274 NHJCDLOFRRKBRY-VIFPVBQESA-N 460.562 3.897 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c(-c2ccccc2)n1 812501543 CCBREXVZDHWYTM-INJUALFYSA-N 476.496 3.591 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)cc1Cl 1084450820 FFVXXAOAEJPCOK-UHFFFAOYSA-N 499.976 3.765 50 10 JHGE CC(=O)N[C@@H](C(=O)NNc1c(C)cccc1Br)c1cccc(Br)c1 1639914635 GSYWKLCWZQDCPN-MRXNPFEDSA-N 455.150 3.841 50 10 JHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746309 ULVFXZNQWGDFHI-UHFFFAOYSA-N 456.974 3.878 50 10 JHGE CC(C)[C@@H](C(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866976752 GWSFLOAXKVIQBX-RTBURBONSA-N 476.396 3.878 50 10 JHGE CC[C@H]1CN(CCOCCI)[C@H](CC)CN1C(=O)OCc1ccccc1 1904643822 ZKMIVIZADWEQMH-MOPGFXCFSA-N 474.383 3.950 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2scc(Br)c2Br)CCO1 2053846876 VVDGWPHKWDORQM-SVRRBLITSA-N 462.001 3.898 50 10 JHGE CCOC(=O)C12CC(CI)(C1)O[C@H]2C1CCN(C(=O)OC(C)(C)C)CC1 2105848661 POJKAPXDFDBBGO-YCMKEVRSSA-N 479.355 3.549 50 10 JHGE O=C(N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1)N1CCC(Br)CC1 2162586564 JTKRYYBKHMPXRW-IBGZPJMESA-N 480.403 3.516 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185293314 NDCOWPDYIKKILM-ZWKOPEQDSA-N 467.983 3.979 50 10 JHGE CO[C@@H]1CN(C(=O)c2scc(Br)c2Br)[C@H](CBr)[C@H]1OC 2233356501 UZXLHQZRYSNWKL-NQMVMOMDSA-N 492.027 3.522 50 10 JHGE CCOc1ccc(NC=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c([N+](=O)[O-])c1 2314579513 VXPBLECWMOUDDW-UHFFFAOYSA-N 476.489 3.749 50 10 JHGE CC1(C)C[C@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338853410 XGUXBXXVYLIOBA-MRXNPFEDSA-N 485.444 3.668 50 10 JHGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNS(=O)(=O)c1ccc(CBr)cc1 2355435604 UMZZHEKCUCTVDH-UXLLHSPISA-N 459.406 3.648 50 10 JHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1C 10152309 RPJIJZXEMZCJAE-ZDUSSCGKSA-N 455.736 3.713 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)cc1Br 12489176 RUGRYFBYZLGQBR-UHFFFAOYSA-N 450.289 3.629 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)Nc1ccccc1 12503292 SVHSOGUQQFLYHU-UHFFFAOYSA-N 473.352 3.709 50 10 JHGE CCc1cccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 30768339 DHVWHOTZNPZPNC-UHFFFAOYSA-N 457.324 3.770 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccccc1F 38652024 VEBKXYCIOARKSU-HSZRJFAPSA-N 461.405 3.936 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(F)cc1 38652710 DWSQBXDYTZOASJ-QHCPKHFHSA-N 461.405 3.936 50 10 JHGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38688738 ZBAMOKOOHLNHGM-JWQCQUIFSA-N 486.480 3.667 50 10 JHGE CCOc1cc(/C=N/NC(=O)CSc2nnc(N)s2)ccc1OCc1cccc(C)c1 40947213 BGKWVFNCAIYZEJ-FOKLQQMPSA-N 457.581 3.649 50 10 JHGE Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c12 103908254 QFOYKWGWGRGVBP-UYRXBGFRSA-N 466.544 3.854 50 10 JHGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OC 206990359 BYQSGJOIFXQXCR-AOOUSOOLSA-N 489.528 3.666 50 10 JHGE O=C(c1cc(I)ccc1Br)N(CCCl)CC(F)F 236267109 YWXURDHHXLJHHQ-UHFFFAOYSA-N 452.464 4.000 50 10 JHGE COc1cccc(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)c1 254634409 USDYBYPANFMTBU-UHFFFAOYSA-N 453.502 3.945 50 10 JHGE CCCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(N)s2)cc1OCC 256028576 WBTIKABFRPZDAJ-UHFFFAOYSA-N 488.433 3.703 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 709216199 YORCLDRWCBPBKD-DTWKUNHWSA-N 476.028 3.863 50 10 JHGE C/C(=C/C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccco1 1135559839 UEMBOZHAVHHXNN-OWBHPGMISA-N 459.911 3.598 50 10 JHGE COc1cc(I)c(Cl)cc1C(=O)N(C)C[C@H]1C[C@@H]1Br 1887829278 HWLFJDOYEAFTDB-APPZFPTMSA-N 458.521 3.809 50 10 JHGE CN(CC1CC(Br)C1)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1991458189 SFBCEMDYNZYAKI-XWEVFREBSA-N 480.447 3.788 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1Br 2026222556 ZYDGLCRPVXGMQN-XCBNKYQSSA-N 472.946 3.909 50 10 JHGE C[C@@H]([C@H](Br)c1cc(Br)ccc1Br)S(=O)(=O)N(C)C 2029076315 YHIUGGRBRLUABI-CPCISQLKSA-N 464.017 3.928 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@]2(CBr)C1 2029658187 WISPMMWHSNNEKG-AMIZOPFISA-N 484.957 3.911 50 10 JHGE COC(=O)Cc1c(I)cc(OC(F)(F)F)cc1CBr 2055376870 QICPRHFHUYYQDC-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE O=C(c1csc(I)c1)N1CC[C@H](C(F)(F)CBr)C1 2077102434 RFGNWTKYDONNDQ-QMMMGPOBSA-N 450.086 3.845 50 10 JHGE CCN1CC[C@@H]([C@@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2089522384 IJDJYPKZACZGBW-RYUDHWBXSA-N 478.577 3.805 50 10 JHGE O=S(=O)(c1c(Cl)cccc1Br)N1CC(F)(F)C[C@@H]1CBr 2159050494 UFUMXBDLRPRDKZ-SSDOTTSWSA-N 453.530 3.896 50 10 JHGE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)c1ccc(CBr)cc1)C(F)(F)F 2162592569 VVYYCNFGFXMQAZ-CYBMUJFWSA-N 475.327 3.706 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(CBr)cc2)C1 2162603507 XPALFSWAEQRXOS-HOCLYGCPSA-N 461.422 3.943 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2179868834 PLUSCLQNGYFJNL-PKOBYXMFSA-N 453.402 3.850 50 10 JHGE O=C(c1cc(I)ccc1F)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190669724 FNXWVXWPUTXQAX-JBSCMGISSA-N 456.068 3.909 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H](C)c1nnc(CBr)s1 2192613727 QMKYULYFRUIOES-YFKPBYRVSA-N 461.226 3.605 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1cc(Cl)ccc1I 2206483569 FHEXVILZVOVEFS-VXGBXAGGSA-N 470.532 3.759 50 10 JHGE CC(C)(C)OC(=O)N(CCC(C)(C)Oc1ccc(B(O)O)c(C(F)(F)F)n1)Cc1ccccc1 2240287187 LPTOAOHUGCPABE-UHFFFAOYSA-N 482.308 3.765 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCCC[C@@]1(C)CBr 2338860951 OQSAMIUFQJWHQT-LBPRGKRZSA-N 457.992 3.725 50 10 JHGE N#Cc1ccc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)c(Cl)c1 2343459266 YFHHZOBGTVAXDP-INIZCTEOSA-N 457.777 3.860 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2C[C@@H](Cl)CC[C@@H]21 2364215234 JCWGCRDNQBAKOG-UWVAXJGDSA-N 453.004 3.655 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@]2(CBr)CC2(F)F)C2(CCOCC2)C1 2379985178 FTPZBEPKTIQWCE-RHSMWYFYSA-N 453.368 3.803 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccccc1Cl 13976885 NNMFTBMUGAHCKO-JTQLQIEISA-N 476.769 3.515 50 10 JHGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc2c(c1)OCO2 33502131 YBJDNFZBQVXMON-JQSPMZORSA-N 451.523 3.738 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@@H](c2ccc(C(=O)O)cc2)NC(=S)N1 33958366 GRBPMEMEZKEQPO-WFBSDAATSA-N 463.346 3.635 50 10 JHGE O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccccc1OCc1ccccc1 48572170 BPUSFBIMJKRIPV-VULFUBBASA-N 466.335 3.908 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)c(C)c1 252602767 FLCBWSHXZITEKP-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE CN(C)C(=O)c1cccc(CN(Cc2cccc(C(=O)N(C)C)c2)C[C@H](CCl)n2cccn2)c1 825393053 JPRCFTZVSNTNDL-DEOSSOPVSA-N 482.028 3.769 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(F)c(F)c2)cc1 918948944 FSDGLIDRYXYOHK-GZQZNAIASA-N 480.471 3.924 50 10 JHGE C[C@H]1CN(CCCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C[C@@H](C)O1 920439059 BPDBIZUJXBTDTQ-YLISKIMLSA-N 481.000 3.640 50 10 JHGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NS(=O)(=O)c1ccc(CBr)cc1)C2 1260512408 WEKZPMJOSPPATG-HOTGVXAUSA-N 459.406 3.790 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703998 KJLKISIMYVFNQW-NRFANRHFSA-N 465.469 3.859 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1C(=O)Nc2cc(F)c(Br)cc21 1984041448 YEHRFANRMIFCBO-NWDGAFQWSA-N 452.118 3.912 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2cc(Br)c(Br)s2)C1 2046666470 AKRHBLUBXBPTCJ-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2scc(Br)c2Br)C[C@@H]1Br 2067189319 QBCFTOYNIKAVHK-VMHSAVOQSA-N 462.001 3.944 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2cccc(Br)c2Br)C1 2092341050 XNVDUINORYHOIL-RKDXNWHRSA-N 455.972 3.836 50 10 JHGE O=C(c1sccc1I)N1C[C@@H](CBr)OC2(CCC2)C1 2109477052 YSSNAMDQYRSPPV-SECBINFHSA-N 456.143 3.511 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cccc(Br)c2Br)C[C@H]1Br 2130816064 DBGIFYLILZHYPI-AVPPRXQKSA-N 455.972 3.882 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CC2(C1)OCCC[C@@H]2Br 2159663272 UGVOFJOWNMJKBE-LBPRGKRZSA-N 467.983 3.980 50 10 JHGE CCCn1cc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179858154 KXGWNKGHDKPCPN-GOSISDBHSA-N 454.434 3.688 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186714004 BQECNFPLNPCTNM-GVDBMIGSSA-N 469.367 3.629 50 10 JHGE O=S(=O)(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1ccc(Br)s1 2192574591 CFPHBGJJNAJZAI-RCOVLWMOSA-N 457.131 3.752 50 10 JHGE NNC(=O)C1(COc2c(Br)cc(Br)cc2Br)CCC1 2230224489 FSPMXJZIWWUKFQ-UHFFFAOYSA-N 456.960 3.513 50 10 JHGE COc1cc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)cc(OC)c1 2256308888 FPFSCCSOWOZXKX-JKSUJKDBSA-N 463.312 3.643 50 10 JHGE C[C@](CI)(OCCCS(C)(=O)=O)c1ccccc1Br 2278351848 ZKAYWUQPGSTHIP-CYBMUJFWSA-N 461.159 3.551 50 10 JHGE O=C(NN=CC=Cc1ccccc1[N+](=O)[O-])C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483042 UEHWUFVKUCOXQV-UHFFFAOYSA-N 484.468 3.910 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2)c(Br)c1 2313625029 WHRHUXKJMSFJFE-UHFFFAOYSA-N 476.396 3.687 50 10 JHGE C[C@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CCN1C(=O)OC(C)(C)C 2321815989 QTWZKXFHYQHZOT-BTYIYWSLSA-N 493.692 3.725 50 10 JHGE CC[C@@]1(CBr)COCCN1C(=O)c1ccc(Cl)cc1I 2365582673 UKTQAFSDPWZJLW-CQSZACIVSA-N 472.548 3.961 50 10 JHGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(Cl)cc2I)c1C 32488520 FYXFBUXUUVVRAR-LBPRGKRZSA-N 472.710 3.790 50 10 JHGE C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccc(OCC(=O)N2CCCC2)cc1 96708540 URHREUSRBQSTNX-XYGWBWBKSA-N 468.604 3.930 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618887 WNDPRQIIOGUEOS-TURZUDJPSA-N 485.500 3.583 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2cc(Cl)ccc2I)C1 311500271 FCGHJRNMXVTJQD-ZJUUUORDSA-N 458.521 3.569 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCN2C[C@H](Br)C[C@@H]2C1 405290345 ZQFXVANELXNUKT-GHMZBOCLSA-N 466.999 3.505 50 10 JHGE COc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCc1ccccc1 1083993937 HZVYPUSZWIQBSI-UHFFFAOYSA-N 459.546 3.870 50 10 JHGE C=C(C)Cn1c(SCC(=O)NNC(=S)Nc2cc(C)ccc2C)nnc1-c1ccco1 1540366099 LTMKOCJPBWHJAK-UHFFFAOYSA-N 456.597 3.841 50 10 JHGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(F)ccc1Br 1632469000 PUMAFKJXPSRQAU-HNNXBMFYSA-N 458.328 3.599 50 10 JHGE COc1ccc(-c2nn(C)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865695459 CUTHDLQEMIWBKL-QGZVFWFLSA-N 483.322 3.791 50 10 JHGE N#C/C(=C\c1ccccc1)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 1868026521 XCKLBXMXRPAACR-JJEHFPDLSA-N 451.935 3.973 50 10 JHGE O=C(N[C@H]1CCOC[C@H]1CBr)c1ccc(Br)cc1Br 1878684978 UAHAOFXFHKTHDA-PELKAZGASA-N 455.972 3.741 50 10 JHGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@H]1C[C@@H]1Cl 1991444472 ZRJLSLCFVFCISJ-PUCZYUMASA-N 491.993 3.799 50 10 JHGE CCN(CC)[C@@H](C)CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2007006238 COJSRICRSLLJLK-MAUKXSAKSA-N 454.393 3.938 50 10 JHGE O=S(=O)(C[C@@H](Br)c1ccccc1I)N1CCCCC1 2089394584 YAISMPPYDFDAGZ-GFCCVEGCSA-N 458.159 3.543 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@@H](NS(=O)(=O)CCC(CCl)CCl)C2 2106302465 MNAWTPRFUYCXBW-WDSOQIARSA-N 463.427 3.579 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1CCCC[C@@H]1Br 2123028990 HLNQMDZXIVONRK-YJBOKZPZSA-N 485.444 3.572 50 10 JHGE O=S(=O)(c1cscc1Br)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2163289369 QJDWTYKVDSMBHA-BQBZGAKWSA-N 457.131 3.705 50 10 JHGE CCn1cc(S(=O)(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1CBr 2179785299 KBDMSUDLQYQFBO-UHFFFAOYSA-N 454.434 3.688 50 10 JHGE CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCOC2)cc1CBr 2179829679 CZVMOXLRLAULNO-SFHVURJKSA-N 454.386 3.960 50 10 JHGE O=S(=O)(c1occc1CBr)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179833021 RPMYFGGHDIZLTR-FQEVSTJZSA-N 453.402 3.851 50 10 JHGE O=C(N[C@H](CCl)C[C@H]1CCOC1)c1ccc(I)c(Br)c1 2195497750 SDOOJDLEGRYRPT-KOLCDFICSA-N 472.548 3.818 50 10 JHGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1ccc(I)c(O)c1 2196158138 WDCRDDHGTUWSTL-GXFFZTMASA-N 450.114 3.846 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@@]2(C[C@H](Cl)CO2)C1 2207266272 CCNCICZOOLIBKJ-IINYFYTJSA-N 470.532 3.666 50 10 JHGE CC12COC(CO[C@]3(CI)CCCN(C(=O)OC(C)(C)C)C3)(C1)C2 2247421818 HDNKZLFCCXPTMU-ADKAHSJRSA-N 451.345 3.777 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2267585842 AXDZBSWLQXTTJN-UHFFFAOYSA-N 482.477 3.622 50 10 JHGE BrC[C@@H]1CO[C@H]2CN(Cc3cccc(Br)c3Br)C[C@H]2O1 2279867404 OMUXBGGNBQTOAB-KGYLQXTDSA-N 469.999 3.575 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](OCCCBr)C1 2283652032 OUQRLWSLGICGDH-LLVKDONJSA-N 472.548 3.961 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC2(C1)OCCC[C@H]2Br 2283665071 SYGNESSGIBNVLM-GFCCVEGCSA-N 470.532 3.713 50 10 JHGE CCN(C[C@](C)(CI)OC[C@@H]1CCc2nccn21)C(=O)OC(C)(C)C 2326871566 PUIKIPZLOWWEEI-KSSFIOAISA-N 463.360 3.838 50 10 JHGE CN([C@@H]1CCCC[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338848947 BPYDFJZILODDHH-RTBURBONSA-N 485.444 3.811 50 10 JHGE C[C@H](Br)[C@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338852061 KPIAPLFRKWQDMP-IRXDYDNUSA-N 485.444 3.668 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2ccc(Cl)cc2I)[C@@H]1Br 2340054599 AFDHCNIOOUKUOH-MNOVXSKESA-N 458.521 3.615 50 10 JHGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 9229841 CWUIONUSGZAHAF-BJMVGYQFSA-N 497.360 3.796 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)c1 10283599 KNFUUBZQWCTPGR-UHFFFAOYSA-N 457.596 3.868 50 10 JHGE COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)cc1OC 10387064 ONFAHTQHINMOAD-UHFFFAOYSA-N 459.293 3.896 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 13977293 BTDKTNYXYLXWDY-OQLLNIDSSA-N 461.543 3.720 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 14030870 QAAGRQOOBKTKQV-DTQAZKPQSA-N 461.543 3.623 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1Br 14039497 CTPIXJWZYBQDBH-UHFFFAOYSA-N 485.334 3.990 50 10 JHGE C[C@H](NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1ccccc1 35519536 BGJBUSYOMRYBAM-GZQZNAIASA-N 477.502 3.853 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c(OC)c1 38656814 IBUJPMMGAWCESS-VWLOTQADSA-N 458.470 3.906 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38683431 YYDPXIBRODUZAO-RUZDIDTESA-N 486.480 3.684 50 10 JHGE O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1 58886344 LOPPSCGAHJGXRA-VYXQJKENSA-N 456.134 3.881 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 207214745 ZEBWWZJMDLPQEI-HKWRFOASSA-N 478.545 3.743 50 10 JHGE CC(C)CCOc1ccc(C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 727296094 USTMUYLOJMDQNW-UHFFFAOYSA-N 480.609 3.837 50 10 JHGE CC(C)(C)OC(=O)N1CCC(F)(CNS(=O)(=O)c2ccc(CBr)cc2)CC1 1260510891 WBGWVKKDVDWRRV-UHFFFAOYSA-N 465.385 3.599 50 10 JHGE C#CCCCC(=O)NNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC)cc2)c1 1635718727 OQYDUGABXJJECM-UHFFFAOYSA-N 455.580 3.703 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(C(C)(C)C)cc4)c(=O)c23)C1 1860771885 KRKPEFGBPJODQE-LSDHHAIUSA-N 466.607 3.903 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714535 MNRCHAVYIYYASW-QFIPXVFZSA-N 497.511 3.884 50 10 JHGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)CCCSc3ccc(C)cc3)cc2C1=O 1865755751 OFTYBEKXYRLKLY-MRXNPFEDSA-N 453.564 3.723 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(Cl)ccc2I)[C@@H]1Br 1911026390 MRBDGTFOAROJRC-QWRGUYRKSA-N 458.521 3.615 50 10 JHGE C[C@@H]([C@@H](Cl)c1ccc(I)c(Br)c1)S(=O)(=O)N(C)C 2029078232 MTKLTLMLRGMKPM-WRWORJQWSA-N 466.566 3.614 50 10 JHGE C[C@](CBr)(NC(=O)c1cccc(F)c1I)C(F)(F)F 2105096012 NBKAOKPPWPESSZ-SNVBAGLBSA-N 453.999 3.876 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CCC2)[C@H](CBr)C1 2151655290 KJXICKYAJKSPGL-QGZVFWFLSA-N 497.455 3.670 50 10 JHGE C[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2162592272 SJDMSABPKDWRCW-GDBMZVCRSA-N 461.422 3.895 50 10 JHGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cncc(CBr)c1 2283318835 BSHVUYXJMQDOTF-SFHVURJKSA-N 452.418 3.509 50 10 JHGE C#CCOc1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2294187411 LNSHYQJVMWQMBI-UHFFFAOYSA-N 450.336 3.717 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)CCO1 2295312505 YHFPMDMGMLKBMJ-RNCFNFMXSA-N 469.999 3.765 50 10 JHGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 2297554700 TVQOTRMLZNSHNC-UHFFFAOYSA-N 498.586 3.600 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 2328829489 QMYFHFMRMINYGU-ZDUSSCGKSA-N 491.180 3.767 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC1(CBr)CCCCC1 2338692109 ZHTYCPQMWZKHPJ-UHFFFAOYSA-N 457.992 3.773 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)C1CCCCC1 12503352 XBFFQMGEDAKJRE-UHFFFAOYSA-N 464.385 3.583 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 13979014 IVOOGHVZTCFTSW-UHFFFAOYSA-N 467.378 3.927 50 10 JHGE COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 14649946 LMUKNPOWCJEQAK-UHFFFAOYSA-N 465.344 3.604 50 10 JHGE CCCCCN1C(=O)/C(=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21 20449287 UPVIQPWNNKIHDY-NSNXWFFWSA-N 491.617 3.640 50 10 JHGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1 40884575 GUPYGUDBRADVDB-WVLWAFGASA-N 464.518 3.772 50 10 JHGE CCOc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OC 71433548 FXPBJGFICSSJQJ-RPPGKUMJSA-N 462.531 3.683 50 10 JHGE Cn1cc(Br)cc1C(=O)NNC(=O)CSCc1ccc(Cl)cc1Cl 108910618 QCQFBXCPZALEKT-UHFFFAOYSA-N 451.173 3.789 50 10 JHGE COC[C@](C)(CBr)N(C)S(=O)(=O)c1cc(Cl)c(Br)s1 689230895 GGRUPVZTQVCCOU-JTQLQIEISA-N 455.621 3.585 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1)NCc1ccccc1 1084111896 JZPGTBCQHWZWEU-UHFFFAOYSA-N 480.524 3.624 50 10 JHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(F)cc2)c2ccc(C)cc2)cc1 1084161457 NUQUOJZCUDJLLC-UHFFFAOYSA-N 469.538 3.878 50 10 JHGE CN(CC1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1)C(=O)OC(C)(C)C 1260506816 NKTCQTWTLRWZAJ-UHFFFAOYSA-N 461.422 3.849 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)Nc3ccc(Cl)cc3)c(=O)c2c1-c1ccccc1 1860769656 BZEHXWYJBHCHLE-UHFFFAOYSA-N 467.938 3.940 50 10 JHGE CC[C@@](C)(NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866905473 DYTOHFGQOUPTLO-XMMPIXPASA-N 452.580 3.562 50 10 JHGE COCCn1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c2cc(OC)ccc21 1873793259 GCPHOQYEJZHNIA-TUJXVDMFSA-N 494.592 3.882 50 10 JHGE BrCCOCCOCc1cc(I)ccc1Br 1902213567 QYHPPAVXWGBOKO-UHFFFAOYSA-N 463.935 3.982 50 10 JHGE CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2053527745 QUNRDYCPVGRBCD-FQEVSTJZSA-N 496.972 3.698 50 10 JHGE CCOc1cc(C(=O)CCl)c(I)cc1I 2060132150 XIIBQRIFLHZKJM-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@@](=O)(=NCC1(CBr)CCOCC1)C2 2163064411 UMCNKUBQSFQPDF-PPHZAIPVSA-N 465.454 3.820 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@@H](Br)C2(CCCC2)C1 2174363874 JTBRCXQEZUNINT-CYBMUJFWSA-N 450.114 3.777 50 10 JHGE CC(C)n1cc(S(=O)(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1CBr 2179857957 HDJYPAAPLLXVSZ-MOPGFXCFSA-N 452.418 3.611 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201762465 HFAWLIHNVQWQPF-YMTOWFKASA-N 470.532 3.713 50 10 JHGE CN1CCC[C@H](COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 2214887475 WYEBAZFYXUHHTA-HNNXBMFYSA-N 452.377 3.550 50 10 JHGE Cn1ncc(-n2c(CCCl)nc3ccc(Br)cc32)c1I 2280057129 NNZHOBQCVDSMMA-UHFFFAOYSA-N 465.520 3.907 50 10 JHGE CC(C)(CI)CN1C[C@@H](NC(=O)OC(C)(C)C)C[C@]12CCCOC2 2306817487 ZPNDTKVNCOCBBE-KSSFIOAISA-N 452.377 3.596 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)cc(C)c1Cl 2313625063 UIKNMSGCTBGKFV-UHFFFAOYSA-N 452.363 3.724 50 10 JHGE COc1ccccc1CCNC=C(C#N)C(=O)Nc1ccc(I)cc1C 2325411866 HUQBDUFTQDSCAG-UHFFFAOYSA-N 461.303 3.787 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@](C)(CCBr)C1 2338863354 JHYPFOIGQVFKIY-LBPRGKRZSA-N 457.992 3.582 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CC[C@H]1CCl)CC2 2364195476 QLWJKUIMCYKSJZ-KRWDZBQOSA-N 453.004 3.656 50 10 JHGE O=C(Cn1nnc2ccccc21)N/N=C/c1ccccc1OCc1cccc(Br)c1 1501025 FWEAPPBZFAGZGJ-ZMOGYAJESA-N 464.323 3.923 50 10 JHGE O=C(Oc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@H](O)c1ccccc1)c1cccc(Br)c1 3661587 JXXQYDBEOMGDTA-FINLKQIMSA-N 498.289 3.760 50 10 JHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040606 RRTDMNGDSRYDDR-UHFFFAOYSA-N 461.518 3.814 50 10 JHGE COc1ccc(-c2nnc(COC(=O)/C(C#N)=C/c3cc(C)n(C[C@@H]4CCCO4)c3C)o2)cc1 28076358 IBTISAAQQUEASI-PZDOZLBDSA-N 462.506 3.993 50 10 JHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N\O)CC(C)(C)C2 101108693 NSGXCEKSGCKAHT-MXAYSNPKSA-N 454.310 3.886 50 10 JHGE O=C(NC[C@H](Br)C1CC1)c1cc(Br)ccc1I 232472212 QGOUSFPPJXDRGD-JTQLQIEISA-N 472.946 3.957 50 10 JHGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)c2)c(C)c1 254863420 PUNQTDOGCQOGQZ-UHFFFAOYSA-N 496.501 3.505 50 10 JHGE CC(=O)N=C1C(=O)N([C@]2(C)C[C@H](N=C=O)CC(C)(C)C2)C(=O)N1[C@@]1(C)C[C@@H](N=C=O)CC(C)(C)C1 257353274 QGBJKHLFSRPDNS-HCSNEJDQSA-N 485.585 3.542 50 10 JHGE CO[C@@H](C)C(=O)Nc1cccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 920855414 DTPNXJMJAIQNIQ-OFBHVFLISA-N 468.517 3.983 50 10 JHGE CC(C)n1nc(C(=O)NNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c2ccccc2c1=O 1086999938 OXYSEDPVTPVPHD-IRXDYDNUSA-N 458.440 3.561 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 1614701137 HORFXXKKDCFIHA-MFKMUULPSA-N 477.255 3.889 50 10 JHGE CC(=O)CCc1ccc2oc(C(=O)NNC(=O)CSc3ccccc3[N+](=O)[O-])c(C)c2c1 1638895607 XGSHHJPVGMDBCC-UHFFFAOYSA-N 455.492 3.724 50 10 JHGE O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860771297 PPZBWIMXDWLJGI-DHZHZOJOSA-N 464.934 3.639 50 10 JHGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)nc3C)cc2C1=O 1865757996 DPVPYAHNJXYSAX-AWEZNQCLSA-N 474.492 3.665 50 10 JHGE COc1ccc(CN2C(=O)C(=CNNC(=O)CSc3ccc(C)cc3)c3ccccc3C2=O)cc1 2040442039 PVKDLLVXQPHAHG-UHFFFAOYSA-N 487.581 3.940 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1cc(Br)ccc1Br 2097945427 KOWJAVLSTASSHC-UWVGGRQHSA-N 455.972 3.884 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@](CNC(=O)N2CCC(Br)CC2)(C(F)(F)F)C1 2167677430 KSQIJQZMIJGRHK-INIZCTEOSA-N 458.319 3.745 50 10 JHGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(CBr)c1 2179789088 LQQSGTZJDNQBCD-QGZVFWFLSA-N 455.393 3.863 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179819305 KLASTHDGBPPGSY-ZWKOTPCHSA-N 453.402 3.626 50 10 JHGE O=S(=O)(c1ccc(OCCCBr)cc1)N1CC[C@@H](OCc2ccccc2)C1 2179831005 RFGJIQJFJBSZEO-LJQANCHMSA-N 454.386 3.830 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2179952317 KQUKAUOQXNUHQZ-ZWKOTPCHSA-N 465.404 3.723 50 10 JHGE CC(C)[S@](=O)(=NC(=O)N1CCC(Br)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2183216425 OVDHVOJZVSYMRO-YVORESIASA-N 466.442 3.852 50 10 JHGE C[C@@H](CO[C@H](CI)c1cccc(Br)c1)N1CCOCC1 2186735458 WAXKYUVZUNPDHH-SWLSCSKDSA-N 454.146 3.663 50 10 JHGE COCCN(C[C@H](C)Cl)C(=O)c1cc(Br)ccc1I 2272434622 VCMHOHUWZZOERA-VIFPVBQESA-N 460.537 3.770 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@@H]2[C@H]1CBr 2277927267 LADSHICDNFXNPC-TVYUQYBPSA-N 451.984 3.996 50 10 JHGE CCn1cc(C(=O)NN=Cc2ccccc2O)c(=O)c2cc(F)c(NN=Cc3ccccc3O)cc21 2297709007 RLNXEJGSUZQRMB-UHFFFAOYSA-N 487.491 3.782 50 10 JHGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NNC(=O)CCCCCNC(=O)OC(C)(C)C 2328801139 CAUBBRMLYFZGDX-UHFFFAOYSA-N 490.557 3.507 50 10 JHGE CC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H](n3ccc(=Nc4ccccc4O)nc3O)[C@@H]2O1 2333265790 JROQBMJRVXTZDY-IYWMVGAKSA-N 475.618 3.924 50 10 JHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1Br 10154395 HSVBVLUUUNNQFL-CQSZACIVSA-N 494.411 3.568 50 10 JHGE CC(C)CCOc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 14645642 HTXFYVSQYUKOER-UHFFFAOYSA-N 490.398 3.732 50 10 JHGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)NCCCOC(C)C 33863354 ACMCDCPKPNAMAG-CYVLTUHYSA-N 476.533 3.642 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCC(=O)N1CCOCC1 34705152 BCJMHVPIHYFSLQ-ZHZULCJRSA-N 473.529 3.903 50 10 JHGE O=C(NNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1)c1cc(Br)c[nH]1 195600685 KKLHUSNBIOEEEN-UUWFMWQGSA-N 493.789 3.665 50 10 JHGE COc1ccc(CCCc2nnc(SCC(=O)NN=Cc3cc(Cl)ccc3O)o2)cc1 252595549 CBZNSLFITVIOCU-UHFFFAOYSA-N 460.943 3.855 50 10 JHGE CCn1c(SCC(=O)NN=C/C=C\c2ccccc2OC)nnc1-c1ccc(OC)cc1 254622116 FGIZJCDQDMNFBX-ICNXSRNWSA-N 451.552 3.890 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cc(Br)cnc2O)c(-c2ccccc2)n1 726939363 DTZYTPCUMBDNFA-OQLLNIDSSA-N 463.295 3.873 50 10 JHGE CC(=NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 748140530 GMEFHODJHXEQOB-QHCPKHFHSA-N 455.580 3.532 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(N2CCOCC2)cc1 1084234099 VMOSIXNFNRBIIP-HAHDFKILSA-N 484.556 3.883 50 10 JHGE C/C(=C\C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 1126316910 WWQGPQWZHQQGPI-BUHFOSPRSA-N 455.477 3.903 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2ccc(I)c(Cl)c2)C1 1899905510 CIFCPCNEWWKEEZ-SWZMTVOYSA-N 458.521 3.617 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](I)C1 1994507462 DXWAVSDJLFIWPE-SSDOTTSWSA-N 458.919 3.861 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2cc(Br)sc2Br)CCO1 2053850465 OHVKGIMXACBHQR-SVRRBLITSA-N 462.001 3.898 50 10 JHGE COC(=O)Cc1cc(OC(F)(F)F)c(CBr)cc1I 2055371447 YVSCVNBSANLZED-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)oc1Br 2059265647 YRKGULOLBUZPLC-CYBMUJFWSA-N 492.233 3.832 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Br)c(Br)s2)C[C@H]1Br 2067182137 HPTYHCZDLCWDOQ-SHYZEUOFSA-N 462.001 3.944 50 10 JHGE C[C@H]1[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C2CCN1CC2 2077344987 ZQSYXWRREXKDGL-HOCLYGCPSA-N 464.388 3.690 50 10 JHGE CC1(C)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2092247759 RUTCVEWZPWAWHK-INIZCTEOSA-N 485.444 3.526 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NCC1(CBr)CCOCC1)C2 2163064417 UMCNKUBQSFQPDF-WINIVTDRSA-N 465.454 3.820 50 10 JHGE COc1ccc([C@@H](Br)[C@@H]2CCCS(=O)(=O)C2)cc1I 2269542430 JZULVYQPGKVUDQ-ZWNOBZJWSA-N 459.143 3.561 50 10 JHGE CN(Cc1cccc(I)c1)S(=O)(=O)[C@@H]1CC[C@H](CBr)C1 2280350940 CTYHAEYUQKNWNK-SMDDNHRTSA-N 472.186 3.616 50 10 JHGE COc1ccc(C(=O)NC(=Cc2ccc(Br)cc2)C(=O)NNC(=O)c2ccccc2)cc1 2297449834 QHILWGXELVCYTP-UHFFFAOYSA-N 494.345 3.690 50 10 JHGE C[C@@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CCN1C(=O)OC(C)(C)C 2321815991 QTWZKXFHYQHZOT-VFNWGFHPSA-N 493.692 3.725 50 10 JHGE Cn1cc(I)c(CN2CCC[C@@]3(CBr)CCCC[C@H]23)n1 2367611484 PMBKJDUUHLPWQV-LSDHHAIUSA-N 452.178 3.944 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 14654923 WRFLOFMNPFHAGP-UHFFFAOYSA-N 482.762 3.990 50 10 JHGE CCN(CC)CC(=O)N(NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)c1ccccc1 27472257 GZULYAZZSYKXMK-UHFFFAOYSA-N 459.590 3.946 50 10 JHGE N#C/C(=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1cccc(Br)c1 33932354 HCTNLLYHAAXXMG-LRJKXPEMSA-N 484.350 3.669 50 10 JHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 33959180 VGLBCJCFAROMTG-VUTHCHCSSA-N 473.529 3.965 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(O)cc2Br)cc1 58895007 XBRBGCYREOVHNC-VLZFXTDASA-N 465.344 3.916 50 10 JHGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 97475195 KBUPGIOFKNEDBX-URBBLPHHSA-N 489.528 3.666 50 10 JHGE O=C(N/N=C/c1cc([N+](=O)[O-])c(O)cc1O)c1ccc2[nH]c(-c3ccccc3Cl)nc2c1 169926635 OFBAJOSRJBJKRG-AUEPDCJTSA-N 451.826 3.967 50 10 JHGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)C)c(C)c2)c(OC)c1 206409342 DCOHXJWZMBHMFP-MOSHPQCFSA-N 466.534 3.781 50 10 JHGE CC1CCC(NC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2cccc(Br)c2)CC1 206685891 JHHCXQCFUXXFOB-BOPFTXTBSA-N 484.398 3.790 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2cc(Br)ccc2Br)C1 311962137 NOKDZIUBUVCLBM-VHSXEESVSA-N 455.972 3.836 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1Br 387898235 JKVZYADIGFGLAF-GMSGAONNSA-N 472.946 3.909 50 10 JHGE CN(CCBr)CCN(C)C(=O)c1cc(Br)ccc1Br 691336671 FNXRUQFRCOQOCU-UHFFFAOYSA-N 457.004 3.610 50 10 JHGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3ccc(F)c(F)c3F)cc2)cc1[N+](=O)[O-] 727759516 BARYBXQPFCCXAL-UHFFFAOYSA-N 480.424 3.878 50 10 JHGE Cc1ccc(NCC(=O)NNC(=O)c2cccnc2Oc2ccc(F)cc2Br)cc1 728204758 NQQJXUOSFCZDFU-UHFFFAOYSA-N 473.302 3.957 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N1CCCCC1 782092505 GFFWZZCTYOABFM-FJSNCCPHSA-N 465.941 3.968 50 10 JHGE Cc1ccc([C@H](CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)N2CCOCC2)cc1 918655137 DTYUBVKRZLRMQL-WHNPURCTSA-N 494.599 3.869 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc(N3CCCC3)cc2C)cc1 920848315 ALBKNSMXSCXOLW-LTGZKZEYSA-N 498.587 3.888 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)c1cccc(Br)c1)c1ccc(Br)cc1 1252459168 PKJYHFLFUBYHRV-OAHLLOKOSA-N 451.118 3.530 50 10 JHGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)COc1cc(C)ccc1C(C)C 1440604165 HZGMFBJROUWBEJ-QGZVFWFLSA-N 453.967 3.681 50 10 JHGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2)cc(Br)c1O 1772719795 WPSCTINGMIFDCU-UHFFFAOYSA-N 476.371 3.994 50 10 JHGE CCOC(=O)c1c(CBr)cc(I)nc1OC(F)(F)F 1848387639 KBXNAOCCSDMEAH-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE C[C@@H](C(=O)NNC(=O)c1ccccc1C(F)(F)F)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771520 ZDODZLZWFBPFAO-NEPJUHHUSA-N 478.496 3.624 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 1866607635 XWGYOERMWOTHIL-JOCHJYFZSA-N 473.554 3.940 50 10 JHGE CC(C)(CI)CN=[S@@](C)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1904650760 JRAAZDCCDMOQBD-NPMABZOXSA-N 458.406 3.945 50 10 JHGE O=C(CBr)c1cc(OC(F)(F)F)c(I)cc1[N+](=O)[O-] 2055245087 DAMDPDXDRFWWKY-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Br)sc2Br)C[C@@H]1Br 2067181878 GHHJZZKEVDNPJJ-APQOSEDMSA-N 462.001 3.944 50 10 JHGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 2076257908 QIWMZFXIXKJYBB-GMSGAONNSA-N 462.001 3.616 50 10 JHGE O=C(c1sccc1I)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2107045652 PZOWMGLWMFFISM-NKWVEPMBSA-N 468.076 3.998 50 10 JHGE CC1(C)C[C@@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163050444 JVSBUXKOMKMYMJ-OAHLLOKOSA-N 461.422 3.895 50 10 JHGE O=S(=O)(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1cc(Br)cs1 2192576405 OWAKZZFGTOOILU-CBAPKCEASA-N 457.131 3.752 50 10 JHGE ClC[C@@]12CCCO[C@@H]1CN(c1ncc(I)cc1Br)C2 2230628420 YCZXCIFGOPNASX-DGCLKSJQSA-N 457.537 3.673 50 10 JHGE Cc1cc(C(=O)N2CCOC(C)(C)[C@H]2CBr)ccc1I 2282812291 YXZKNIXTHKHQGC-CYBMUJFWSA-N 452.130 3.614 50 10 JHGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cncc(CBr)c1 2283298622 JKVSUKOFUZODFS-RTBURBONSA-N 453.402 3.981 50 10 JHGE CC(C)(C)OC(=O)NC1(C2CCN(CCOCCI)CC2)CCC1 2306796792 OJYWJRFUWPSWMW-UHFFFAOYSA-N 452.377 3.597 50 10 JHGE CC[C@@]1(C)[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338846380 YMNLOTQLCFMSOU-NQIIRXRSSA-N 485.444 3.811 50 10 JHGE C[C@H](Br)[C@@H]1CCCN(C(=O)c2c(Br)c(Br)nn2C)C1 2338863013 DNOJMZQXWOXBQF-JGVFFNPUSA-N 457.992 3.581 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CC2(CC[C@H](CBr)O2)C1 2361991569 ZDDJCFDQUKDXIM-GFCCVEGCSA-N 467.983 3.980 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCl)CC1CCCC1 2364214724 PIDRKMRYPNEWHB-GOSISDBHSA-N 455.020 3.950 50 10 JHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCCC(C)C)cc1 9696145 QCXNAKINAWSZCP-UHFFFAOYSA-N 494.411 3.832 50 10 JHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 13619673 UUJQSHREBPAGGS-QGZVFWFLSA-N 480.348 3.731 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1 14030214 BXUXBFIMSHKOQO-UHFFFAOYSA-N 450.358 3.577 50 10 JHGE CCc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14039941 ADKIQTXGLYTPER-GFCCVEGCSA-N 455.736 3.659 50 10 JHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)c1 14641612 UJMNBYQLUYKAAM-UHFFFAOYSA-N 494.411 3.515 50 10 JHGE CCCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14767163 QBAYYYLYHCQWKQ-UHFFFAOYSA-N 464.385 3.506 50 10 JHGE COc1ccc(CCNc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1OC 40583766 BUMOKVCVGOHYMU-UHFFFAOYSA-N 488.504 3.967 50 10 JHGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 40794963 JYYDIHVZHBHFBK-UHFFFAOYSA-N 482.544 3.889 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OC)cc2OC)cc1 58892981 NSZLMMSZXKHKMR-VLZFXTDASA-N 465.344 3.829 50 10 JHGE COc1cc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc(OC)c1OC 59160066 CSKBDKBPQGTFDI-VULFUBBASA-N 464.474 3.754 50 10 JHGE Cc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59250379 WIBSGYRJDMOAOJ-BHGWPJFGSA-N 470.869 3.883 50 10 JHGE O=C(NNC(=O)c1cccc(I)c1)c1ccc(NC(=O)C2CCCCC2)cc1 100449552 CNTZYNXDCRUOOL-UHFFFAOYSA-N 491.329 3.885 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(N2CCN(C)CC2)cc1 217240796 UPVLVUKQSNYKCX-VXPUYCOJSA-N 461.566 3.853 50 10 JHGE O=S(=O)(c1cc(CCl)ccc1Br)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 388175452 WIHGZPMNEWFDIM-SJORKVTESA-N 455.805 3.835 50 10 JHGE O=C(c1sccc1I)N1CCC(F)(F)[C@@H](CBr)C1 403957212 RRBODKXSKOEADE-ZETCQYMHSA-N 450.086 3.845 50 10 JHGE CCC/C(C)=C/C(=O)NNC(=O)COc1c(I)cc(Cl)c2cccnc12 920287480 DBLQNKPBYCVANY-DHZHZOJOSA-N 487.725 3.765 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cc(Cl)ccc1O 1084387854 QVERHYNDMPXTOM-UHFFFAOYSA-N 455.971 3.851 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3ccccc3C(F)(F)F)CC2)cc1 1084388559 WYXZMFWSBGDTJJ-UHFFFAOYSA-N 453.486 3.565 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 1084494974 FBZOHQAHFJFFRB-UHFFFAOYSA-N 487.965 3.703 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](CI)C1 1614633299 JHDPTBWTLUIRTC-SMDDNHRTSA-N 477.255 3.889 50 10 JHGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)c1cc(Br)ccc1O 1648610223 VFOJHYMDXJVNPN-CSKARUKUSA-N 459.218 3.918 50 10 JHGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 1772719773 VCIAONQSAXQQPF-UHFFFAOYSA-N 459.502 3.575 50 10 JHGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4cccc(Cl)c4)c(C)c32)c1 1772746716 GAZORPFPGZDMMN-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(O)c(OC)c1 1865688843 CHTPIGFGQDAXOG-NSHDSACASA-N 459.222 3.617 50 10 JHGE COc1c(Br)c(C(=O)NCCCBr)c(Br)c(OC)c1OC 1865878999 CHPVGURETODLBS-UHFFFAOYSA-N 489.986 3.752 50 10 JHGE C[C@H]([C@H](Br)c1cc(Br)c(Br)s1)S(=O)(=O)N(C)C 1941945195 FBOAPIDLXGGTEO-XRGYYRRGSA-N 470.046 3.989 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2csc(Br)c2Br)C1 2046668503 JTZDOUSXQWWTGN-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE O=C(CBr)c1c(OC(F)(F)F)ccc(I)c1[N+](=O)[O-] 2055116706 YXGBAVIZONMAEQ-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]1C(C)(C)CBr 2099641321 USPHFANQDHUPLU-QGZVFWFLSA-N 485.444 3.524 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)c(Br)s1 2122370203 RVQIRZRRUPUZGX-SFYZADRCSA-N 475.044 3.813 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]2CC[C@H](Cl)C[C@@H]21 2167011670 OUNGPNAPWWKFFM-GJYPPUQNSA-N 453.004 3.511 50 10 JHGE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(Br)CC2)C[C@H]1CC(F)(F)F 2176101299 FMWJYYRSFVITCY-CYBMUJFWSA-N 458.319 3.839 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179834920 NYBDPLBFAVMAIY-UWHLTILDSA-N 455.462 3.866 50 10 JHGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(CBr)n(C3CC3)c2)C1 2179857555 AVYMKQFKPIPDGW-SFHVURJKSA-N 452.418 3.613 50 10 JHGE CCN1CCC[C@H]([C@@H](Br)c2ccc(C)c(I)c2)S1(=O)=O 2232824683 BNVDQFOFUFJWRM-KGLIPLIRSA-N 472.186 3.850 50 10 JHGE C[C@@H]1COCCN1CCO[C@H](CI)c1cccc(Br)c1 2285516497 SVSPHYROYBXQMA-IUODEOHRSA-N 454.146 3.663 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@@H]1CCc2nccn21)C(=O)OC(C)(C)C 2326870760 PUIKIPZLOWWEEI-KBXCAEBGSA-N 463.360 3.838 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC2(CC1)C[C@@H]2CBr 2364212500 XXZNQDHWNPFJTQ-QGZVFWFLSA-N 497.455 3.670 50 10 JHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(OC)c2)cc1 14029180 OPZSFRVEYUJUKQ-UHFFFAOYSA-N 459.568 3.612 50 10 JHGE COc1ccccc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40648388 OLFNIGOHJXXYPY-UHFFFAOYSA-N 459.260 3.656 50 10 JHGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816336 JVRDGBVJEXXVBP-JVWAILMASA-N 488.331 3.620 50 10 JHGE COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2ccc(Cl)cc2Cl)ccc1O 59384241 FSHPKCIRGDJMGI-WVZWPQFDSA-N 465.362 3.651 50 10 JHGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cc(Br)ccc1O 59506390 BGLIYWBDBSWBHC-CNHKJKLMSA-N 467.326 3.915 50 10 JHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Br)cc1 100445960 OIIXHZDAWBTORM-UHFFFAOYSA-N 459.127 3.936 50 10 JHGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 252617667 KXZQKXSCDIRIBA-UHFFFAOYSA-N 469.251 3.735 50 10 JHGE O=C(CBr)c1c(F)ccc(I)c1I 306518790 HNBMBRICLQMNBR-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE O=C(Cl)c1c(OC(F)(F)F)cnc(I)c1I 396182542 QEOQMOKOHHPBGH-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)c(C)n1-c1ccc(F)cc1 727184232 BRDPWHNRCIZCSG-PDGQHHTCSA-N 478.505 3.706 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)cc2Br)cc(OC)c1O 1084339149 VWPXLBCERIBCOR-UHFFFAOYSA-N 451.317 3.824 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)COc1cc(C)ccc1C(C)C)c1ccc(Br)cc1 1470663735 RAAOKJPLIDTHJE-LJQANCHMSA-N 458.356 3.965 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccccc2O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720751 XMAVCPXJPJOTAE-UHFFFAOYSA-N 494.500 3.800 50 10 JHGE CCc1nn(CC)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700662 ANRXYRSRARNRJR-CYBMUJFWSA-N 468.149 3.914 50 10 JHGE CN(C)[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867277706 AXYCOWNKQHHQFZ-PKTZIBPZSA-N 459.575 3.624 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@H]1Cl 1924876960 OVSHFKXKDOOMFH-APWZRJJASA-N 453.004 3.560 50 10 JHGE CC(C)(CCl)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1960075960 XFSOERRBLAGGNP-HSZRJFAPSA-N 480.989 3.860 50 10 JHGE O=C(N[C@@H](CCl)C(F)(F)F)c1ccc(I)c(Br)c1 2030005067 NLBWCTDJHLRYJZ-QMMMGPOBSA-N 456.427 3.953 50 10 JHGE FC(F)(F)c1cnc(N2C[C@H](Br)C(F)(F)C2)c(I)c1 2095741978 OVPURBMXDXRCQZ-ZETCQYMHSA-N 456.978 3.924 50 10 JHGE O=C(NC[C@H](Br)CC(F)(F)F)c1cc(I)ccc1F 2119071540 SVMLLTHPYHVXAU-ZCFIWIBFSA-N 453.999 3.876 50 10 JHGE BrCc1nnc2n1CCN(Cc1c(Br)cccc1Br)C2 2171792305 ONLNVGCMIKRLCF-UHFFFAOYSA-N 464.987 3.714 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179818580 BFQUIADETHKHOR-ZWKOTPCHSA-N 469.470 3.828 50 10 JHGE O=C(N[C@H]1CC[C@H]1CBr)c1ccc(Br)cc1I 2213305711 HQEUVLDXVFPQIL-CPCISQLKSA-N 472.946 3.957 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H]2CCO[C@@]2(CBr)C1 2231353563 WIEGKZSBLLJPPG-KRTXAFLBSA-N 474.012 3.899 50 10 JHGE COCCN(C[C@@H](C)Br)C(=O)c1ccc(Cl)cc1I 2340061253 LWUZLAOFXAAXGK-SECBINFHSA-N 460.537 3.817 50 10 JHGE O=S(=O)(CCC(CCl)CCl)Nc1cc(F)c(I)c(F)c1 2366897918 URFXSAKCSRAYTR-UHFFFAOYSA-N 458.095 3.795 50 10 JHGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1Br 13977033 AISNONPTXUPDNU-UHFFFAOYSA-N 479.356 3.604 50 10 JHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCC)cc2)c1 14041945 YXJWPPAVPZUKKZ-UHFFFAOYSA-N 456.568 3.553 50 10 JHGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 40948960 AQVDENUXXXPBCU-OBGWFSINSA-N 463.519 3.612 50 10 JHGE CNC(=O)/C(C#N)=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2c(C)cccn2c1=O 102993894 AGWIFZLTLNLBNL-KQWNVCNZSA-N 463.541 3.863 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2cc(Br)sc2Br)C1 386517630 NDOGAESQTFVGGR-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H]1Br 387898240 JKVZYADIGFGLAF-OIBJUYFYSA-N 472.946 3.909 50 10 JHGE CN(C)C[C@@H](Br)CN(C)C(=O)c1scc(Br)c1Br 690298596 MDUQNSAFGDYFDY-SSDOTTSWSA-N 463.033 3.670 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1 725879978 UJSMNLLDLGNXCC-QFIPXVFZSA-N 459.546 3.909 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)N1CCc2ccccc21 761400079 GFFNEKKFXXXSFK-OSEFQUDUSA-N 465.513 3.892 50 10 JHGE CCOc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1O 1084605028 VHRUPSITKWFQPL-UHFFFAOYSA-N 487.965 3.790 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCN(S(=O)(=O)c3ccc(CBr)cc3)CC2)C1 1260505959 XXUATTGKGAXYRA-UHFFFAOYSA-N 459.406 3.603 50 10 JHGE Cc1c(C(=O)NC2CCCCC2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747393 PIVGKHNTIGNKPW-UHFFFAOYSA-N 452.511 3.958 50 10 JHGE COC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748572 AXFVGNXLUKCKPF-LBPRGKRZSA-N 482.364 3.895 50 10 JHGE CCOC(=O)Cc1nc(OC(F)(F)F)cc(I)c1CBr 1848387781 UZFKLUNWIGMSPL-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)cc2)sc(C(=O)OCCOC)c1C 1866127154 LLTWJXVTPHPVBD-SFQUDFHCSA-N 456.520 3.891 50 10 JHGE FC(F)CN(CCBr)c1ncc(I)cc1Br 1988531096 OOBVFRLJHLYPTE-UHFFFAOYSA-N 469.893 3.915 50 10 JHGE O=C(CBr)c1ccc(I)c(I)c1S 2060150949 LTMVZAGHFFOFMC-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2ccc(Br)cc2Br)C1 2109021055 FWWBMNREOURZSI-UWVGGRQHSA-N 455.972 3.836 50 10 JHGE CC[C@H]1CN(S(=O)(=O)c2ccc(CCBr)s2)CCN1Cc1ccccc1 2123241265 GZPGBTAQBNWBDD-KRWDZBQOSA-N 457.459 3.971 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CC2(C1)OCCC[C@@H]2Br 2159658582 HDDGGNVANNJVIZ-LBPRGKRZSA-N 467.983 3.980 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CC2(C1)OCCC[C@@H]2Br 2159662210 QFSUHQDKKHZQNF-NSHDSACASA-N 467.983 3.980 50 10 JHGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)cc1 2179776382 UBKZPFXVEJBHRN-HXUWFJFHSA-N 451.430 3.909 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2179834919 NYBDPLBFAVMAIY-DOIPELPJSA-N 455.462 3.866 50 10 JHGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N1CC[C@H](COCc2ccccc2)C1 2179861694 LEYOELGARWJZEO-KRWDZBQOSA-N 453.402 3.945 50 10 JHGE COC(=O)c1ccc(CNC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2325411842 GHHGBBVHJJQBJS-UHFFFAOYSA-N 475.286 3.522 50 10 JHGE O=S(=O)(NCCSCCCCl)c1cc(Br)ccc1Br 2335630954 QCRKRILCQFVCAU-UHFFFAOYSA-N 451.633 3.852 50 10 JHGE CCOC(=O)c1nn(-c2ccc(OCC)cc2)c(=O)c2c(NC(=O)CCCCl)scc12 10248376 VTBGDSCTBORKFZ-UHFFFAOYSA-N 463.943 3.980 50 10 JHGE CCn1c(=O)c2c(nc(/C=C/c3ccc(OCCCCBr)cc3)n2C)n(CC)c1=O 33984811 ZXLWUYGUMUAQQJ-JLHYYAGUSA-N 475.387 3.661 50 10 JHGE CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40572975 NFBXGQSHTCIRMK-UHFFFAOYSA-N 457.288 3.541 50 10 JHGE C#CCOc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 58893798 HZHVCIZMIVOLTG-ZOLHPDHPSA-N 459.340 3.824 50 10 JHGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 217212478 KGSMAHLRJBDGCJ-MRCUWXFGSA-N 488.569 3.831 50 10 JHGE BrCCCCCn1cnc(I)c1I 308199183 TZWLITYESVFJKW-UHFFFAOYSA-N 468.902 3.658 50 10 JHGE COc1cc(OC)c(C=NNC(=O)COc2ccc(Br)cc2)cc1Br 1084304956 DCNWAVDZRKGOFS-UHFFFAOYSA-N 472.133 3.758 50 10 JHGE C#CC[C@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)CCCN1C(=O)OC(C)(C)C 1296924692 DUBQUTUMAMKRBW-HXUWFJFHSA-N 455.342 3.939 50 10 JHGE O=C(O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3cccc(Cl)c3)sc2=O)c1 1772719869 IUPOHESUICAXJU-UHFFFAOYSA-N 450.303 3.727 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc(OC)c1O 1865714150 DZYRNVHPBQLPTK-FQEVSTJZSA-N 452.898 3.834 50 10 JHGE CSCC[C@@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867161870 GOKXOLIKCUHXPJ-QGZVFWFLSA-N 452.565 3.535 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)CC1CCCCC1 1926786421 OGISCNHJMQXLMR-KRWDZBQOSA-N 485.444 3.716 50 10 JHGE CC[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC[C@H]1NC(=O)OC(C)(C)C 2163052108 ZPHGRUAJOAAPNR-NVXWUHKLSA-N 461.422 3.895 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNC(=O)N2CCC(Br)CC2)C1 2163269097 HFYZHZGCNMCQMJ-DGCLKSJQSA-N 458.319 3.601 50 10 JHGE C[C@H]1[C@H](C(F)(F)F)N(C(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2172602954 AFFJTBJYXPBHCN-WCQYABFASA-N 458.319 3.838 50 10 JHGE C[C@@H]1[C@@H](CN(C)S(=O)(=O)c2cc(CBr)sc2Br)C1(F)F 2179789433 QKHMUVRGNZQLPD-HTRCEHHLSA-N 453.168 3.927 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CCO[C@]2(CCl)C1 2239905687 ZIUZNSPIDPDHFH-YMTOWFKASA-N 470.532 3.524 50 10 JHGE CC[C@@H](CCCl)S(=O)(=O)c1ncc(I)cc1Br 2251311056 PJJIKEJZTAIMBG-QMMMGPOBSA-N 452.539 3.630 50 10 JHGE O=C(c1c(F)cccc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2282786442 FSQYMUOZVQPKGX-XXEYQXHCSA-N 456.068 3.909 50 10 JHGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NC[C@@H]2CCCO2)ccc1Cl 2296543692 YSDORLJYHUJOFK-SFHVURJKSA-N 464.909 3.651 50 10 JHGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)NCCCOC(C)C 2296846312 ACMCDCPKPNAMAG-UHFFFAOYSA-N 476.533 3.642 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC#N 2313567980 QSRZXKAMVLFPQM-UHFFFAOYSA-N 450.926 3.897 50 10 JHGE CCc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314795855 XBFYQXSPJLUGSF-UHFFFAOYSA-N 478.545 3.788 50 10 JHGE CC(=NNC(=O)c1ccc(-c2ccc(F)cc2F)nc1C)c1ccc2c(c1)N(C)C(=O)CO2 2321276043 JBRYFDPFDPOKTE-UHFFFAOYSA-N 450.445 3.844 50 10 JHGE CCCOc1ccccc1C=CC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 2325886504 MLNVXXXJBZHRCW-DLBZAZTESA-N 494.617 3.793 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H]2[C@@H]1CBr 2335067255 LADSHICDNFXNPC-WQAKAFBOSA-N 451.984 3.996 50 10 JHGE Clc1ccc(CN2CCCN(CCBr)CC2)c(I)c1 2341058151 BVTGPZBXXPPNTC-UHFFFAOYSA-N 457.581 3.847 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2355687359 BAUNPSTUCPDPPG-RLCGTCKNSA-N 467.983 3.694 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CCl)C[C@@H]2CCC[C@@H]21 2364195219 NTXCHIWGUKCZKE-ZWOKBUDYSA-N 453.004 3.655 50 10 JHGE N#C/C(=C1\Nc2ccccc2S1)c1nc(C#N)c(C#N)nc1N1CCN(c2ccccc2)CC1 949121 LMTXULPNYWKZON-BWAHOGKJSA-N 462.542 3.957 50 10 JHGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 12501471 IBLQXZFNADNBJI-UHFFFAOYSA-N 473.769 3.701 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OC 38658767 SUSGHMHWKJJCRA-RUZDIDTESA-N 488.496 3.915 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 48571807 VACZWSOWASDWGD-WKULSOCRSA-N 471.492 3.567 50 10 JHGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C)ccc1OC(=O)/C=C/c1ccccc1 254489124 QCFHKLTYWKOHQG-HXPGNJKGSA-N 457.486 3.711 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCSC[C@@H]1CBr 387855457 FVUCHOUBJWGDFK-VIFPVBQESA-N 460.562 3.897 50 10 JHGE CC1(C)OB(c2cnn(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)OC1(C)C 669367648 DKYAWAIZFBJLQW-UHFFFAOYSA-N 476.502 3.759 50 10 JHGE CC(=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1C[C@H]1c1ccccc1Cl 920362016 HEMLGOXWZLGPNM-VXKWHMMOSA-N 490.025 3.589 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccncc1 1084215350 WLOCEIIAIMSCAU-OAHLLOKOSA-N 455.975 3.756 50 10 JHGE C=CC[C@]1(C(=O)NNC(=O)c2ccccc2Br)CCCN1C(=O)OC(C)(C)C 1624209215 CQQVNNMTZOETHD-HXUWFJFHSA-N 452.349 3.556 50 10 JHGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 1860560036 PIZPGKXRLFANKI-UHFFFAOYSA-N 471.498 3.532 50 10 JHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccc(Br)cc4F)c(=O)c23)C1 1860773045 NQDGAEUTGQBWQN-CCOKCROXSA-N 477.359 3.635 50 10 JHGE Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)c(C)c1 1865760141 IVSLJYLGYMJRCK-UHFFFAOYSA-N 487.487 3.667 50 10 JHGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 1873777877 VWZKHIAPXHJVOL-HNNXBMFYSA-N 451.354 3.929 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC(CCBr)C1 1946929302 AORIBBQLMVJFQO-UHFFFAOYSA-N 472.946 3.911 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1sc(Br)cc1Br 2006148205 JRXNKAIFCRCKDR-HLORNFRZSA-N 465.026 4.000 50 10 JHGE Cc1cccc(C(=O)N2C[C@H](Br)[C@H](Br)C2)c1I 2019466815 VDHOQXIQSQKGDX-AOOOYVTPSA-N 472.946 3.582 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@H]1C[C@H]1C1CCOCC1 2022694757 COFRKITVSGCMLB-VKJFTORMSA-N 453.361 3.784 50 10 JHGE BrCCN1CCC[C@@H](Nc2ncc(I)cc2Br)C1 2069524947 AXLKFGZWTLWCKI-SNVBAGLBSA-N 488.993 3.720 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H]3C[C@@]3(CBr)C2)cc1Br 2146321531 RCRVQWOMTDGJPI-NOZJJQNGSA-N 488.039 3.926 50 10 JHGE CN(C[C@H](F)C(F)(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179793092 OVEXICMCTFZMTG-ZETCQYMHSA-N 463.110 3.926 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179825244 FIQRBHNPUVCLOZ-BQJUDKOJSA-N 455.462 3.866 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@@H]2C[C@@H](Cl)C[C@@H]21 2185306549 IRFVLEPRIMAGLO-TVYUQYBPSA-N 470.532 3.665 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2COC[C@]2(CBr)C1 2234584591 YUEMFFDHBBKLCY-XPTSAGLGSA-N 467.983 3.695 50 10 JHGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccn1 2239858811 PEADYXKZOUNUSS-UHFFFAOYSA-N 452.418 3.652 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCN(Cc2ccccc2)C1 2242049233 JUEUYIHGGFRPLY-XLIONFOSSA-N 474.383 3.996 50 10 JHGE Cc1cc(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c1 2269566730 LFHIQMRFHZRJDD-SANMLTNESA-N 486.377 3.567 50 10 JHGE COc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4CCCCl)C(=O)NC2=S)cc1 2296928399 KWWWEHACIDCDDV-UHFFFAOYSA-N 455.967 3.518 50 10 JHGE CC(C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)=Cc1ccco1 2297469962 QHYWZBJPBFZRAA-UHFFFAOYSA-N 484.929 3.590 50 10 JHGE C[C@@H](Br)[C@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2338675640 XZWGEJFWNVERCV-HTQZYQBOSA-N 457.992 3.723 50 10 JHGE C[C@H]1C[C@@H](CBr)CCN1C(=O)c1c(Br)c(Br)nn1C 2338687537 ZIQUGPRACYCEPH-YUMQZZPRSA-N 457.992 3.581 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H]1N2S(=O)(=O)c1ccc(CBr)cc1 2355418370 VCPSZJWWHGWSKY-YQQAZPJKSA-N 459.406 3.648 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCBr 2364214832 PKBDWPGFROGOKE-ROUUACIJSA-N 499.471 3.916 50 10 JHGE CN(CC1CC(Br)C1)C(=O)[C@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370333017 RBVHXTNTQHANLG-GRAKBVBRSA-N 465.369 3.867 50 10 JHGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C 24287013 UNNBJWSUAUDVCC-SFHVURJKSA-N 472.517 3.612 50 10 JHGE Cc1ccc(C(=O)NNC(=O)[C@@]23CC[C@@](C)(c4nc5ccc([N+](=O)[O-])cc5nc42)C3(C)C)cc1 33769318 ZKEGHECGLIBZKC-LOSJGSFVSA-N 459.506 3.637 50 10 JHGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(Br)cc4)c3N)sc2c1 40784260 ISXSGLXAMZPEBV-UHFFFAOYSA-N 486.355 3.940 50 10 JHGE O=C(N/N=C/c1ccccc1O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1 245298182 YDBBEGWEPITZGB-OOOXRFEASA-N 483.568 3.515 50 10 JHGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1O 254391860 AMAOQXVLJPGSMP-YVJBDIRQSA-N 472.545 3.778 50 10 JHGE CC(CBr)(CBr)NS(=O)(=O)c1c(Cl)cccc1Br 385460940 HQWJWQMPJMRDCA-UHFFFAOYSA-N 484.435 3.929 50 10 JHGE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CCC(C)C)c1 727349217 VTQWLZGGCQWPFC-UHFFFAOYSA-N 494.013 3.927 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)NCc1ccccc1 761396564 GAHOCERRAJUURG-OMNSNBSWSA-N 453.502 3.619 50 10 JHGE C[C@@H](Oc1ccccc1Br)C(=O)NN=Cc1cc2c(cc1Br)OCO2 1083921994 AIXZWLSSODXGFX-SNVBAGLBSA-N 470.117 3.858 50 10 JHGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1084199302 BARZAHOMSLRRFH-YWLRDNAQSA-N 484.581 3.939 50 10 JHGE Cc1cc(C)cc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3cc(C)cc(C)c3)cc2)c1 1084230548 ANRLUALDDAANAW-UHFFFAOYSA-N 486.572 3.978 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 1154050700 VETORXYKPDRNFH-UHFFFAOYSA-N 450.564 3.593 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)C[C@@H]21 1260509434 ZYPCVGHGOMVNOV-BHYGNILZSA-N 459.406 3.505 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H](F)[C@H](Br)C1 1910196467 BZWVXMDSYYLEBA-NXEZZACHSA-N 476.909 3.611 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2c(Br)cccc2Br)[C@H]1Br 1910987703 ZEGZYEIULUWTJW-MWLCHTKSSA-N 455.972 3.882 50 10 JHGE CN1CC[C@H]([C@H](Br)c2scc(Br)c2Br)S1(=O)=O 1941941028 DRYRKWSEZZNOQJ-SVRRBLITSA-N 468.030 3.743 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@H](CBr)C1CC1 1955955328 DCMRWXPUJRYRLI-INIZCTEOSA-N 464.445 3.759 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@]23CCOC3)CC1 2021276673 LQLGAOLGMLLIRL-PBHICJAKSA-N 451.345 3.634 50 10 JHGE C[C@H](Br)CC(C)(C)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213796 YTZJGJIMBLWJMT-HNNXBMFYSA-N 473.433 3.572 50 10 JHGE O=C(CBr)c1ccc(S)c(I)c1I 2060148939 RCRCPRXXQYAYQM-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2143979385 WVXAJQZTOBALTN-IRUJWGPZSA-N 450.114 3.775 50 10 JHGE C[C@@H](Br)CN1CCN(C(=O)c2cccc(Br)c2Br)CC1 2170212628 BGPHDSFLKNCPQJ-SNVBAGLBSA-N 469.015 3.753 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178082229 JZJUSRLNAJMUTL-ICCXJUOJSA-N 467.983 3.694 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)c1c(Br)cc(N)cc1Br 2196930505 UHRGULDYLBXNBO-OCAPTIKFSA-N 491.043 3.588 50 10 JHGE C[C@@]1(F)CN(S(=O)(=O)c2cc(CBr)oc2Br)C[C@@]1(C)Br 2205657068 XSGUBWRMQUAAIW-GHMZBOCLSA-N 498.006 3.823 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H]2CCO[C@]2(CBr)C1 2231354918 IHOVQWHRLXSIJD-JMCQJSRRSA-N 474.012 3.899 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2COC[C@]2(CBr)C1 2234579697 KPISOPBSCBKLBI-HZMBPMFUSA-N 467.983 3.695 50 10 JHGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297551824 JNVXXBDMAPQLST-UHFFFAOYSA-N 451.479 3.598 50 10 JHGE CC(C)(C)OC(=O)Nc1cccc([S@@](C)(=O)=NCCOCCI)c1 2306798349 DWCMBMLBIGTISJ-XMMPIXPASA-N 468.357 3.942 50 10 JHGE C[C@H]1C[C@H](O[C@@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)S1(=O)=O 2352579896 PBSPRXSKQPDOJL-BASYENTBSA-N 454.427 3.522 50 10 JHGE COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)c(OC)c1 20116054 SJFBBDYUCIQWQI-AWQFTUOYSA-N 472.133 3.758 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1CN1CCSCC1 20258551 QJJCPVDWMOQYCI-LDADJPATSA-N 451.548 3.561 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812268 OIGXPCSQDHLWQZ-OVVQPSECSA-N 490.472 3.990 50 10 JHGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)c1 40928976 JCRNDZITLJUBLW-VGOFMYFVSA-N 454.232 3.855 50 10 JHGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101335235 CJUWODWPMKXAPJ-HYARGMPZSA-N 483.484 3.686 50 10 JHGE C[C@H](CBr)[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 167746603 TXCPJAWTJKHKDW-HTQZYQBOSA-N 464.017 3.909 50 10 JHGE CO[C@@H]1O[C@H](CI)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 199030556 BTMDXQFGSXFKDC-YSTOQKLRSA-N 454.304 3.964 50 10 JHGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2ccc(C(=O)O)cc2)nc2ccccc2c1=O 254700975 LEMXKPDJFFXDPQ-UHFFFAOYSA-N 472.526 3.635 50 10 JHGE CCc1cccc2c1OCC[C@H]2NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 725758348 FYXAHXMBFMXTND-NAENUDGNSA-N 499.571 3.543 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)cc1 726156815 KEASYRMJKMQBFS-UHFFFAOYSA-N 481.412 3.760 50 10 JHGE Cn1cc(C(=O)NNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c2ccccc21 730519139 IWYZFLYDCDWFMY-UHFFFAOYSA-N 462.819 3.506 50 10 JHGE O=C(CSc1n[nH]c(NN=Cc2cccc3ccccc23)n1)NNC(=O)c1ccc(Cl)cc1 1084564699 AMYFBFIWPUXMML-UHFFFAOYSA-N 479.953 3.611 50 10 JHGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 1199058486 CTLSHVUGLWPQCN-LJQANCHMSA-N 450.539 3.738 50 10 JHGE C#CC[C@]1(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1463690468 ABGWITMSJPLLMS-RUZDIDTESA-N 457.571 3.666 50 10 JHGE C=CC1(CC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)CN(C(=O)OC(C)(C)C)C1 1540470398 OSRDRTSMVRAHBX-UHFFFAOYSA-N 452.555 3.668 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(Br)cc(OC)c1O 1873794364 FSYPJSMACDBHAY-JFUCICATSA-N 458.353 3.553 50 10 JHGE O=C(N[C@H]1C[C@H]1CBr)c1ccc(Br)cc1I 1898112701 PSIKUYSIQCKHPQ-WKEGUHRASA-N 458.919 3.567 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H](Br)[C@@H](Br)C1 2019457417 NFTPGHVWYGMSLP-WHFBIAKZSA-N 488.448 3.695 50 10 JHGE COc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cc(F)n1 2078930591 WWMRTWKPWNXWCS-UHFFFAOYSA-N 479.997 3.933 50 10 JHGE COc1cncc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078930836 AFIBPQYLUOSZTM-UHFFFAOYSA-N 462.007 3.794 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2132544903 TVQQSIYMAWAFAG-QMSLJYSESA-N 474.012 3.755 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)N2CCC(Br)CC2)C[C@H]1C(F)(F)F 2163051912 XVJXDLHXQXCKNU-WCQYABFASA-N 458.319 3.601 50 10 JHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCl)CCCCCCC1 2164485512 BBJZDUAWTOSECJ-FQEVSTJZSA-N 458.983 3.652 50 10 JHGE CC[C@@]1(CBr)COCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2169029673 STOUQEPVNAEELB-LLVKDONJSA-N 467.632 3.729 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H](CCCl)O1 2207261346 KXMPSHXUMXJNAT-ONGXEEELSA-N 472.548 3.912 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](I)C1 2243582576 TVNPYWUVDSVFSI-QMMMGPOBSA-N 461.468 3.594 50 10 JHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)ccc1B(O)O 2268641183 APZGKYHVQAKVFZ-DWXRJYCRSA-N 486.377 3.567 50 10 JHGE CN(Cc1cccc(I)c1)S(=O)(=O)c1ccc(CBr)o1 2280340815 CFJQUAGJIVNTNH-UHFFFAOYSA-N 470.126 3.600 50 10 JHGE N#CC(=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1ccc(Br)cc1 2293202000 HSKWVUOFXRFEKB-UHFFFAOYSA-N 493.361 3.808 50 10 JHGE CCOc1ccc(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)cn1 2300626648 MFIMETISPRQOSZ-QGZVFWFLSA-N 450.317 3.715 50 10 JHGE CCCOc1ccccc1C=C(C#N)C(=O)OCCCNC(=O)c1cc2ccccc2oc1=O 2314774211 XTYBLJISNMCXJQ-UHFFFAOYSA-N 460.486 3.852 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)CC12CCC2 2364230180 IZUWWAYASUGJOK-QMMMGPOBSA-N 470.003 3.867 50 10 JHGE COc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14006755 XCJFUICEQGIBAK-AWEZNQCLSA-N 465.344 3.575 50 10 JHGE CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)ccc1Cl 27550022 XEFAAPAPMUVZRW-ATVHPVEESA-N 468.893 3.751 50 10 JHGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4cccc([N+](=O)[O-])c4)c3[N+](=O)[O-])nc12 40650412 PURJQXYBCLBMLA-UHFFFAOYSA-N 466.439 3.712 50 10 JHGE COC(=O)c1c(CBr)n(S(=O)(=O)c2ccccc2)c2ncc(Br)cc12 95937241 VBGQPDOJCYHHEV-UHFFFAOYSA-N 488.157 3.717 50 10 JHGE COc1ccc(CC(=O)NN=C2C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1 254520271 CWPBRMMRXOLNRP-UHFFFAOYSA-N 499.409 3.701 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)/C(=C/c2ccccc2)CCO)cc1 263632125 DNLVEBPHUQACMY-PHORJVJUSA-N 464.543 3.679 50 10 JHGE CC(C)(CNS(=O)(=O)c1cc(Br)ccc1Br)OCCBr 312809291 JTOJQKSVJJXBCG-UHFFFAOYSA-N 494.043 3.680 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCN2C[C@H](Br)C[C@@H]2C1 405278610 UCYOXNYBKWTCFW-CHWSQXEVSA-N 466.999 3.505 50 10 JHGE C[C@H]1CO[C@H](CCl)CN1C(=O)c1ccc(I)c(Br)c1 721619125 KZFFSGFSUDYYRV-WCBMZHEXSA-N 458.521 3.522 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c(-c2ccccc2)n1 914462212 BWPQGRJNZDBSNH-LMTOTAIGSA-N 498.562 3.700 50 10 JHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1 1083868828 VEDABNWGUZECCN-UHFFFAOYSA-N 495.601 3.889 50 10 JHGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)c1ccccc1I 1865845052 GDAWEXIMTVXXNC-UHFFFAOYSA-N 477.327 3.722 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1sc(Br)cc1Br 2006147107 JRXNKAIFCRCKDR-HFEOUEFNSA-N 465.026 4.000 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1 2010826041 VPYLBPUGZYOKSM-IERDGZPVSA-N 477.693 3.651 50 10 JHGE CC(C)(CCCBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233510 UAQJILFBZGERJN-UHFFFAOYSA-N 473.433 3.574 50 10 JHGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1csc(Br)c1Br 2039821159 IDZXONJZWCBOCR-NKWVEPMBSA-N 462.001 3.803 50 10 JHGE O=C(NC[C@@H]1CC12CCC(Br)CC2)c1cc(I)sn1 2120025617 KILNYEQVVYBURA-BVDKZHGWSA-N 455.159 3.821 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2132370926 UIPDGBSDKKHPMZ-AEFFLSMTSA-N 455.443 3.581 50 10 JHGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1cc(Cl)ccc1I 2159639227 JRHAYIJXMDSKDD-GFCCVEGCSA-N 472.548 3.959 50 10 JHGE CC[C@]1(CCl)COCCN1C(=O)c1cc(I)ccc1Br 2169036356 LFLIAPPDFOHUTM-AWEZNQCLSA-N 472.548 3.914 50 10 JHGE O=C(NC[C@@H]1Cc2ccccc2CN1CCCCCI)C(F)(F)F 2220215327 HNYVRMYXRHRZSC-HNNXBMFYSA-N 454.274 3.697 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2283651798 MCUSMWJOGCAFHC-QMTHXVAHSA-N 470.532 3.713 50 10 JHGE O=C(NN=Cc1ccc(Br)o1)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297321821 UVIFERAYLTZJQN-UHFFFAOYSA-N 483.278 3.872 50 10 JHGE C[C@@H]1N(Cc2ccccc2)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2304718100 LAAHKIBQTJXCTI-JTSKRJEESA-N 469.673 3.600 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1[C@@H]1CC[C@@](C)(CI)O1 2307437649 VGQMPPXEIGFFEP-ZQIUZPCESA-N 451.345 3.775 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CCC[C@H](CBr)C1 2364022759 TXFAVEFPXIAUJN-DTWKUNHWSA-N 472.019 3.876 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@]1(CCl)CC12CCC2 2364215063 IKQBHZVMJXNIKQ-QFIPXVFZSA-N 453.004 3.562 50 10 JHGE COC[C@@]1(CCl)C=CCN1C(=O)c1cc(Br)ccc1I 2379831576 WQDDUBBBPRZXGS-AWEZNQCLSA-N 470.532 3.690 50 10 JHGE N#C/C(=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccc([N+](=O)[O-])cc1 2636751 NVCOJEJKVJMAIH-CYVLTUHYSA-N 465.487 3.940 50 10 JHGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)NCc1ccccc1 14768578 WUWWYDLYUBKYBY-DEOSSOPVSA-N 459.546 3.755 50 10 JHGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)c(OC)c2)sc2c1CCCC2 38202603 XMBKDTIQTHQOQP-NTEUORMPSA-N 456.520 3.985 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826332 GYJPIQHPZRRPEK-SGWCAAJKSA-N 472.545 3.726 50 10 JHGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 48572445 OUDIOMJQJVYYKO-STBIYBPSSA-N 473.529 3.883 50 10 JHGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 206500583 JNXSATLLVVOWMF-SSZQZOOLSA-N 450.491 3.764 50 10 JHGE O=S1(=O)CC[C@H](Oc2c(Br)cc(CBr)cc2Br)C1 232484897 PFJMTGMCJRROLR-QMMMGPOBSA-N 462.985 3.672 50 10 JHGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 254393599 KPTJGFJMFSDVRZ-UHFFFAOYSA-N 475.524 3.659 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2ccc(I)c(Cl)c2)C1 388721737 JMDJBKPTDDYVNI-VHSXEESVSA-N 458.521 3.569 50 10 JHGE Cn1ncc(C(=O)NC2(CBr)CCCCCCC2)c1I 713452699 QRYOVVJVEBHLRD-UHFFFAOYSA-N 454.150 3.633 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)cc1 725426395 HVDUNQFKBXIHJQ-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)CCC(C)C)ccc1Cl 727349092 MNBMJPMAVSZTBW-UHFFFAOYSA-N 463.987 3.919 50 10 JHGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cccc2c1OCCO2)S(=O)(=O)c1ccccc1 1084503937 BXFOWNUDZCZRMK-UHFFFAOYSA-N 499.976 3.765 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Br)c(F)c2C)cc1 1679104766 RXJIARDGCCWOGU-LBPRGKRZSA-N 452.280 3.719 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772750283 YVOXBUXYDLPWRP-UHFFFAOYSA-N 486.572 3.786 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)Nc4cccc(Cl)c4)c(=O)c23)C1 1860772181 UETXLVLMFVXRBT-RYUDHWBXSA-N 459.959 3.650 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3oc(O)nc3c2)cc1 1867129559 RPBRQVUIIJROAB-FQEVSTJZSA-N 474.498 3.792 50 10 JHGE O=C(N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2)N1CCC(Br)CC1 2044174755 AHLRWDOCJQFHSP-BHIYHBOVSA-N 450.377 3.745 50 10 JHGE O=C(CBr)c1cc(I)cc(S)c1I 2060149812 MEQKMQLFIZTHRP-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@@H]2[C@@H]1CBr 2078299773 VSRRCULWWRNVKI-DXBFQKDVSA-N 484.957 3.909 50 10 JHGE CO[C@H]1C[C@H](CCl)N(C(=O)c2ccc(Br)cc2I)C1 2142284472 COTOHWHWPHNCAO-ZJUUUORDSA-N 458.521 3.522 50 10 JHGE CN(C[C@@H]1C[C@H]1C(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179793658 XHKNXANPURALPI-POYBYMJQSA-N 453.168 3.927 50 10 JHGE COc1cc(CBr)ccc1S(=O)(=O)N1CC[C@H](COCc2ccccc2)C1 2179857621 BUDZOXLOIRAGNK-SFHVURJKSA-N 454.386 3.818 50 10 JHGE C[C@]1(CBr)COCCN(C(=O)c2ccc(I)c(Cl)c2)C1 2199824905 JCODOSYCFQLDCW-CQSZACIVSA-N 472.548 3.818 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CCO[C@]2(CBr)C1 2239891827 FISWBHJCGPVSMM-YMTOWFKASA-N 467.983 3.838 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CCO[C@]2(CBr)C1 2239902834 JAVBRKZXMMWKLQ-LKFCYVNXSA-N 470.532 3.571 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240737720 LRLFJEASYKZJKH-BXWFABGCSA-N 497.455 3.667 50 10 JHGE CCCN1CC[C@@H]([C@@H](Br)c2cc(C)ccc2I)S1(=O)=O 2240992235 VXYWRABQXPTKMA-KBPBESRZSA-N 472.186 3.850 50 10 JHGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O 2296543699 ZGKPXJVBBJDFQV-UHFFFAOYSA-N 466.925 3.898 50 10 JHGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1ccc(O)cc1 2296882153 KHBSZCZPIOPQQS-UHFFFAOYSA-N 475.617 3.677 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 2314760632 RVYZFJUOCUFUHS-UHFFFAOYSA-N 491.456 3.794 50 10 JHGE CCOc1c(Br)cc(C=NNC(=O)Cc2ccc(N)cc2)cc1Br 2318415638 SGYXZEQPJZUBHA-UHFFFAOYSA-N 455.150 3.885 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H](CBr)C(C)(C)C 2338679254 JMPCXQXZXXTSCO-SSDOTTSWSA-N 460.008 3.732 50 10 JHGE O=S1(=O)CC[C@@H]([C@H](CBr)Cc2cc(I)ccc2Cl)C1 2352429308 GNLKUPMRPZIHST-KOLCDFICSA-N 477.589 3.933 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC2(CC1)C[C@H]2CBr 2364019180 SVPZZVSCRMJRMS-QMMMGPOBSA-N 470.003 3.582 50 10 JHGE Cc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccc(F)cc4)cc3)nc2s1 96484401 WKUBMDMZNLCGNK-YBEGLDIGSA-N 461.478 3.723 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1C 213122448 RZAUXXSTGJZYRG-WQRHYEAKSA-N 491.456 3.713 50 10 JHGE CC(C)(C)c1ccc(C(=O)NCC(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 254480687 DWLBZRFIMDDXAX-UHFFFAOYSA-N 468.557 3.781 50 10 JHGE COc1cc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc(OC)c1OC 263628102 BUEHMJSGFFCAKV-UHFFFAOYSA-N 452.438 3.835 50 10 JHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccccc2O)c2ccc(C)cc2)cc1 263630365 XKXUZDGUQKONAV-UHFFFAOYSA-N 481.574 3.835 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCOC[C@H]1CCCl 694887984 JRYGEYVCFUGRDQ-SNVBAGLBSA-N 458.521 3.524 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1CCCCC1 703966928 LVMNZHLAGXIFSZ-UHFFFAOYSA-N 485.444 3.668 50 10 JHGE C[C@@H](Br)C1CN(C(=O)c2cc(Br)ccc2I)C1 719943448 XZFJVRBYBIIKJN-SSDOTTSWSA-N 472.946 3.909 50 10 JHGE O=C(COc1cccc2ccccc12)NN=Cc1cc(Br)c(N2CCOCC2)o1 1084319551 UPQGYGPGJKWIRT-UHFFFAOYSA-N 458.312 3.561 50 10 JHGE CC(C)(C)OC(=O)N1CCCC[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 1260510834 SUPBKDMDGYXBFJ-INIZCTEOSA-N 461.422 3.897 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCC=CCBr)cc1Br 2056024744 AVXXVUTUXDDUEH-UHFFFAOYSA-N 462.001 3.749 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@@H]2[C@H]1CBr 2078305445 SJLCOTIPJYVPPH-HOTUBEGUSA-N 484.957 3.909 50 10 JHGE CC1(C)CO[C@@H](CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2167521749 LAXFEMXYYYMGHB-ZETCQYMHSA-N 467.632 3.727 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179952315 KQUKAUOQXNUHQZ-QZTJIDSGSA-N 465.404 3.723 50 10 JHGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1ccc(C)c(I)c1 2224618619 MEIHUAVKFUSBJD-GFCCVEGCSA-N 460.175 3.707 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240728848 NZELOHBMMWHXJG-ZWOKBUDYSA-N 497.455 3.811 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OCCOC(F)(F)F)CC1 2242773083 PQBDDKZXSRKZDB-UHFFFAOYSA-N 453.239 3.744 50 10 JHGE O=C(O)COc1ccc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)cc1 2297322520 XSKMWTAYFDOMOC-UHFFFAOYSA-N 469.497 3.627 50 10 JHGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccccc4)cc3)nc2s1 2297350753 NVKFNVDJBXIVCU-UHFFFAOYSA-N 457.515 3.838 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)cc1 2313621379 UMSHOMVYHJSJFO-UHFFFAOYSA-N 458.971 3.674 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 2313890166 CAKOJOTXYOHKDO-ZDUSSCGKSA-N 482.389 3.895 50 10 JHGE CC(C)[C@H]1[C@H](Br)CCN1C(=O)c1c(Br)c(Br)nn1C 2338689642 XLQMCZPGRCAADG-APPZFPTMSA-N 457.992 3.579 50 10 JHGE C[C@H]1C[C@@H](Br)[C@H](C)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338846221 BKEVNVCJFYFKDP-JTDSTZFVSA-N 485.444 3.667 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CC[C@H](Cl)C[C@H]2C1 2364214304 MOPXMEYRWOAJMC-BZSNNMDCSA-N 453.004 3.512 50 10 JHGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1ccc(Cl)cc1I 2365596368 USIPUJKSZYGXDD-GFCCVEGCSA-N 472.548 3.959 50 10 JHGE Cc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1I 13979774 GVPZDVROTXWIQY-UHFFFAOYSA-N 472.710 3.710 50 10 JHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cc(C)c(Cl)c(C)c1 14032331 NTXNBXFRTVLHEN-UHFFFAOYSA-N 463.987 3.850 50 10 JHGE O=C(NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1ccccc1Cl 40658275 ZRWJMIZWGSYHCJ-UHFFFAOYSA-N 477.868 3.705 50 10 JHGE NNC(=O)c1nc(COc2c(Br)cc(Br)cc2Br)cs1 110555191 ZRTYFTVMPFHQQQ-UHFFFAOYSA-N 485.983 3.613 50 10 JHGE COc1cc(C=NNC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254615680 IRWDQCYAIBPWFP-UHFFFAOYSA-N 465.466 3.607 50 10 JHGE CN1C2=C(C(=O)OC2=O)N(c2ccc(Br)cc2)Cc2cc(Br)ccc21 725437826 XEDOYBXWPGWBEL-UHFFFAOYSA-N 464.113 3.963 50 10 JHGE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 728216808 IGCOWSMKEOBVOC-QHCPKHFHSA-N 464.547 3.906 50 10 JHGE CC(=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1084001100 OWFFJEAOTUMFBP-UHFFFAOYSA-N 486.937 3.984 50 10 JHGE CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 1084473672 ADOJGHXRFUTOIJ-UHFFFAOYSA-N 478.574 3.689 50 10 JHGE CC(=O)N1C[C@@H](C(=O)NNc2ccc(Br)cc2C(F)(F)F)Oc2ccccc21 1143987013 HMDBLOIWYXEAET-INIZCTEOSA-N 458.234 3.725 50 10 JHGE C#CCN1CCC[C@H]1C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1628551532 NAABDJLADJJLBE-VWLOTQADSA-N 453.542 3.791 50 10 JHGE CC(=O)N[C@@H](C(=O)NNc1ccc(Br)c(F)c1)c1cccc(Br)c1 1638848297 PWRJIDVUQNUCBT-OAHLLOKOSA-N 459.113 3.671 50 10 JHGE CCOC(=O)Cc1ncc(I)c(OC(F)(F)F)c1CBr 1848387764 TZVWPRIKLGJVLI-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE NC(=O)[C@@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1931649470 DZCLWQXMMKXHQF-ZETCQYMHSA-N 464.777 3.765 50 10 JHGE COC[C@@H](CCCNC(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 1985346455 CMLRIIAEBFCXAY-MRXNPFEDSA-N 467.698 3.802 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCN2CCCCC2)C1 2007003206 JAGNUMLSEDPJEW-GOSISDBHSA-N 452.377 3.694 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 2020198255 KTCWXXGJPOAATQ-ILXRZTDVSA-N 451.283 3.866 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)[C@H]2COC[C@@H]21 2040608977 XLZXGYIZQVBYTJ-CSMHCCOUSA-N 459.985 3.507 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)c1cc(Br)cc(Br)c1 2112712240 BJSBPXKOAWZTMD-CYBMUJFWSA-N 455.972 3.838 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Br)ccc2Br)C[C@H]1Br 2130820414 GIUUMJYTYQETAC-GGZOMVNGSA-N 455.972 3.882 50 10 JHGE ClC[C@@H]1C[C@@H]2OCCN(c3ncc(I)cc3Br)[C@@H]2C1 2135045441 KVRJTUVSNAAEIZ-AXTRIDKLSA-N 457.537 3.671 50 10 JHGE CCCN1CCC[C@@H]([C@H](Br)c2ccc(I)cc2)S1(=O)=O 2145778350 PFNAGVCXFVBPCU-UONOGXRCSA-N 472.186 3.931 50 10 JHGE O=C(NC[C@@H]1C[C@H]1Br)Nc1c(Br)cc(Br)cc1C(=O)O 2196902417 BJIXJALNTUNHBC-YLWLKBPMSA-N 470.943 3.815 50 10 JHGE CC[C@@H](C[C@@H](C)Br)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823240 ZBZGQDJELKDIHG-CVEARBPZSA-N 473.433 3.715 50 10 JHGE CC[C@H]1[C@@H](CBr)CCN1C(=O)c1c(Br)c(Br)nn1C 2338864730 XQGDNLYOAVWZFS-SFYZADRCSA-N 457.992 3.581 50 10 JHGE C[C@H](Br)CN1CCN(Cc2ccc(Cl)cc2I)CC1 2341049652 MGVSHVSICJXUKH-NSHDSACASA-N 457.581 3.846 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@]12CCC[C@@]1(CCl)C2 2364190557 ODBOUJPWYWBNBX-FCHUYYIVSA-N 453.004 3.562 50 10 JHGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 10040728 LJCJKXPJEKICTL-DHZHZOJOSA-N 482.389 3.896 50 10 JHGE O=C(CCC(=O)OCCCc1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 13998760 JVGDYFJCGZLPMA-UHFFFAOYSA-N 473.529 3.656 50 10 JHGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCC(C)C 14667362 QNFIGHMMAVFYQJ-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c1 33728078 AKWXOTWKGBPKJQ-DTBYZMGXSA-N 458.518 3.614 50 10 JHGE CCCCCN1C(=O)/C(=N/NC(=O)COc2ccccc2Br)c2cc(OC)ccc21 33959383 SRONTVCHIMIYLU-NJNXFGOHSA-N 474.355 3.894 50 10 JHGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc([N+](=O)[O-])c1O 40950811 WOXVNFGEROKQFJ-LSHDLFTRSA-N 480.315 3.898 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 48572121 AIVUNIRVOXQDTK-JVWAILMASA-N 469.501 3.645 50 10 JHGE O=C(O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 58889292 UIGIGSGZGRCWCI-QEPAMEFZSA-N 469.719 3.530 50 10 JHGE C/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2O)n1N)c1ccc(Br)cc1 58990977 KMIPIOQFJKORAB-QRVIBDJDSA-N 489.399 3.540 50 10 JHGE C=C/C=C\CC[C@H]1O[C@H]2CC[C@@]3(C)O[C@H]4[C@@H](O)C[C@@H](CC(=C)C=O)O[C@@H]4C[C@@H]3O[C@@H]2CC[C@]1(C)O 85596980 HINDCSLBLBWIIV-HWFPZXRZSA-N 490.637 3.566 50 10 JHGE in-vitro CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101341447 UAJJPFOCHQPYJV-OEAKJJBVSA-N 462.477 3.950 50 10 JHGE Cc1ccc(NC(=O)COc2cccc(C=NNC(=O)C(=O)Nc3ccccc3C)c2)cc1C 252607672 HDVKOSIGULNJAB-UHFFFAOYSA-N 458.518 3.718 50 10 JHGE C[C@H](Br)CN(C)C(=O)c1ccc(I)c(Br)c1 721578214 NLZPJKZKWCNZSC-ZETCQYMHSA-N 460.935 3.909 50 10 JHGE C[C@H](CCBr)NC(=O)c1ccc(I)c(Br)c1 721579996 RTLNICPWHDXXNG-SSDOTTSWSA-N 460.935 3.957 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(CCOc3ccccc3)CC2)c(-c2ccccc2)n1 914463852 GTWZHMQDLOAHJS-GFMRDNFCSA-N 480.572 3.594 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OC(C)=O)cc2Br)cc1 1083974482 KSTNEDULJNQCHM-LJQANCHMSA-N 493.354 3.746 50 10 JHGE CCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 1772720287 HUWVMPXHNFWAOR-UHFFFAOYSA-N 484.984 3.916 50 10 JHGE CCOC(=O)c1sc(NC(=O)NN=Cc2cccc(OC)c2OC)c(C(=O)OCC)c1C 1772752269 JBYJNWFPMVJZCF-UHFFFAOYSA-N 463.512 3.583 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2C(=O)O)cc1 1865704478 WWXSTNABZHDMBX-INIZCTEOSA-N 456.380 3.816 50 10 JHGE C[C@@H]1CN(c2ncc(I)cc2Br)C[C@@H]1CBr 1988535431 XNAXKDGAUVZXIQ-SFYZADRCSA-N 459.951 3.916 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)C(F)(F)C1 2034596264 VZJPMZYTTZWSFR-VIFPVBQESA-N 450.448 3.799 50 10 JHGE COC(=O)c1cc(CBr)c(I)cc1I 2055327926 FZRBONUMOYRYHQ-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE Cn1nc(-n2c(CCl)nc3cc(I)ccc32)cc1Br 2099579628 AYFFCJJQBDUNFX-UHFFFAOYSA-N 451.493 3.865 50 10 JHGE CCC[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2140772549 WOATVSWXPZKFNF-DLBZAZTESA-N 485.444 3.526 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164657043 SRRPUINATNYSSR-XHVZSJERSA-N 450.114 3.775 50 10 JHGE C[C@@H](Br)C[C@@H]1COCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2185297566 OINGQBRJAGMKFS-HTQZYQBOSA-N 467.632 3.727 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CCC2(CCOCC2)N(C[C@@]2(CBr)CC2(F)F)C1 2379985202 PZBBKBAKMYNOTH-YOEHRIQHSA-N 453.368 3.945 50 10 JHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 14037060 ZUEPDCPQQYFCJI-UHFFFAOYSA-N 463.559 3.857 50 10 JHGE CCOc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 58889586 GFMRXRJFZBACMB-OJSPLJLUSA-N 452.292 3.654 50 10 JHGE O=C(Cl)c1cc(OC(F)(F)F)c(I)c(I)n1 396179780 LQYRRFMXBBMCGP-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE COc1cccc(Cc2cnc(NC(=O)NNc3ccc(S(=O)(=O)C(F)F)cc3)s2)c1 726877749 VSDOROOLYXORGE-UHFFFAOYSA-N 468.507 3.887 50 10 JHGE O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727705308 LJUYBMBFLLMMBA-FQEVSTJZSA-N 474.448 3.507 50 10 JHGE C#CCCCC(=O)NNC(=O)CN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 1178776672 JWRYICJPTQHFRF-UHFFFAOYSA-N 459.546 3.598 50 10 JHGE O=C(N[C@@H](C[S@](=O)CC1CC(Cl)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893513522 KSFFZDAQQGQGSU-OMKREUEKSA-N 461.967 3.744 50 10 JHGE CCCN1CCC[C@@H]([C@@H](Br)c2sccc2I)S1(=O)=O 2089520703 XFPKLAWQYYRCLD-WDEREUQCSA-N 478.215 3.993 50 10 JHGE C[C@](CBr)(NS(=O)(=O)c1cc(Br)ccc1Br)C(F)F 2105087882 DQBQMDJHNPMPPI-SNVBAGLBSA-N 485.970 3.909 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CC[C@](CBr)(C(F)(F)F)C1 2111394668 PHECCNXVUJYEIZ-UYSNPLJNSA-N 456.324 3.713 50 10 JHGE O=S1(=O)CC[C@@H](CC(CBr)(CBr)c2ccc(Br)cc2)N1 2146190529 HCISVZOONMSDDH-LBPRGKRZSA-N 490.055 3.559 50 10 JHGE Cc1nc(CN(C)S(=O)(=O)c2cc(CBr)sc2Br)cs1 2179793201 QKJWMGKEMVUODC-UHFFFAOYSA-N 460.238 3.991 50 10 JHGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1cc(Cl)ccc1I 2190184976 GSNTXLAQKIAFFO-KBPBESRZSA-N 470.532 3.761 50 10 JHGE CN(Cc1cccc(I)c1)S(=O)(=O)CCC(CCl)CCl 2280331698 UJIKTBYLGPEJTO-UHFFFAOYSA-N 450.169 3.537 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H]2[C@@H]1CBr 2311376892 SJLCOTIPJYVPPH-LNLATYFQSA-N 484.957 3.909 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@@H]1CCCC[C@@H]1Cl 2364213043 DHFIUORXTUNQEW-PXNSSMCTSA-N 455.020 3.950 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](Cl)CC12CCC2 2364216314 ZVOKDWHFKRGRPC-QGZVFWFLSA-N 453.004 3.799 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)c(Br)c1 13981435 FUNQIIMGFYXLKF-CSKARUKUSA-N 496.814 3.779 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCOC)c(Br)c2)cc1 14661557 HIKDNCXTVJOHHH-OAHLLOKOSA-N 479.371 3.828 50 10 JHGE COc1cc(/C=C(/C#N)C(N)=O)cc(Cl)c1OCCOc1ccc(Br)cc1 33396857 HNFQPRDPAXMSGQ-JYRVWZFOSA-N 451.704 3.961 50 10 JHGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCOCC5)c(C)c43)coc2c1 40826928 UCQHUKGYRHPGMR-ZXVVBBHZSA-N 463.534 3.823 50 10 JHGE CC(C)(C)[Si](OC[C@H](CO)NC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1 196198274 DONGOSLMNAIDCP-QHCPKHFHSA-N 463.650 3.850 50 10 JHGE C=CCn1c(SCC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)nnc1-c1ccc(F)cc1 254614651 SAFSWLVGJCQLSO-UHFFFAOYSA-N 485.541 3.538 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 254833002 AUUCKKODXBUCFW-UHFFFAOYSA-N 489.513 3.545 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)NCC(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 728088030 BRAZQQGQDWTKCM-BKUYFWCQSA-N 459.477 3.683 50 10 JHGE CC(C)(C)OC(=O)NC1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 918593527 HOQZDJVSRLCVPB-CAPFRKAQSA-N 474.565 3.886 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NS(=O)(=O)c2ccc(Cl)cc2F)c(-c2ccccc2)n1 920791846 HEZROIFUDYYWKU-LFIBNONCSA-N 483.912 3.668 50 10 JHGE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)C(C)C 1538888966 KVCXVSNWJCNABZ-OAQYLSRUSA-N 455.942 3.840 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3ccccc3F)cc2)cc1 1858679391 SQHICQNJXXKAFU-UHFFFAOYSA-N 498.561 3.768 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865709017 LKYBWHLCXZGZMQ-QGZVFWFLSA-N 454.408 3.955 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714806 QQKATPLWAJORST-NRFANRHFSA-N 482.456 3.775 50 10 JHGE CCN1C(=O)COc2ccc(/C(C)=N/NC(=O)c3ccc(-c4ccccc4OC)nc3C)cc21 1865764292 IOHZERKBFAIXCK-LQKURTRISA-N 458.518 3.965 50 10 JHGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@H]1C[C@@H]1Cl 1991444471 ZRJLSLCFVFCISJ-OREJSRFESA-N 491.993 3.799 50 10 JHGE BrCCOCc1cn(-c2cc(Br)ccc2I)nn1 2029348111 UWXQJWMNNAZNRI-UHFFFAOYSA-N 486.933 3.546 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C12CCC2 2177301460 TWWFXVMKSIZBJP-MRXNPFEDSA-N 459.406 3.792 50 10 JHGE Cc1ccc(C(=O)N[C@@H](CBr)C[C@@H]2CCOC2)cc1I 2232839071 OZOGDJPSHBBNOA-WCQYABFASA-N 452.130 3.520 50 10 JHGE Cc1cc(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c1 2269566728 LFHIQMRFHZRJDD-AREMUKBSSA-N 486.377 3.567 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H](CCBr)O1 2283665726 WYSRDRXQEXILIL-MWLCHTKSSA-N 472.548 3.959 50 10 JHGE CC(C)(C)OC(=O)NCC[C@H](N(CCOCCI)C1CC1)C(F)(F)F 2326648852 RTTUCBFZOCNESK-ZDUSSCGKSA-N 480.309 3.748 50 10 JHGE CC(C)(CI)CN1C[C@@H](CNC(=O)OC(C)(C)C)CC12CCOCC2 2326664227 FANOOYCRTYJUJT-OAHLLOKOSA-N 466.404 3.843 50 10 JHGE COC[C@]1(CCl)C=CCN1C(=O)c1ccc(Br)cc1I 2379839488 SMSGPWCHDYTBIM-CQSZACIVSA-N 470.532 3.690 50 10 JHGE O=C(CCC(=O)Nc1ccc(I)cc1)N/N=C/c1c[nH]c2ccccc12 27498116 XQJZBQKMCAFCRN-WSDLNYQXSA-N 460.275 3.642 50 10 JHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(I)cn1)[C@H](Br)C2=O 35026079 VYXLLXKRHJBXFH-LYRGGWFBSA-N 477.140 3.784 50 10 JHGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OCC)c1 206291544 GYHKESLIMADTNU-JXAWBTAJSA-N 476.485 3.537 50 10 JHGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/C(C#N)=C3/Nc4ccccc4N3C)cc2)C1 229822361 LYMLIPMOFSVQMS-BJMDOTLUSA-N 450.564 3.833 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3O)n2-c2ccc(OC)cc2)cc1 254404559 OVVUBHFHNADDSZ-UHFFFAOYSA-N 489.557 3.900 50 10 JHGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=Cc1cccc(O)c1 254758594 KQZGYKIEIRZWIW-UHFFFAOYSA-N 474.502 3.791 50 10 JHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NC[C@H]1CCCO1)[C@H]2Br 256019347 VTNCBLXOCIJVGT-QPNXVFALSA-N 488.058 3.967 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCN2C[C@@H](Br)C[C@H]2C1 405278613 UCYOXNYBKWTCFW-STQMWFEESA-N 466.999 3.505 50 10 JHGE CCOC[C@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721619093 KSHMNUUIYCZHHT-SECBINFHSA-N 490.961 3.584 50 10 JHGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 1084025681 HMDGXPVTKIFQFC-UHFFFAOYSA-N 494.935 3.763 50 10 JHGE Cc1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1 1084460493 ZUMYNKDRQYPYCC-UHFFFAOYSA-N 473.400 3.752 50 10 JHGE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)n1 1442961132 AXPAHHQAOQANIS-QAGHZCBJSA-N 454.419 3.692 50 10 JHGE COc1cc(C=NNC(=O)COc2ccccc2Br)cc(Br)c1OC 1772719607 DMKLLEASFSEWOP-UHFFFAOYSA-N 472.133 3.758 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 1860774429 WJYZEKBADBJUKW-VSMKJSFNSA-N 473.942 3.856 50 10 JHGE Cc1nc(I)c(I)n1CCc1nc(CCl)cs1 1941542644 CWXZAUMLHOFLIL-UHFFFAOYSA-N 493.539 3.839 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@]2(CBr)C1 2029657757 SEUWWXXINPQVGR-OQPBUACISA-N 484.957 3.911 50 10 JHGE CCN1CC[C@H]([C@@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2089524074 RUGOSTMBKDSNSJ-NEPJUHHUSA-N 478.577 3.805 50 10 JHGE O=C(NCC12CC(CBr)(CO1)C2)c1csc(Br)c1Br 2103332510 FXMKGZDTGKRJBW-UHFFFAOYSA-N 474.012 3.947 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](OCCCl)C1 2170213205 HRQVOWWQTLWBOM-LLVKDONJSA-N 472.548 3.914 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254799427 HOIKTSZCSBAMQR-UHFFFAOYSA-N 473.445 3.838 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](CBr)[C@@H](F)C1 2277932311 ZEBHJGMQKOWZTF-CABZTGNLSA-N 457.963 3.946 50 10 JHGE C[C@@H](Cl)COCc1cn(-c2cc(I)ccc2Br)nn1 2278387985 YIKVAYWZPFEQPQ-MRVPVSSYSA-N 456.509 3.778 50 10 JHGE O=C(NCC(F)(F)CBr)c1cc(Br)ccc1I 2299796331 OTQLGYCGYZRJKN-UHFFFAOYSA-N 482.888 3.814 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCOC[C@H]1CCBr 2340057008 KCIXNNJKXRAONB-SNVBAGLBSA-N 458.521 3.571 50 10 JHGE C[C@@H]1CCC[C@@](CCl)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364216639 PVTUFLFBEAQORU-VGOFRKELSA-N 455.020 3.950 50 10 JHGE COc1cc([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CCC3)cc(OC)c1OC 2500587 KLPPSBGYJSUTDB-JOCHJYFZSA-N 456.502 3.777 50 10 JHGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] 40657857 KSQVAMUMRYTMIZ-UHFFFAOYSA-N 456.846 3.715 50 10 JHGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1OC 40934393 GMWCUMRJNUQNRO-CPNJWEJPSA-N 476.485 3.895 50 10 JHGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(OC)cc1 40929298 XMRWSMBADGFVQT-CPNJWEJPSA-N 476.485 3.895 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(F)c(Br)cc1N 2125295060 ZZQVACVIHYCHTE-UHFFFAOYSA-N 468.414 3.806 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1csc(Br)c1Br 2122367893 JQTQQYCRRYSKFH-YUMQZZPRSA-N 475.044 3.813 50 10 JHGE C[C@@H]1[C@@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 1914423226 IDXSHKNCXWHFQP-APPZFPTMSA-N 462.001 3.758 50 10 JHGE CCOc1c(Br)cc(C=NNC(=O)[C@H](C)Oc2cccc(OC)c2)cc1OC 1772755826 FYTGTHTVJHTACG-ZDUSSCGKSA-N 451.317 3.783 50 10 JHGE CCOc1cccc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1O 1860772960 LYASRHFJCHMLHS-RPPGKUMJSA-N 462.531 3.688 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1877419836 MIVXKPHCUTZARI-KSZLIROESA-N 455.393 3.728 50 10 JHGE O=C(NC[C@@H](Br)C1CC1)c1ccc(Br)cc1I 2026219553 XDUZAJSENBFSOL-SNVBAGLBSA-N 472.946 3.957 50 10 JHGE Cn1cnnc1CC(CBr)(CBr)c1cccc(Br)c1 689534610 YNTHECVCOGRUIU-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ccc(Br)o2)C1 380633375 BXSYTRFTYFYKPO-SECBINFHSA-N 479.028 3.796 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179954560 PCDVYANIGOROOA-SFHVURJKSA-N 465.404 3.725 50 10 JHGE CN(C(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC12CC2 2205858160 PNKKACWDXNQFMJ-INIZCTEOSA-N 459.406 3.602 50 10 JHGE COCCOc1ccc(C=C(C#N)C(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2ccccc2)cc1 2331122055 COVAHQGPPZBLHH-AREMUKBSSA-N 490.581 3.950 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@H]1[C@@H]2CBr 2333087468 QAEHRSIRMKYXIJ-BCMRRPTOSA-N 474.012 3.616 50 10 JHGE NNC(=O)[C@@H]1CC[C@H](CSc2cc(I)ccc2Br)C1 2338333130 OZHIPISKKVFSLP-DTWKUNHWSA-N 455.159 3.552 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCC[C@H](CBr)C1 2338836343 KVWXJZHQGWYJFL-DLBZAZTESA-N 485.444 3.716 50 10 JHGE ClC[C@@H]1CO[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]12 2349830915 AHTGIVXNPLCJNP-JTNHKYCSSA-N 456.549 3.739 50 10 JHGE O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 3169767 KXZQKXSCDIRIBA-FSJBWODESA-N 469.251 3.735 50 10 JHGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1 10296047 SPIDRQQAJNXTLV-LBPRGKRZSA-N 450.358 3.576 50 10 JHGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc([N+](=O)[O-])cc1 12583649 YFRNQDHIWHYGFG-QGMBQPNBSA-N 457.078 3.649 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC 13977357 BWFQBFMYKWPCPJ-LHXVZLOVSA-N 498.388 3.513 50 10 JHGE CCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1Br 14041258 NJTPHQNTEDDCLH-UHFFFAOYSA-N 462.344 3.808 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1 14650299 NHLSVUZIAXPBNX-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384952 SQPUCTWRUSMJON-KCBMDGGTSA-N 464.334 3.845 50 10 JHGE O=C(Cc1ccccc1)NN=C1C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21 254797011 CNDMMSISSANIHH-UHFFFAOYSA-N 469.383 3.692 50 10 JHGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254871068 NDHYYZKZNVPZCE-UHFFFAOYSA-N 481.377 3.976 50 10 JHGE N[C@@H](CCSSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O 958741786 HFVYNJJFTYVQDX-VQTJNVASSA-N 490.603 3.552 50 10 JHGE O=C(CSc1nc2ccccc2[nH]1)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 1084601335 OSBXMYZGYGXPAA-UHFFFAOYSA-N 455.543 3.765 50 10 JHGE C#CCCCC(=O)NNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 1178772778 HNMAXWNOIKYEEF-QGOAFFKASA-N 453.340 3.715 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cc1 1465641575 JQFSOWYTWZGONP-KNTRGWTASA-N 459.568 3.557 50 10 JHGE CCN1C(=O)C(=NNC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(OC)ccc21 1772720330 KBUSODHSZWWTSB-UHFFFAOYSA-N 482.334 3.877 50 10 JHGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(N=[N+]=[N-])cc1B(O)O 1887551558 XQVGGBGAGAICBN-UHFFFAOYSA-N 497.364 3.683 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915152606 QOUFLZOLBULLDY-JOCHJYFZSA-N 475.010 3.912 50 10 JHGE CC(C)(C)OC(=O)NC1(C(=O)NC[C@H]2C[C@@H](Br)C2)CCN(Cc2ccccc2)CC1 1991456526 UFQXZWGXQNBNGS-KDURUIRLSA-N 480.447 3.836 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@H]1CBr 1995285639 IVTPNRWRLDFJRM-QMMMGPOBSA-N 458.919 3.663 50 10 JHGE CCOC(=O)Cc1cc(I)c(CCl)c(I)c1 2055331317 MZPWFMNHAYXGIS-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2S(=O)(=O)c1ccc(CBr)cc1 2163057027 XQHVMEHDERUDKR-SJORKVTESA-N 459.406 3.744 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](Br)C(F)(F)C1 2277923702 FZKDGYMRBMSJQP-SNVBAGLBSA-N 461.926 3.995 50 10 JHGE CC1(C)OC[C@@H](NC(=O)Cc2cc(Br)cc(Br)c2)[C@H]1Br 2295311699 NURGRYYYBXUDCM-DGCLKSJQSA-N 469.999 3.811 50 10 JHGE COc1cc(OC)cc(C(=O)NNC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1 2313682562 GCYMLNHKPQWXMJ-UHFFFAOYSA-N 474.492 3.802 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CCl)C[C@H]2CCC[C@H]21 2364202045 NTXCHIWGUKCZKE-FUHIMQAGSA-N 453.004 3.655 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Cl)CC12CCC2 2364216313 ZVOKDWHFKRGRPC-KRWDZBQOSA-N 453.004 3.799 50 10 JHGE CCC[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@H]1CBr 2364228269 KRIMQUSZRVZSRB-DTWKUNHWSA-N 472.019 3.828 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 10154341 UNRLAOIXAHLSHT-AWEZNQCLSA-N 494.411 3.568 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)cc1Br 12502657 IMUFMXFCJNJYDN-UHFFFAOYSA-N 472.364 3.625 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14654897 LSQOGUPRAMRQRE-UHFFFAOYSA-N 462.127 3.995 50 10 JHGE CCCCOc1ccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40620076 BWJQAEBAQWAPCF-UHFFFAOYSA-N 481.469 3.901 50 10 JHGE Cn1c(=O)n(C)c2cc([C@@H](Br)c3ccccc3I)ccc21 51392972 TVSHSXXLXCNOQT-OAHLLOKOSA-N 457.109 3.966 50 10 JHGE C[C@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59146415 PIESZIPQUHIILZ-RPKJYVOXSA-N 461.503 3.538 50 10 JHGE CCCOc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 59463990 OHWDXERZEVBAMW-WGOQTCKBSA-N 465.575 3.644 50 10 JHGE COc1cc(/C=N/NC(=O)c2ccccc2I)cc(Br)c1O 100437389 VULMNUYOYBIYDM-QGMBQPNBSA-N 475.080 3.532 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)c1C 109336100 PQFSQHBGOISBNC-JMUMQBGFSA-N 454.615 3.907 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccn(CCc3ccncc3)n2)c(-c2ccccc2)n1 749628871 BIMUHAQMHWFARK-OQKWZONESA-N 462.517 3.844 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1084212076 HLQCQMWQHCTCAL-UHFFFAOYSA-N 490.472 3.935 50 10 JHGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)c1cc(Br)ccc1O 1648610224 VFOJHYMDXJVNPN-NTMALXAHSA-N 459.218 3.918 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2F)CCC3)cc1 1772743927 LLJPDKMNZZNBOD-UHFFFAOYSA-N 462.481 3.581 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)C45CC6CC(CC(C6)C4)C5)c(=O)c23)C1 1860770940 CNPHGJMEYFWTJF-YIRBQWQUSA-N 468.623 3.508 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNCC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1903322158 KBMOEHLONYJFBS-INIZCTEOSA-N 465.682 3.508 50 10 JHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2CCl)CCN1C(=O)OC(C)(C)C 2044693138 HZMNAMIENJYPHG-UHFFFAOYSA-N 490.022 3.819 50 10 JHGE COCCN1C[C@H](Cc2cc(Cl)ccc2I)[C@@H](Br)C1 2100738514 QCGZGINJHPCRQY-AAEUAGOBSA-N 458.565 3.829 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1CCCC[C@@H]1Br 2123028989 HLNQMDZXIVONRK-QAPCUYQASA-N 485.444 3.572 50 10 JHGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(CBr)c1 2179789087 LQQSGTZJDNQBCD-KRWDZBQOSA-N 455.393 3.863 50 10 JHGE CO[C@H]1[C@@H](CBr)N(C(=O)c2csc(Br)c2Br)C[C@H]1OC 2233359509 DNPZDGCKPTWTFA-MRTMQBJTSA-N 492.027 3.522 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CCN(Cc2ccccc2)CC1 2305246111 ZSJBGBAHDKMYFQ-UHFFFAOYSA-N 469.673 3.602 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 2313743415 CTERQTGJIWXBGE-UHFFFAOYSA-N 461.543 3.623 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCCCC[C@H]1Br 2338852211 MCSYIKGFGRWHCY-MOPGFXCFSA-N 485.444 3.859 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCCCC[C@@H]1Br 2338852212 MCSYIKGFGRWHCY-OALUTQOASA-N 485.444 3.859 50 10 JHGE N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)c1 2343457661 ANHQKIWWYBNPEF-MRXNPFEDSA-N 457.777 3.860 50 10 JHGE COCCN1C[C@@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)C1 2349839144 ZDLQEJQLBKAIPE-DGCLKSJQSA-N 458.565 3.782 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370249011 BQJLBAOIKAHMBH-IMTBSYHQSA-N 457.131 3.990 50 10 JHGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)c1 10510607 YZWSXXBZPPXYTK-UHFFFAOYSA-N 477.586 3.639 50 10 JHGE O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 12572128 IIODKFRKEKSULY-UHFFFAOYSA-N 498.402 3.682 50 10 JHGE CCCn1nc(C(=O)NNC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2c1=O 15947419 OJASPWZSLWTNSA-CSKARUKUSA-N 478.858 3.953 50 10 JHGE Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 27772160 JMXAUJJJSOYDRH-UHFFFAOYSA-N 457.939 3.832 50 10 JHGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccccc4[N+](=O)[O-])ccc3[nH]2)cc1OC 169925482 SVWUQVSABZFGFI-QFEZKATASA-N 459.462 3.843 50 10 JHGE COC(=O)/C(C#N)=C\c1ccc(C(c2cccc([N+](=O)[O-])c2)c2ccc(/C=C(/C#N)C(=O)OC)[nH]2)[nH]1 198757517 XLNVWSXNILGVFI-APGQMXJTSA-N 485.456 3.591 50 10 JHGE O=S(=O)(c1c(Cl)cccc1Br)N1CCS[C@@H](CCBr)C1 719993240 XTUKTBIHIKSTST-VIFPVBQESA-N 463.644 3.994 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)c1 727500215 RCCAJKGQFHTWNU-UHFFFAOYSA-N 451.983 3.993 50 10 JHGE COc1cccc(N2CC[C@@H](NC(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)C2)c1 728221037 MVEWYKNSLSJLIO-HXUWFJFHSA-N 478.524 3.636 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c(-c2ccccc2)n1 914462210 BWPQGRJNZDBSNH-CVMWMZFYSA-N 498.562 3.700 50 10 JHGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c1 1084087174 XBSDWELJZKWACN-UHFFFAOYSA-N 454.914 3.854 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 1084247858 GRJBZMHFNNFDEH-UHFFFAOYSA-N 463.490 3.737 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(C)cc2)c1C)S(C)(=O)=O 1084414213 SZTDYJXBBOOFKJ-UHFFFAOYSA-N 482.606 3.718 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Br)cc2Cl)cc1 1465085311 QDMPLDCDGLKPOP-NSHDSACASA-N 454.708 3.925 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(Cl)ccc2I)c1 1644837804 ALSWWDAGOMTDFP-UHFFFAOYSA-N 455.708 3.557 50 10 JHGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 1649393529 KQXFWWPOZIXSSD-UHFFFAOYSA-N 455.474 3.599 50 10 JHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858960991 GROLDCBJTIXXPP-UHFFFAOYSA-N 495.922 3.717 50 10 JHGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873941137 YBIAJCNNKCXEKT-VKAVYKQESA-N 477.414 3.715 50 10 JHGE O=C(c1cc(I)sn1)N(CCBr)Cc1ccccc1 1880567422 JWPCBQVRYCMIKS-UHFFFAOYSA-N 451.127 3.785 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCCOCCOCc2ccccc2)C1 1881765229 QKUSHEGANIRPJZ-QZTJIDSGSA-N 491.366 3.659 50 10 JHGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1C[C@H]1Br 1893149056 ZAYUWVPDRCRWAR-HPBDAGMYSA-N 455.393 3.727 50 10 JHGE CCN1CC[C@@H]([C@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2089530307 FYMHGLZTFJKEPF-NWDGAFQWSA-N 478.577 3.758 50 10 JHGE CC[C@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2114190863 WWKQPZHFZGYVEH-RBUKOAKNSA-N 485.444 3.811 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCO[C@@H](CCBr)C1 2116238376 LAZFMNAITPZNEY-JTQLQIEISA-N 458.521 3.571 50 10 JHGE C[C@@H](Br)[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CCO1 2117534745 VCXBRUQBQUNZLT-PRHODGIISA-N 458.521 3.569 50 10 JHGE BrCc1nnc2n1CCN(Cc1cccc(Br)c1Br)C2 2171799283 BCOOOOYNINYLBC-UHFFFAOYSA-N 464.987 3.714 50 10 JHGE CCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cc1CBr 2179784967 GHDQQFNMKMHKED-UHFFFAOYSA-N 454.434 3.688 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC[C@@]2(C[C@H](Cl)CO2)C1 2201783011 YTOZJSQGQYAMGX-IINYFYTJSA-N 470.532 3.666 50 10 JHGE O=C(Nc1ccc(I)cc1)N1C[C@H](Br)[C@@H](Br)C1 2214554976 AKTQINRERGGQAL-UWVGGRQHSA-N 473.934 3.666 50 10 JHGE O=C(O)C[C@@H](Br)C(=O)c1c(F)cc(Br)c(F)c1Br 2259977290 VQWLWYXJSQYFEF-SCSAIBSYSA-N 450.855 3.911 50 10 JHGE COc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)cc(Br)c1OCc1ccccc1 2295146376 YZCYZDDMFBKEGB-UHFFFAOYSA-N 494.349 3.744 50 10 JHGE CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 2297736210 SPNVVRCTCNPVDJ-UHFFFAOYSA-N 466.582 3.760 50 10 JHGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325272684 GSVBRYZNPUVBKS-UHFFFAOYSA-N 450.514 3.951 50 10 JHGE C[C@@H](Br)CN(C1CCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338833670 OZWYYGQCFVNTKT-MRXNPFEDSA-N 485.444 3.811 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC([C@@H](F)CBr)CC1 2364022292 OBBQPBUEFWAMAJ-QMMMGPOBSA-N 475.982 3.530 50 10 JHGE CS(=O)(=O)[C@H]1C[C@@H](CO[C@H](CI)c2cccc(Br)c2)C1 2381023052 HZPQHMPSMXFEGB-DDTOSNHZSA-N 473.170 3.765 50 10 JHGE CCOCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 9819870 CPLOXQOEYAFQIN-UHFFFAOYSA-N 461.518 3.737 50 10 JHGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 13981361 GBDFHGJWARXAAN-VMPITWQZSA-N 458.754 3.761 50 10 JHGE CCCOc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 33929485 XVEGNCMHBLUZMN-HDFLIFARSA-N 468.579 3.846 50 10 JHGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40646190 WRSATLSUEDPPQU-UHFFFAOYSA-N 477.264 3.963 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40813946 VNJBEGYKOLGMEA-ZTKZIYFRSA-N 475.524 3.555 50 10 JHGE O=C(Oc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1)c1ccccc1 169924066 ZSTMNXZIQCJANN-JFLMPSFJSA-N 456.433 3.971 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 217130384 XLZNGZONNBSFLQ-PEZBUJJGSA-N 479.389 3.654 50 10 JHGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Oc1cccc2cccnc12 254707027 LSJWHEKZWPZNDQ-HNNXBMFYSA-N 452.308 3.927 50 10 JHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NC[C@H]1CCCO1)[C@@H]2Br 256019348 VTNCBLXOCIJVGT-RPVFDAQASA-N 488.058 3.967 50 10 JHGE COc1ccc(OCC(=O)NN=C2C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3ccccc32)cc1 263628913 IPDCVXXNSMFTCE-DEOSSOPVSA-N 499.571 3.521 50 10 JHGE O=C1[C@@H](Br)CCCN1c1ccc(Br)c(I)c1 300897653 JCLHXTMTWLEYIT-VIFPVBQESA-N 458.919 3.944 50 10 JHGE Clc1ccc(I)c(CN[C@@H]2CCCN(CCBr)C2)c1 405356378 YJXXYNYHPVEFIG-CYBMUJFWSA-N 457.581 3.894 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cc(CCl)oc1Br)C2 702080274 GLFFGJISSPXYNC-KXBFYZLASA-N 473.820 3.924 50 10 JHGE Cc1ccc(NCC(=O)NNC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)c(C)c1 728205197 QRCIZHHLTPKJPK-UHFFFAOYSA-N 453.974 3.870 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)c(C)n1-c1ccc(F)cc1 747162719 IDNANAZGGXWNFE-IUZFBFHQSA-N 489.473 3.830 50 10 JHGE Cc1csc2nc(Cl)c(/C=N/NC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)n12 1860773773 DYUJKCHQHRBEPL-FIYFDFCOSA-N 489.026 3.965 50 10 JHGE N#CCc1c(I)cc(I)cc1CBr 2060169603 OVGLKPODZHBWOW-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE CO[C@@]1(CBr)CCCN(c2ncc(I)cc2Br)C1 2069529283 PCRJRFVXFUZEPT-GFCCVEGCSA-N 489.977 3.829 50 10 JHGE O=C(NC[C@H]1C[C@@H](Cl)CCO1)c1cc(I)ccc1Br 2097937687 HNYRRIJDUSOSBB-WCBMZHEXSA-N 458.521 3.570 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC[C@H](CBr)C2CCC2)CC1 2107389092 GZDHMAKXKSKINZ-YHAMSUFESA-N 452.459 3.753 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC2(CCC2)C[C@@H]1CBr 2151514869 BHPWQYYREUUPHR-LLVKDONJSA-N 450.114 3.777 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2196362762 YIPNUMXZGLDEPW-GDBMZVCRSA-N 461.422 3.799 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[C@H]1Br 2221691394 ZRZQRMXWZFWDRF-NWANDNLSSA-N 476.209 3.785 50 10 JHGE COC(=O)c1ccsc1NC(=O)C(C#N)=Cc1cc(Br)c(OC(C)=O)c(OC)c1 2297616586 DIKVPDJYXIPWSP-UHFFFAOYSA-N 479.308 3.777 50 10 JHGE O=S1(=O)CC[C@@H]([C@@H](CBr)Cc2ccc(Cl)cc2I)C1 2341026854 FHLRRCMHGIKOJV-GHMZBOCLSA-N 477.589 3.933 50 10 JHGE N#C/C(=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1)C(=O)OCc1ccccc1 9415975 WLCDBERYTAHMGL-LDADJPATSA-N 479.334 3.838 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(OC)cc2)cc1Br 14041441 KMSORTQMVXXNLS-UHFFFAOYSA-N 494.411 3.515 50 10 JHGE O=C(NNc1ncnc(N2CCCc3ccccc32)c1[N+](=O)[O-])c1ccccc1Br 40647536 WSEQHBQMIRIUFZ-UHFFFAOYSA-N 469.299 3.989 50 10 JHGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 48572418 YAEJCNAOHDPVFV-OKCVXOCRSA-N 485.519 3.957 50 10 JHGE CC(=NNC(=O)c1ccccc1O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 254521805 SHGKYZRZNJBFRZ-UHFFFAOYSA-N 463.406 3.615 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1cc(OC)ccc1OC 1084059926 ARYJMISCBGLRDC-QGZVFWFLSA-N 480.594 3.724 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1 1465207741 MHMBJCZULYQFBZ-CYBMUJFWSA-N 452.433 3.594 50 10 JHGE C=CC(C)(C)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1687156628 MUKOSUKXRSJUPY-UHFFFAOYSA-N 458.584 3.651 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4cccc(Br)c4)c(=O)c23)cc1 1860770287 BMBNAJPUNXEQOP-UHFFFAOYSA-N 497.374 3.657 50 10 JHGE C[C@@H](C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860772162 SXTGXZSZZJJUPG-JTQLQIEISA-N 465.362 3.666 50 10 JHGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1OC 1865759684 MUMQLXSBFMUQCQ-VZUCSPMQSA-N 453.445 3.827 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCCOc4cccc(C)c4)c(=O)c23)cc1 1865845491 SWBNYWXDAPIUEH-UHFFFAOYSA-N 490.585 3.748 50 10 JHGE Cn1cnc(CC(CBr)(CBr)c2ccc(Br)cc2)n1 1892604693 RBBNVACPOPKKAN-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE CC(CBr)(CBr)NC(=O)c1cc(I)ccc1F 2003648824 CEWWGYRHIOTKKZ-UHFFFAOYSA-N 478.925 3.709 50 10 JHGE O=C(C=Cc1cccc(F)c1)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 2040436538 RQBNCCCDZCSQMD-UHFFFAOYSA-N 486.591 3.784 50 10 JHGE COC(=O)Cc1cc(I)cc(CBr)c1OC(F)(F)F 2055366020 SFDCNVQREONTKK-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE O=C(NC[C@@H](Cl)C(F)(F)F)c1ccc(I)c(Br)c1 2077146167 IVWONNNMCHGQNI-MRVPVSSYSA-N 456.427 3.953 50 10 JHGE BrCCCO[C@H]1CCN(c2ncc(I)cc2Br)C1 2085963928 REGZTAGHNVGZAK-JTQLQIEISA-N 489.977 3.829 50 10 JHGE Brc1cccc(CN2CCN3C[C@H](Br)C[C@H]3C2)c1Br 2092327602 CRZRBJXKXLUHGK-NEPJUHHUSA-N 453.016 3.865 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1Cc1ccc(I)c(Cl)c1 2142949629 LJBURFAVRRPZNQ-NWDGAFQWSA-N 457.581 3.844 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2143979384 WVXAJQZTOBALTN-CDMKHQONSA-N 450.114 3.775 50 10 JHGE O=S(=O)(c1occc1CBr)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179830469 LQZWGZICBAKOKA-OALUTQOASA-N 453.402 3.850 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Cl)c1cc(I)ccc1Br 2206485719 JJOMVDJOVHJIRQ-NEPJUHHUSA-N 470.532 3.712 50 10 JHGE Cc1cc(C(=O)N2CCC[C@@H](OCCBr)C2)ccc1I 2207107035 HGKQVQLJIDRCNL-CYBMUJFWSA-N 452.130 3.616 50 10 JHGE CO[C@@H]1[C@H](OC)CN(C(=O)c2cc(Br)sc2Br)[C@H]1CBr 2233356432 PSNNDGBRWZRHFG-XKSSXDPKSA-N 492.027 3.522 50 10 JHGE N#CC(=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)c1nc2ccccc2s1 2314435437 COWGEVXKKNBJAG-UHFFFAOYSA-N 471.542 3.712 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1OC 2314617653 NOVCFIQKZASCJL-UHFFFAOYSA-N 454.486 3.779 50 10 JHGE COCCN(C[C@H](C)Br)C(=O)c1ccc(Cl)cc1I 2340061254 LWUZLAOFXAAXGK-VIFPVBQESA-N 460.537 3.817 50 10 JHGE Cn1ncc(I)c1-n1c(CCl)nc2cc(I)ccc21 2353546430 FIUPBKBISSAAOB-UHFFFAOYSA-N 498.493 3.707 50 10 JHGE C[C@@H]1CCC[C@](CCl)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364216640 PVTUFLFBEAQORU-VGSWGCGISA-N 455.020 3.950 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999190 YMKUKKCNUJFXBT-IBGZPJMESA-N 499.633 3.557 50 10 JHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(C)=O)cc2)cc1 14029085 QMMWCEMOHKUKAB-UHFFFAOYSA-N 456.568 3.553 50 10 JHGE COc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1Br 169919882 NSMYDNJYGCMKBJ-CFRMEGHHSA-N 454.324 3.740 50 10 JHGE O=S(=O)(c1ccc(Br)cc1)N1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]21 222336486 WHFUCXONOBAOPD-NXZAQOKZSA-N 474.012 3.511 50 10 JHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)ccc1O 254380959 QLCPEQPWLVUFDW-UHFFFAOYSA-N 474.542 3.651 50 10 JHGE COc1cc(C=NNC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1cccnc1 254506681 YBNNXKGGOPMDDJ-UHFFFAOYSA-N 472.423 3.890 50 10 JHGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 254815374 RGBRNXPPRGCEBW-UHFFFAOYSA-N 481.377 3.733 50 10 JHGE Cc1cccn2c(=O)c(C=NNC(=O)c3ccncc3)c(Sc3nc4ccccc4s3)nc12 254824233 KIFNOQSJEKQPIB-UHFFFAOYSA-N 472.555 3.923 50 10 JHGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC#N 1084054314 XWVNSBZYMUVITN-PTGBLXJZSA-N 456.546 3.972 50 10 JHGE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 1857777555 YNNURTVKPVJVEI-XGIDNMABSA-N 455.378 3.736 50 10 JHGE COc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C 1873794348 FGABXIKECIJHDS-VFKKPVCESA-N 479.169 3.584 50 10 JHGE CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1cc(B(O)O)cc(C(=O)OC(C)(C)C)c1 1887511887 VOPZVLFTSMPNSM-UHFFFAOYSA-N 473.334 3.707 50 10 JHGE Clc1cc(CNCCOCCCI)ccc1I 2026563558 LGULMWJQCVZJEF-UHFFFAOYSA-N 479.527 3.876 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1ccc(Br)cc1Br 2076260558 YZGNGUMREWMIMA-CBAPKCEASA-N 462.001 3.616 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCSC[C@@H]1CCl 2086148613 DBQHQUJIVQGCLQ-VIFPVBQESA-N 460.562 3.850 50 10 JHGE C[C@@]1(CBr)C=CCN1c1ncc(I)cc1Br 2211789063 YJSQWYKHHBJSTH-NSHDSACASA-N 457.935 3.979 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@@H]2CCN(Cc3ccccc3)C2)C1 2242049435 KWBQMJBJVRYWEZ-FGTMMUONSA-N 472.367 3.700 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NCCCCI)C1(C)C 2243586075 KWLJVXMVYASPQO-ZLOXQWCVSA-N 458.406 3.993 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)[C@H](Br)C1 2301791495 FOJSSPFEHHYVIU-DTORHVGOSA-N 493.364 3.927 50 10 JHGE COc1cc(Br)cc(C=NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1O 2323759263 DTHHITIQLASWKX-UHFFFAOYSA-N 455.312 3.602 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@]1(C)CBr 2338844343 ZWEXMPWGJCLPOU-IIBYNOLFSA-N 485.444 3.526 50 10 JHGE CC[C@H](C)[C@H](CI)NC(=O)Cc1ccc(OC)cc1Br 2364184738 QPTZVSBDVFZEEB-HZMBPMFUSA-N 454.146 3.966 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@H](CCBr)CC1 2364229059 VDRTVNNRRNOGBM-SECBINFHSA-N 472.019 3.972 50 10 JHGE CCOc1cc(CBr)ccc1OCc1nn(C)cc1I 2367608665 SGMCVXFCPRPFGI-UHFFFAOYSA-N 451.102 3.897 50 10 JHGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(O)cc1O 12483542 DNUUEGNRPLMMLR-JMIUGGIZSA-N 472.133 3.850 50 10 JHGE O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 12571999 PCMIOPHHYMROCC-UHFFFAOYSA-N 484.375 3.831 50 10 JHGE CCCCOc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 20449280 OXPZZLMOXWPMDE-BYEGDDEQSA-N 482.606 3.921 50 10 JHGE CCOc1ccc(/C(C)=N\NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 59372573 CUELEELNAQAYET-XHPQRKPJSA-N 481.574 3.830 50 10 JHGE CCOc1cc(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)ccc1OC 169927852 VFKMNGHHXVUFNP-YSMPRRRNSA-N 457.490 3.838 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1cc(C)ccc1C 207217976 KRJHOTSVKMMFBW-JWGURIENSA-N 478.545 3.842 50 10 JHGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 217202205 BZKZDGUHTNLKCI-KQRQPNSISA-N 461.518 3.835 50 10 JHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccs2)c2ccc(C)cc2)cc1 254852113 UJIMRNKCZDIROB-UHFFFAOYSA-N 457.577 3.801 50 10 JHGE aggregator CC1(C)C[C@H](Br)C[C@@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703966187 CVQJWLFOWJCDFH-HUUCEWRRSA-N 485.444 3.570 50 10 JHGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 727402259 GKYAHXIAFOZDJM-LTGZKZEYSA-N 482.544 3.693 50 10 JHGE O=C(NN=Cc1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Cl)c(Cl)c1 1084356856 ZFJWYDOUIBDUKH-UHFFFAOYSA-N 459.083 3.573 50 10 JHGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H]1CNC(=O)OC(C)(C)C 1260505312 ZMEFOEBAAXWUJY-ZBFHGGJFSA-N 461.422 3.753 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H]2CCN(S(=O)(=O)c3ccc(CBr)cc3)C[C@H]21 1260505771 PGNZPQVHFPNWMN-NVXWUHKLSA-N 459.406 3.602 50 10 JHGE C[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1914666858 KOHOALUFKKSWAS-KRWDZBQOSA-N 462.999 3.768 50 10 JHGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1915085194 XJZVGGIOULWENN-GOSISDBHSA-N 493.423 3.678 50 10 JHGE CC[C@@]1(CBr)COCCN1c1ncc(I)cc1Br 2069525917 ODJYZFFLSOPCMO-GFCCVEGCSA-N 489.977 3.829 50 10 JHGE Cc1cc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)sc1CBr 2131198016 MTQORTRLPZWQFI-IRXDYDNUSA-N 455.443 3.846 50 10 JHGE CCCN1CC[C@H]([C@@H](Br)c2cccc(C)c2I)S1(=O)=O 2145765440 BLTOWXPEFNHSLC-OLZOCXBDSA-N 472.186 3.850 50 10 JHGE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H](C)N1S(=O)(=O)c1ccc(CBr)cc1 2163056479 SDTUHPZKLYSPDQ-KFWWJZLASA-N 461.422 3.988 50 10 JHGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCCBr)cc1 2179858885 VILKSLZGCABOLI-HXUWFJFHSA-N 451.430 3.909 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(S(=O)(=O)c1ccc(CBr)o1)C2 2179865852 YCDOEJJFYFGLAQ-PMACEKPBSA-N 453.402 3.707 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Cl)c1cc(Br)ccc1I 2206488331 RVVFABGQSHZIEG-VXGBXAGGSA-N 470.532 3.712 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 2313890310 HMNIECMRBAAYIR-UHFFFAOYSA-N 459.571 3.953 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1OC 2314737567 XQXDLQAXJYPMPU-UHFFFAOYSA-N 462.458 3.505 50 10 JHGE COc1ccc2[nH]cc(C=NNC(=O)Cn3cnc4scc(-c5ccccc5)c4c3=O)c2c1 2325903687 TYTPBPUVFQTSLK-UHFFFAOYSA-N 457.515 3.765 50 10 JHGE Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 15857764 FQOIHBIBJUBMOX-DBTPVHCXSA-N 456.905 3.660 50 10 JHGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)cc1[N+](=O)[O-] 34897440 GLKIZJAJAMWCMX-XMHGGMMESA-N 475.505 3.906 50 10 JHGE COc1ccc(NC(=O)NNC(=O)COc2c(Br)cc(F)cc2Br)cc1 39892049 SBSHGNYZWGVATQ-UHFFFAOYSA-N 491.111 3.591 50 10 JHGE Cn1c(=O)n(C)c2cc([C@@H](Br)c3cccc(I)c3)ccc21 51393078 GCEQIORCUWWVNF-HNNXBMFYSA-N 457.109 3.966 50 10 JHGE O=C(NN=C/C=C\c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254510958 PAQMUEGKLJUSJK-QFLANMGZSA-N 484.468 3.910 50 10 JHGE CCOC(=O)Cc1ccc(I)c(I)c1CCl 2055333348 BEEDDAJATKBYJA-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE O=C(NC[C@@H]1CCC2(CCC2)[C@@H]1Br)c1cc(I)sn1 2120030676 DNVURONDZULLQL-GZMMTYOYSA-N 455.159 3.821 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(C)c1 2179785476 MVZNBAAEHOMTDP-UHFFFAOYSA-N 456.402 3.744 50 10 JHGE O=C(Cc1ccccc1I)NCC1(CBr)CC(F)(F)C1 2281659963 KIDCCNLYCWGJRH-UHFFFAOYSA-N 458.084 3.760 50 10 JHGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C[C@H]4CCCO4)C(=O)C(C#N)=C3C)o2)cc1 2314618598 QECDLIASNAADCC-HXUWFJFHSA-N 460.486 3.895 50 10 JHGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 2314737328 YRRNURCOBVQDAR-UHFFFAOYSA-N 487.468 3.811 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2330878788 NVQFEJOKBMHTKF-ZXFLCMHBSA-N 474.012 3.755 50 10 JHGE Clc1ccc(I)cc1CC[C@H](Br)CN1CCOCC1 2352428731 YIQVUUGBQPAEBS-LBPRGKRZSA-N 458.565 3.973 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC2(C1)OCCC[C@H]2Br 2365597141 ZOFVULRIBXKZKP-GFCCVEGCSA-N 470.532 3.713 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(F)cc2)c(Br)c1 12403550 QCSLIUFYNRUOHW-UHFFFAOYSA-N 482.375 3.600 50 10 JHGE COc1cc(OC)c(/C=N/NC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1Br 12581089 ADPPQRWFQSLCHO-FSJBWODESA-N 462.344 3.952 50 10 JHGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 14660484 IZDMOLYQVJQQGI-UHFFFAOYSA-N 492.395 3.750 50 10 JHGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1 20837092 ZTRLNSHVFVHUBZ-DHRITJCHSA-N 475.578 3.843 50 10 JHGE Cc1ccccc1OCCn1cc(/C=C(/C#N)C(=O)N2CCC(C(N)=O)CC2)c2ccccc21 33932586 KNGQFNKAOAKOAG-PGMHBOJBSA-N 456.546 3.660 50 10 JHGE CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCOCC3)c2C)sc2c1CCCC2 34703874 XDAWHCZGSTWAKE-RGEXLXHISA-N 467.591 3.977 50 10 JHGE COc1ccc(C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1OC 725436022 VKUMVSMFOXXOGW-UHFFFAOYSA-N 451.454 3.624 50 10 JHGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2scnc2C)c1 729452783 HOHHXTBCHZTQHQ-UHFFFAOYSA-N 490.994 3.561 50 10 JHGE COc1c(F)cc(Br)cc1S(=O)(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 730765147 FNVSHKSECZTPBS-UHFFFAOYSA-N 459.337 3.518 50 10 JHGE Nc1c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cccc1[N+](=O)[O-] 1614633033 OXGMJWMKOHEWMN-GOEBONIOSA-N 481.290 3.964 50 10 JHGE CC(=O)N1C[C@@H](CI)[C@H](c2cc(Cl)ccc2I)C1 1614643204 QEMRKURMNNQDSE-BXKDBHETSA-N 489.522 3.942 50 10 JHGE C=CCn1c(SCC(=O)NNc2ncc(F)cn2)nnc1-c1ccc(Cl)cc1Cl 1630769385 JMRBTEUSXYTUAT-UHFFFAOYSA-N 454.318 3.602 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2ccc(C(C)(C)C)cc2)cc1 1632536376 QJBZPKZOKSQQOY-JOCHJYFZSA-N 457.596 3.873 50 10 JHGE C=CCC1(CNC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CCCC1 1682501112 RBTCCLUNNHQQBX-UHFFFAOYSA-N 459.550 3.525 50 10 JHGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCN(C)CC5)c(C)c43)coc2c1C 1772751486 DGDUTKLQUYAEMN-UHFFFAOYSA-N 476.577 3.738 50 10 JHGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc(Br)c1O 1873794747 YQBAPIOXTNRDMH-SGVISILNSA-N 472.380 3.943 50 10 JHGE COC(=O)c1cc(Br)cc(Br)c1NC(=O)[C@H]1C[C@H]1Br 1887725990 WCOBJCXODAPKBJ-POYBYMJQSA-N 455.928 3.720 50 10 JHGE Cc1sc(-n2cnc(I)c2I)nc1CCl 1961708159 MMDAEAMUJFPUFI-UHFFFAOYSA-N 465.485 3.585 50 10 JHGE CN(C)CC(C)(C)CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2021407703 PEIKIIVHUMAQPZ-GOSISDBHSA-N 454.393 3.796 50 10 JHGE CCOc1c(I)cc(C(=O)CCl)cc1I 2060137009 MIJVTPHJCRAENA-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE CCc1nn(C)c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)c1Br 2072299853 CMVCEJFRKURPBP-AWEZNQCLSA-N 473.209 3.797 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1Cc1cc(Cl)ccc1I 2122374143 HYOALVAOIFXPMC-DGCLKSJQSA-N 457.581 3.844 50 10 JHGE C[C@]1(C2CC2)CN(S(=O)(=O)[C@@H]2CC[C@@H](CBr)C2)CCN1Cc1ccccc1 2179827066 AFXXVRDWOFAKLH-HMXCVIKNSA-N 455.462 3.866 50 10 JHGE BrC[C@@]12CCCO[C@H]1CN(c1ncc(Br)cc1Br)C2 2230617985 JMXGTSINMPYJQM-WCQYABFASA-N 454.988 3.987 50 10 JHGE Cn1nc(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)c1Cl 2303544688 HGACAGBOZZSVET-LBPRGKRZSA-N 479.600 3.936 50 10 JHGE CCOc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OC 2320727272 FXPBJGFICSSJQJ-UHFFFAOYSA-N 462.531 3.683 50 10 JHGE C[C@@]1(CCBr)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338849670 KQMATDLOGHIUGJ-OAQYLSRUSA-N 485.444 3.670 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1 13986812 HVZRLWIIWVKLJY-UHFFFAOYSA-N 462.344 3.726 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38683438 CYTQKOSXQAALJK-RUZDIDTESA-N 470.481 3.984 50 10 JHGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1cccc2ncccc12 40784976 VLUNVEANHZBWCP-UHFFFAOYSA-N 450.300 3.870 50 10 JHGE C=CCn1c(SCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1cccnc1 58987157 IXDLSTZUVHLMRN-SSDVNMTOSA-N 457.357 3.531 50 10 JHGE N#C/C(=C/N1CCN(C(=O)c2ccco2)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250604 YMABRRSFFOIYQG-SEYXRHQNSA-N 452.820 3.756 50 10 JHGE O=C(COc1ccc(Cl)cc1)NCC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 252642566 ZNXKIDWHUQARAZ-UHFFFAOYSA-N 491.287 3.807 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccco3)nc3ccccc3c2=O)cc1 254578861 XHTFSDQZKLVXPE-ZVYIQZSDSA-N 460.515 3.895 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cc(Br)cnc2O)c(-c2ccccc2)n1 726939362 DTZYTPCUMBDNFA-DHDCSXOGSA-N 463.295 3.873 50 10 JHGE O=C(NNc1ccc(F)c(F)c1F)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1 728716799 FIRDSJQHHRRCTG-UHFFFAOYSA-N 460.412 3.988 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCc2c(F)cccc2Cl)cc1 782550301 BSGGZAJOIAACCW-WJDWOHSUSA-N 482.899 3.877 50 10 JHGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 1084309835 COEWBWHLUQAZBK-UHFFFAOYSA-N 465.481 3.901 50 10 JHGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 1562929085 GWGJZOBEFUFZHO-GFCCVEGCSA-N 452.280 3.773 50 10 JHGE CS(=O)(=O)c1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1 1614619226 SHBNRJBCTZQHER-IEBWSBKVSA-N 455.361 3.741 50 10 JHGE C[C@H](C(=O)NNC(=O)CCCc1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771700 FBKHJTKAMNIDPU-CQSZACIVSA-N 472.998 3.722 50 10 JHGE CCOc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccc(C)cc1 1873793415 CDEQXUMPMKLNON-RWPZCVJISA-N 486.528 3.539 50 10 JHGE C[C@H](Br)[C@@H]1C[C@@H]1NC(=O)c1ccc(I)c(Br)c1 1908476000 NUGLKJJPYOTKGO-RASWFIQWSA-N 472.946 3.955 50 10 JHGE O=C=Nc1c(I)cc(OC(F)(F)F)cc1I 2060037152 XRESLPKRQYNTFF-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1cc(Br)sc1Br 2072947766 UHXGQXCQVLIELX-XPUUQOCRSA-N 462.001 3.803 50 10 JHGE CCN(C[C@](C)(CI)O[C@@H]1C2CCN(CC2)[C@@H]1C)C(=O)OC(C)(C)C 2077344105 SAOAHRZVUDGTPM-ALKREAHSSA-N 466.404 3.936 50 10 JHGE CCN(C[C@](C)(CI)O[C@H]1C2CCN(CC2)[C@H]1C)C(=O)OC(C)(C)C 2077344106 SAOAHRZVUDGTPM-GMBSWORKSA-N 466.404 3.936 50 10 JHGE CN(C)C[C@@H](Br)CN(C)C(=O)c1c(Br)cccc1Br 2094094982 HYNYWZJDNNKNHK-SECBINFHSA-N 457.004 3.609 50 10 JHGE O=C(OCc1ccccc1)N1CCC2(CC1)CCN2S(=O)(=O)CCC(CCl)CCl 2106775476 YHAXQTJLTPEUJW-UHFFFAOYSA-N 463.427 3.677 50 10 JHGE CCOC1(CBr)CN(C(=O)c2cc(Cl)ccc2I)C1 2116389262 VCCCBTKKILMDIH-UHFFFAOYSA-N 458.521 3.571 50 10 JHGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(C)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2179820469 YHCHXUMWZFNTFS-WMZOPIPTSA-N 456.406 3.617 50 10 JHGE Cc1ccc(C(=O)N[C@H](CBr)C[C@@H]2CCOC2)cc1I 2232839069 OZOGDJPSHBBNOA-AAEUAGOBSA-N 452.130 3.520 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2CCO[C@@]2(CBr)C1 2283665715 WXWSHMFYINACJV-YGRLFVJLSA-N 470.532 3.571 50 10 JHGE O=C(N[C@@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(I)ccc1O 2283932833 LAYKGLNRLATHMU-AMJWSMQMSA-N 450.114 3.680 50 10 JHGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)[C@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)c1 2314760313 KPRWNTUHSUOFDL-AOMKIAJQSA-N 460.486 3.773 50 10 JHGE O=C(NN=Cc1c(Cl)cccc1Cl)[C@@H](Sc1nnc(O)nc1O)c1ccccc1 2323176821 KYMYZNCWUGEENQ-AWEZNQCLSA-N 450.307 3.573 50 10 JHGE Cl[C@@H]1[C@@H]2COC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349857370 PRECSFJAEMVJAL-YABSGUDNSA-N 456.549 3.739 50 10 JHGE C=CC[C@]1(CCl)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364190105 JHBBFCLULPOFID-JOCHJYFZSA-N 453.004 3.680 50 10 JHGE CC1(C)C[C@H](CBr)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364204208 CHIHUOFKKQTIPF-QGZVFWFLSA-N 499.471 3.916 50 10 JHGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1ccc(Cl)cc1I 2365593341 TZLLWQHZVPPGJC-ONGXEEELSA-N 472.548 3.865 50 10 JHGE Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccc(N(C)C)cc1 1960432 BSOGQQLOKDHSNZ-LPYMAVHISA-N 478.334 3.535 50 10 JHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039525 OCQSGIMUTDHBAO-UHFFFAOYSA-N 461.518 3.814 50 10 JHGE Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1cc(Br)ccc1OCC(=O)O 15018471 OJBZOPOIRMHSQE-AUEPDCJTSA-N 463.328 3.873 50 10 JHGE COc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1Br 31829116 GWQIVQWUOQIEFB-RPXFMWLUSA-N 489.395 3.504 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 38683231 YIRYXMHOKCSIFP-HSZRJFAPSA-N 456.454 3.919 50 10 JHGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1nc2ccccc2s1 40761073 HRRMICZHOYCKOL-UHFFFAOYSA-N 456.329 3.932 50 10 JHGE CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)cc1 103697328 FKDUERMTYGPIEX-QINSGFPZSA-N 469.548 3.542 50 10 JHGE COc1ccccc1N(CC(=O)NN=C(C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 254478995 QBQNEKHEZSPTGO-UHFFFAOYSA-N 455.511 3.570 50 10 JHGE O=C(NN=Cc1ccc(O)c(O)c1)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 254769483 PAAMURWQHGLORI-UHFFFAOYSA-N 480.329 3.969 50 10 JHGE O=S(=O)(N[C@@]1(CBr)CCOC1)c1c(Cl)cc(Br)cc1Cl 393929831 HGHJGZMAXGSSSF-LLVKDONJSA-N 467.994 3.588 50 10 JHGE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NN(c2ccccc2)c2ccccc2)C1 755712340 NADUHUOOZZXBJX-LJQANCHMSA-N 454.552 3.562 50 10 JHGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNc2ncccc2C(=O)OC(C)(C)C)cc1 1214914373 LXFBDEXQBPHXIK-UHFFFAOYSA-N 451.527 4.000 50 10 JHGE Cc1c(C(=O)N2CCOCC2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749587 NFVMDEJRYAKLGS-UHFFFAOYSA-N 480.348 3.603 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(Cc1ccccc1)C1(CCl)CCC1 1915766333 YNEMABOHESOCKZ-UHFFFAOYSA-N 460.983 3.666 50 10 JHGE C[C@@H]([C@@H](Br)c1ccc(I)c(Cl)c1)S(=O)(=O)N(C)C 2029075543 RRICVUOZKIHNII-WRWORJQWSA-N 466.566 3.661 50 10 JHGE CCN1CC[C@H]([C@@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2089530306 FYMHGLZTFJKEPF-NEPJUHHUSA-N 478.577 3.758 50 10 JHGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)cc1 2179786903 HPFNMAMJAPWAIA-HXUWFJFHSA-N 451.430 3.909 50 10 JHGE CN(C[C@@H](F)C(F)(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179793091 OVEXICMCTFZMTG-SSDOTTSWSA-N 463.110 3.926 50 10 JHGE CN1CC[C@](C)(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2253325792 CGOJEUQHSADMRJ-ROUUACIJSA-N 452.377 3.550 50 10 JHGE C[C@@H](Br)CN(CCC(C)(C)C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2259734508 UACGJJUXSSZMDF-OAHLLOKOSA-N 473.433 3.524 50 10 JHGE CCOC(=O)c1cc(Br)ccc1-c1ccc(C=C2C(=O)NC(=O)C(C#N)=C2C)o1 2297311075 ZYJIZELRGYIMAZ-UHFFFAOYSA-N 455.264 3.766 50 10 JHGE CC(C)(C)[C@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821042 ANPOKTFRWPPOND-QGZVFWFLSA-N 473.433 3.572 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2N(CCOCCI)C1 2326644787 CRCJJFACCCXEAG-OAHLLOKOSA-N 460.356 3.642 50 10 JHGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330766 HAPDQBGMBPZJRB-UHFFFAOYSA-N 490.453 3.578 50 10 JHGE C[C@@]1(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@H]2Cl 2380919067 RKOQWDTZTWUMPF-LIWAJOSJSA-N 453.004 3.558 50 10 JHGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 13993203 WPXYOQIVONFPGK-LBPRGKRZSA-N 486.160 3.514 50 10 JHGE CCn1c(SCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)nnc1-c1cccs1 25257176 PKTCQOFLIIXFDF-UHFFFAOYSA-N 456.380 3.887 50 10 JHGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc21 38649972 YPYQBMMGBUCYTA-XMMPIXPASA-N 473.441 3.806 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(N(Cc3ccccc3)c3ccccn3)c2[N+](=O)[O-])cc1 40658881 DYGFQQIQIQQYIG-UHFFFAOYSA-N 471.477 3.884 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)cc1 40825277 FCUJVPKNANNMRI-ZXVVBBHZSA-N 475.574 3.998 50 10 JHGE Cc1cc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)CC(C)C)c(C)n1-c1ccccc1 110755981 DCMWNVNDEWTYAF-VWLOTQADSA-N 472.589 3.855 50 10 JHGE C[C@H](CBr)N(C)C(=O)c1cc(Br)ccc1I 235404271 YTYCAOVNTQDJTH-SSDOTTSWSA-N 460.935 3.909 50 10 JHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)cc2)cc1 254743851 LUWCOIQBXUIMPI-QYNMWNFISA-N 485.540 3.974 50 10 JHGE COc1cccc(NCC(=O)NNC(=O)c2cc3sc(Nc4ccccc4OC)nc3s2)c1 728206518 SIKCTJAQUUDIBG-UHFFFAOYSA-N 483.575 3.992 50 10 JHGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC3CCCC3)cc2OC)c1 834736956 CNXQUXGHUBGNQC-VCHYOVAHSA-N 450.491 3.897 50 10 JHGE COc1cc(C(=O)NN=Cc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC 1083962544 BNRNNJYJRMOGAA-UHFFFAOYSA-N 484.530 3.552 50 10 JHGE COc1cccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1 1084113275 OPKMKDZIFZRADE-UHFFFAOYSA-N 451.548 3.658 50 10 JHGE O=C(NN=Cc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084280951 QSABZIYUDMXUOK-UHFFFAOYSA-N 484.803 3.654 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1cccnc1 1084602743 INYMEUMGISZNBG-UHFFFAOYSA-N 487.589 3.656 50 10 JHGE Cc1nc2scc(C)n2c1/C=N\NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860773247 UANWMCXWHOLKIZ-OPVMPGTRSA-N 462.560 3.601 50 10 JHGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1865851888 JHCHCABPHQTJLA-KRWDZBQOSA-N 490.585 3.863 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@H]1C[C@H](Br)C1 1883577053 KMSHDDHLZCDRGR-SHTZXODSSA-N 450.418 3.511 50 10 JHGE CN1CC[C@H]([C@@H](Br)c2csc(Br)c2Br)S1(=O)=O 1945187009 PILFIKYBTYSHGN-RQJHMYQMSA-N 468.030 3.743 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1cc(Br)c(Br)s1 2006155294 VRTQJGIYVUPQAH-HLORNFRZSA-N 465.026 4.000 50 10 JHGE O=S(=O)(c1occc1CBr)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179828477 QKGRSVSBRIKLHR-UHFFFAOYSA-N 463.344 3.706 50 10 JHGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186714003 BQECNFPLNPCTNM-BRWVUGGUSA-N 469.367 3.629 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201752017 TWGHCJJURMNQTQ-YMTOWFKASA-N 467.983 3.980 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCN(Cc2ccccc2)C1 2242039762 JUEUYIHGGFRPLY-XLIONFOSSA-N 474.383 3.996 50 10 JHGE COc1ccc([C@H](Br)[C@@H]2CCCS(=O)(=O)C2)cc1I 2269542427 JZULVYQPGKVUDQ-MFKMUULPSA-N 459.143 3.561 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1Br 2295312666 ZWRRUIZFLCHHNQ-FRRDWIJNSA-N 469.999 3.811 50 10 JHGE CCCn1c(C)cc(C=C(C#N)C(=O)OCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)c1C 2297393112 NWEVHAHZJAOFFG-UHFFFAOYSA-N 497.621 3.785 50 10 JHGE CCOC(=O)C1CCN(C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 2324599145 FREBCGGZKFKCHG-UHFFFAOYSA-N 486.616 3.603 50 10 JHGE CC(C)(C)OC(=O)N1CCC(NC=C(C#N)C(=O)N2CCC(Cc3ccccc3)CC2)CC1 2324768589 ZYHSZFDUHMWYRY-UHFFFAOYSA-N 452.599 3.864 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@H](CBr)CC1CC1 2338669368 CQHWCQWQYNWJGV-QMMMGPOBSA-N 457.992 3.581 50 10 JHGE C[C@@H]1CC[C@@H](CBr)N(C(=O)c2c(Br)c(Br)nn2C)C1 2338684919 TZSNCBWQEBPOBD-SFYZADRCSA-N 457.992 3.581 50 10 JHGE CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CCc3nc(-c4ccncc4)no3)cc2C1 10997193 YZJFOTWVEVUZDY-MRXNPFEDSA-N 453.568 3.738 50 10 JHGE O=C(Cc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14002243 TYGYZPVUMVRHQG-UHFFFAOYSA-N 472.998 3.737 50 10 JHGE COc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)ccc1OCCBr 33403637 JUAAPZQGTLGPAA-WJDWOHSUSA-N 459.296 3.971 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC(=O)OC 58895386 AONFIAHEVOVMDS-TYNJROEQSA-N 498.576 3.728 50 10 JHGE CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(Br)c(N2CCOCC2)o1 59679586 OLHCUANLNRMYCI-VGOFMYFVSA-N 452.312 3.887 50 10 JHGE Cc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 103865719 CVSPHFIKVXRQKZ-RPIPQNNUSA-N 494.511 3.698 50 10 JHGE CC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(-n2ccnc2)cc1 254814690 RUEHNQKEESKNRO-UHFFFAOYSA-N 465.560 3.889 50 10 JHGE CCOc1ccc(OCC)c(NC(=S)NNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1 727492077 FTFHNEKTFCUYFF-NRFANRHFSA-N 456.568 3.777 50 10 JHGE CC(=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccc(F)cc1 1084591226 LYIJLDTXVWZPMX-UHFFFAOYSA-N 491.390 3.973 50 10 JHGE CC(=O)N1CCCc2cc(NC(=O)NNC(=O)CCCOc3ccc(Cl)cc3C)ccc21 1199544671 DIWBBGCZHZSKRH-UHFFFAOYSA-N 458.946 3.959 50 10 JHGE C#CCN(CC(=O)NNc1ccc(Br)cc1C(F)(F)F)C(=O)OC(C)(C)C 1443339086 BTDFNMYWZNOELK-UHFFFAOYSA-N 450.255 3.781 50 10 JHGE CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)c1C(C)C 1538443504 UWYIXNVGCJWLJY-ZDUSSCGKSA-N 450.333 3.640 50 10 JHGE CN(C)[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866706125 YCVWPRGHQXNWPP-RPWUZVMVSA-N 474.586 3.934 50 10 JHGE CCc1ccc(OCCCC(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)c(Br)c1 1873777833 TZIMCFZQAHICST-SFHVURJKSA-N 489.414 3.947 50 10 JHGE CN(C)S(=O)(=O)C[C@H](Br)c1csc(Br)c1Br 1937734677 NOJWSXZTFIUVOJ-LURJTMIESA-N 456.019 3.601 50 10 JHGE CC(C)(C)OC(=O)N1CCCc2ccc(NS(=O)(=O)CI)cc2C1 2007711041 XYTFUQCPEWVVEG-UHFFFAOYSA-N 466.341 3.504 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1cscc1Br 2023039241 IXPYXLFSGOARCE-CBAPKCEASA-N 452.177 3.639 50 10 JHGE C[C@@H](Br)C1CN(C(=O)c2ccc(Br)cc2I)C1 2026211292 JMVMXAUGPJOIDA-SSDOTTSWSA-N 472.946 3.909 50 10 JHGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1scc(Br)c1Br 2039818944 NBKDUFCRFRORCV-RQJHMYQMSA-N 462.001 3.803 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2059265378 USANRAGTXOGOJS-KGLIPLIRSA-N 490.217 3.584 50 10 JHGE O=C(c1cc(I)ccc1Br)N1[C@H](CCl)C[C@H]2OCC[C@@H]21 2146698509 JYPVFCQPQKBKQB-TVYUQYBPSA-N 470.532 3.665 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179952314 KQUKAUOQXNUHQZ-MSOLQXFVSA-N 465.404 3.723 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H](CCl)OCC12CC2 2183967098 WXRGLDLCOFOKTA-SNVBAGLBSA-N 470.532 3.666 50 10 JHGE Cn1ncc(I)c1Cn1c(CCl)nc2cccc(Br)c21 2189871816 LPQSOBRXDZWCNZ-UHFFFAOYSA-N 465.520 3.924 50 10 JHGE Cn1ncc(C(=O)Nc2ccc(Cl)cc2CBr)c1I 2231151910 GWPFLKIFRLMPGH-UHFFFAOYSA-N 454.493 3.825 50 10 JHGE BrC[C@@H]1CO[C@@H]2CN(Cc3ccc(Br)cc3Br)C[C@H]2O1 2279861417 FVODKPIDLIWOPA-MRVWCRGKSA-N 469.999 3.575 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1ccc(Cl)c(I)c1 2283652770 ZLEJZDMHKQTWBD-VXGBXAGGSA-N 470.532 3.759 50 10 JHGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 2294217757 KNNNENKGDNXCQR-UHFFFAOYSA-N 475.480 3.721 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2OCC[C@]2(CBr)C1 2296390699 DHQLINGOFUCWNS-JSGCOSHPSA-N 470.532 3.571 50 10 JHGE N#CC(=Cc1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1)c1nc2cc(Br)cnc2[nH]1 2297302345 INDGEAIYMFFNLA-UHFFFAOYSA-N 460.247 3.928 50 10 JHGE C[C@@H]1CC[C@@](CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338850342 RDBNKMQEXFNGCS-IIBYNOLFSA-N 485.444 3.716 50 10 JHGE C=CC[C@]1(CBr)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364206750 VTCXJNVCBOZJQV-JOCHJYFZSA-N 497.455 3.836 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331454 WAQIDVSUVXXNMB-UHFFFAOYSA-N 469.335 3.911 50 10 JHGE O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(OC(=O)N2CCOCC2)c1)c1cccs1 27531035 OOSIZFRRYIFNQD-PCLIKHOPSA-N 478.530 3.595 50 10 JHGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40657712 HAGQITRKWYZIQP-UHFFFAOYSA-N 476.280 3.514 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC(=O)OC 58895389 AONFIAHEVOVMDS-MPTKSEEOSA-N 498.576 3.728 50 10 JHGE CN1C(=O)/C(=N\NC(=O)CSCc2ccc(Cl)cc2)c2cc(Br)ccc21 59158570 UWCZILJMSLARTR-XLNRJJMWSA-N 452.761 3.833 50 10 JHGE C[C@@H](Sc1ccccn1)C(=O)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59166185 UAFOTSAISTURDT-YUBSNBEWSA-N 461.503 3.538 50 10 JHGE COc1ccc(CCN/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1 217253766 OKADXJURIANONW-SSZFMOIBSA-N 461.303 3.787 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@@H]2C[C@H]3CCCC[C@H]3O2)C1 379163895 YUUNYQKKPGGMSM-LYYZXLFJSA-N 451.345 3.774 50 10 JHGE C=CCN1C(=O)C(=NNC(=O)COc2ccc(Cl)c(C)c2)c2cc(Br)ccc21 725424827 YPJVWEWSVAHOHQ-UHFFFAOYSA-N 462.731 3.843 50 10 JHGE CN(Cc1ccc2c(c1)OCCO2)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 914462149 DTHYJDAVIYREKU-RCCKNPSSSA-N 453.502 3.801 50 10 JHGE CO[C@H](C)C(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 920855416 DTPNXJMJAIQNIQ-WRDGEJPTSA-N 468.517 3.983 50 10 JHGE C=CCc1cccc(C=NNC(=O)[C@@H](C)Nc2ccc(I)c(C)c2)c1O 1083965120 GQBFZWXIOPFPSH-CQSZACIVSA-N 463.319 3.984 50 10 JHGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)[C@H](O)c1ccccc1 1083991444 IDOXFZRCDHTHIO-OAQYLSRUSA-N 482.309 3.689 50 10 JHGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 1084270906 UKHXVWNUEKIRME-CXUHLZMHSA-N 476.270 3.564 50 10 JHGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1cccnc1 1084440882 YMCCEQXSICUOLN-UHFFFAOYSA-N 493.980 3.529 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084636085 KPRRRAOOAACYAT-UHFFFAOYSA-N 464.591 3.878 50 10 JHGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865713987 AHTHDFMCRYGANI-OAQYLSRUSA-N 462.506 3.774 50 10 JHGE CC(C)(CI)CN=[S@@](C)(=O)CC1(C)CN(C(=O)OC(C)(C)C)C1 1904650304 DJARPWBOTLMHSN-QHCPKHFHSA-N 458.406 3.802 50 10 JHGE Oc1ncnc(N2CCC3(CCC(CBr)CC3)C2)c1I 1916931244 MRPCWDRNKANLCP-UHFFFAOYSA-N 452.134 3.568 50 10 JHGE O=C(NCCCCCI)c1cc(I)ccc1F 2003650341 ULOLKJLIHKCAJG-UHFFFAOYSA-N 461.056 3.765 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1F)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188888909 WXCPXPPMSZSQQR-PKOBYXMFSA-N 453.377 3.616 50 10 JHGE O=C(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1cccc(I)c1 2192578858 IRTBHKDGPFRMMA-JQWIXIFHSA-N 462.047 3.985 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2cncc(CBr)c2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2283109448 HTUHLSCMXNLWFD-BRWVUGGUSA-N 452.418 3.649 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2CCO[C@]2(CBr)C1 2283665711 WXWSHMFYINACJV-QMTHXVAHSA-N 470.532 3.571 50 10 JHGE COCCN(C[C@@H](C)Br)S(=O)(=O)c1cc(Br)ccc1Br 2288058594 FJITZDLWYYPYNA-SECBINFHSA-N 494.043 3.632 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1CCC(CBr)(C(F)F)CC1 2289956315 WYMABPQJQFQELG-UHFFFAOYSA-N 453.168 3.942 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2OCC[C@]2(CBr)C1 2296378135 OMYCSLBIAKYIAL-JSGCOSHPSA-N 467.983 3.838 50 10 JHGE CN(C)c1ccc(C=C(C#N)C(=O)NCC[C@@H]2CN(c3ncnc4n[nH]cc34)c3ccccc32)cc1 2297722480 KXMNUMJJKFWKJU-LJQANCHMSA-N 478.560 3.768 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1[C@H]1CC[C@](C)(CI)O1 2307437647 VGQMPPXEIGFFEP-JKIFEVAISA-N 451.345 3.775 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)ccc1Br 2313621526 ZCBQUANKLYFDSU-UHFFFAOYSA-N 482.787 3.525 50 10 JHGE N#CC(=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CCS(=O)(=O)C1 2314476114 JBEYILJEBXCFHZ-OZZUTDSSSA-N 490.629 3.550 50 10 JHGE COc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314620609 SRRRVCNDWRRUSK-UHFFFAOYSA-N 474.513 3.820 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)c1cccnc1CBr 2338990540 HKTHONDAHFJTOK-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE C[C@H](Br)COCc1cn(Cc2ccc(Cl)c(I)c2)nn1 2362335947 BSCMNCSGPYIQJV-VIFPVBQESA-N 470.536 3.884 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2364216024 YDUFGENLTWKCOX-DBVUQKKJSA-N 497.455 3.668 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1 13979611 UQFWGDFSNNXTIL-UHFFFAOYSA-N 482.762 3.664 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1I 14021761 VEBADSSEUYOGNJ-UHFFFAOYSA-N 482.318 3.800 50 10 JHGE O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1ccc(Br)o1 14030861 XHGUTAOAUCGVAJ-UHFFFAOYSA-N 474.336 3.570 50 10 JHGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2cc(OC)c(OC(C)=O)c(OC)c2)s1 20595795 WHEZMDXMCOBXDH-OVCLIPMQSA-N 472.519 3.975 50 10 JHGE COc1ccc(CCNc2ncnc(NNC(=O)c3cccc4ccccc34)c2N)cc1OC 40683926 AGOVJAAZLCZFTK-UHFFFAOYSA-N 458.522 3.641 50 10 JHGE C[C@@H](COC[C@@H](C)OC(=O)Nc1cccc(CN=C=O)c1)OC(=O)Nc1cccc(CN=C=O)c1 111409465 OIKLHRPYUMZODQ-HDICACEKSA-N 482.493 3.949 50 10 JHGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 254403742 FGLZTXJACYCXKT-UHFFFAOYSA-N 473.514 3.845 50 10 JHGE O=C(COc1ccc(Br)cc1)NN=Cc1ccc(I)cc1 1084267709 HKTINOWMXVAZBR-UHFFFAOYSA-N 459.081 3.583 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(F)ccc2N2CCC(C)CC2)cc1 1675142385 DQGGETFQZCZYPP-QGZVFWFLSA-N 456.518 3.885 50 10 JHGE CCCCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859006582 XIHBJDUGDWGEFU-UHFFFAOYSA-N 495.529 3.840 50 10 JHGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860770704 STALRNKCVBPYBQ-UHFFFAOYSA-N 488.569 3.552 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771244 OFXHANLOFPEHRI-IAGOWNOFSA-N 466.607 3.623 50 10 JHGE COc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OC(=O)c1ccccc1 1873795247 DUOANRQBTZTIQA-YYHBXHNPSA-N 469.538 3.914 50 10 JHGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)nn1C 1915087290 TXNTXSQXTKPOMB-ZDUSSCGKSA-N 465.211 3.547 50 10 JHGE BrC[C@@]12C[C@H]1CN(c1ncc(I)cc1Br)C2 1988534886 QDFNQNLQHNGSMW-WRWORJQWSA-N 457.935 3.670 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2106989202 QSQLPJJPXMAIPX-LBDPXKHJSA-N 456.324 3.569 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2ccc(Br)cc2Br)C1 2109021052 FWWBMNREOURZSI-NXEZZACHSA-N 455.972 3.836 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CCCC[C@]2(CBr)C1 2238799481 INBGFYKKFKZYPW-JTSKRJEESA-N 497.455 3.670 50 10 JHGE Cc1ccc(I)c(C(=O)N2C[C@@H](C)O[C@H](CCBr)C2)c1 2240901455 PNHPGAXKTUCQCC-VXGBXAGGSA-N 452.130 3.614 50 10 JHGE COCCNC(=O)Cn1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)c2ccccc21 2297552054 RCEVYLRYGQIRTA-UHFFFAOYSA-N 450.926 3.911 50 10 JHGE CCN(CC)C(=O)Cn1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 2297709468 ILXIVQXVGBZQBW-UHFFFAOYSA-N 469.589 3.765 50 10 JHGE CC[C@H](CCBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827011 MSVUONDUCTWHQQ-MRXNPFEDSA-N 473.433 3.574 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325584235 APJCHFMXFDBQLT-WZONZLPQSA-N 483.700 3.848 50 10 JHGE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CCOCCI 2326649215 UMAOYCKTPUOVMU-UHFFFAOYSA-N 460.356 3.916 50 10 JHGE Cc1cc(C)cc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)c1 9779596 IYHHWAWLYXYIFF-UHFFFAOYSA-N 476.154 3.978 50 10 JHGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OC2CSC2)cc1 15979456 NWVKHQSNVVSPBO-UHFFFAOYSA-N 481.599 3.526 50 10 JHGE aggregator O=C(CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])ccc1O 59516464 SAMQJEGASGSHBP-AUEPDCJTSA-N 455.349 3.570 50 10 JHGE CC(CBr)(CBr)NC(=O)c1sccc1I 309124822 VYIIBANSLJRSQC-UHFFFAOYSA-N 466.964 3.631 50 10 JHGE BrC[C@H](Cn1cnc(I)c1I)C1CC1 701845472 PQPHXCIXMGGKBM-SSDOTTSWSA-N 480.913 3.513 50 10 JHGE COc1ccccc1SC[C@H](C)CNC(=O)NNC(=O)c1ccc(Br)cc1 1318293976 ZCXIFEOHUCZCGB-CYBMUJFWSA-N 452.374 3.830 50 10 JHGE C=C(C)Cn1c(SCC(=O)NNC(=S)Nc2ccc(C)c(C)c2)nnc1-c1ccco1 1440574113 JTFRWIIZZYFAQN-UHFFFAOYSA-N 456.597 3.841 50 10 JHGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=S)Nc2ccc(N(C)C)cc2)s1 1644013433 PAYNFQHYZLLZKP-UHFFFAOYSA-N 456.062 3.922 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)cc1 1670668572 BSWPGHAITJTSCT-LBPRGKRZSA-N 457.380 3.590 50 10 JHGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746632 YPPLPDCKQDGXDV-UHFFFAOYSA-N 460.490 3.939 50 10 JHGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)CC1=O 1865757089 MLPVJOXKYVHJNM-OAQYLSRUSA-N 486.572 3.751 50 10 JHGE CC1(C[S@](C)(=O)=NCC2(CBr)CCOCC2)CN(C(=O)OC(C)(C)C)C1 1877880335 CRLVYSIYKZPQAM-SANMLTNESA-N 453.443 3.533 50 10 JHGE CC(C)(C)OC(=O)NCCN1CCC([C@@H](CBr)NC(=O)OC(C)(C)C)CC1 1882089458 ZQWAVQOLRFXKAQ-OAHLLOKOSA-N 450.418 3.511 50 10 JHGE O=C(c1scc(Br)c1Br)N1CC(I)C1 1904389710 KYCPKZORBAEJMK-UHFFFAOYSA-N 450.921 3.533 50 10 JHGE O=C(NC[C@@H](Br)CBr)c1cc(Cl)ccc1I 1981566713 VYURAALUVPUETC-LURJTMIESA-N 481.353 3.833 50 10 JHGE C[C@@H](CBr)N1CCN(C(=O)c2cc(Br)c(Br)s2)CC1 2113065447 BVVXHFRUHVHCLX-QMMMGPOBSA-N 475.044 3.814 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2ccc(I)c(Cl)c2)C1 2121336611 HSVZCCXMTHVUEV-VVTDQHDMSA-N 476.476 3.813 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCN2C[C@H](Br)C[C@H]2C1 2150493007 HNBDOWZDYZYFKG-ZJUUUORDSA-N 466.999 3.505 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2CCCN(S(=O)(=O)c3ccc(CBr)cc3)[C@H]2C1 2163050013 FZYBSRRPWFIBDZ-WBVHZDCISA-N 459.406 3.602 50 10 JHGE C[C@]1(C2CC2)CN(S(=O)(=O)c2c[nH]c(CBr)c2)CCN1Cc1ccccc1 2179867625 YNIOJRZQNANXTO-HXUWFJFHSA-N 452.418 3.585 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)Cc1ccccc1Br 2226097676 VNUXSZIWPOANBK-GWCFXTLKSA-N 460.175 3.718 50 10 JHGE C[C@@]1(CO[C@](C)(CI)c2ccccc2Br)COCCO1 2237881969 JMHARAQRPOOZHF-LSDHHAIUSA-N 455.130 3.921 50 10 JHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(C)c1 2268649887 GIDMPAKLMIYICJ-WGDIFIGCSA-N 486.377 3.567 50 10 JHGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccc(C(=O)O)cc4)cc3[nH]2)cc1OC 2323720244 BAACGVJDZCBZOZ-UHFFFAOYSA-N 458.474 3.633 50 10 JHGE CSCC[C@@H](NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O 2325031506 RFRZNCJJGNKHRN-CYBMUJFWSA-N 455.380 3.866 50 10 JHGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc(OC)c1OCc1ccccc1 2328818680 JHWYFRALSSJXPP-INIZCTEOSA-N 457.527 3.646 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 14030180 PDBJDKTVAWVPGG-UHFFFAOYSA-N 464.385 3.886 50 10 JHGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c1C 102684420 IPJYGMMYTVJXSD-QRRJMBGHSA-N 458.518 3.614 50 10 JHGE CC(C)(CNC(=O)c1cc(Cl)ccc1I)OCCBr 311777814 KFKREZWXBWYHEL-UHFFFAOYSA-N 460.537 3.865 50 10 JHGE COc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 727759879 FNEGZNGJLTXPAJ-STQMWFEESA-N 471.501 3.536 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NCC(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 728088032 BRAZQQGQDWTKCM-FYJGNVAPSA-N 459.477 3.683 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 920853080 IAWLDAGDIZGVPP-MKYLKIGJSA-N 457.534 3.527 50 10 JHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3C)S(C)(=O)=O)c2C)cc1 1083906938 YHBVDBJSQBFQIL-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c2ccccc21 1084072071 ILCREQQHGDJYCR-LJQANCHMSA-N 462.594 3.724 50 10 JHGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OCC 1084184860 LXYFUBGVTKNZLK-IBGZPJMESA-N 462.930 3.645 50 10 JHGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860770018 PQZVIVGBJJWQAB-UHFFFAOYSA-N 488.569 3.552 50 10 JHGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)c1O 1865696640 PBSZIRVPDMWQHZ-INIZCTEOSA-N 453.296 3.782 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1ccc(Br)c(CBr)c1 1887894050 XJEFGCCXDMSWCJ-CABZTGNLSA-N 476.028 3.748 50 10 JHGE C[C@H]([C@@H](Br)c1cc(Br)c(Br)s1)S(=O)(=O)N(C)C 1941945193 FBOAPIDLXGGTEO-SVGQVSJJSA-N 470.046 3.989 50 10 JHGE CN1CC[C@@H]([C@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2029047103 PVDJSQROEAOASK-WDEREUQCSA-N 462.001 3.682 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](F)[C@H](CBr)C1 2056996727 BAMQBLMKQNUPCG-SCZZXKLOSA-N 490.936 3.859 50 10 JHGE CCc1nn(-c2ncc(Br)c(CCl)n2)c(CC)c1I 2093909291 JKELWUIDKWKXAX-UHFFFAOYSA-N 455.525 3.893 50 10 JHGE CCOC(=O)C12CC(CI)(C1)O[C@H]2[C@H]1CCCCN1C(=O)OC(C)(C)C 2105847764 MDMHBSNENHJVKP-CWSVYJBUSA-N 479.355 3.692 50 10 JHGE COc1cc(-n2cc(COCCBr)nn2)c(Br)cc1Br 2146044010 YBQNZWQOTSSKAB-UHFFFAOYSA-N 469.959 3.712 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H](CCl)OCC12CC2 2207260198 DZGPXCRRAMVYLU-JTQLQIEISA-N 470.532 3.666 50 10 JHGE CCN1CCC[C@@H]([C@H](Br)c2ccc(C)c(I)c2)S1(=O)=O 2232824686 BNVDQFOFUFJWRM-UONOGXRCSA-N 472.186 3.850 50 10 JHGE CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2296280491 XWMVFTRZBFYBJF-LJQANCHMSA-N 496.972 3.698 50 10 JHGE COc1cc(C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc(OC)c1OC 2314753218 MLXBTHLGTUZFFB-UHFFFAOYSA-N 462.458 3.748 50 10 JHGE Cc1c(CBr)ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1C 2319469636 IZBQDNZIBPEVEC-UHFFFAOYSA-N 465.369 3.626 50 10 JHGE C[C@@H]1CC[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2322964487 BBHKLDUQLSSOQF-QVKFZJNVSA-N 493.692 3.725 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCC[C@H](C1)C2Br 2364213898 JYTJEQVFKHIERJ-XEWABKELSA-N 497.455 3.668 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCCOC(C)C)c(Oc3ccc(F)cc3)nc12 3644217 VSFCDDNUPJNBAO-JXAWBTAJSA-N 464.497 3.773 50 10 JHGE CCOC(=O)c1nn(-c2ccc(Br)cc2)c(=O)c2c(NC(=O)[C@@H](C)Cl)scc12 10248091 LBWQEANBJGBGEE-SECBINFHSA-N 484.759 3.952 50 10 JHGE Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 10736855 LECOAGASJQTMOB-UHFFFAOYSA-N 480.521 3.501 50 10 JHGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1Br 12500887 FLIALEFVFIJJFM-UHFFFAOYSA-N 468.376 3.917 50 10 JHGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 13976673 HLGBNPJULVUYMQ-UHFFFAOYSA-N 468.922 3.716 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 13983589 AXMZJXMJSJKZHY-CYBMUJFWSA-N 494.411 3.686 50 10 JHGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14035415 LDGAPKFVDGKMAJ-UHFFFAOYSA-N 490.585 3.923 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602937 NHXFNKLHQNEINZ-XHLNEMQHSA-N 481.512 3.681 50 10 JHGE CSc1ccc(C=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 252628447 SQKFYXKPPGUOED-UHFFFAOYSA-N 479.933 3.997 50 10 JHGE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)[C@@]13CC[C@@](C)(C(=O)[C@H]1Br)C3(C)C)C2 256019105 LNPUZCWITYHDSH-YGCNUKLTSA-N 451.405 3.675 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1Br 387794020 NVDWQTNVMNMXIV-OIBJUYFYSA-N 462.001 3.616 50 10 JHGE COC1CCN(C2(CNC(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)CCCC2)CC1 730914189 MVAQCWUDJPKOBC-UHFFFAOYSA-N 498.599 3.772 50 10 JHGE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)C1CC1 1540361515 CDMLKMGDNNGONN-NRFANRHFSA-N 453.926 3.594 50 10 JHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNc1ccc(F)cc1)CCC2 1772751279 ZRRYICNKEMPIFT-UHFFFAOYSA-N 450.470 3.963 50 10 JHGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865852202 OZDKNOODFGTYOY-CRAIPNDOSA-N 496.633 3.767 50 10 JHGE Cc1ccccc1-c1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962099 PNSNYUPOEHCHOI-PKTZIBPZSA-N 497.599 3.792 50 10 JHGE C[C@H](CBr)CS(=O)(=O)c1cc(I)ccc1Br 1900826921 UIITVJXRHRKTKB-SSDOTTSWSA-N 481.975 3.858 50 10 JHGE C[C@@H](CCCCCI)NC(=O)c1cc(I)sn1 2007658131 ZPHLOTBNFRMHNL-QMMMGPOBSA-N 478.137 3.861 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1Br)N1CC(OCc2ccccc2)C1 2009659106 YLAGBLBXVXFGEI-UHFFFAOYSA-N 475.202 3.934 50 10 JHGE O=S(=O)(NC[C@@H]1C[C@@H]1CBr)c1cc(Br)ccc1Br 2053965554 HTDNWVJJXIPDCZ-SFYZADRCSA-N 462.001 3.521 50 10 JHGE Cc1cc(C(=O)CBr)c(I)cc1I 2060166811 AKTIHZZTRIXVSK-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE BrCCOCc1cn(Cc2ccc(Br)cc2Br)nn1 2092261840 UPVYCRUPMUVGMV-UHFFFAOYSA-N 453.960 3.763 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1ccc(CBr)o1)C2 2179865853 YCDOEJJFYFGLAQ-WOJBJXKFSA-N 453.402 3.707 50 10 JHGE CC(C)(C)OC(=O)N1CCN(C2CCN(CCCCCI)CC2)CC1 2220220133 ODHDKMOFMAWBLJ-UHFFFAOYSA-N 465.420 3.609 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@@H]2CCCC[C@]2(CBr)C1 2230586429 IDVPGAZZRRPHJI-ZANVPECISA-N 455.159 3.775 50 10 JHGE C[C@H]1COCCN1CCO[C@@H](CI)c1ccc(Br)cc1 2285505998 FRRSKPJQMCQUHX-WFASDCNBSA-N 454.146 3.663 50 10 JHGE CC(C)OCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 2296543593 OTCPCTVXXFPNLD-UHFFFAOYSA-N 466.925 3.978 50 10 JHGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(OCc3ccc(C)cc3)cc2)C(C)=C(C#N)C1=O 2314621153 ZUNSBWCCHOTYQL-UHFFFAOYSA-N 488.540 3.746 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)C1(C(=O)O)CCC(C)(NC(=O)OCc2ccccc2)CC1 2321845760 NJLMOSZAGTYKFR-UUBYJMPYSA-N 453.377 3.784 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)C1CCCC1 2338849431 IIUCTNSEWCMBCG-LJQANCHMSA-N 485.444 3.716 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC[C@H]2C[C@@H](Br)C2)C[C@H](P(C)(C)=O)C1 2344197164 NGGZCVWYYNFDJQ-XQLPTFJDSA-N 451.342 3.524 50 10 JHGE CC1(C)C[C@@H](Cl)C[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364212861 AZCVXOXSDPUYSC-IRXDYDNUSA-N 455.020 3.949 50 10 JHGE COC[C@@]1(CBr)C=CCN1C(=O)c1ccc(Cl)c(I)c1 2379848275 VLAHIGCHTKFKNC-AWEZNQCLSA-N 470.532 3.737 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N(CCBr)C1CCOCC1 2381894418 MHRSLUSHZNAVPI-UHFFFAOYSA-N 472.548 3.961 50 10 JHGE Cc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1I 12492975 OUDDIIQPUINPQP-UHFFFAOYSA-N 499.736 3.741 50 10 JHGE COc1ccc(C(=O)NC2=N/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)c3ccccc32)cc1 102673528 OLQRSPNTIPLQKS-GSWFEHRJSA-N 450.498 3.997 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](C)CBr)cc1Br 137032887 OIONKNBFEQSEIK-SSDOTTSWSA-N 464.017 3.829 50 10 JHGE O=C(NNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 730768504 ADRNDYQZPRJOCO-ZEQRLZLVSA-N 477.586 3.579 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OC)cc2OC)cc1 1084651102 NSZLMMSZXKHKMR-SFHVURJKSA-N 465.344 3.829 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccc(O)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720573 RIKGOZXTDMASLT-UHFFFAOYSA-N 494.500 3.800 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OC)c2O)cc1 1865683597 FUSBBEYFFSQFQC-MRXNPFEDSA-N 458.396 3.832 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Cl 1924876970 OVSHFKXKDOOMFH-VQIMIIECSA-N 453.004 3.560 50 10 JHGE O=C(NC1CC(CBr)C1)c1ccc(Br)cc1I 2026222044 SRMVRJKYIYFNQW-UHFFFAOYSA-N 472.946 3.957 50 10 JHGE CCOC(=O)Cc1cc(I)c(I)cc1CCl 2055322174 ANPFVUWLAWUQMH-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N1CCC(=CBr)C1 2059267613 QCEYYSXQGYHYTQ-UHFFFAOYSA-N 463.973 3.610 50 10 JHGE CCN1CCC[C@@H]([C@H](Br)c2cccc(I)c2)S1(=O)=O 2089533710 ASOCNVYUFDFYNI-QWHCGFSZSA-N 458.159 3.541 50 10 JHGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)CC1 2110715499 NULDLGODSJFRMM-WZQKQDCOSA-N 451.427 3.964 50 10 JHGE CCN1CCC[C@H]([C@H](Br)c2cccc(F)c2I)S1(=O)=O 2145777341 YUCLJVSTOMSMET-VXGBXAGGSA-N 476.149 3.680 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@]2(CBr)C1 2277928044 NSOVYTFDCWCMBA-HZMBPMFUSA-N 451.984 3.998 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCC(Br)CC2)C[C@H]1C(F)(F)F 2279227810 KSYVNKYDZPSWJE-OLZOCXBDSA-N 458.319 3.886 50 10 JHGE COc1ccc(C(=O)CO/C(=C(/C#N)c2nnc3n2CCCCC3)C(F)(F)F)cc1OC 3230773 CFUTTYXLYHAMIZ-RGEXLXHISA-N 450.417 3.718 50 10 JHGE O=C(CCC(=O)OCCc1ccccc1)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14010956 HUDIJURQCJOGSP-UHFFFAOYSA-N 465.550 3.533 50 10 JHGE CCOc1cccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 14042208 DELLYUIFTMIFCE-UHFFFAOYSA-N 470.378 3.887 50 10 JHGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c1 14668612 FPANJTMUONQDMJ-UHFFFAOYSA-N 494.411 3.568 50 10 JHGE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S)NNC(=O)c1ccccc1O 35252809 ASMPEWVAOZMZET-XDJHFCHBSA-N 469.588 3.615 50 10 JHGE COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1OC 58989829 PRDKMVGBJPSKBB-PKAZHMFMSA-N 488.573 3.979 50 10 JHGE O=C(NNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)c1cn(-c2ccccc2)nc1-c1ccccc1 72020544 QBZQTAKMNKJGSI-QHCPKHFHSA-N 499.596 3.596 50 10 JHGE O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 206610613 RMCPMHLMBWHBKP-YPKPFQOOSA-N 476.514 3.523 50 10 JHGE COc1cc(C=NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1O 254632479 VOIXUJQSPVUIPB-UHFFFAOYSA-N 472.589 3.648 50 10 JHGE CC(C)(CNC(=O)c1ccc(I)c(Br)c1)OCCCl 721511720 UQCOZDAPZSBCDQ-UHFFFAOYSA-N 460.537 3.818 50 10 JHGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)c2)cc1 727377342 FEGBCDKBACQEMG-VWLOTQADSA-N 458.514 3.552 50 10 JHGE COc1ccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1 1083934020 XQJKJCCSBOBBEA-UHFFFAOYSA-N 481.574 3.666 50 10 JHGE CSCC[C@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867252524 FESTVBNIGDUNSE-INIZCTEOSA-N 455.565 3.743 50 10 JHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(Cl)nn2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867274388 YBLGLRAOVOZFSR-HXUWFJFHSA-N 495.948 3.608 50 10 JHGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OC(=O)c2ccco2)c1 1873795371 ZYNUXNFDTPYDQT-QIWJOQEQSA-N 461.540 3.595 50 10 JHGE CN(CC1CC(Br)C1)S(=O)(=O)c1cc(CBr)oc1Br 1887901163 LPWDRMPWBSFNFC-UHFFFAOYSA-N 480.016 3.731 50 10 JHGE C[C@@H]([C@@H](Cl)c1cc(Br)ccc1I)S(=O)(=O)N(C)C 2029076322 YITBLKZJTQEIDC-WRWORJQWSA-N 466.566 3.614 50 10 JHGE Brc1cc(I)cnc1N1CC[C@@]2(C[C@H](Br)CO2)C1 2082002565 PDHFLDXAXIRIGF-QPUJVOFHSA-N 487.961 3.581 50 10 JHGE O=S(=O)(C[C@H](Cl)c1cc(Br)ccc1I)N1CCCC1 2089393233 HSHIQIFQJPAQPZ-NSHDSACASA-N 478.577 3.759 50 10 JHGE C[C@@H](Br)CN1CCCN(c2ncc(Br)cc2Br)CC1 2120334621 XPZRGIKPVNCIRA-SNVBAGLBSA-N 456.020 3.902 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2121591464 IRTFPDRNHFHGGH-BHNWBGBOSA-N 474.012 3.755 50 10 JHGE CC1(C)CCN(C(=O)c2cc(I)ccc2O)C[C@H]1CBr 2148648410 BLAIYEDCRCVYHY-SNVBAGLBSA-N 452.130 3.880 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179831550 YHBLQHOMUXJARC-MOPGFXCFSA-N 453.402 3.707 50 10 JHGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCCBr)cc1 2179858884 VILKSLZGCABOLI-FQEVSTJZSA-N 451.430 3.909 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CCCBr)C1 2225817370 PTTOUAXZSPAAJR-MRXNPFEDSA-N 485.444 3.526 50 10 JHGE Cn1nc(Br)c([C@H](Br)c2cc(I)cc3c2OCC3)n1 2226987662 UQKRWNLCGLPEQI-SECBINFHSA-N 498.944 3.601 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2240733188 NZELOHBMMWHXJG-FUHIMQAGSA-N 497.455 3.811 50 10 JHGE COc1ccc([C@@H](Cl)c2cnn(C)c2I)cc1I 2257358557 RHPDIVSWBVGMMB-LLVKDONJSA-N 488.494 3.966 50 10 JHGE CCc1ccc(-n2cc(COC[C@@H](C)Br)nn2)cc1I 2295832798 IWDKWXJZAFNJKS-SNVBAGLBSA-N 450.118 3.734 50 10 JHGE O=S(=O)(C[C@@H](Br)c1ccc(Cl)cc1I)N1CCCC1 2340026559 BLSNVQKFJMVOSG-LLVKDONJSA-N 478.577 3.806 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2355687552 IGOOHWOAVGFZMH-YGOYTEALSA-N 467.983 3.694 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 2364206239 RCUIBYXDJHRQAM-ABSDTBQOSA-N 497.455 3.811 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H](Cl)CC[C@H]2C1 2364214311 MOPXMEYRWOAJMC-RCCFBDPRSA-N 453.004 3.512 50 10 JHGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2)cc(Br)c1OC 33959158 LKNVXEBDCRDOBZ-MFKUBSTISA-N 476.371 3.907 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(N3CCC[C@H](C)C3)nc12 103233792 SIZQWQLEUZKCTJ-ODENVGOISA-N 455.562 3.505 50 10 JHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc4ccccc34)cc2)cc1 254556371 NLHPMOMHCUSQEG-UHFFFAOYSA-N 481.508 3.948 50 10 JHGE COCC[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 305926322 NLSMUNUECRZXDA-VIFPVBQESA-N 490.961 3.584 50 10 JHGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)CC1 727332445 IHTSBUORKKDJBD-XOYGFPHKSA-N 464.566 3.513 50 10 JHGE COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@](C)(C(=O)OC)c2cccc(Br)c2)c1C 730992962 HGSQICFNEHKLGR-FUAYJARZSA-N 488.382 3.625 50 10 JHGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(O)c2Cl)c1 1082989168 PDALCWZCBBRBHD-MOLDAGCBSA-N 479.920 3.984 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(C)c1C 1083944839 FOWBVENGBLOZLB-MRXNPFEDSA-N 487.033 3.711 50 10 JHGE CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc(SC#N)cc1 1866872706 ZNRCIYWODUODAM-UTKZUKDTSA-N 450.564 3.926 50 10 JHGE CCCC[C@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866904543 IKOIZNXEGNSFLM-QHCPKHFHSA-N 466.607 3.953 50 10 JHGE C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](CBr)NC(=O)OC(C)(C)C 1882088780 UMRXZXZQABWLLY-RBSFLKMASA-N 451.402 3.937 50 10 JHGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1985349695 DLFRMDPKJWTROK-CVEARBPZSA-N 465.682 3.507 50 10 JHGE C[C@@H]1CN(c2ncc(I)cc2Br)C[C@H](CCBr)O1 2069532860 XMSUTZIRKJSWPI-SCZZXKLOSA-N 489.977 3.827 50 10 JHGE C=C[C@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2082209469 JVPMQWZUYHMZTR-MRVPVSSYSA-N 462.001 3.748 50 10 JHGE Cn1cc(CCOc2c(Br)cc(CBr)cc2Br)nn1 2108098052 OFEQCMFYKUGGMW-UHFFFAOYSA-N 453.960 3.857 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CC=CCN2S(=O)(=O)c2ccc(CBr)cc2)C1 2163053682 PPWNCVOGVLQOAL-UHFFFAOYSA-N 457.390 3.522 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCC[C@@H](OCCBr)C1 2170212763 CMTWNONEMXCYSN-LLVKDONJSA-N 472.548 3.961 50 10 JHGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3s2)CC1 2297462581 QQCLROIOVNXHCM-UHFFFAOYSA-N 456.575 3.819 50 10 JHGE CN1CCC[C@@]1(C)CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2300071830 CYNIOPSXVNTMBP-ZWKOTPCHSA-N 452.377 3.692 50 10 JHGE CCCN(CCOCCI)CC1CCN(C(=O)OC(C)(C)C)CC1 2306804902 MVEUICHVEZAJOM-UHFFFAOYSA-N 454.393 3.797 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2323135042 APMLQRUEZPRMTR-YCRPNKLZSA-N 493.692 3.582 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 2325904643 OOXUFGIFAARNNR-UHFFFAOYSA-N 462.531 3.601 50 10 JHGE COc1ccc(Br)cc1C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C 2328796834 VTPPJDPIJULXPM-AWEZNQCLSA-N 460.394 3.554 50 10 JHGE O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)ccc1Cl 2369430913 KMLHOYZHDCVMTQ-AWEZNQCLSA-N 477.764 3.897 50 10 JHGE O=S(=O)(c1cscc1Br)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370246111 AUPOQDUWRZDYAI-RCOVLWMOSA-N 457.131 3.990 50 10 JHGE N#CCCn1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(-c2ccccc2)n1 9090543 YBGMMQMZFZSVHG-RELWKKBWSA-N 476.544 3.945 50 10 JHGE CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 13995444 MIWQBYLIPWAXDB-HNNXBMFYSA-N 455.736 3.795 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1cccc(Cl)c1 14005239 GMBZCDLWKVQKNO-UHFFFAOYSA-N 492.782 3.970 50 10 JHGE O=C(CCC(=O)OCCc1ccccc1)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 14011410 GRQWELCRLDTQGE-UHFFFAOYSA-N 475.570 3.555 50 10 JHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 14030568 WXPNZDREPNBAHN-UHFFFAOYSA-N 470.378 3.743 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668709 XVVDFJZPMAZYSM-UHFFFAOYSA-N 492.395 3.750 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 14832265 XNSBRQKXGWLWNI-LBPRGKRZSA-N 450.289 3.711 50 10 JHGE Cn1c(=O)n(C)c2cc([C@H](Br)c3ccc(I)cc3)ccc21 51393083 GAMYWYLEJXOTBJ-OAHLLOKOSA-N 457.109 3.966 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCC(=O)OC 59303885 ALEHYLGAIKLPLG-FOKLQQMPSA-N 475.295 3.910 50 10 JHGE N#CCC[C@@H]1CCCCC1=NNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 254705122 PLAFHPCVSOWMAE-SFHVURJKSA-N 483.550 3.756 50 10 JHGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC 254722451 YVCUJPFOVMNWHF-UHFFFAOYSA-N 474.542 3.645 50 10 JHGE CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 263622147 KYATVCPIZKQCNL-OWXRICPPSA-N 475.480 3.721 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccc(F)cc3)CC2)c(-c2ccccc2)n1 914458603 HDKQLTBTOOIIJE-FXBPSFAMSA-N 454.509 3.859 50 10 JHGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)COc2ccc(C3CCCCC3)cc2)c2ccccc21 1084254117 SELBMAJNDMZDQP-UHFFFAOYSA-N 490.604 3.849 50 10 JHGE C/C(=C\C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1449359582 ASKQLXRISGIGSR-GRNBYLDVSA-N 455.477 3.903 50 10 JHGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704398 UXZNLGVSEDWLAI-GOSISDBHSA-N 451.280 3.860 50 10 JHGE CC(C)(C)OC(=O)N(CCC(=O)NCC(=O)Nc1ccc(SC#N)cc1)Cc1ccncc1 1868153062 DGBMDKRADXYNSG-UHFFFAOYSA-N 469.567 3.537 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)C1)c1ccc(I)c(Br)c1 2020187302 GSAIOFIYNJBLCZ-XWEPSHTISA-N 472.946 3.957 50 10 JHGE COC(=O)c1c(I)ccc(CBr)c1I 2055324348 YUHHIFVDEIMLBX-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE COC(=O)c1c(I)ccc(I)c1CBr 2055331887 SVNGQOWYDZYYLD-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CC2(C1)OCCC[C@H]2Br 2159663271 UGVOFJOWNMJKBE-GFCCVEGCSA-N 467.983 3.980 50 10 JHGE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CBr)cc1 2163052413 DEAPKSHPNQAYNZ-KRWDZBQOSA-N 461.422 3.848 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2168746743 LRBHKXMLTOZLSS-HOTGVXAUSA-N 473.820 3.924 50 10 JHGE O=C(N[C@@H](CCl)C[C@@H]1CCCO1)c1ccc(Br)cc1I 2207267646 MZNUVCVCAPPNQM-MNOVXSKESA-N 472.548 3.960 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2ccc(Cl)c(I)c2)C1 2268354492 BZYQJSCQNJDOLB-VVTDQHDMSA-N 476.476 3.813 50 10 JHGE CN(C[C@@H]1CCC[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843787 CDOOSMXNAJPONQ-QFBILLFUSA-N 485.444 3.668 50 10 JHGE CC1(C)[C@@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338852058 KPAPIYHFJVSXAT-MRXNPFEDSA-N 485.444 3.668 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2364214935 QLXPXEIDJJGXMC-KSZLIROESA-N 497.455 3.668 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC(CCCBr)CC1 2364229912 FVWXUZCSVUJYNR-UHFFFAOYSA-N 472.019 3.972 50 10 JHGE CN(CC1CC(Br)C1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 2378614949 ATWPKDMTCLSEAC-FVKWTLKZSA-N 455.340 3.581 50 10 JHGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 10000447 NUPDDKQNXNGVEC-OFFHKIPUSA-N 468.362 3.505 50 10 JHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1C 10153823 IKXBKTPZXASIFW-IBGZPJMESA-N 461.587 3.925 50 10 JHGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10333886 UQWKOXSEKQMDAL-UHFFFAOYSA-N 477.586 3.639 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039485 IYPFTXYILSASAW-UHFFFAOYSA-N 454.910 3.946 50 10 JHGE CC(C)CCOc1cccc(C(=O)NNC(=O)c2ccccc2I)c1 14644583 UBVGPCXSAFMFHB-UHFFFAOYSA-N 452.292 3.791 50 10 JHGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1Cl 14666998 VUHCOCRTNHEFHF-UHFFFAOYSA-N 455.736 3.977 50 10 JHGE CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 27618612 HCUWBBMIAFZRQU-SANMLTNESA-N 495.583 3.684 50 10 JHGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(F)cc4)c(C)c32)cc1 101592521 RUVAVIFMNPGHKF-ZXVVBBHZSA-N 462.481 3.581 50 10 JHGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3n2C)cc([N+](=O)[O-])c1OC(C)C 169876343 OHKALDIJJWBSTA-JJFYIABZSA-N 457.512 3.520 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1CO 203712553 NFWFWDHQKIZYSJ-RTWAWAEBSA-N 455.671 3.933 50 10 JHGE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNC(=O)c1ccc(Br)cc1Cl 728827482 RMVZZDSJBMZWMR-QGZVFWFLSA-N 450.720 3.839 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2cccc3ccccc23)cc1 920853062 HQJOAYQAIRAHOM-PXLXIMEGSA-N 479.540 3.811 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1C 1083977412 ZZEAATYBXCJVOV-UHFFFAOYSA-N 466.519 3.557 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccccc2)cc1 1866856747 MTUZAVSHDMXRIK-HXUWFJFHSA-N 466.469 3.973 50 10 JHGE CCN1CCC[C@H]([C@H](Br)c2csc(I)c2)S1(=O)=O 2029069267 QIABCACGKKIHAG-MWLCHTKSSA-N 464.188 3.603 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](F)[C@@H](CBr)C1 2056996728 BAMQBLMKQNUPCG-WCBMZHEXSA-N 490.936 3.859 50 10 JHGE CCC[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2140772552 WOATVSWXPZKFNF-SJORKVTESA-N 485.444 3.526 50 10 JHGE CCC(CC)(CBr)CN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2163058801 NWBVVCOOJFGGIX-HHHXNRCGSA-N 469.490 3.600 50 10 JHGE CC(C)(C)[C@H]1C[C@H](CBr)CN(S(=O)(=O)N2CC(OCc3ccccc3)C2)C1 2165001317 YHBBGGAKIUJNDP-MSOLQXFVSA-N 459.450 3.511 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CCl)C[C@@H]2CCCC[C@H]21 2240733033 MOKCJXFJHPVGQJ-TXPKVOOTSA-N 453.004 3.511 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2325062323 DVRJLGUDAZYFRE-BTYIYWSLSA-N 493.692 3.582 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2364228769 QRCQLJNHVMYMEX-DJLDLDEBSA-N 470.003 3.581 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](NC[C@H]2C[C@@H](Br)C2)(C(=O)O)[C@H]1C(F)(F)F 2378836542 YTHOFZFOUMOGII-MEQWQQMJSA-N 459.303 3.535 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Br 2380913975 FSIIASIKNBEGEI-CAAIWKOSSA-N 497.455 3.570 50 10 JHGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 9229881 PHZBGZFAWTWPLM-OVCLIPMQSA-N 470.551 3.903 50 10 JHGE CC(C)COc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1 10280639 QRFWMVKZIWOFTF-UHFFFAOYSA-N 455.736 3.977 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1C 14040914 CNLQPIYSLRXAMP-UHFFFAOYSA-N 475.545 3.941 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OC(C)C)c(Br)c1 14664763 WWJULHDOBSUVQF-UHFFFAOYSA-N 494.411 3.513 50 10 JHGE C/C(=C\C#N)N1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)cc2C1=O 20983394 KTBWVXGXEHQXGJ-RVDMUPIBSA-N 482.496 3.891 50 10 JHGE O=C(NNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1)c1cc(-c2ccco2)nc2ccccc12 107920535 YMGRUIWSEPOYGI-QFIPXVFZSA-N 460.534 3.827 50 10 JHGE CS(=O)(=O)CCCOc1c(Br)cc(CBr)cc1Br 235030110 BZWMVZQDOIZRLV-UHFFFAOYSA-N 465.001 3.920 50 10 JHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 263626944 GEWGLRWXLGXNSG-UHFFFAOYSA-N 459.502 3.575 50 10 JHGE CC(=O)OCC(=O)[C@]1(OO)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](OC(C)=O)C[C@@]21C 504102482 OUZLVNAZQRKHBA-HXOYFYNKSA-N 492.540 3.535 50 10 JHGE C[C@H]1CCc2sc(C(=O)NNC(=O)C3CCN(C(=O)N(C)Cc4ccccc4)CC3)cc2C1 727365879 DHDTWYWKBRYNDR-KRWDZBQOSA-N 468.623 3.598 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1C 731334859 AHZVOLWTYQDMOT-RLDUHEAQSA-N 485.606 3.811 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 746181306 UVDJVALXDAZBSI-UHFFFAOYSA-N 464.927 3.983 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c1C 1083971874 HSRBTIAELZGWRG-JOCHJYFZSA-N 450.495 3.975 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 1084410250 JFSPJGNRZYTGHJ-UHFFFAOYSA-N 493.516 3.746 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 1614633283 JHDPTBWTLUIRTC-BXUZGUMPSA-N 477.255 3.889 50 10 JHGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCC(=O)Nc1ccccc1 1873795155 ULXYFYGEAPGPAK-BJRSOBTISA-N 496.564 3.562 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)C(=O)COc1ccc(Br)cc1Br 1887829836 OKQVCJWDVVKKHS-WPRPVWTQSA-N 455.972 3.832 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccccc1I 2010829353 VHMVHDZWVUEGSE-UHFFFAOYSA-N 482.409 3.927 50 10 JHGE O=C(OCc1ccccc1)N1CCC2(CC1)CCN2C(=O)N1CCC(Br)CC1 2044683764 IYPFXVMBVYTGRM-UHFFFAOYSA-N 450.377 3.843 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1c(Br)cccc1Br 2094087990 GIWTWELCFQHCGY-IUCAKERBSA-N 455.972 3.836 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@@H]2CCC[C@H]21 2162588145 BSALJYMACXWELA-YESZJQIVSA-N 459.406 3.648 50 10 JHGE CN(C[C@@H]1C[C@@H]1C(F)F)S(=O)(=O)c1cc(CBr)sc1Br 2179793660 XHKNXANPURALPI-XPUUQOCRSA-N 453.168 3.927 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)c1CBr 2188880689 AVYKYNFGWNWWIY-IEBWSBKVSA-N 453.402 3.686 50 10 JHGE O=S(=O)(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1ccc(Br)s1 2192574588 CFPHBGJJNAJZAI-HZGVNTEJSA-N 457.131 3.752 50 10 JHGE C#CC[C@](C)(CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2205646628 DACVECLNGUNMCX-CYBMUJFWSA-N 488.039 3.914 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H]2COC[C@@]2(CBr)C1 2234565754 IHQBAVPANVXXOJ-LKFCYVNXSA-N 467.983 3.695 50 10 JHGE COc1ccc([C@H](Br)c2nn(C)nc2Br)c(OC)c1Br 2235271422 YZJSMPAKHRVDSI-QMMMGPOBSA-N 469.959 3.842 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2OCC[C@@]2(CCl)C1 2296379890 FOKFYWPBHVIKIG-GXTWGEPZSA-N 470.532 3.524 50 10 JHGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)cc1 2296543661 VYPFDHQLGXOUBM-UHFFFAOYSA-N 452.470 3.719 50 10 JHGE C[C@@H](CBr)S(=O)(=O)N(C)Cc1c(Br)cccc1Br 2318205357 HCFDITMSOCBQNB-QMMMGPOBSA-N 464.017 3.757 50 10 JHGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NNC(=O)CSc1nc2ccccc2s1 2321684713 XRBJGPJIJNDHNC-UHFFFAOYSA-N 484.559 3.824 50 10 JHGE CC1(C)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CCl 2364211410 NAVYGCFOOVDRSN-KRWDZBQOSA-N 455.020 3.760 50 10 JHGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NNC(=S)NC(=O)c1ccco1 2751863 QACXPRBNOVEUOF-AWEZNQCLSA-N 476.352 3.688 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)cc1 14030550 FVXXXOOTKMNOSO-QGZVFWFLSA-N 457.596 3.949 50 10 JHGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)cc1 33600462 WWEGIRPAFPFDIB-JZJYNLBNSA-N 466.497 3.761 50 10 JHGE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccccc1O 33862706 LBPAKZZZNNAZHA-LGMDPLHJSA-N 475.617 3.677 50 10 JHGE CC/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1ccccc1 34687687 RCDMVVVMUCQFOV-JLPGSUDCSA-N 482.957 3.722 50 10 JHGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(-c2ccccc2Br)n1-c1ccccc1 59844922 HMCHRCUYAFRWJL-AWEZNQCLSA-N 488.411 3.981 50 10 JHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 196426460 PEDMJTBGYAMVDO-CMKODMSKSA-N 470.715 3.781 50 10 JHGE CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 1086833651 XPMKQPKEAQGRKN-DEOSSOPVSA-N 481.556 3.755 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cnn(-c3ccccc3)c2C(F)F)cc1 1207113327 DYWDKGKELPOQNS-CQSZACIVSA-N 457.437 3.633 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(-c3nnsc3Cl)c2)cc1 1671983565 YKRCNROQYORJOC-GFCCVEGCSA-N 459.915 3.681 50 10 JHGE O=C(CCCC[C@H]1CCSS1)NCCNC(=O)c1nc(CCn2ccc3ccccc32)no1 1860191856 NNYFTJVGZUMODU-SFHVURJKSA-N 487.651 3.827 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1860771574 ANHHTYSGKGVPQB-WDEREUQCSA-N 479.389 3.912 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(Br)ccc2I)[C@@H]1Cl 1910986477 QYLAJWQEASTTFU-QWRGUYRKSA-N 458.521 3.568 50 10 JHGE CC(C)(C)OC(=O)Nc1cccc2c1CCCN2S(=O)(=O)CI 1983326891 GKYPFGODPKFKAT-UHFFFAOYSA-N 452.314 3.509 50 10 JHGE Cn1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)C2(CBr)CCC2)n1 2008838698 WXZFZRPKAKAPQC-UHFFFAOYSA-N 477.222 3.691 50 10 JHGE COC(=O)Cc1ccc(OC(F)(F)F)c(I)c1CBr 2055371014 OVSXBJZWSXSXKK-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1c(Br)cccc1Br 2097943585 XVUITRYZAZZLSC-IUCAKERBSA-N 455.972 3.884 50 10 JHGE C[C@@]12CSC[C@H]1CN(S(=O)(=O)c1cc(CBr)sc1Br)C2 2179775709 NOOZWUWDSWBMMC-PRHODGIISA-N 461.266 3.779 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179951205 UKMARRRIEMDLRY-ROUUACIJSA-N 465.404 3.723 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1C 2314792479 DLXYWNDCCUCDQW-KRWDZBQOSA-N 484.936 3.796 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCc1ccc(Cl)cc1 2314795957 IXWCAUIXMTZMHG-UHFFFAOYSA-N 454.910 3.653 50 10 JHGE CN(Cc1c(Br)cccc1Br)S(=O)(=O)CCCBr 2318230134 NJZJMZMFFPMGIO-UHFFFAOYSA-N 464.017 3.758 50 10 JHGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510620 MUMCKHFIBNNDQZ-UHFFFAOYSA-N 477.586 3.639 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 12500735 ICQIZYKGJODHMR-UHFFFAOYSA-N 454.895 3.865 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825288 JIRKQKJGMDHFEC-OVVQPSECSA-N 479.537 3.829 50 10 JHGE COc1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761396066 BIWHBCVHKUGWKO-XTFSCAMASA-N 469.501 3.950 50 10 JHGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(OC)c1OC 1082753832 OTFIFYKNLRXMMP-UHFFFAOYSA-N 478.461 3.637 50 10 JHGE COc1ccc(CCNC(=O)C(=O)NN=Cc2cc(C)n(-c3cc(C)ccc3C)c2C)cc1OC 1084064640 WYZQJDRHYKAVDS-UHFFFAOYSA-N 476.577 3.537 50 10 JHGE C/C(=C\C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(C(F)(F)F)c1 1265353106 KLQMSNXVVIAZCW-WYMLVPIESA-N 455.477 3.903 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1ccc(Br)cc1 1674025678 KHOHFSZDQMINDG-MRXNPFEDSA-N 452.761 3.900 50 10 JHGE CCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(C)ccc21 1772720810 YTDCQHQPPOOSJM-UHFFFAOYSA-N 499.409 3.935 50 10 JHGE COc1ccc(S(=O)(=O)CCC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)cc1Cl 1866805609 JYPUKPDKRAIRKK-UHFFFAOYSA-N 496.010 3.619 50 10 JHGE CC(C)[C@H](Br)C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1955899878 QARLJCVUYJRXPW-AWEZNQCLSA-N 464.401 3.637 50 10 JHGE CCN(CCOCCBr)c1ncc(I)cc1Br 2015757946 XVLSXSSVAOGJPK-UHFFFAOYSA-N 477.966 3.687 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@H]2[C@H]1CBr 2086146967 HHNSEWOFUONTSV-HNBZJPLGSA-N 484.957 3.909 50 10 JHGE O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(CI)CC1 2154816217 YGKQCLFCHPWWRZ-UHFFFAOYSA-N 453.074 3.645 50 10 JHGE COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[C@H]2OCc2ccccc2)cc1CBr 2179860087 MUPCHUKGZNHRMH-UYAOXDASSA-N 454.386 3.958 50 10 JHGE CC(C)[S@@](=O)(=NC(=O)N1CCC(Br)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2183216423 OVDHVOJZVSYMRO-QZXCRCNTSA-N 466.442 3.852 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@H]2CBr)cc1Br 2199022188 HKXGVCQOXHHEDF-HOTUBEGUSA-N 488.039 3.924 50 10 JHGE O=S(=O)(Cc1ccsc1Br)N1CC[C@H](C(F)(F)CBr)C1 2234499715 VJOSAMXYVXZFNZ-VIFPVBQESA-N 453.168 3.693 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@]23C[C@](C)(CO2)C3)CC1 2247366087 GWJUSLICLOGMIP-MAEOIBBWSA-N 451.345 3.777 50 10 JHGE CN(Cc1ccccc1I)S(=O)(=O)CCC(CCl)CCl 2280336050 PJCJTEMZYQYPMD-UHFFFAOYSA-N 450.169 3.537 50 10 JHGE COc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(C(=O)O)cc1 2313568910 YRYHXBPFTICCKN-UHFFFAOYSA-N 459.296 3.730 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2364228768 QRCQLJNHVMYMEX-CIUDSAMLSA-N 470.003 3.581 50 10 JHGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2Cc1nn(C)cc1I 2367609884 CQKGOJZTGVCKPF-ODWCKFRGSA-N 452.178 3.941 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@@H](CBr)C[C@@H](C2)C1 2369333683 AGEJUUYQFBXYSJ-NNZMDNLPSA-N 497.455 3.526 50 10 JHGE O=C(/C=C/c1ccc(F)cc1)NNC(=O)COc1ccc(Br)cc1Br 12493100 CRBOSJGTCCXNQM-FPYGCLRLSA-N 472.108 3.590 50 10 JHGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 13985051 IXOVXLLALOQPFL-UHFFFAOYSA-N 462.344 3.500 50 10 JHGE COc1ccc(CNNC(=O)CCCCCNC(=O)c2ccccc2Br)cc1OC 34982376 VTMFMBYJABTDSN-UHFFFAOYSA-N 478.387 3.578 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 38683704 HMDFMHPVRKSEHA-RUZDIDTESA-N 470.481 3.848 50 10 JHGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1 40587844 QYBKGZXOEONERE-UHFFFAOYSA-N 459.418 3.874 50 10 JHGE COc1ccc(Br)cc1/C=N/NC(=O)N/N=C/c1cc(Br)ccc1OC 59502285 ATEWGTLOXOVEPX-VDEHPEQNSA-N 484.148 3.896 50 10 JHGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(O)c(O)c2)C1 394676480 SWBUXRMSTFPAKS-HZPDHXFCSA-N 453.276 3.885 50 10 JHGE COC1(CBr)CCN(C(=O)c2ccc(I)c(Cl)c2)CC1 401872955 ZUYLMVVYPFAQJH-UHFFFAOYSA-N 472.548 3.961 50 10 JHGE C[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccc(N2CCCC2=O)cc1 728950344 LIHVZQYSBDMVFY-GFCCVEGCSA-N 479.762 3.935 50 10 JHGE COc1ccccc1NC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761415168 KLGKZOGPYSKROU-RGEXLXHISA-N 455.474 3.561 50 10 JHGE CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1 855734623 BGEPWVONIOZRFE-UUMRFZBWSA-N 464.566 3.988 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1ccncc1 1083872352 LJKACNHJZZLQHX-UHFFFAOYSA-N 473.562 3.869 50 10 JHGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084244749 JRZQTLMITOWLGU-UHFFFAOYSA-N 471.966 3.690 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 1476131887 WDKASOHNGRPLFF-OAHLLOKOSA-N 456.499 3.856 50 10 JHGE C#CCCCC(=O)NNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 1597394294 WEPQMDSOKKFJKB-UHFFFAOYSA-N 459.546 3.789 50 10 JHGE Cc1csc2nc(Cl)c(/C=N/NC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)n12 1860773775 DYUJKCHQHRBEPL-WVVRSDANSA-N 489.026 3.965 50 10 JHGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865710172 QBXIDVVVTPTBLP-NRFANRHFSA-N 489.488 3.866 50 10 JHGE O=S(=O)(N[C@H](CBr)C[C@@H]1CCCO1)c1cc(Cl)c(Br)s1 1926748599 JWBSLZIIANAEIC-YUMQZZPRSA-N 467.632 3.775 50 10 JHGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 1958927976 HOHWEPZOFGMTGF-ITAUSPCMSA-N 482.440 3.976 50 10 JHGE O=C(CBr)c1cc(I)c(OC(F)(F)F)c([N+](=O)[O-])c1 2055115935 GZVZULBNDUEKNO-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE O=S(=O)(c1cc(CBr)cs1)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2123233073 ZUFZHIMGWKYBAU-ROUUACIJSA-N 455.443 3.786 50 10 JHGE O=S(=O)(c1cc(CBr)cs1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2123236318 GTCJLJRLRUJESD-ROUUACIJSA-N 455.443 3.786 50 10 JHGE ClC[C@@H]1C[C@H]2OCCN(c3ncc(I)cc3Br)[C@@H]2C1 2135045449 KVRJTUVSNAAEIZ-XXILOJSOSA-N 457.537 3.671 50 10 JHGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1cc(I)ccc1O 2153386524 PGUBHTOAKSVDKF-IWPPJYEWSA-N 450.114 3.917 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178081403 DTGQQOQTCKTTAK-KDDOJWQBSA-N 467.983 3.694 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H]2COC[C@@]2(CBr)C1 2234566728 LSEOVNXBKRTXEG-LKFCYVNXSA-N 467.983 3.695 50 10 JHGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1ccc(Cl)c(I)c1 2283665103 UFBYLVZCBLRXHF-ONGXEEELSA-N 472.548 3.865 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2I)C[C@@H]1Br 2340054359 MBCXFPIAOQEHKI-PTOFAABTSA-N 458.521 3.615 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)c1ccccc1 2364214964 ICAGGXYELNRGLE-HXUWFJFHSA-N 493.423 3.899 50 10 JHGE Cc1nc2c(cc1Br)nc(CCl)n2-c1c(I)cnn1C 2381857060 MHZSQASGJRMPLU-UHFFFAOYSA-N 466.508 3.568 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 12482822 CSUYLDNKIKFKBC-UFWORHAWSA-N 471.105 3.957 50 10 JHGE Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 13994035 UPKFEWCZUZSQPO-HNNXBMFYSA-N 457.324 3.904 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(F)c1 38678025 FBHXEFLKMSHYKV-HSZRJFAPSA-N 461.405 3.936 50 10 JHGE O=C(COc1ccccc1)NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 40659529 HHFXGLYGYJZELH-UHFFFAOYSA-N 483.794 3.718 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/Nc2ccc(F)cc2)CCC3)cc1 40823906 QQRUMDZPVATZHK-ZXVVBBHZSA-N 450.470 3.963 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=O)/C=C\c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 97985895 DLYBTVNTLNUAJV-SXGWCWSVSA-N 499.633 3.761 50 10 JHGE N#CSc1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)c([N+](=O)[O-])c1 109864335 OIZDYRLGCINWJF-LFIBNONCSA-N 459.443 3.900 50 10 JHGE CO[C@@H]1C[C@@H](CCl)N(C(=O)c2cc(I)ccc2Br)C1 311681102 QVIWQBDJBCAEAS-VHSXEESVSA-N 458.521 3.522 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 398757250 ZQFZTEBIFZDQHY-HBNTYKKESA-N 450.114 3.632 50 10 JHGE Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3ccccc3N(C)C(=O)C3CC3)cc2)n1 918250976 FCZGGLPOOAMTKS-UHFFFAOYSA-N 489.601 3.833 50 10 JHGE CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCS(=O)(=O)c3ccccc3)c2C)cc1 918590436 CKFCUIRDNOQFOG-OQKWZONESA-N 477.586 3.990 50 10 JHGE C#CCSCC(=O)NNc1c(Br)cc(Br)cc1Br 1126490665 PYGXTCIBKWGFIK-UHFFFAOYSA-N 456.985 3.784 50 10 JHGE COc1cc([C@@H](C)NC(=O)NNC(=O)c2cncn2-c2ccccc2)ccc1OC1CCCC1 1317880895 DIDOBWVFOLFAOB-QGZVFWFLSA-N 463.538 3.908 50 10 JHGE CCOC(=O)c1ncc(CBr)c(OC(F)(F)F)c1I 1848387591 GMYKYXYWKYTNAS-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860771413 VOILPHHJKGBAAI-UHFFFAOYSA-N 460.559 3.884 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c(OC)c2)cc1 1865706549 ZCTFVUAPXQKVEE-QGZVFWFLSA-N 458.396 3.832 50 10 JHGE CS(=O)(=O)c1csc([C@H](Br)c2cc(I)sn2)c1 2007647614 LRSWZJOHAUMXOW-SECBINFHSA-N 464.169 3.697 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@H](CBr)C1 2026221718 OKZFBZWOKMYMNV-MRVPVSSYSA-N 472.946 3.911 50 10 JHGE BrCCOCc1cn(-c2cc(I)ccc2Br)nn1 2029347096 DFVAJHZVNYECIW-UHFFFAOYSA-N 486.933 3.546 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1Br)N1CCN(Cc2ccccc2)CC1 2059315094 UXZBRIRWMLVWCS-UHFFFAOYSA-N 488.245 3.851 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NCC2(CBr)CCCC2)CC1 2107389055 GRCHGPIKOKXDGZ-AREMUKBSSA-N 452.459 3.897 50 10 JHGE O=C(NCC[C@H]1COC[C@@H]1Br)c1cc(Br)cc(Br)c1 2111278943 DZEQZOYJXPGQJK-UFBFGSQYSA-N 455.972 3.741 50 10 JHGE COc1cc(CBr)cc(Br)c1OCc1c(Br)nnn1C 2145947911 GWNSDWJCOSTUCL-UHFFFAOYSA-N 469.959 3.823 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 2179811510 LJTQPVFBKRCMJO-XLIONFOSSA-N 453.402 3.626 50 10 JHGE Cc1ccc(C(=O)N2C[C@@H](CBr)OC(C)(C)C2)cc1I 2232826806 LOQNGADMGQCKBI-GFCCVEGCSA-N 452.130 3.614 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CCO[C@]2(CCl)C1 2239897021 VSSNAZFSTMXGAO-QMTHXVAHSA-N 470.532 3.524 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2ccc(Cl)c(I)c2)C1 2268342704 TXGSTIOKKAQIDB-NXEZZACHSA-N 458.521 3.569 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CCO1 2268358758 MDEHDTKWBVRKMJ-PELKAZGASA-N 458.521 3.569 50 10 JHGE CN(Cc1ccccc1I)S(=O)(=O)c1ccc(CBr)o1 2280335229 LJJLBWZAQKGHGV-UHFFFAOYSA-N 470.126 3.600 50 10 JHGE C=CC[C@@]1(CBr)CCN(C(=O)c2ccc(I)c(O)c2)C1 2287784400 WEMNPUFWZHSKFM-HNNXBMFYSA-N 450.114 3.800 50 10 JHGE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1CCCN(CCOCCI)C1 2326652632 AMZGGKMCQMIPGZ-SJORKVTESA-N 466.404 3.940 50 10 JHGE Clc1ccc(CC[C@H](Br)CN2CCOCC2)cc1I 2337219576 UTOXGAPSGFEAHT-LBPRGKRZSA-N 458.565 3.973 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2ccc(Cl)cc2I)C1 2340068992 UMWGVDBUIHNLKN-PSASIEDQSA-N 458.521 3.569 50 10 JHGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1 10283723 PYFHXEWRWZDWOP-UHFFFAOYSA-N 470.595 3.655 50 10 JHGE Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 10737048 UPQLLPIQOUASLW-UHFFFAOYSA-N 480.521 3.501 50 10 JHGE COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 35550851 BSTHMVXQRJNSLS-UHFFFAOYSA-N 458.268 3.523 50 10 JHGE CCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 38608916 QIJAOUHSMSRXJO-XSFVSMFZSA-N 454.523 3.810 50 10 JHGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)ccc1O 58992103 XKBPOWPEHZFPRT-VULFUBBASA-N 474.546 3.676 50 10 JHGE C=CCOc1cccc(C=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)c1 254291658 MLUXTZOQLNEFEI-OAHLLOKOSA-N 469.563 3.703 50 10 JHGE COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1COc1ccc([N+](=O)[O-])cc1 254747262 YLLFABCBEWRRJX-UHFFFAOYSA-N 495.488 3.972 50 10 JHGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)N3CCN(c4ncccn4)CC3)c2)cc1 586671415 YAEUMDMEMMPUSS-UHFFFAOYSA-N 459.535 3.656 50 10 JHGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)N[C@H](C)c3nc(C)cs3)c2)c(C)c1 727942413 JPZUKONEHZCBCR-MRXNPFEDSA-N 487.607 3.574 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccccc1[N+](=O)[O-] 1083925400 LBNXIEWGNMZCHM-UHFFFAOYSA-N 465.539 3.535 50 10 JHGE C/C(=C/c1ccco1)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1290080356 DHTWENAADJIMBW-OWBHPGMISA-N 459.911 3.598 50 10 JHGE C=CCn1ncc2ccc(NC(=O)NNC(=O)[C@@H](C)Oc3cccc(Br)c3)cc21 1627746988 XHDZLRHCVMAHFB-CYBMUJFWSA-N 458.316 3.605 50 10 JHGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1O 1865683250 BJPHEFKCQZSWTB-GOSISDBHSA-N 453.296 3.876 50 10 JHGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1866126937 YUWBDDAKYUEQKD-XMHGGMMESA-N 451.523 3.875 50 10 JHGE O=C(c1csc(Br)c1Br)N1CC(I)C1 1904389083 AJLDEKGZEWICTH-UHFFFAOYSA-N 450.921 3.533 50 10 JHGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)N1CCC(Br)CC1 1959546377 ZJROELNADCDWSC-UHFFFAOYSA-N 490.464 3.508 50 10 JHGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1sccc1I 2041117476 XNBKBWPCKAXEQO-SNVBAGLBSA-N 450.086 3.988 50 10 JHGE CCOc1ccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1CBr 2145939722 SLEUSKDTRGZQAY-UHFFFAOYSA-N 495.395 3.798 50 10 JHGE O=C(c1cccc(F)c1I)N1CC[C@@H](CBr)C(F)(F)C1 2146382763 KSHZYYWSYBLJMG-QMMMGPOBSA-N 462.047 3.923 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CCC(Br)CC2)C1 2156001679 UUIRXQGAHRFJJY-UHFFFAOYSA-N 497.455 3.668 50 10 JHGE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CCCCCCCCCBr 2163059814 WUWAMRDHGKAHNE-FQEVSTJZSA-N 451.446 3.700 50 10 JHGE CO[C@]1(CBr)CCCN(C(=O)c2ccc(I)c(C)c2)C1 2207101745 HTVJUBCOSPSKMV-HNNXBMFYSA-N 452.130 3.616 50 10 JHGE O=C(N[C@H](CCl)C[C@H]1CCCO1)c1ccc(Br)cc1I 2207267648 MZNUVCVCAPPNQM-WDEREUQCSA-N 472.548 3.960 50 10 JHGE COCCN(C[C@H](C)Br)c1ncc(I)cc1Br 2250502151 ZSYDYYADCKTWIN-QMMMGPOBSA-N 477.966 3.685 50 10 JHGE COCC12CC([C@H](Br)c3ccc(OC)c(I)c3)(CO1)C2 2285005817 FMPCIAOHSLKNKJ-WLYUNCDWSA-N 453.114 3.931 50 10 JHGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(C)cc2C)nc2c(C)cccn2c1=O 2296544492 OTNCJGJWTOHCBB-UHFFFAOYSA-N 460.534 3.862 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@H]2CC(CBr)C[C@@H](C2)C1 2342575749 ZCYWOLANVRDYTJ-UWVGGRQHSA-N 455.159 3.631 50 10 JHGE C[C@H](CCBr)CNS(=O)(=O)c1cc(Br)ccc1Br 136702960 BBHLASURZURLGX-MRVPVSSYSA-N 464.017 3.911 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370333019 RBVHXTNTQHANLG-KLHDSHLOSA-N 465.369 3.867 50 10 JHGE CCn1c(SCC(=O)NN=C(C)c2ccc(OC(C)=O)cc2)nnc1-c1ccc(OC)cc1 254866326 FWFMBVISWYZJID-UHFFFAOYSA-N 467.551 3.531 50 10 JHGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)ccc1O 1084166382 XKBPOWPEHZFPRT-UHFFFAOYSA-N 474.546 3.676 50 10 JHGE O=C(N[C@@H](CBr)c1ccsc1)c1cc(I)ccc1O 2119037096 CCBAZWLJAOMGNN-NSHDSACASA-N 452.111 3.924 50 10 JHGE O=C(c1cc(I)sn1)N1CCC[C@]2(CBr)CCC[C@H]12 2120030146 BDGSUEMALNPXIE-GWCFXTLKSA-N 455.159 3.918 50 10 JHGE C=C(C)[C@@H](NC(=O)NNC(=O)c1ccc(OC)c(Br)c1)c1ccc(F)c(F)c1 1469853871 ONGVSVVJBFXOEX-QGZVFWFLSA-N 454.271 3.997 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744701 GQWOPORLYRLPAJ-UHFFFAOYSA-N 464.909 3.787 50 10 JHGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NCc3ccc4c(c3)OCO4)c(C)c21 1772746623 YMETYUVUWCQWEF-UHFFFAOYSA-N 475.501 3.726 50 10 JHGE O=C(CCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc(Cl)cc1Br 13998783 FVWHXROMMWMNCC-UHFFFAOYSA-N 497.773 3.585 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(Cl)cc1 14041872 UTGZVEXRWFNASY-UHFFFAOYSA-N 453.951 3.911 50 10 JHGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccc([N+](=O)[O-])cc1 14642193 IAJLYYWHEWFQBR-UHFFFAOYSA-N 470.279 3.864 50 10 JHGE Cc1csc2nc(Cl)c(/C=N\NC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CCCC5)n12 1860773930 KCYFXYDDMKOCOY-VJARXWHPSA-N 474.999 3.719 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc(OC)c1O 1865714420 JVLYNGCKUMOMBC-FQEVSTJZSA-N 470.888 3.973 50 10 JHGE CN1CCN(C2CCC(C(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)CC2)CC1 1867285084 UJPBXRVJHPEPBS-GCKKQHTFSA-N 491.661 3.862 50 10 JHGE CCOc1cc(C=CC(=O)NNC(=O)COc2ccccc2OC)ccc1OCc1ccccc1 2040430951 YPOKCYIGBVRPDT-UHFFFAOYSA-N 476.529 3.913 50 10 JHGE CC1(C)[C@H](CCl)OCCN1C(=O)c1cc(Br)ccc1I 2159643866 RZSYWNWASVXGAW-LBPRGKRZSA-N 472.548 3.912 50 10 JHGE O=C(N[C@@H]1CC[C@@H](C(F)(F)F)N(CCCCCI)C1)C(F)(F)F 2214705166 OBKUFUYFXNRGCK-ZJUUUORDSA-N 460.200 3.666 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[C@@H]1Br 2221693358 OTIAKLPXEFFCHM-AEGPPILISA-N 476.209 3.785 50 10 JHGE O=S(=O)(c1sccc1Br)N1CCC(CBr)(C(F)F)CC1 2289963362 KTSPNKXDENUBMN-UHFFFAOYSA-N 453.168 3.942 50 10 JHGE COC(=O)[C@@H](CCBr)Oc1cc(Br)cc(I)c1 2301129959 QHIOLQHUHWVXQK-SNVBAGLBSA-N 477.918 3.759 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NS(=O)(=O)c3ccc(CBr)cc3)C[C@H]2C1 1260511079 KXMFOVLOZYMPLR-MUJYYYPQSA-N 459.406 3.505 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)C=Cc1ccc(Cl)cc1 2313864439 OGBXBYHZIVRGES-UHFFFAOYSA-N 482.787 3.525 50 10 JHGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc([N+](=O)[O-])c(C)c1 2314808167 LNLMUHRBSJUSGD-UHFFFAOYSA-N 491.456 3.713 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(CCOCCI)C2(CCCCC2)C1 2306800075 UCHHBIVBHNCAFF-HNNXBMFYSA-N 452.377 3.740 50 10 JHGE NNC(=O)[C@@H]1CC[C@@H](CSc2cc(I)ccc2Br)C1 2338333132 OZHIPISKKVFSLP-RKDXNWHRSA-N 455.159 3.552 50 10 JHGE C[C@H]1C[C@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843514 AKLWTSCYESOXGO-DLBZAZTESA-N 485.444 3.668 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355687360 BAUNPSTUCPDPPG-XTWCZFFVSA-N 467.983 3.694 50 10 JHGE COc1ccc(OCC(=O)NN=Cc2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c(Br)c1 2067822 IQRLXCGEVJUEBL-UHFFFAOYSA-N 461.272 3.685 50 10 JHGE COc1ccccc1/C=C/C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 10000327 DICMJIMECLPJQH-BQYQJAHWSA-N 498.171 3.768 50 10 JHGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1C 10151573 BPYDNDYVHBPABJ-CYBMUJFWSA-N 455.736 3.713 50 10 JHGE CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)CCl 34832084 ANLGWVYCFRTOCU-KRWDZBQOSA-N 450.002 3.828 50 10 JHGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)c(Br)c1O 58888478 FSSPCNVMECECOF-CROSZVBWSA-N 486.160 3.890 50 10 JHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@H]2O[Si](C(C)C)(C(C)C)O1 196426449 PEDMJTBGYAMVDO-WSTZPKSXSA-N 470.715 3.781 50 10 JHGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3cc(C)sc3C)nnn2-c2nonc2N)cc1 263629184 ZXFSPNDZXZVEQQ-UHFFFAOYSA-N 480.554 3.521 50 10 JHGE O=C(CBr)c1c(I)ccc(F)c1I 306700176 JEJSXABQPOYNJW-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE CC(C)(CNS(=O)(=O)c1cc(Cl)c(Br)s1)OCCBr 311524443 PZKFXGJKYJNBAP-UHFFFAOYSA-N 455.621 3.632 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H](c2cc(O)cc(O)c2)[C@@H](CI)C1 382692836 ULIPYZOKGRXGAL-MAUKXSAKSA-N 453.276 3.885 50 10 JHGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(O)cc(O)c2)C1 382692839 ULIPYZOKGRXGAL-QAPCUYQASA-N 453.276 3.885 50 10 JHGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)cc2)S(C)(=O)=O)cc1C 1083962978 SYBKJMAAXQWHGD-UHFFFAOYSA-N 480.546 3.942 50 10 JHGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)[C@@H](O)c1ccccc1 1083991443 IDOXFZRCDHTHIO-NRFANRHFSA-N 482.309 3.689 50 10 JHGE CCOc1ccc(C=NNC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Br)cc2)cc1 1084084633 BDSKIUJSUSDGNJ-IBGZPJMESA-N 457.328 3.626 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC(F)(F)C1 1260508932 YSRDLXINBRRGLM-CYBMUJFWSA-N 469.348 3.505 50 10 JHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)CC1 1772751501 SGYWDIYVFPHCEK-UHFFFAOYSA-N 488.544 3.632 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1cc(Br)ccc1O 1865695489 DKBUJOBMPGKCAX-CQSZACIVSA-N 478.228 3.972 50 10 JHGE CC(C)CSc1ccc(C(=O)NNC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 1865757940 BLEKQUOBGSJITJ-HXUWFJFHSA-N 453.564 3.517 50 10 JHGE O=C(NC[C@H]1C[C@@H]1Br)c1cc(Br)ccc1I 1991444684 GIYLLWUCQKIHED-MUWHJKNJSA-N 458.919 3.567 50 10 JHGE O=S(=O)(NC[C@@H](Br)CBr)c1ccc(Cl)c(Br)c1 2005152262 XGONBQGGRDCPTK-LURJTMIESA-N 470.408 3.539 50 10 JHGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@]12CCOC2)C(=O)OC(C)(C)C 2021276908 NNMKZZSKEBFJOO-WBAXXEDZSA-N 453.361 3.880 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1scc(Br)c1Br 2036673836 QOPSBJDXIXTVEO-RNFRBKRXSA-N 462.001 3.945 50 10 JHGE CN(C)C[C@@H](Br)CN(C)C(=O)c1cccc(Br)c1Br 2092332359 DWWMLNMFEUESJS-SECBINFHSA-N 457.004 3.609 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2167011903 TZFAIHJGULIVTN-GJYPPUQNSA-N 497.455 3.667 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@](=O)(=NCCCCI)C2 2243588229 AVZMWJUMUHPASC-QMHKHESXSA-N 456.390 3.843 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2279520574 IEEFRVZLJZUYFH-FRQCXROJSA-N 497.455 3.667 50 10 JHGE CN(Cc1cccc(I)c1)S(=O)(=O)[C@H]1CC[C@@H](CBr)C1 2280350939 CTYHAEYUQKNWNK-RISCZKNCSA-N 472.186 3.616 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(CCOCCI)C2)C1 2306802851 SOHCNDLWTQCXOC-SFHVURJKSA-N 452.377 3.551 50 10 JHGE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3cccc(Br)c3)cc2)n1 2329696550 OXTVPYDFDZEICD-UHFFFAOYSA-N 498.362 3.894 50 10 JHGE CC(C)C[C@H](N)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 59160764 SAESEZNLKXOARB-BPDXMKQKSA-N 490.345 3.565 50 10 JHGE CCC[C@@H](CBr)Cn1cnc(I)c1I 308553639 RDVPBOHJFZICFV-ZETCQYMHSA-N 482.929 3.904 50 10 JHGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1Br 387950628 WACRERGEEAYGKY-WRWORJQWSA-N 472.946 3.909 50 10 JHGE CCN(CC)C(=O)[C@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 854206752 FXJJCHBHEUPRMK-HZGBGQKMSA-N 453.930 3.824 50 10 JHGE C=CC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)C1 1146475840 ULXGJJPDGPHJFC-HNMKQIAWSA-N 451.958 3.801 50 10 JHGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)cc1OC 1772744239 BMZAZYOLFVFKSL-UHFFFAOYSA-N 491.544 3.754 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 1866855569 ORQHGGTVFFYJGC-NRFANRHFSA-N 480.496 3.843 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1C(=O)Nc2c1ccc(Br)c2F 1900275725 DCTACZQEQLIZHF-VHSXEESVSA-N 452.118 3.912 50 10 JHGE O=C(NC[C@@H](Cl)C(F)(F)F)c1cc(Br)ccc1I 2077140443 SHBQAPFLTXQGNZ-MRVPVSSYSA-N 456.427 3.953 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H]1[C@H]2CBr 2082881358 AONOWZJTKUCREE-VHRDEZTHSA-N 484.957 3.909 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCOC[C@@H](CBr)C1 2098237935 NURGQTWFVFQBPG-VIFPVBQESA-N 455.972 3.695 50 10 JHGE CO[C@@H]1C[C@H](Cl)CN(C(=O)c2cc(I)ccc2Br)C1 2109019773 BXUSSSDTRKQVRT-WCBMZHEXSA-N 458.521 3.522 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1[C@H]2COC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2257993957 IWUNFYBUNFFFBY-USTZCAOPSA-N 491.720 3.800 50 10 JHGE O=C(NCC1(CBr)CC(F)(F)C1)c1ccc(F)cc1I 2281656756 PPCJKFFEKMBMJE-UHFFFAOYSA-N 462.047 3.971 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2COCC2(C)C)C1 2301193703 DNIYBMLJEJLOTO-KSSFIOAISA-N 453.361 3.880 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@@]1(C)CCN1C(=O)OC(C)(C)C 2325069806 HPEBPKWQUIAHQZ-NHCUHLMSSA-N 493.692 3.725 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1ccc(Cl)cc1I 2340061470 OHBUMXRYTOSLEO-WCBMZHEXSA-N 458.521 3.617 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@H]1CCCC[C@H]1Cl 2364213045 DHFIUORXTUNQEW-YLJYHZDGSA-N 455.020 3.950 50 10 JHGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 10295844 VTOZNPKIVPAZCH-CQSZACIVSA-N 494.411 3.649 50 10 JHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccccc1Cl 12501707 ANJVOLVJWQDYMX-UHFFFAOYSA-N 473.769 3.701 50 10 JHGE O=C(CCC(=O)Nc1ccccc1)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502504 OWHVPQHBGKWYCJ-UHFFFAOYSA-N 460.968 3.609 50 10 JHGE COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816266 MBPFGDBACZKMNH-WGOQTCKBSA-N 482.364 3.897 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c1C 58890465 HSRBTIAELZGWRG-OOEUXUOGSA-N 450.495 3.975 50 10 JHGE CCCOc1c(OCC)cc(/C=N\NC(=O)CSc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 169886266 MVGYBAFURHHOEB-UUYOSTAYSA-N 457.512 3.901 50 10 JHGE O=C(NC[C@H]1CCCC[C@H]1CBr)c1ccc(I)c(O)c1 236589396 NWCOYTPLCWNJMK-NWDGAFQWSA-N 452.130 3.928 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1Br)c1ccc(Cl)c(Cl)c1 252632856 VXNWBBDYEPCLHK-UHFFFAOYSA-N 479.183 3.672 50 10 JHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)[C@@H](Br)C2=O 256019094 KKSNEYRTVHEHDO-RZAIGCCYSA-N 462.171 3.913 50 10 JHGE CN(CCBr)CCN(C)C(=O)c1cc(Br)sc1Br 691268863 PXCITKAUUMEELW-UHFFFAOYSA-N 463.033 3.672 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)Oc2cccc(C(=O)NC3CC3)c2)c(-c2ccccc2)n1 917054368 DWCKYYCWROIIAE-ZHZULCJRSA-N 451.486 3.869 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(O)cc2Br)cc1 1084122013 ZTBOLWLNTVUABV-KRWDZBQOSA-N 451.317 3.526 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084641133 AFYMKDQADUSFEA-LZYBPNLTSA-N 459.296 3.730 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)c1 1651317449 MQTOJEKAFLIUKX-HOJAQTOUSA-N 456.612 3.801 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCC(=O)c3ccc(C)cc3)c(C)n2)cc1OC 1865758365 WUIJEYQFICIIKH-UHFFFAOYSA-N 461.518 3.807 50 10 JHGE O=C(NOCCCNC(=O)[C@@H]1C[C@H]1Br)OCC1c2ccccc2-c2ccccc21 1877404584 KURPECTTWBZZAJ-UYAOXDASSA-N 459.340 3.746 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCCC2)C[C@H]1CCl 1912781214 ZZLXHYAJSLWHDB-KRWDZBQOSA-N 453.004 3.656 50 10 JHGE Cc1cc(C(=O)CBr)cc(I)c1I 2060159439 OYXVXYDLLCQBAU-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE O=S(=O)(NC[C@H]1C[C@@H](Br)C1)c1cc(Br)ccc1Br 2076177818 IHOHVOFPQVNOJN-OTSSQURYSA-N 462.001 3.663 50 10 JHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1cc(Br)ccc1Br 2097945429 KOWJAVLSTASSHC-ZJUUUORDSA-N 455.972 3.884 50 10 JHGE CCN(CC)S(=O)(=O)C[C@H](Br)c1ccc(I)c(C)c1 2142107362 PVINMXDUNIUCRB-LBPRGKRZSA-N 460.175 3.707 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@@H](C(F)(F)F)C1 2179790467 DYZCSWAQCUMQDD-ZCFIWIBFSA-N 457.131 3.978 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179870844 RSSNTNWWEJSNTN-FQEVSTJZSA-N 453.402 3.851 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CCO[C@]2(CBr)C1 2239903239 KUSCILAWYCUPRR-QMTHXVAHSA-N 467.983 3.838 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240730906 LRLFJEASYKZJKH-BXWFABGCSA-N 497.455 3.667 50 10 JHGE CCN1CCC[C@@H]([C@@H](Br)c2c(F)cccc2I)S1(=O)=O 2282903485 IRCYGYZWYVYNAC-WCQYABFASA-N 476.149 3.680 50 10 JHGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1ccc(Cl)c(I)c1 2283665100 UFBYLVZCBLRXHF-GXSJLCMTSA-N 472.548 3.865 50 10 JHGE CN([C@H]1CN(C(=O)OC(C)(C)C)CC12CC2)S(=O)(=O)c1ccc(CBr)cc1 2286984816 PDOFIQSPJOMPDW-INIZCTEOSA-N 459.406 3.602 50 10 JHGE C[C@H](Cl)CN(CCC(C)(C)C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2288020702 IHMSFIFOUBURQU-BTYIYWSLSA-N 460.999 3.706 50 10 JHGE CC(C)(CBr)CS(=O)(=O)N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2290083185 KUPNAZYJCBQJAY-UHFFFAOYSA-N 467.420 3.971 50 10 JHGE COc1c(Br)cc(Br)cc1C=CC(=O)NNC(=O)c1cccs1 2313630089 IKPDRIWNIAZVDT-UHFFFAOYSA-N 460.147 3.756 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)NCC(F)(F)C(F)(F)CBr 2361676215 FNBMWGXQZNPUTA-UHFFFAOYSA-N 463.110 3.763 50 10 JHGE CCC[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2364190389 MITBPOYJSPWABW-MSOLQXFVSA-N 499.471 3.916 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCC[C@H](CCl)C1 2364195905 UXGSMESNSXRMPI-ROUUACIJSA-N 455.020 3.808 50 10 JHGE O=C(NC[C@]1(CBr)CCCOC1)c1ccc(Cl)cc1I 2365592654 PBQFEZGMSNYXRK-CQSZACIVSA-N 472.548 3.866 50 10 JHGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OCC)c1 958032 DBQGCNDRLKBBJR-IUZFBFHQSA-N 490.512 3.782 50 10 JHGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 10283975 CQYMKWPKOQBUGP-QGZVFWFLSA-N 465.575 3.978 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3cc(C)ccc3C)cc2)c1 13976174 CLFIHVDMCJXNEM-UHFFFAOYSA-N 490.585 3.579 50 10 JHGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14033053 HJEZGRNJNLSOTF-UHFFFAOYSA-N 482.606 3.944 50 10 JHGE COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2OC)o1 20228658 WIJYUGSRTDFCTH-BHGWPJFGSA-N 487.852 3.979 50 10 JHGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(F)cc1 40611764 ITWASIUJPKZFJW-UHFFFAOYSA-N 450.474 3.740 50 10 JHGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1Nc1ccc(Br)cn1 40779827 VVPRXAAXTNLPMC-UHFFFAOYSA-N 450.300 3.870 50 10 JHGE COCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815415 OGHFTCVBHLFEAG-XHLNEMQHSA-N 459.546 3.953 50 10 JHGE CCCCOCCOCCOCCO[C@H](CCl)[C@H](I)CCl 162614123 YCLAVCQKIHHPAZ-ZIAGYGMSSA-N 457.176 3.503 50 10 JHGE O=C(NN=Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254479843 VOEDBHGNCMMHRS-UHFFFAOYSA-N 460.456 3.857 50 10 JHGE CO[C@]1(CBr)CCCN(C(=O)c2ccc(I)c(Cl)c2)C1 401864869 BSPDWXDDBRLXES-AWEZNQCLSA-N 472.548 3.961 50 10 JHGE C[C@@H](Br)Cc1cn(-c2ccc(Br)c(I)c2)nn1 709374166 JNYCPYKWDNVZPE-SSDOTTSWSA-N 470.934 3.960 50 10 JHGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 1083931564 VHWUITPBRAZOQX-UHFFFAOYSA-N 465.481 3.901 50 10 JHGE N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084013918 XIIXSMDEWZZRFZ-MHWRWJLKSA-N 460.317 3.713 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 1084446372 FOQJAFPDAQZFNR-UHFFFAOYSA-N 493.585 3.601 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748040 XQMNZKUEGSKKOV-UHFFFAOYSA-N 490.472 3.877 50 10 JHGE COc1ccc(OCCNC(=O)[C@H](Br)Cc2ccccc2Br)cc1 1858180978 BFJWNENBFFWLKS-QGZVFWFLSA-N 457.162 3.959 50 10 JHGE CCN(CC)CCN(C(=O)/C(C#N)=C/c1cccc(Br)c1)C(=O)c1ccc(N)cc1 1866366686 ONRVKNIXEXSDOH-XMHGGMMESA-N 469.383 3.949 50 10 JHGE CCC[C@@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1867219591 JJGBRTXWDIKRFC-OAQYLSRUSA-N 481.622 3.557 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1cscc1Br 2023039242 IXPYXLFSGOARCE-IONNQARKSA-N 452.177 3.639 50 10 JHGE Cc1cc(C(=O)NCCCCCI)ccc1I 2026130884 NCRKCOZDGFZPRY-UHFFFAOYSA-N 457.093 3.935 50 10 JHGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(CBr)c(Br)c2)C1 2059390004 JBVWWGDVTKTEQV-UHFFFAOYSA-N 488.245 3.849 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC2(CCC2)C[C@H]1CBr 2151515840 LOPVVAXSXBGUKX-NSHDSACASA-N 450.114 3.777 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162595668 YOIPQIYSAUANKT-RDJZCZTQSA-N 461.422 3.943 50 10 JHGE CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163050570 LAQTYYGPTCECJJ-MRXNPFEDSA-N 461.422 3.992 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(CBr)cc1)C2 2163053368 MXHZTJONWMXJSJ-JYJNAYRXSA-N 459.406 3.648 50 10 JHGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1occc1CBr 2179826434 RXLAFRYLBQXBFJ-DFNIBXOVSA-N 453.402 3.991 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCOC(F)(F)F)C1 2242768177 QWQFDQXKDVMSFL-ZDUSSCGKSA-N 453.239 3.744 50 10 JHGE CCOC(=O)[C@@H]1C[C@@H](I)[C@H](OC2CCN(Cc3ccccc3)CC2)C1 2259462527 ILRATIYCPRYVDQ-BHIYHBOVSA-N 457.352 3.813 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NCC[C@@H]1COC[C@@H]1Br 2295311628 MZWCLENJCJZESA-MFKMUULPSA-N 469.999 3.670 50 10 JHGE O=[N+]([O-])c1ccc(O)c(C=NCCSSCCN=Cc2cc([N+](=O)[O-])ccc2O)c1 2296453287 ILORXTICBAGNCW-UHFFFAOYSA-N 450.498 3.834 50 10 JHGE C[C@@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CCN1Cc1ccccc1 2325588856 VDCWYKOCRIUYIO-JPYJTQIMSA-N 483.700 3.990 50 10 JHGE CC[C@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1Cc1ccccc1 2325591882 SRKBFCDHBOIRGE-CVDCTZTESA-N 483.700 3.990 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 2325903313 WJYZEKBADBJUKW-VXGBXAGGSA-N 473.942 3.856 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2C[C@H](Cl)CC[C@H]21 2364215232 JCWGCRDNQBAKOG-MBOZVWFJSA-N 453.004 3.655 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)CC2(CCC2)C1 2364217679 VZANMIWJEGABHV-KRWDZBQOSA-N 497.455 3.812 50 10 JHGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1cccc(Cl)c1 40611410 ZJSHGYUYFBGXHX-UHFFFAOYSA-N 488.335 3.775 50 10 JHGE COCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 40826586 DGGKISAFTZHICR-ZXVVBBHZSA-N 451.523 3.727 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)cc1 58893913 FRMBRTLVRWCTSM-AXKQXYKKSA-N 483.348 3.908 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC(Br)CC1 125715625 WMPHJWAUHPRMSF-UHFFFAOYSA-N 462.001 3.760 50 10 JHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(F)cc3)cc2)cc1 254750382 NXJLYDBPZRKZBM-UHFFFAOYSA-N 477.492 3.714 50 10 JHGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 254824570 ZRFYKTODMJTUEJ-UHFFFAOYSA-N 462.462 3.661 50 10 JHGE CCn1c(SCC(=O)NN=C/C=C\c2ccccc2)nnc1-c1ccc(OC)c(OC)c1 254877745 PGYLEZTXBNTVNC-OFJNXEFMSA-N 451.552 3.890 50 10 JHGE COc1c(I)ccc(I)c1CBr 306590503 XXNIYUSBNHRRFS-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE O=S1(=O)CC[C@@H]([C@@H](CBr)Cc2cc(Cl)ccc2I)C1 405524017 KDCNTCJUJJLWLX-MWLCHTKSSA-N 477.589 3.933 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OC(C)=O)cc2Br)cc1 1083974481 KSTNEDULJNQCHM-IBGZPJMESA-N 493.354 3.746 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCC(=O)OCC 1084206362 MEWICTFJIPAECZ-QFIPXVFZSA-N 468.550 3.720 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)COc3c(C)cc(C)cc3C)c3ccccc32)cc1 1084597719 AAYRWWMHAQPVFP-UHFFFAOYSA-N 484.556 3.805 50 10 JHGE CC(=O)CCc1ccc2oc(C(=O)NNc3nc(Br)cn4ccnc34)c(C)c2c1 1638425419 SQSIROGKSYSXGM-UHFFFAOYSA-N 456.300 3.825 50 10 JHGE COc1cc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OC(=O)c1ccccc1 1873793084 VUFCBGBDRHIDTB-RWPZCVJISA-N 486.480 3.858 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1877420119 RKLQUCHRLNINGT-KZNAEPCWSA-N 455.393 3.728 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC=C[C@H](Br)C1 2026221813 PRRLREFWDGHGMX-VIFPVBQESA-N 470.930 3.829 50 10 JHGE O=C(NCC[C@@H]1COC[C@H]1Br)c1cc(Br)c(Br)s1 2048658458 GPDLSWKXVMCADF-HTRCEHHLSA-N 462.001 3.803 50 10 JHGE N#CCc1cc(I)c(I)c(CBr)c1 2060171115 YGJIYNKTBSJNCM-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE O=C(NC[C@H]1CCC2(CCC2)[C@H]1Br)c1cc(I)sn1 2120030678 DNVURONDZULLQL-KCJUWKMLSA-N 455.159 3.821 50 10 JHGE O=C(NCC12CC(CCl)(CO1)C2)c1ccc(Br)cc1I 2207268017 JNZWCAOTZLTTJZ-UHFFFAOYSA-N 470.532 3.572 50 10 JHGE O=C(N[C@@H]1CC[C@@H]1CBr)c1cc(Br)ccc1I 2213318522 OWUXKIAIMJFQMS-RDDDGLTNSA-N 472.946 3.957 50 10 JHGE COC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 2294522371 KHWGXOYKHRFFKB-CQSZACIVSA-N 473.323 3.794 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CCOC[C@@H]1CBr 2295310818 BWMPHRFKCZQOKO-GXFFZTMASA-N 469.999 3.670 50 10 JHGE CCOC(=O)c1ccccc1NC(=O)C(C#N)=CNCCc1ccc(OCC)c(OCC)c1 2324430250 FSQHOVUUNHJHTG-UHFFFAOYSA-N 451.523 3.839 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC2(CC[C@@H](CBr)O2)C1 2361883191 NCNQXBFHMLCKOD-JTQLQIEISA-N 470.532 3.713 50 10 JHGE CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 28063625 JUQYODWCPWLHDX-BEFAXECRSA-N 450.564 3.724 50 10 JHGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 59844793 ZJCNKPWCCOXZPE-CQSZACIVSA-N 488.411 3.981 50 10 JHGE O=C(OCc1ccccc1)N1CC[C@@H](CI)[C@@H](I)C1 307529468 LSGAMPIIHLUEBN-STQMWFEESA-N 485.103 3.884 50 10 JHGE CC(C)C[C@@H](C(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)N1C(=O)c2ccccc2C1=O 1858081879 MXJWXSZJYHHZLQ-FQEVSTJZSA-N 494.548 3.506 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Br 1924801468 MPCMDYUTWMWAJN-MAUKXSAKSA-N 497.455 3.572 50 10 JHGE O=S(=O)(NC[C@H](Br)CBr)c1c(Cl)cccc1Br 2005149315 BNJANDXUYVBGHN-ZCFIWIBFSA-N 470.408 3.539 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@]2(CBr)C1 2029657755 SEUWWXXINPQVGR-AMIZOPFISA-N 484.957 3.911 50 10 JHGE C[C@@H](Br)C[C@@H]1COCCN1c1ncc(I)cc1Br 2069533124 YSAPQDFAFRTZQS-PSASIEDQSA-N 489.977 3.827 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)C1 2110715129 KQSSMVHGYGMQBN-FBUUVDBFSA-N 451.427 3.964 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Br)ccc2Br)C[C@H]1Br 2130820417 GIUUMJYTYQETAC-XXILOJSOSA-N 455.972 3.882 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C12CC2 2164302779 RQLUWWHBNGZCQA-OAHLLOKOSA-N 459.406 3.649 50 10 JHGE C[C@H]1[C@@H](C(F)(F)F)N(C(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2172602952 AFFJTBJYXPBHCN-AAEUAGOBSA-N 458.319 3.838 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1ccc(F)c(Br)c1 2232149561 APLOHQXXSWSLKB-UFBFGSQYSA-N 464.138 3.716 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCOC[C@H]2C[C@H](C)Br)c1 2240922361 DWRZELPYMRYCMW-NWDGAFQWSA-N 452.130 3.614 50 10 JHGE C[C@@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2338845080 MPVXDLPUCLEDOD-VQIMIIECSA-N 485.444 3.668 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)c2ccc(Cl)cc2I)CCO1 2340051576 FFZRFDRRGCPLBQ-QPUJVOFHSA-N 458.521 3.569 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@H](SC(F)F)C1 2365715457 FEXYBAVTGAYBOP-ZETCQYMHSA-N 455.140 3.656 50 10 JHGE CC(C)[C@@H](Cl)C(C)(C)CN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2366068099 HRABXIDGAUQVDJ-DYESRHJHSA-N 460.999 3.562 50 10 JHGE O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 17200599 DAJUCUJBQPUUAF-UHFFFAOYSA-N 492.532 3.628 50 10 JHGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658481 AECAWJKTPJDAOT-UHFFFAOYSA-N 498.765 3.861 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cc(=O)n2nc(C)sc2n1 96484372 CKVOHAKJWRVKFB-ZDLGFXPLSA-N 487.541 3.901 50 10 JHGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(OC)c1OC 97729852 OTFIFYKNLRXMMP-AFUMVMLFSA-N 478.461 3.637 50 10 JHGE Cn1ncc([C@H](Cl)c2cc3c(cc2Br)OCCO3)c1I 381860194 DJRZQMFDTOJIPJ-GFCCVEGCSA-N 469.504 3.887 50 10 JHGE C[C@H](NC(=O)c1cc(I)ccc1Br)[C@@H](C)Br 387000062 LWUKFGAOCISZIX-RQJHMYQMSA-N 460.935 3.955 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)[C@H](C)Br)cc1Br 387001880 MECCKILXGBWFJU-YUMQZZPRSA-N 464.017 3.970 50 10 JHGE CC(C)[C@@H](CI)NC(=O)c1cccc(F)c1I 721758017 ITCSFBSFVMIVMK-SNVBAGLBSA-N 461.056 3.620 50 10 JHGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 727362954 JIAKZPIQOMYFKD-UHFFFAOYSA-N 461.474 3.770 50 10 JHGE CCOc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)cc1 730586716 AZAWIILYIKJYAT-BOUXLOLZSA-N 455.580 3.929 50 10 JHGE CC(=O)N1c2ccccc2C[C@H]1C(=O)NNc1c(Br)cccc1Br 1626143982 RAECUWPPWFZKFS-HNNXBMFYSA-N 453.134 3.633 50 10 JHGE CCN(CC)CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1 1866130372 QURZDJJYRXCUBI-HMMYKYKNSA-N 451.523 3.748 50 10 JHGE CCCOc1ccc([C@@H](CC(=O)O)NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1OC 1866131705 JXJVYYHHDXWLDQ-WAGPWIPHSA-N 468.506 3.740 50 10 JHGE O=C(c1cc(O)c2cc(I)cc(F)c2n1)N(CCCl)CCCl 1866530560 CNLHTRDTVRYXKZ-UHFFFAOYSA-N 457.070 3.604 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1ccc(Br)c(CBr)c1 1887894052 XJEFGCCXDMSWCJ-SKDRFNHKSA-N 476.028 3.748 50 10 JHGE O=C(CCl)c1ccc(I)c(I)c1OC(F)F 2060184823 AQIBZOYFPXHMBJ-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE BrCCOC1CCN(c2ncc(I)cc2Br)CC1 2069526162 RFKQUCQXSDYTBW-UHFFFAOYSA-N 489.977 3.829 50 10 JHGE C[C@H](CBr)N1CCN(C(=O)c2scc(Br)c2Br)CC1 2113063317 CJJYBVPQBWPOJZ-MRVPVSSYSA-N 475.044 3.814 50 10 JHGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CC(OCc2ccccc2)C1 2123250236 ASAVRCQGVJECHV-UHFFFAOYSA-N 460.777 3.833 50 10 JHGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2cc(CBr)ccn2)C1 2179817406 PJIJZXREOXAWED-IRXDYDNUSA-N 452.418 3.508 50 10 JHGE O=S(=O)(N[C@@H](CBr)C[C@@H]1CCOC1)c1cc(Cl)c(Br)s1 2195485993 DGTVMZOKJJCQOP-JGVFFNPUSA-N 467.632 3.632 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)C=Cc2cccc([N+](=O)[O-])c2)c(Br)c1 2313854780 GTXRXCRGLJAOAN-UHFFFAOYSA-N 476.327 3.894 50 10 JHGE COc1cc(CNCCSSCCNC(=O)OC(C)(C)C)c(Br)cn1 2315415009 MCXWPDIZXXVVNW-UHFFFAOYSA-N 452.440 3.848 50 10 JHGE C[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[C@@H]1Br 2338851518 FOJHSTKYUPIWOG-FCEWJHQRSA-N 485.444 3.715 50 10 JHGE Clc1ccc(CN2C[C@H]3CCO[C@]3(CBr)C2)c(I)c1 2341033074 SBZYCYOTWVMXGJ-BXUZGUMPSA-N 456.549 3.930 50 10 JHGE O=C(/C=C/c1cccs1)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 13979400 VPYZILXWJYHPRF-SOFGYWHQSA-N 458.392 3.949 50 10 JHGE COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1CN1CCN(c2ccc(F)cc2)CC1 20615902 SJQBZAIRDCLEIE-OGLMXYFKSA-N 491.523 3.829 50 10 JHGE O=C(NNc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1cccc2ccccc12 40625030 HJYFCFSIZNXXGU-UHFFFAOYSA-N 460.410 3.642 50 10 JHGE O=C(NNC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 45574393 YUFMNXNJVAGLBN-UHFFFAOYSA-N 481.541 3.857 50 10 JHGE CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 58989176 JJQSLVOTVPXKEJ-CVKSISIWSA-N 458.547 3.970 50 10 JHGE CC1=C(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384971 WAKPMKTVFMQKRK-NUYDQDRBSA-N 464.334 3.845 50 10 JHGE Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n2-c2ccccc2)cc1 59844585 PZKICVLFBNVYTH-KRWDZBQOSA-N 464.595 3.616 50 10 JHGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)C(=O)NCc3ccccc3)ccc21 254487287 ZSXOWYDKYIVBEK-UHFFFAOYSA-N 469.545 3.952 50 10 JHGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3ccc(C)cc3)c3ccccc23)C1 254555810 KXSDKPRIMMDGOM-OAQYLSRUSA-N 466.607 3.510 50 10 JHGE COC[C@@](C)(CCl)N(C)C(=O)c1cc(I)ccc1Br 689286463 KBLLMSOVSIPURW-CYBMUJFWSA-N 460.537 3.770 50 10 JHGE CO[C@@H]1C[C@@H](CCl)N(C(=O)c2ccc(I)c(Br)c2)C1 721620330 OPXQUXYOISISKG-VHSXEESVSA-N 458.521 3.522 50 10 JHGE O=C(NN=Cc1cnn2ccccc12)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 729632629 DZPZDPUCAWJFMQ-UHFFFAOYSA-N 498.362 3.662 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCC(=O)O 1084313677 NEGPTDGRJDMYDI-UHFFFAOYSA-N 455.692 3.729 50 10 JHGE COc1ccc(N[C@H](C)C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1 1084361519 LBOYLXWMMVEKHA-SNVBAGLBSA-N 471.149 3.877 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2cccs2)nnc1-c1ccc(Br)cc1 1084565624 PZDRSLVCLFGURR-UHFFFAOYSA-N 465.402 3.506 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)cc1 1465641573 JQFSOWYTWZGONP-FTDQSSOUSA-N 459.568 3.557 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2c(F)ccc(Br)c2F)cc1 1674741399 SLOJPKTUHCJCGK-JTQLQIEISA-N 456.243 3.550 50 10 JHGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1cc(Cl)cc(Cl)c1 1860769838 JKDHCPXXVCZDQL-UHFFFAOYSA-N 473.341 3.893 50 10 JHGE C[C@H](C(=O)NNC(=O)c1cc(Cl)cc(Cl)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860771990 NSPXASMJFFSECK-SNVBAGLBSA-N 465.362 3.666 50 10 JHGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc(Br)c1O 1873795396 HCAGCXUJSTVUCJ-LKKXKRCMSA-N 458.353 3.553 50 10 JHGE Oc1ncnc(N(Cc2ccccc2)[C@H](CBr)C2CC2)c1I 1915169030 CWXDCEOAPDTFLC-CYBMUJFWSA-N 474.140 3.967 50 10 JHGE Cn1ncc([C@H](Br)Cc2ncccc2Br)c1I 1924861434 NITUWTGIOFNIGD-SECBINFHSA-N 470.934 3.861 50 10 JHGE O=C(NC[C@@H](Br)CBr)c1ccc(I)c(Cl)c1 1981566114 RLWOMPVOQCDMDR-ZETCQYMHSA-N 481.353 3.833 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCO[C@H](CCBr)C1 2116239420 SXNLTZUUVUPWMB-SNVBAGLBSA-N 455.972 3.838 50 10 JHGE CC(C)(C)OC(=O)NCC1CC2(CCN2S(=O)(=O)c2ccc(CBr)cc2)C1 2182212376 RCCGQUZBPNVDEM-UHFFFAOYSA-N 459.406 3.649 50 10 JHGE Cc1sc(CBr)cc1S(=O)(=O)N(C)C[C@@]1(Br)CC1(F)F 2202537550 PMYYBXIHAQXCJL-JTQLQIEISA-N 453.168 3.745 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2CCO[C@@]2(CBr)C1 2231364116 WFJMKJMFPWAIPQ-MADCSZMMSA-N 474.012 3.899 50 10 JHGE C[C@H](Cl)CN(CCC(C)(C)C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2288020712 IHMSFIFOUBURQU-YCRPNKLZSA-N 460.999 3.706 50 10 JHGE COc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OC(=O)c1ccccc1 2328829467 IGBHEKKNQOIROQ-IBGZPJMESA-N 467.522 3.764 50 10 JHGE Cc1cc(C(=O)N(CCBr)C2CCOCC2)ccc1I 2381884678 YVKRXVGBXPCWGD-UHFFFAOYSA-N 452.130 3.616 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 14030190 SYTAOQPYMKSZAA-UHFFFAOYSA-N 470.595 3.799 50 10 JHGE CCCCCC(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14040404 LLINMGOYCFRXDB-UHFFFAOYSA-N 458.422 3.728 50 10 JHGE N#Cc1cc2c(nc1SCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)CC[C@@H](c1ccccc1)C2 20510061 ASCXNHBHYIPEII-QGZVFWFLSA-N 487.541 3.687 50 10 JHGE COc1ccc([C@H]2[C@@H]3CN(CCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 34806567 KPJAPUKRHFPZCS-BVAGGSTKSA-N 465.557 3.672 50 10 JHGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OC 40890408 BUEWHTDHNPQRFJ-GGNBMFIYSA-N 450.491 3.763 50 10 JHGE O=C(CSc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1)NNC(=O)c1ccccc1 59812668 QUKBKWPLPOBEON-MFKUBSTISA-N 487.545 3.596 50 10 JHGE Cn1ncnc1CC(CBr)(CBr)c1cccc(Br)c1 118671921 KKKWYSWFGHWBMW-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE Cn1nc2c(c1NC(=O)N[C@H]1CC(C)(C)C[C@@](C)(CN=C=O)C1)CN(C(=O)OC(C)(C)C)CC2 170290789 XSDUOWNAXZQBRJ-FYSMJZIKSA-N 474.606 3.756 50 10 JHGE N#C/C(=C/NCc1ccc2c(c1)OCO2)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216490172 CAMYOGAVVUFSPM-QQTULTPQSA-N 480.568 3.846 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(CS(N)(=O)=O)c2)c(C)n1-c1ccc(F)cc1 749218531 CHWXCEYEXBBVIV-XDHOZWIPSA-N 452.511 3.567 50 10 JHGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NNC(=O)c1ccc(COc2ccccc2)o1 913029399 JONHBAHYIPYLOK-UHFFFAOYSA-N 458.396 3.688 50 10 JHGE Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)c12 1087999192 GOCUJWPFRSCOJP-UHFFFAOYSA-N 471.473 3.784 50 10 JHGE CC(C)(C)c1ccccc1OCC(=O)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1772752531 WHNCTHMBZJJTTP-UHFFFAOYSA-N 450.289 3.890 50 10 JHGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 1868388249 GZICGBWLNINXKP-UHFFFAOYSA-N 480.619 3.956 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C(CBr)[C@@H]2C1 2030275566 QMJGPWACVZGQHI-UWVGGRQHSA-N 484.957 3.767 50 10 JHGE O=C(CCl)c1cc(OC(F)F)c(I)cc1I 2060185294 MSEHTXCPEGZGDD-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@H](C)c2nnc(CBr)s2)c1 2240901616 RMSLUMYFPIWVJL-MRVPVSSYSA-N 466.142 3.837 50 10 JHGE Cc1c(NC(=O)C(C#N)=Cc2ccc(I)cc2)c(=O)n(-c2ccccc2)n1C 2296537551 XAZYPNWZOWHGIQ-UHFFFAOYSA-N 484.297 3.635 50 10 JHGE C[C@H](CCCCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827898 VZZIWAXOPNYFIP-MRXNPFEDSA-N 473.433 3.716 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CBr 2338842270 HFXNMDROZDWCAH-IAGOWNOFSA-N 485.444 3.526 50 10 JHGE C[C@H](CBr)N1CCN(Cc2cc(I)ccc2Cl)CC1 2352425608 IVMYORQMXUVOLH-LLVKDONJSA-N 457.581 3.846 50 10 JHGE CCOCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 9825581 ANTKWIPSOZVRIX-UHFFFAOYSA-N 461.518 3.737 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1Br 13980107 BURJADAMTXTKHM-UHFFFAOYSA-N 464.385 3.595 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14031652 LWWAQWSLTZWOBR-OAHLLOKOSA-N 457.324 3.904 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(Br)c1 14654973 MYXBMOKLCPEPPW-UHFFFAOYSA-N 472.133 3.694 50 10 JHGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)COc2ccccc2)cc1)CC3 39881725 JDWZCSVWIRRGSW-UHFFFAOYSA-N 468.513 3.778 50 10 JHGE Cc1ccccc1NC(=O)NNC(=O)COc1c(Br)cc(F)cc1Br 39892029 LUOSJROYINGBAD-UHFFFAOYSA-N 475.112 3.891 50 10 JHGE C[C@@H](Br)CCNC(=O)c1cc(Br)ccc1I 235168600 KIFZSGGLGPTTTK-SSDOTTSWSA-N 460.935 3.957 50 10 JHGE O=C(NN=Cc1ccc(OC(F)F)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 254048128 WQLFBMXATDXIJJ-UHFFFAOYSA-N 451.476 3.914 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccnc3)n2-c2ccc(OC)cc2)cc1 254443939 DDFPQOQRVYSARC-UHFFFAOYSA-N 488.573 3.979 50 10 JHGE O=C(NNc1ccc(F)c(F)c1F)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 728716802 FIYUQBGPEXWHIJ-UHFFFAOYSA-N 493.463 3.823 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@H](c2cccs2)N2CCOCC2)c(-c2ccccc2)n1 914465156 CZGUAFJGJBCWTM-BTZCDPCDSA-N 486.601 3.622 50 10 JHGE C/C(=C/C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1449359594 ASKQLXRISGIGSR-OBEJXRGXSA-N 455.477 3.903 50 10 JHGE CC(=O)N1C[C@@H](CI)[C@@H](c2ccc(C)c(I)c2)C1 1614809184 OOSRIFWJXBVOHS-CHWSQXEVSA-N 469.104 3.597 50 10 JHGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710508 ZWFLVAMCELPHNK-NRFANRHFSA-N 477.452 3.530 50 10 JHGE FC(F)(CI)C(F)(F)CNC[C@H]1CC1(Br)Br 1900061653 IDMPMMYJXVQVFY-RXMQYKEDSA-N 482.879 3.788 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2C[C@@H](n3cccn3)C2)CC1 2063780127 GTWXQMSAEXFCPK-GASCZTMLSA-N 461.344 3.808 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2097817538 ZYXXKHPUVMPGRA-KFKAGJAMSA-N 483.428 3.563 50 10 JHGE CO[C@@H]1C[C@H](CCl)N(C(=O)c2ccc(Br)cc2I)C1 2142284469 COTOHWHWPHNCAO-NXEZZACHSA-N 458.521 3.522 50 10 JHGE Cc1cc([C@@H](Br)CS(=O)(=O)N2CCCCC2)ccc1I 2207103402 BHXTXJXTSYOEPL-ZDUSSCGKSA-N 472.186 3.851 50 10 JHGE Cn1nc(Br)c([C@@H](Br)c2cc(I)cc3c2OCC3)n1 2226987663 UQKRWNLCGLPEQI-VIFPVBQESA-N 498.944 3.601 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1C[C@H](Br)C1 2263406000 ZCTDOIIMONDRSA-KKUMJFAQSA-N 476.209 3.927 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 2313611002 TUPYSPDUUMUEMH-UHFFFAOYSA-N 498.171 3.768 50 10 JHGE CCCCCCOc1ccc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1OC 2323099506 NHJMFFKQNRXDAY-UHFFFAOYSA-N 450.539 3.974 50 10 JHGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3s2)CC1 33887108 QQCLROIOVNXHCM-SDXDJHTJSA-N 456.575 3.819 50 10 JHGE COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c1 35126498 XDRNUZWOBUDRPU-CYVLTUHYSA-N 493.541 3.522 50 10 JHGE Nn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccccc1OCc1ccccc1 58990422 RLWWGYAEZHHYQQ-OGLMXYFKSA-N 486.601 3.599 50 10 JHGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 102684365 VYPFDHQLGXOUBM-CYVLTUHYSA-N 452.470 3.719 50 10 JHGE CO[C@@H]1O[C@H](CI)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 136695821 BTMDXQFGSXFKDC-UAFMIMERSA-N 454.304 3.964 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccn3C)n2-c2ccccc2)cc1OC 254594856 WFWQPZQCDGXCLE-UHFFFAOYSA-N 476.562 3.532 50 10 JHGE CC(=O)Nc1cccc(C(C)=NNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 254749767 FSXNYBYXLFCXMK-UHFFFAOYSA-N 495.517 3.508 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N(C)CCOCCBr)cc1Br 380242190 NMCWABJXLZYBOG-UHFFFAOYSA-N 494.043 3.552 50 10 JHGE COc1cc(C=NNC(=O)c2cccc(I)c2)cc(Br)c1O 1084116086 QEUDLPZUFSHLCW-UHFFFAOYSA-N 475.080 3.532 50 10 JHGE COc1cc(OC)c(C=NNC(=O)CNc2ccc(Br)cc2)cc1Br 1084479260 LHFLUVHYJQBBQX-UHFFFAOYSA-N 471.149 3.791 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)CSCc1ccccc1 1084528196 YWKYFASEVMZRMP-UHFFFAOYSA-N 468.495 3.689 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccccc1O 1084600743 OJUYPLABRUGNTQ-KRWDZBQOSA-N 450.568 3.803 50 10 JHGE CC(=O)N(C)c1ccc(NC(=O)NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 1310225250 ABEXQLBWDRZCBY-UHFFFAOYSA-N 454.490 3.746 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1)c1ccc(Cl)cc1 1312936125 HSOUTEGFFWGFDK-SFHVURJKSA-N 459.930 3.855 50 10 JHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751336 OJUBGSDIKDCRRB-UHFFFAOYSA-N 473.577 3.773 50 10 JHGE O=S(=O)(CCCOCc1ccccc1)N[C@@H](CCBr)COCc1ccccc1 1892423629 KHCDHIZGFOIUTL-NRFANRHFSA-N 470.429 3.883 50 10 JHGE Cc1cnc(-n2c(C)nc(I)c2I)c(CCl)c1 1951014152 FJSVEEAUHYAVNA-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE CC[C@H](C)[C@@H](CI)NC(=O)c1ccc(I)cc1 2023037271 IZBCVHPFEAEBIJ-JOYOIKCWSA-N 457.093 3.871 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2121590182 BYMVBQCWSKDBOT-XVYDVKMFSA-N 474.012 3.755 50 10 JHGE Cc1cc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)sc1CBr 2123242719 ZZAOOTDYPVXCMM-IRXDYDNUSA-N 455.443 3.704 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(I)c(Cl)c2)C[C@H]1Br 2130822130 LGPWVZJHPKNWSX-YGOYTEALSA-N 458.521 3.615 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCN2C[C@@H](Br)C[C@@H]2C1 2150493006 HNBDOWZDYZYFKG-VHSXEESVSA-N 466.999 3.505 50 10 JHGE CCOc1ccc(S(=O)(=O)N2CC[C@H](OCc3ccccc3)C2)cc1CBr 2179830756 OKOBOPFZDXTTGC-SFHVURJKSA-N 454.386 3.960 50 10 JHGE CN(CC1CC(Br)C1)S(=O)(=O)c1c(Br)cc(N)cc1Br 2196928488 UHRGULDYLBXNBO-UHFFFAOYSA-N 491.043 3.588 50 10 JHGE O=S1(=O)CC[C@@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2213487909 AYPNWGCMSZHESX-NXEZZACHSA-N 450.949 3.974 50 10 JHGE CCC[C@@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824530 MXRFZBYOXVZCBU-INIZCTEOSA-N 473.433 3.574 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)[C@@H]1C(C)(C)C 2364030325 YVNYZJFXQPLULB-OIBJUYFYSA-N 472.019 3.969 50 10 JHGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(Br)s2)sc(C(=O)N(C)C)c1C 34983627 VHRAMQIGUOXSDT-YFHOEESVSA-N 482.381 3.915 50 10 JHGE CCc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1 252626542 RAYOHBDOTIXWNR-UHFFFAOYSA-N 472.545 3.972 50 10 JHGE Nc1nnc(SCC(=O)NN=Cc2ccc(OCc3cccc(Br)c3)cc2)s1 256028272 BXBWCAZAISGDHL-UHFFFAOYSA-N 478.397 3.704 50 10 JHGE CN(C)C[C@@H](Br)CN(C)C(=O)c1ccc(Br)cc1Br 690333043 RJYGKDZVZPENIN-SNVBAGLBSA-N 457.004 3.609 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 705901268 ONFPWNSNIODUTK-GJZGRUSLSA-N 459.793 3.533 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=O)NCc1cccc(COc2ccccc2)c1 918018749 GKYGBKLLJGKVKP-UHFFFAOYSA-N 484.350 3.938 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2cccc(OC)c2OC)cc1)S(=O)(=O)c1ccccc1 1084180706 BBPCYJAGVMJVRM-UHFFFAOYSA-N 479.558 3.849 50 10 JHGE C=CCOc1ccccc1CN(C(=O)/C(C#N)=C/c1cnn(C)c1)c1ccc2c(c1)OCCO2 1136697772 FAXPKLCJJATMRK-FYJGNVAPSA-N 456.502 3.896 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1 1471691406 BVQVFMKCPFTUQU-UHFFFAOYSA-N 456.593 3.654 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)c1 1471691486 GFTVCNQZEVBGNQ-UHFFFAOYSA-N 452.580 3.709 50 10 JHGE CC(=O)N1CC[C@H](NC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c2ccccc21 1685700387 ZKHFEGBRFWRYNZ-QFIPXVFZSA-N 458.518 3.561 50 10 JHGE CC(C)(C)OC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858676174 JLYHPZBYVDQRHN-UHFFFAOYSA-N 462.553 3.795 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714734 OSISTBDMRACXPJ-INIZCTEOSA-N 475.358 3.921 50 10 JHGE CCOC(=O)c1c(NC(=O)CI)sc(C(=O)OCc2ccccc2)c1C 1865947821 UZQIOAPMEWSEGK-UHFFFAOYSA-N 487.315 3.964 50 10 JHGE BrC[C@@H]1C[C@H]2CN(c3ncc(I)cc3Br)C[C@H]12 2015761832 COXLCGUCSSRJIQ-OYNCUSHFSA-N 471.962 3.916 50 10 JHGE C[C@@H](Br)C[C@H]1COCCN1c1ncc(I)cc1Br 2069533125 YSAPQDFAFRTZQS-SCZZXKLOSA-N 489.977 3.827 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC2(CCC2)C[C@@H]1CBr 2151515839 LOPVVAXSXBGUKX-LLVKDONJSA-N 450.114 3.777 50 10 JHGE Cc1cccc(C(=O)N2CCOC[C@H]2C[C@@H](C)Br)c1I 2185320996 ZRTOSZHUMFVHIR-VXGBXAGGSA-N 452.130 3.614 50 10 JHGE Cc1ccc(I)c(C(=O)NCCCCCI)c1 2217393054 FOTYKEFHZKNKCQ-UHFFFAOYSA-N 457.093 3.935 50 10 JHGE CC(C)(C)C1CC(CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2289839631 GOHXZGODSVVZHW-UHFFFAOYSA-N 499.471 3.962 50 10 JHGE C[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H](CBr)O1 2295307663 MVEVDIXOFCRNER-RNCFNFMXSA-N 469.999 3.765 50 10 JHGE CC(=O)N(C=C(C#N)C(=O)Nc1ccc(I)cc1C)c1ccc(N)cc1 2325405724 IFJJXADITWISBY-UHFFFAOYSA-N 460.275 3.581 50 10 JHGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(OC)c1 2331386792 OVCPEJFBJDDLEH-UHFFFAOYSA-N 492.469 3.824 50 10 JHGE Cc1nc(C(=O)NCC(F)(F)C(F)(F)CI)c(Br)s1 2336527583 RJDROZVQKHNECT-UHFFFAOYSA-N 475.043 3.649 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@]1(C)CBr 2338844341 ZWEXMPWGJCLPOU-HRAATJIYSA-N 485.444 3.526 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CCC[C@H](CBr)C1 2364032430 TXFAVEFPXIAUJN-IUCAKERBSA-N 472.019 3.876 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)CCC12CCC2 2364207220 ZDWTYQJKGLQGOK-KRWDZBQOSA-N 497.455 3.955 50 10 JHGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)cc1 2413043 JYGAJWPCQZJVOB-HKWRFOASSA-N 460.534 3.942 50 10 JHGE Cc1ccccc1OCC(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779703 DAPCYTPLNMDFNW-UHFFFAOYSA-N 462.127 3.670 50 10 JHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13986949 YKCVZOYKIZTBHM-RMKNXTFCSA-N 482.787 3.525 50 10 JHGE Cc1cc[n+]([C@@H]2[C@H](c3ccc(Br)cc3)C(C#N)=C(C(C#N)C#N)N[C@@]2(O)C2CC2)cc1 23203346 UXXQGELQYWLOII-GMKZXUHWSA-N 475.370 3.513 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 38688601 ICZZIYRVEHJXKC-LOSJGSFVSA-N 486.480 3.667 50 10 JHGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 40569370 AMDZLKIMIDGCEB-PXNSSMCTSA-N 470.367 3.960 50 10 JHGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)cc1 40812097 RXFQATODMYTAQU-ZXVVBBHZSA-N 461.474 3.803 50 10 JHGE Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)c(C)c1 102455386 SFXCKDKZZMKSIV-RVDMUPIBSA-N 453.549 3.761 50 10 JHGE COCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 102848980 CBPLAXMWKCZBJN-KAMYIIQDSA-N 473.316 3.853 50 10 JHGE N#Cc1ccc(OCC(=O)NNC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 212412043 AQKGOJKIAQLCMO-GDNBJRDFSA-N 481.487 3.790 50 10 JHGE O=C(Cn1ccc(C(F)(F)F)n1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 254345039 ULTYGRQICCPWLW-UHFFFAOYSA-N 496.449 3.676 50 10 JHGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1cc(I)cc2c1OCC2 312244200 AWSZNSQVWYOJPR-CHWSQXEVSA-N 471.154 3.629 50 10 JHGE CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 1084452313 QPAKTXDVEUNVCV-UHFFFAOYSA-N 486.572 3.637 50 10 JHGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3ccc(OC(F)(F)F)cc3)c2C)C1=O 1466796926 BAPDIOBFQNGSSF-UHFFFAOYSA-N 451.405 3.831 50 10 JHGE Cc1c(C(=O)Nc2nccs2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747983 WUNOXPANUIAKMJ-UHFFFAOYSA-N 453.480 3.604 50 10 JHGE O=C(/C=C/c1cccc(F)c1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858960107 HITFJRUINWRALA-AWNIVKPZSA-N 499.476 3.541 50 10 JHGE CC(C)CSc1ccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)cc1 1865757975 CXSYJCZQNUAZBP-UHFFFAOYSA-N 488.569 3.701 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2nc(Cl)cs2)C1 1888441746 CESVXMMBCBMFIO-QMMMGPOBSA-N 451.633 3.550 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1C(=O)Nc2cc(F)c(Br)cc21 1984041449 YEHRFANRMIFCBO-RYUDHWBXSA-N 452.118 3.912 50 10 JHGE CN1CCN(C(=O)c2cc(Br)c(Br)s2)[C@@H](CCBr)C1 2138083046 MPTMRNXBMVJBLF-QMMMGPOBSA-N 475.044 3.814 50 10 JHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(CCCBr)c1 2164504441 ZSVMYKRKZOSHCE-NRFANRHFSA-N 497.386 3.780 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1CC[C@](CBr)(C(F)(F)F)C1 2167690774 WIOPSDXAGXKNPJ-SECBINFHSA-N 457.131 3.849 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2204090173 OUPKITRXXIMAAJ-KSZLIROESA-N 497.455 3.668 50 10 JHGE COC[C@]12C[C@]([C@H](Br)c3ccc(OC)c(I)c3)(CO1)C2 2284995970 FMPCIAOHSLKNKJ-RBSFLKMASA-N 453.114 3.931 50 10 JHGE CCC[C@](CNC(=O)OC(C)(C)C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306409010 QDAUGOBFESBZII-HXUWFJFHSA-N 481.681 3.630 50 10 JHGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C[C@@H]4CCCO4)C(=O)C(C#N)=C3C)o2)cc1 2314618597 QECDLIASNAADCC-FQEVSTJZSA-N 460.486 3.895 50 10 JHGE C[C@@H]1CC[C@H](CBr)CN1C(=O)c1c(Br)c(Br)nn1C 2338675059 UQZJOWFJJCLDHY-HTQZYQBOSA-N 457.992 3.581 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2355761215 QSYMVOUWVKAATD-XHVZSJERSA-N 450.114 3.775 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C(C)C)cc1 10453201 NJULUJPOGANQDI-UHFFFAOYSA-N 464.385 3.595 50 10 JHGE O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1Br 14030879 MEOQJIKMBCGLQE-UHFFFAOYSA-N 484.375 3.977 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38683331 MYIXOVZXIYLEDH-RUZDIDTESA-N 470.481 3.984 50 10 JHGE Cc1cc(Oc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])ccc1Cl 40659235 WAIASRFJHRULIF-UHFFFAOYSA-N 458.818 3.733 50 10 JHGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(-c4nnnn4C)c3)c2C)cc1 45901942 JGSOFIJCBOVAQP-DEDYPNTBSA-N 453.506 3.839 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@H](C)C(=O)NNC(=O)C1CCC1 59877798 WIHNKVAYTPKJSV-MRXNPFEDSA-N 464.595 3.658 50 10 JHGE N#Cc1ccc(OCC(=O)NNC(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 215574048 IJTJVRABPJEPAL-SSZFMOIBSA-N 477.524 3.710 50 10 JHGE O=C1NCCOc2ccc([C@H](Br)c3csc(I)c3)cc21 228233654 WTIYASUWBVXTIK-ZDUSSCGKSA-N 464.122 3.959 50 10 JHGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)CNc2ccc(C)cc2)cc(OC)c1OC 252589369 AJTQQMFTLOETPQ-UHFFFAOYSA-N 477.517 3.802 50 10 JHGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 254393550 IGIYVQAFHIMUDB-UHFFFAOYSA-N 458.590 3.859 50 10 JHGE O=C(CBr)c1c(F)cc(I)cc1I 306896712 QMOYLOCTIKJXCZ-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE O=C(CCc1nc(O)c2cnn(-c3ccccc3)c2n1)NNc1ccnc2cc(Cl)ccc12 767226719 MNHXQVIWHRNNRV-UHFFFAOYSA-N 459.897 3.799 50 10 JHGE CSc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1084358179 WAGMXEPCJVDNAA-UHFFFAOYSA-N 484.559 3.662 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)c1 1084370443 GPSQNQMCQZUIGU-UHFFFAOYSA-N 466.519 3.557 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Br)c(C)c2F)cc1 1677108797 VWZACOPMSMTOCS-LBPRGKRZSA-N 452.280 3.719 50 10 JHGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865696407 GFEYMVHXXWDSGV-LBPRGKRZSA-N 473.249 3.827 50 10 JHGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714120 DBYPBDMCIKDGHH-GOSISDBHSA-N 468.267 3.775 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 1866856816 BAGVQGZLYMIBSL-NRFANRHFSA-N 498.486 3.982 50 10 JHGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1cc(Br)sc1Br 2072947764 UHXGQXCQVLIELX-POYBYMJQSA-N 462.001 3.803 50 10 JHGE CCCN1CCC[C@@H]([C@@H](Br)c2csc(I)c2)S1(=O)=O 2089519945 SJGZFZMSMUENCS-JQWIXIFHSA-N 478.215 3.993 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](OCCCl)C1 2109048374 VVZLJCKARQTHEY-SNVBAGLBSA-N 458.521 3.524 50 10 JHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2ccc(CCl)cc2)C1 2140595535 MJBPJCVDAYXVCK-NRFANRHFSA-N 494.057 3.825 50 10 JHGE O=C(c1c(F)cccc1I)N1CCC(F)(F)[C@H](CBr)C1 2282806963 ICBFESYBYQLWOF-MRVPVSSYSA-N 462.047 3.923 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2O[C@H]3CC[C@H]2C3)C1 2307434980 QZLMBEFOLNLMNW-OIPACUDHSA-N 451.345 3.775 50 10 JHGE O=C(Cc1ccccc1I)NCC(F)(F)C(F)(F)CBr 2361667981 FKBKFOWMTBCMNG-UHFFFAOYSA-N 468.026 3.615 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@H](Cl)C2 2364201617 ITHOPWWEXFYTMF-QLIIJSOBSA-N 453.004 3.558 50 10 JHGE O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C[C@@H]1COc2ccccc2O1)C(=O)CCl 3039498 JIRKGYSWSLPLCD-XXBNENTESA-N 460.933 3.833 50 10 JHGE Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14639283 VBQVXDIFQLKRLI-AWEZNQCLSA-N 452.338 3.944 50 10 JHGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14643249 PZHSYTWHVQDLGP-CQSZACIVSA-N 474.355 3.643 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1 14654157 RQMXCQFPLMBVSB-UHFFFAOYSA-N 494.411 3.515 50 10 JHGE COc1ccc(/C(C)=N\NC(=O)CNc2ccc(I)cc2C)c(OC)c1 27497848 MGLGUIMBEMOFNW-XKZIYDEJSA-N 467.307 3.569 50 10 JHGE O=C(COc1c(Br)cc(F)cc1Br)NNC(=S)Nc1ccccc1 39892013 KEHPHMZCYOFLDO-UHFFFAOYSA-N 477.153 3.747 50 10 JHGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c21 40823387 RWTAJXHHVVHSQC-SZXQPVLSSA-N 460.534 3.922 50 10 JHGE O=C(Cn1nnc2ccccc21)N/N=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 59181361 UNDODVLEFSEBAM-XAYXJRQQSA-N 479.327 3.805 50 10 JHGE C=CCn1cc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2CC=C)cn1 59830030 ZNYMMMPRSKQVHU-YEEYNWEUSA-N 485.017 3.743 50 10 JHGE COC(=O)[C@H](Br)COc1c(I)cc(Cl)c2cccnc12 159880252 QGFZFAYYECILGE-MRVPVSSYSA-N 470.488 3.808 50 10 JHGE O=C(NC[C@H](Br)C1CC1)c1cc(I)ccc1Br 232472279 IEBAYKCWRXDNEE-NSHDSACASA-N 472.946 3.957 50 10 JHGE COc1ccc(OC)c(N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)S(C)(=O)=O)c1 254844768 QGZWACSNXPKHCE-UHFFFAOYSA-N 491.569 3.927 50 10 JHGE C[C@H](CCl)CS(=O)(=O)Nc1cc(I)ccc1Br 304213892 WZAFSHGTRGSINR-SSDOTTSWSA-N 452.539 3.670 50 10 JHGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2c(O)cccc2O)C1 382704141 DTHRBHJRSBGFFR-HUUCEWRRSA-N 453.276 3.885 50 10 JHGE CO[C@]1(CCl)CCCN(C(=O)c2cc(I)ccc2Br)C1 401527252 GLHDUHIMTMXLHC-AWEZNQCLSA-N 472.548 3.914 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCOC[C@@H]1CCBr 702194302 MCUIOZYOZOJFND-JTQLQIEISA-N 458.521 3.571 50 10 JHGE C[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H](CBr)O1 705407401 BSAYMNKURWBGHA-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE Cn1cc(Br)c(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3Cl)cc2)n1 725274217 DHYBNCGCXDIYHC-UHFFFAOYSA-N 461.703 3.819 50 10 JHGE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 727390931 AWTRFQSRIZTHGY-JPOGYNCRSA-N 480.565 3.926 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)n1C[C@@H]1CCCO1 743662808 AQAAZHJZUFKYPW-KZVLXBEFSA-N 497.617 3.971 50 10 JHGE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614621235 WVVNALWWJULNRJ-HKUYNNGSSA-N 499.370 3.877 50 10 JHGE CN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)Nc3ccc(SC#N)cc3)cc21 1858860996 HPBBJYYFVYCNNK-UHFFFAOYSA-N 489.513 3.916 50 10 JHGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1865712186 RQUVTQAMKRYRGQ-HSZRJFAPSA-N 473.489 3.754 50 10 JHGE O=C(NC[C@@H]1C[C@@H]1CBr)c1cc(Br)ccc1I 2005982236 OJXNLDRUXZWMRO-SFYZADRCSA-N 472.946 3.815 50 10 JHGE C[C@@H]([C@@H](Br)c1cc(Br)ccc1Br)S(=O)(=O)N(C)C 2029076318 YHIUGGRBRLUABI-WRWORJQWSA-N 464.017 3.928 50 10 JHGE CCN(C[C@@](C)(CI)O[C@H]1C[C@H](OC)[C@H](OC)C1)C(=O)OC(C)(C)C 2047614374 XOGRTDRZDJVPMO-ZXFNITATSA-N 471.376 3.646 50 10 JHGE COc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)ccn1 2078928135 WZGLSJULFQDTSG-UHFFFAOYSA-N 462.007 3.794 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NCC2(CBr)CCOCC2)C1 2106785667 PWOWUNSKWKFQIZ-PVPMGCCUSA-N 453.443 3.675 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(F)ccc2CBr)C1 2179786365 ZOIULSMCGAVYMR-MRXNPFEDSA-N 455.393 3.863 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC(CCNC(=O)OC(C)(C)C)C1 2325070888 QAHGKVFZHCQYQW-UHFFFAOYSA-N 493.692 3.630 50 10 JHGE CC[C@@]1(C)[C@H](Br)CCN1C(=O)c1c(Br)c(Br)nn1C 2338673959 OFILFHAFRIQAOM-KRTXAFLBSA-N 457.992 3.723 50 10 JHGE C[C@H]1C[C@@H](Br)[C@H](C)CN1C(=O)c1c(Br)c(Br)nn1C 2338679094 IRDZWZMTMNGJHM-GJMOJQLCSA-N 457.992 3.579 50 10 JHGE CC1(C)C[C@@H](CBr)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364204207 CHIHUOFKKQTIPF-KRWDZBQOSA-N 499.471 3.916 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)ccc1Br 12501487 ZCMAHLHGDNKQDR-UHFFFAOYSA-N 491.194 3.779 50 10 JHGE COc1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642073 DTVNAZBQZTXPSE-UHFFFAOYSA-N 485.334 3.730 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 14655651 HFUBTMJRSBHVKT-UHFFFAOYSA-N 494.411 3.686 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)ccc1Br 14834005 BUJYUUJTRMQMSB-RUDMXATFSA-N 482.787 3.525 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38653652 VBWFOGKNWMFLJF-NRFANRHFSA-N 458.386 3.940 50 10 JHGE CC(C)OCCCNC(=O)/C(C#N)=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O 102847280 KMBODMSTBIDKAK-VKAVYKQESA-N 466.925 3.978 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(OC)cc1 254631942 RXNLUKXCQJCENI-UHFFFAOYSA-N 462.458 3.806 50 10 JHGE COc1ccc(Br)c(C(=O)NNC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)c1 728525818 HLJCGUUASWJNFR-UHFFFAOYSA-N 476.258 3.517 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)c1 1455408148 XGOZGTGYBRMVGB-FQEVSTJZSA-N 450.564 3.868 50 10 JHGE CC(=O)N1CC[C@](C)(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)C1 1540693277 WLFZEYGDDMYYMY-DEOSSOPVSA-N 450.926 3.575 50 10 JHGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc(Br)cc2)c2cc(OC)ccc21 1772720113 CIONBVWFOZFMQW-UHFFFAOYSA-N 474.355 3.894 50 10 JHGE C[C@@H](C(=O)NNC(=O)CCCSc1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1865852512 ZMGITIOXVQDWEM-HNNXBMFYSA-N 470.620 3.618 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc3oc(O)nc3c2)cc1 1867129560 RPBRQVUIIJROAB-HXUWFJFHSA-N 474.498 3.792 50 10 JHGE CS(=O)(=O)Nc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872750992 PGPAZVBXLOMJSD-SILNSSARSA-N 455.517 3.903 50 10 JHGE CN1CCC(n2nc(CBr)c(I)c2C(F)(F)F)CC1 2079261222 ZPLYFIJBOOGSIW-UHFFFAOYSA-N 452.056 3.668 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2cccc(Br)c2Br)C1 2109021886 SUBHXEPMWFYYBT-IUCAKERBSA-N 455.972 3.836 50 10 JHGE CC1(C)[C@@H](CBr)OCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2159630639 GVHGNLHEDVAZJS-MRVPVSSYSA-N 467.632 3.727 50 10 JHGE C[C@H](Cl)C[C@H]1COCCN1C(=O)c1cc(Br)ccc1I 2185319288 PNZOGFQGYBIFTR-ONGXEEELSA-N 472.548 3.912 50 10 JHGE CCn1c(SCC(=O)NN=CC=Cc2ccccc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 2297304495 BRHAHRWMYXBSMZ-UHFFFAOYSA-N 466.523 3.789 50 10 JHGE CC1(NC(=O)OCc2ccccc2)CCC(NCC2CC(Br)C2)(C(=O)O)CC1 2321858686 BAZGOFVNDTXXRZ-UHFFFAOYSA-N 453.377 3.832 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](Br)C(C)(C)C1 2338691336 QUTPVVCYQVDEII-SSDOTTSWSA-N 457.992 3.581 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1CC2(CC[C@@H]2Cl)C1 2364212777 AKKVDPKXWVWCAH-UEUGHCDMSA-N 453.004 3.560 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 12482792 LVRZOMJKDYAPPW-UFWORHAWSA-N 471.105 3.957 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1cccc2ccccc12 12503491 WRUXIDWDMCSOGN-FMIVXFBMSA-N 453.951 3.916 50 10 JHGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 13993206 WPXYOQIVONFPGK-GFCCVEGCSA-N 486.160 3.514 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Cl)cn2)c1[N+](=O)[O-])c1ccccc1Br 40647059 MIOZMXXDVMNMTM-UHFFFAOYSA-N 464.667 3.696 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(Nc2nc3c(C)cccc3s2)c1[N+](=O)[O-] 40650413 UUEHGIVTOWJTHR-UHFFFAOYSA-N 451.468 3.812 50 10 JHGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCc2ccccc2C1 40780620 KFRPYVRVUVMHGP-UHFFFAOYSA-N 450.546 3.897 50 10 JHGE Cc1cccc(NCc2nnc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n2-c2ccccc2)c1 59844707 FKVOSWMASMCXIQ-KRWDZBQOSA-N 464.595 3.616 50 10 JHGE CC(=NNC(=O)c1c(Cl)cnn1C)c1ccc(NC(=O)c2ccc(Br)o2)cc1 252597509 CRQCRLRUZREYKY-UHFFFAOYSA-N 464.707 3.835 50 10 JHGE CCn1nc(C(=O)NNC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c2ccccc2c1=O 730516181 DNQYSOLFTQICEP-JOCHJYFZSA-N 494.910 3.790 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c(-c2ccc(Cl)cc2)n1 743720640 GVUJIPBABOBTQQ-HVUZKSCUSA-N 498.974 3.941 50 10 JHGE COc1ccccc1OCC(=O)NN=Cc1cccn1-c1ccc(I)cc1 1084351703 USXRCMLQKVNPFZ-UHFFFAOYSA-N 475.286 3.620 50 10 JHGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4cccc(OC)c4)nc3C)cc2C1=O 1865758694 MQITZFRJQDPGLC-HNNXBMFYSA-N 486.528 3.535 50 10 JHGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 1865759073 GVSMVGLSBXCPJM-ZDUSSCGKSA-N 497.338 3.810 50 10 JHGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(CCOC)n2)C[C@@H]1C 1868253663 PMMXIVXUNXNIHT-OALUTQOASA-N 470.643 3.918 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915153534 RGROSXHIJGGTSK-NRFANRHFSA-N 460.983 3.522 50 10 JHGE CCn1cc(C(=O)N(C)C[C@H](Br)COCc2ccccc2)nc1Br 1916366535 KKOVQJGXNJHBBD-AWEZNQCLSA-N 459.182 3.718 50 10 JHGE CCOC1(CBr)CN(C(=O)c2csc(Br)c2Br)C1 2052840856 MBINNNKXQUIPNX-UHFFFAOYSA-N 462.001 3.899 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1ccc(Br)cc1F 2136492134 HOTOSECZSUFVTF-KWQFWETISA-N 464.138 3.716 50 10 JHGE C[C@H](CBr)N1CCN(C(=O)c2ccc(Br)cc2Br)CC1 2169358523 PFWIOLHZSBGSKY-SNVBAGLBSA-N 469.015 3.753 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H](CCBr)O1 2179375366 PDSGPWHEDWTNIO-ONGXEEELSA-N 472.548 3.959 50 10 JHGE Cc1cc(C(=O)N2CCOC[C@H]2C[C@@H](C)Br)ccc1I 2207097133 OIEOQVLJRIMULJ-DGCLKSJQSA-N 452.130 3.614 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CCO1 2268358761 MDEHDTKWBVRKMJ-UFBFGSQYSA-N 458.521 3.569 50 10 JHGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1cc(I)ccc1O 2283932834 LAYKGLNRLATHMU-YHAQOWFVSA-N 450.114 3.680 50 10 JHGE N#CC(=Cc1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 2295838597 GOGUNNOXLIRGNX-UHFFFAOYSA-N 454.461 3.892 50 10 JHGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@H]2CCCO2)ccc1Cl 2296720244 DMZXTTWAPAHZOB-LJQANCHMSA-N 478.936 3.959 50 10 JHGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccccc1 2318356327 RMVQGKJSSNWOEE-UHFFFAOYSA-N 474.538 3.991 50 10 JHGE COc1c(Br)cc(C=NNC(=O)c2ccccc2N)c(OC)c1Br 2323203551 BGWIDNQCCTVFII-UHFFFAOYSA-N 457.122 3.575 50 10 JHGE CCOc1ccc(C=CC(=O)NNC(=O)c2sc(Cc3ccccc3)nc2C)cc1OC 2323423996 GUHOOLSINJGJCA-UHFFFAOYSA-N 451.548 3.924 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCCC[C@@H]1CBr 2364196207 XXRWVEKIVLJRBX-QZTJIDSGSA-N 499.471 3.964 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)c1 14016899 UGTDWSLZSCHING-UHFFFAOYSA-N 454.567 3.991 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)ccc1Cl 14034355 NCBKAYOQLJGYIL-UHFFFAOYSA-N 463.987 3.788 50 10 JHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1 14037274 GNEQVGZHVRXOPQ-UHFFFAOYSA-N 465.575 3.979 50 10 JHGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 33367669 OBMGWJGJQZVFKF-PGMHBOJBSA-N 489.601 3.757 50 10 JHGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])c2n1 40618655 STCBXKRGGSYTIU-UHFFFAOYSA-N 461.394 3.699 50 10 JHGE COc1ccccc1Oc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40657933 LLBAWCREOMNZBX-UHFFFAOYSA-N 460.244 3.705 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC#N)c(OC)c2)cc1 58894166 QMFPLHFHFDAANS-ILRHRSLTSA-N 490.354 3.723 50 10 JHGE COC(=O)[C@H]1CN(C(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c2ccccc2O1 96931009 FOTQGJLBOWRJBY-NIQJEMAJSA-N 493.560 3.568 50 10 JHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(Br)c1 100446195 JJPHXIIHZGOBDZ-UHFFFAOYSA-N 459.127 3.936 50 10 JHGE O=C(NCCCCCI)c1ccc(F)cc1I 236176673 CAHUCWOZRXAJAM-UHFFFAOYSA-N 461.056 3.765 50 10 JHGE Cc1cc(Br)cc(C=NNC(=O)c2cccc(I)c2)c1O 252628832 SYWRGSZWQNMXBT-UHFFFAOYSA-N 459.081 3.832 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1cccnc1Cl 729344246 DGIUMHSDWNVJJO-CQUHBBLWSA-N 474.908 3.990 50 10 JHGE C[C@H](C(=O)NNC(=O)Cc1ccc(Cl)c(Cl)c1)n1cnc2sc3c(c2c1=O)CCCC3 1865852019 NGILAYVGWWIRNN-LLVKDONJSA-N 479.389 3.595 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(-c3ccncc3)[nH]n2)cc1 1867161006 KEVKGDWJGOSDRT-QFIPXVFZSA-N 484.541 3.730 50 10 JHGE CC[C@H](Br)CN(Cc1ccccc1)c1ncnc(O)c1I 1915097919 ADNPPFJMUYPCJX-LBPRGKRZSA-N 462.129 3.967 50 10 JHGE O=C(NCC[C@H]1COC[C@H]1Br)c1cc(Br)c(Br)s1 2048658459 GPDLSWKXVMCADF-POYBYMJQSA-N 462.001 3.803 50 10 JHGE CO[C@]1(CBr)CCCN(c2ncc(I)cc2Br)C1 2069529284 PCRJRFVXFUZEPT-LBPRGKRZSA-N 489.977 3.829 50 10 JHGE O=C(Nc1c(I)ncnc1I)[C@H](Cl)c1ccccc1 2121033256 OFVSDPTZZOKGHC-MRVPVSSYSA-N 499.477 3.604 50 10 JHGE O=S(=O)(C[C@@H](Br)c1ccc(F)cc1I)N1CCCCC1 2145635669 IBRCMRKVCNJKJE-GFCCVEGCSA-N 476.149 3.682 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146692304 JHRODGQTDWLINJ-AVGNSLFASA-N 467.983 3.979 50 10 JHGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(CBr)c1 2179775543 MALMPXISDWDUHT-OAQYLSRUSA-N 451.430 3.865 50 10 JHGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)N1CCC(CBr)CC1 2179823241 HHRAVJXWOHFJFP-MOPGFXCFSA-N 459.450 3.654 50 10 JHGE O=S(=O)(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1sccc1Br 2192575673 IUSQQVUDNZLHTB-CBAPKCEASA-N 457.131 3.752 50 10 JHGE ClC[C@@H](I)[C@H](CCl)OCCOCCOCCOCc1ccccc1 2214899201 QODWHBBOOBWOLH-SJORKVTESA-N 491.193 3.903 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCC(I)CC2)c1 2217409665 VJCJSEWXPJQXFM-UHFFFAOYSA-N 455.077 3.639 50 10 JHGE CCOc1cc(C=NNC(=O)CNC(=O)C=Cc2ccccc2)ccc1OC(=O)c1cccs1 2296736677 BIDFCSOEVJYZCA-UHFFFAOYSA-N 477.542 3.646 50 10 JHGE CCCCN(CCOCCI)C[C@H]1CCCN1C(=O)OC(C)(C)C 2306804352 HSPBVMPPCDAKIX-MRXNPFEDSA-N 454.393 3.940 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2364231522 ZVWJDPRWJMVXBB-XHNCKOQMSA-N 470.003 3.581 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(Br)o1 12580853 ZYHSMYFYTZEVRB-UHFFFAOYSA-N 468.101 3.798 50 10 JHGE Cc1cccc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14639355 RXPRIHDUVWWQDI-CYBMUJFWSA-N 455.736 3.713 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1Br 14770309 NNCSBMWMJRFWBI-UHFFFAOYSA-N 462.344 3.645 50 10 JHGE COCCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(Cl)cc3)cc2oc1=O 33516595 MOMBWFFXYMHWQB-BOPFTXTBSA-N 466.877 3.725 50 10 JHGE CCCn1nc(C(=O)NNC(=O)/C=C/c2cccc(-c3ccccc3)c2)c2ccccc2c1=O 71898501 LPPOTOLKHUIHIY-FOCLMDBBSA-N 452.514 3.948 50 10 JHGE COc1cc(/C=N/NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc(OC)c1O 101004988 ZCQLIGYVFAHACI-LVQIGDTLSA-N 471.513 3.887 50 10 JHGE COc1cc(C(=O)NN=Cc2cc(Br)ccc2O)ccc1I 252620029 LWFNEYUCLWHILJ-UHFFFAOYSA-N 475.080 3.532 50 10 JHGE CCOc1cc(C=NNC(=O)CNC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(OC)cc1 254398714 AYCKNVFSJFYWSE-UHFFFAOYSA-N 489.528 3.502 50 10 JHGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc2ccccc2c1 254854249 XTMFLWXMVDGBQE-UHFFFAOYSA-N 484.545 3.832 50 10 JHGE COC[C@](C)(CCl)N(C)C(=O)c1cc(I)ccc1Br 689286464 KBLLMSOVSIPURW-ZDUSSCGKSA-N 460.537 3.770 50 10 JHGE C[C@@H](Br)CCNC(=O)c1ccc(I)c(Br)c1 721580247 UUESAYLTQKUZLG-SSDOTTSWSA-N 460.935 3.957 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2F)cc1)Nc1ccccc1Cl 1084551081 JJUNYDHGLVHESV-UHFFFAOYSA-N 468.872 3.585 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)nnn1-c1cccc(C(F)(F)F)c1 1088728660 PSUQIFSAGJMECZ-UHFFFAOYSA-N 457.334 3.688 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)c1 1558199971 PGJWTGGBKAPETH-IBGZPJMESA-N 457.397 3.585 50 10 JHGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714428 KBMJXUCKPMHOCF-IBGZPJMESA-N 451.870 3.979 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(-n4cccc4)cc3)c(C)n2)cc1OC 1865758308 UKQLGUVIDOQBFQ-UHFFFAOYSA-N 456.502 3.940 50 10 JHGE BrC[C@@H]1[C@H]2C[C@@H]2CN1c1ncc(I)cc1Br 1992548137 VBGJHXHHCTZNEV-KDILMLJESA-N 457.935 3.668 50 10 JHGE CC(C)(C)OC(=O)N1CCOC2(CCC3(CC[C@@H](CI)O3)CC2)C1 1996436779 WFKFBRTUIUERGB-NNGSBXSVSA-N 451.345 3.919 50 10 JHGE CCN1CC[C@H]([C@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2089522385 IJDJYPKZACZGBW-VXGBXAGGSA-N 478.577 3.805 50 10 JHGE O=S(=O)(Nc1c(Br)cccc1Br)N1CCC(Br)CC1 2105890494 DKUQOWACRZEKHL-UHFFFAOYSA-N 477.016 3.728 50 10 JHGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1ccc(I)c(O)c1 2153387343 XBTXVDRUKQCGAS-IEBVAXJPSA-N 450.114 3.917 50 10 JHGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)n(CC)c1 2179786988 IGBYREIPSNRTBD-SFHVURJKSA-N 454.434 3.688 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@H](C(F)(F)F)C1 2179790466 DYZCSWAQCUMQDD-LURJTMIESA-N 457.131 3.978 50 10 JHGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CBr)n(C)c1 2179808897 NQYHKFFGLXXHET-SFHVURJKSA-N 454.434 3.594 50 10 JHGE O=S(=O)(c1occc1CBr)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179832909 QHYIWIJESWXGFG-RTBURBONSA-N 453.402 3.850 50 10 JHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C#N)CC1 2248892317 HVNJZCUSFVXXEZ-DEOSSOPVSA-N 461.562 3.817 50 10 JHGE O=C(c1c(F)cccc1I)N1CCS[C@H](CCBr)C1 2267701328 XKYHPVHZNUVFNY-SECBINFHSA-N 458.134 3.773 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2OCC[C@]2(CBr)C1 2296378398 RAQQERJUCQUSGH-OCCSQVGLSA-N 467.983 3.838 50 10 JHGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)c1 2296546155 QFKJSQQSGRZHAG-UHFFFAOYSA-N 452.518 3.858 50 10 JHGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(C)=C(C#N)C1=O 2296856690 QRAIMRNLDRLHTQ-UHFFFAOYSA-N 466.497 3.695 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1Cc1cc(I)ccc1Cl 2352428868 ZZRHRNFJXLUBLW-AAEUAGOBSA-N 457.581 3.844 50 10 JHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 9821829 OMCGJCBXSWOCED-UHFFFAOYSA-N 477.995 3.919 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 12502733 PLBPUGMDVFWVBX-UHFFFAOYSA-N 474.586 3.893 50 10 JHGE CCCCCC(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 14040385 USWJBCOVVGRYQM-UHFFFAOYSA-N 452.374 3.583 50 10 JHGE O=C(NNC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1I 59466793 UXSVOKLTLHTBGX-UHFFFAOYSA-N 470.266 3.597 50 10 JHGE COCCNC(=O)/C(C#N)=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O 102863719 KMVKPVISUOCPRB-MOHJPFBDSA-N 493.567 3.571 50 10 JHGE CCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 214373049 BWJAFYNSFBAKAL-MOSHPQCFSA-N 476.529 3.946 50 10 JHGE COc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc2c1O[C@@H](C)C2 754712889 AFYYDCXIEJHZNY-HNNXBMFYSA-N 450.466 3.812 50 10 JHGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ncccc4C#N)CC3)c2C)cc1 791030426 VAGHVRSXKMBVQP-KQWNVCNZSA-N 466.545 3.625 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)CCc3ccc4c(c3)OCO4)cc2)cc1 1084275550 VBEDRMZWVWEFOD-UHFFFAOYSA-N 466.515 3.574 50 10 JHGE C#CCCCC(=O)NNC(=O)Nc1cc(I)cc(C(F)(F)F)c1C 1220026035 WXMNGXLPWJKNJO-UHFFFAOYSA-N 453.202 3.575 50 10 JHGE CCc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865758495 CZKLIFGLMAXYBS-DEOSSOPVSA-N 484.556 3.701 50 10 JHGE Cc1ccc(S(=O)(=O)CCCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1 1865759703 NUMPALYSRLSOAE-UHFFFAOYSA-N 487.528 3.659 50 10 JHGE C[C@H](Br)[C@H](NC(=O)c1cc(I)ccc1F)C(F)(F)F 1882675963 WGVFAUXHUJTOLA-CDUCUWFYSA-N 453.999 3.874 50 10 JHGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1C(=O)Nc2c1ccc(Br)c2F 1900275726 DCTACZQEQLIZHF-ZJUUUORDSA-N 452.118 3.912 50 10 JHGE CC(C)[C@H](CI)NC(=O)c1cc(I)ccc1F 2003648688 AMKCLOOTAUWEBG-NSHDSACASA-N 461.056 3.620 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCN2CCCCC2)C1 2007003207 JAGNUMLSEDPJEW-SFHVURJKSA-N 452.377 3.694 50 10 JHGE C[C@@]1(CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2036010261 MZDKXXQPQOUWDQ-NSHDSACASA-N 462.001 3.760 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(I)c(O)c1 2061268790 ZWCXLZSAXWBVIE-UHFFFAOYSA-N 498.408 3.633 50 10 JHGE CO[C@](C)(CBr)CNC(=O)c1ccc(Br)cc1I 2086150967 IKMPFQDZMOWMBU-GFCCVEGCSA-N 490.961 3.584 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)C1CCCCC1 2089699184 TWPWNSALGMIPIC-LJQANCHMSA-N 485.444 3.716 50 10 JHGE C[C@@H](Br)C12CCC(CC1)N2C(=O)c1ccc(I)c(O)c1 2153387344 XBTXVDRUKQCGAS-IWPPJYEWSA-N 450.114 3.917 50 10 JHGE CN([C@@H]1CC[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(OCCBr)cc1 2179858574 QBHYXJYYBMKYJS-UXHICEINSA-N 454.386 3.829 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F 2192280735 APFWIFUMCHPWRJ-QMSLJYSESA-N 451.152 3.537 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201751034 MTIXGSWMGMHJSG-LKFCYVNXSA-N 467.983 3.980 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CC[C@]2(C[C@H](Br)CO2)C1 2201763743 PTIUCVQINMMSOJ-HZMBPMFUSA-N 467.983 3.980 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@@H]1N(C)CC1(C)C)C(=O)OC(C)(C)C 2298945145 KAUUKMCFDNZMCL-KBXCAEBGSA-N 454.393 3.794 50 10 JHGE C[C@@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CCN1C(=O)OC(C)(C)C 2321815990 QTWZKXFHYQHZOT-QVKFZJNVSA-N 493.692 3.725 50 10 JHGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1 10295764 PKVJMJOPYLJOGJ-INIZCTEOSA-N 451.548 3.732 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 12491955 HDHLAOYHZNYDRL-UHFFFAOYSA-N 457.324 3.770 50 10 JHGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 13619734 HGXNGLNUVYBCHL-INIZCTEOSA-N 483.746 3.500 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13621195 HSZQIMQZRLVJPA-OBHPCNEJSA-N 463.559 3.741 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041594 UZNWFBIHIRZMKQ-UHFFFAOYSA-N 475.545 3.887 50 10 JHGE CC1(C)C[C@@H](NC(=O)Nc2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)C[C@](C)(CN=C=O)C1 170290070 BJMKCJHJJPWMKC-CMJOXMDJSA-N 460.579 3.745 50 10 JHGE C[C@H](Br)CN(C)C(=O)c1cc(I)ccc1Br 235391909 ZLMUXHZVNTUZAO-ZETCQYMHSA-N 460.935 3.909 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3)nc3ccccc3c2=O)cc1 254403531 CHEKOXQMSICNGZ-UHFFFAOYSA-N 474.542 3.645 50 10 JHGE CCOC(=O)[C@H](Br)Cc1ccc(I)c(Br)c1 300908889 PYSVRBRDHNANPU-SECBINFHSA-N 461.919 3.923 50 10 JHGE CC(=O)[C@@H](Br)c1ccc(I)c(I)c1 306943799 WHJYLKVWDSUTGP-SECBINFHSA-N 464.866 3.921 50 10 JHGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(O)c(O)c2)C1 394676233 SWBUXRMSTFPAKS-CVEARBPZSA-N 453.276 3.885 50 10 JHGE COc1cccc(C(=O)NCCNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 899892606 FCVRFGGWXSZWHN-STZFKDTASA-N 460.509 3.695 50 10 JHGE C=CCOc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 1084490455 WTKJGVDEYBTLQR-UHFFFAOYSA-N 477.586 3.901 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 1214617623 AAGKFKAALILUPW-HNNXBMFYSA-N 452.442 3.836 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cc1 1215026600 NMBBJUMOFURODC-HNNXBMFYSA-N 451.483 3.683 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(NC(=O)OCC(C)C)c2)cc1 1658634096 SUXKWXUJHICEEA-MRXNPFEDSA-N 456.499 3.714 50 10 JHGE CC(C)CSc1ccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)cc1 1865758340 VZTSVZFGCGXBAK-UHFFFAOYSA-N 453.564 3.904 50 10 JHGE CCN1C(=O)COc2ccc(/C(C)=N\NC(=O)c3ccc(-c4cccc(OC)c4)nc3C)cc21 1865763678 XMESNNCORJTKJJ-NTFVMDSBSA-N 458.518 3.965 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCc2ncc3ccccn23)cc1 1866894719 LLOHAIYBTRVQHI-HSZRJFAPSA-N 485.569 3.912 50 10 JHGE O=C(NCc1nnc(CBr)s1)c1ccc(Br)cc1Br 1877557840 HTMLXVMSEVFAIS-UHFFFAOYSA-N 469.984 3.888 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](OCCBr)C1 2109128806 UGAABXWAYPZLLJ-GFCCVEGCSA-N 455.972 3.838 50 10 JHGE O=S(=O)(NC[C@@H](CBr)C(F)(F)F)c1c(Cl)cccc1Br 2161574208 CVUDATOLOMDYJM-ZCFIWIBFSA-N 459.509 3.954 50 10 JHGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(c2ncnc(O)c2I)C1 2164998363 JKUNREMXKITOMZ-UWVGGRQHSA-N 454.150 3.670 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186714002 BQECNFPLNPCTNM-BBWFWOEESA-N 469.367 3.629 50 10 JHGE Cc1ccc(C(=O)N2CCO[C@@H](CBr)C2(C)C)cc1I 2232824787 CPHJKQWNBSSBSG-ZDUSSCGKSA-N 452.130 3.614 50 10 JHGE C[C@](CI)(OC[C@@]1(C)COCCO1)c1ccccc1Br 2237881967 JMHARAQRPOOZHF-HUUCEWRRSA-N 455.130 3.921 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C=Cc1ccccc1Cl 2314793457 SQONTOWZTHDEBL-UHFFFAOYSA-N 452.894 3.733 50 10 JHGE COc1ccc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)c(OC)c1 2331387064 VVCGUUTYEKKVGR-UHFFFAOYSA-N 471.560 3.907 50 10 JHGE CC(C)[C@H](Br)C(C)(C)NC(=O)c1c(Br)c(Br)nn1C 2340411560 WZYLCQKJLODXHN-VIFPVBQESA-N 460.008 3.873 50 10 JHGE O=C(c1csc(I)c1)N(CCCBr)C1CCOCC1 2352859505 UPAZAYJTWWBISZ-UHFFFAOYSA-N 458.159 3.759 50 10 JHGE Cc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1Br 12490163 FAHLEIAUNPDDMW-UHFFFAOYSA-N 470.161 3.977 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(C)c1 12501433 UMWJJABLXYAZSV-UHFFFAOYSA-N 467.378 3.665 50 10 JHGE CC(C)CCOc1ccccc1C(=O)NNC(=O)c1ccccc1I 14033644 OGWHGWUPNSZESJ-UHFFFAOYSA-N 452.292 3.791 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C)cc1Br 14654985 GKGYJYIPPZHALN-UHFFFAOYSA-N 486.160 3.759 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14665958 NKKFJAHMAVUJKW-QGZVFWFLSA-N 456.539 3.545 50 10 JHGE COc1ccc(CNc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40619305 BQXODONWFYMMDY-UHFFFAOYSA-N 473.287 3.525 50 10 JHGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccc(O)cc1 59147334 FKBGTKSAXHJNQS-QQTULTPQSA-N 468.282 3.975 50 10 JHGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1ccc(F)c(F)c1 59261889 QXWVSROABGMQJD-RPPGKUMJSA-N 450.474 3.850 50 10 JHGE COC(=O)[C@@H]1CN(C(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c2ccccc2O1 96931010 FOTQGJLBOWRJBY-DNQIBQKISA-N 493.560 3.568 50 10 JHGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 1083967975 MUUVSSJAEXBDKX-OVCLIPMQSA-N 477.258 3.774 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OC)c(OC)c2)cc1 1084647628 FCIFRDSZTQMNKV-SFHVURJKSA-N 465.344 3.829 50 10 JHGE CC(=O)N(c1ccc(NC(=O)NNc2ccccc2I)cc1)C1CC1 1310822939 HKRIXOMASHQYHR-UHFFFAOYSA-N 450.280 3.955 50 10 JHGE C=CCOc1ccc(CC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)cc1 1627108148 SYJHVXYVGAVYPP-SANMLTNESA-N 455.558 3.568 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)cc1F 1632195280 KVGBWJYAASOFFL-UHFFFAOYSA-N 452.813 3.618 50 10 JHGE CCCc1nn(C)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701104 MAQNZKYFXPVJGK-CYBMUJFWSA-N 468.149 3.821 50 10 JHGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(C)cc4)nc3C)cc2C1=O 1865757754 SJEVKXDLLUKVPS-MRXNPFEDSA-N 470.529 3.835 50 10 JHGE CCOC(=O)c1cnn(-c2ccc(C)cc2)c1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866133078 OABQBGYEDVBPOV-LDADJPATSA-N 460.490 3.920 50 10 JHGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)nc2c1 1872727715 VNGAYAZCDQPLPJ-LFYBBSHMSA-N 456.252 3.663 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1Br)N1CC(OCc2ccccc2)C1 2009658302 MLOBHNUMJIMGCB-UHFFFAOYSA-N 475.202 3.934 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CC(n3cccn3)C2)CC1 2063773418 GTWXQMSAEXFCPK-UHFFFAOYSA-N 461.344 3.808 50 10 JHGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2123225450 PKSVYKRIKCHPMZ-LJQANCHMSA-N 455.443 3.930 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2132544904 TVQQSIYMAWAFAG-SRSLHRDFSA-N 474.012 3.755 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](O[C@H]2CCN(Cc3ccccc3)C2)[C@H](I)C1 2242036354 KWBQMJBJVRYWEZ-KSZLIROESA-N 472.367 3.700 50 10 JHGE COc1ccc([C@H](C)NC(=O)C(C#N)=CN2CCN(c3cccc(Cl)c3)CC2)cc1OC 2325051648 XKDLNDDKUZBXPF-KRWDZBQOSA-N 454.958 3.764 50 10 JHGE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325592122 WHUMRMXXIDGGAR-BTYIYWSLSA-N 495.708 3.875 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)C1CCC(Br)CC1 2338864341 VCUVWDUGLYGMMI-UHFFFAOYSA-N 457.992 3.723 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1Cc1ccc(Cl)cc1I 2341011999 OCERVDXZMXLGNR-AAEUAGOBSA-N 457.581 3.844 50 10 JHGE Clc1ccc(CN2CCN(CCCBr)CC2)c(I)c1 2341048262 JAYOKPMCBRQERA-UHFFFAOYSA-N 457.581 3.847 50 10 JHGE O=C(c1sccc1I)N(CCCBr)C1CCOCC1 2352856421 BWLYIEFMDVBPOQ-UHFFFAOYSA-N 458.159 3.759 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@]1(CCl)CC12CCC2 2364215060 IKQBHZVMJXNIKQ-JOCHJYFZSA-N 453.004 3.562 50 10 JHGE COc1ccc(C(=O)N/N=c2\oc3cc(OC)ccc3cc2C(=O)NCc2ccccc2)cc1 3028146 OOVMQXPQIMRFOX-WCTVFOPTSA-N 457.486 3.626 50 10 JHGE biogenic O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccccc1[N+](=O)[O-] 9779618 AVKYUXPVCXOFDI-UHFFFAOYSA-N 463.071 3.504 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1cnn(CC)c1 59261784 GNDNSOGBNMDAMV-LGJNPRDNSA-N 474.594 3.688 50 10 JHGE COc1ccc(Br)cc1/C=N\NC(=O)c1cccn(Cc2cccc(C)c2)c1=O 169918044 UPHYKKYFZBCDTM-CFRMEGHHSA-N 454.324 3.740 50 10 JHGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO 196223522 JGELYOCTJSVMRL-KURKYZTESA-N 469.618 3.749 50 10 JHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3OC)cc2)cc1 254556207 HRBDYAGEEXYOPR-UHFFFAOYSA-N 475.501 3.792 50 10 JHGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 254740499 TXLWGQLRLHRHAF-JOZVVEEXSA-N 487.512 3.802 50 10 JHGE O=C(CBr)c1cc([N+](=O)[O-])c(I)cc1OC(F)(F)F 575711121 NPLVMUQAYGVGRJ-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE O=S(=O)(c1ccc(CCl)cc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 705901966 BEFNFHINFUMRMU-HDICACEKSA-N 469.832 3.940 50 10 JHGE COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)NCc2cn3ccc(C)cc3n2)cc1OC 919991032 AEGYNPAESMAZSB-UDWIEESQSA-N 495.543 3.660 50 10 JHGE CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1587069205 BKJXDJLOKBYIJW-HXUWFJFHSA-N 455.624 3.751 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1 1671065404 ACYIXNMXHMLNAW-QGZVFWFLSA-N 457.490 3.824 50 10 JHGE CCN(CC)c1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860773595 BGZMWPCKRCTLFI-JAYSCUBMSA-N 451.596 3.894 50 10 JHGE CN1CCC[C@@H]([C@@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2089534756 HSNZJQOJKACDJI-RYUDHWBXSA-N 478.577 3.758 50 10 JHGE O=S(=O)(c1ccsc1CBr)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123284762 SCWOBAAHKWPYOF-DLBZAZTESA-N 455.443 3.786 50 10 JHGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)N2CCC[C@@H](CCBr)C2)CO1 2179954609 PONRVFLPTQXJOP-OALUTQOASA-N 459.450 3.798 50 10 JHGE C[C@@]1(CCl)COCCN(C(=O)c2ccc(I)c(Br)c2)C1 2199824640 GYZQZIXJSUZVKM-AWEZNQCLSA-N 472.548 3.771 50 10 JHGE CN(C)c1ccc(C=C(C#N)C(=O)NCC[C@H]2CN(c3ncnc4n[nH]cc34)c3ccccc32)cc1 2297722479 KXMNUMJJKFWKJU-IBGZPJMESA-N 478.560 3.768 50 10 JHGE COc1cc(C(=O)NN=C2C(=O)N(CC=Cc3ccccc3)c3ccccc32)cc(OC)c1OC 2313643899 KRFGZTGYNQDNTO-UHFFFAOYSA-N 471.513 3.907 50 10 JHGE CCCCCCOc1ccc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 38608973 WKFNEHMXGPYOJJ-CJLVFECKSA-N 498.576 3.826 50 10 JHGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3F)c2[N+](=O)[O-])cc1 40649904 ICTWUNHRCMBNHG-UHFFFAOYSA-N 468.445 3.837 50 10 JHGE CCOC(=O)Cn1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)c2ccccc21 58894830 PYDNCXIPGAVUOC-VNAAUWNKSA-N 451.523 3.567 50 10 JHGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NNC(=O)COc2ccccc2)CC[C@@]3(C)C1(C)C 100945901 ZWQYTDXRPHGESQ-KAYWLYCHSA-N 458.562 3.802 50 10 JHGE Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)CCl)CC1 105060348 RZCSGTDESIJUQO-JPYJTQIMSA-N 460.043 3.692 50 10 JHGE COC[C@H](Br)CN(C)C(=O)c1cc(I)ccc1Br 234767142 BEOPFMDNKGZFGN-MRVPVSSYSA-N 490.961 3.536 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1cc(Cl)ccc1I 235615783 IZMJCZYENQNTDT-WPRPVWTQSA-N 458.521 3.569 50 10 JHGE Cc1ccc(NCCCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCOCC2)cc1 253566560 JCAJNITVOFTNHS-TURZUDJPSA-N 460.582 3.668 50 10 JHGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2CC)cc1 254392952 LZFMCDWSYSBBFS-UHFFFAOYSA-N 469.567 3.623 50 10 JHGE COc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(OC)c(Cl)c3)c2C)cc1 725431647 DSSUNLVCCROYER-UHFFFAOYSA-N 454.914 3.854 50 10 JHGE C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccc(CSc3ccc(Cl)cc3)cc1)CS2 860794499 CUAARYUNTKGVLZ-GCJKJVERSA-N 476.023 3.847 50 10 JHGE Cc1cc(C=NNC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(C)n1-c1ccccc1Cl 1084457020 KFBUMRDZNJFRJE-UHFFFAOYSA-N 476.961 3.803 50 10 JHGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=O)CSc2ccccc2OC)s1 1466128291 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C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CCBr)s2)CN1Cc1ccccc1 2123238254 UNYQGCKLRKLNGF-WBVHZDCISA-N 457.459 3.969 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Cl)CCO1)c1ccc(Br)cc1I 2142283527 QXMQUYUKGGTPJJ-UWVGGRQHSA-N 458.521 3.570 50 10 JHGE CCCN1CC[C@@H]([C@H](Br)c2cccc(C)c2I)S1(=O)=O 2145765443 BLTOWXPEFNHSLC-QWHCGFSZSA-N 472.186 3.850 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(Cl)c(N)c1Cl 2181746036 UZXGSVWVMDYGKO-UHFFFAOYSA-N 476.473 3.760 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185293311 NDCOWPDYIKKILM-JIMOISOXSA-N 467.983 3.979 50 10 JHGE O=C(N[C@H]1CC[C@@H]1CBr)c1cc(Br)ccc1I 2213318521 OWUXKIAIMJFQMS-HQJQHLMTSA-N 472.946 3.957 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[C@@H]1Br 2221688870 OTIAKLPXEFFCHM-AEGPPILISA-N 476.209 3.785 50 10 JHGE Cc1cc(B(O)O)ccc1NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2269545255 JVQUULAXRLYYPG-AREMUKBSSA-N 486.377 3.567 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@]2(C[C@H](Br)CO2)C1 2283651797 MCUSMWJOGCAFHC-IINYFYTJSA-N 470.532 3.713 50 10 JHGE CO[C@]1(CBr)CCCN(C(=O)c2ccc(Cl)c(I)c2)C1 2283660544 CKYVZDSJTFREFW-AWEZNQCLSA-N 472.548 3.961 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3ccc(F)cc3)cc2)c1 2293908409 HFCBUXMDTOYQBP-UHFFFAOYSA-N 476.533 3.735 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NCC[C@@H]1COC[C@H]1Br 2295311629 MZWCLENJCJZESA-ZWNOBZJWSA-N 469.999 3.670 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295313911 QSQLFBVTVRQTFQ-OLZOCXBDSA-N 469.999 3.765 50 10 JHGE COc1ccccc1C(=O)NNC(=O)CCCCCN1C(=O)C(=Cc2cccs2)SC1=S 2296882022 GWGMOWJJFLQKIN-UHFFFAOYSA-N 489.644 3.980 50 10 JHGE CCOc1ccc(CCNC=C(C#N)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1OCC 2325045533 UZSUTRRUSWFDFP-GOSISDBHSA-N 467.566 3.918 50 10 JHGE CCCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OCC 2325904282 LMXGWONFAHVIGE-INIZCTEOSA-N 482.606 3.921 50 10 JHGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2326841494 NFSOYBXXGJZSMR-UHFFFAOYSA-N 479.836 3.837 50 10 JHGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 2328833296 JSBROKCWVBYJGU-ZDUSSCGKSA-N 493.196 3.917 50 10 JHGE C[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)[C@H](C)C[C@@H]1Br 2338679095 IRDZWZMTMNGJHM-PRJMDXOYSA-N 457.992 3.579 50 10 JHGE CC(C)[C@H]1C[C@@H](Br)CN1C(=O)c1c(Br)c(Br)nn1C 2344603471 LYHANTOJLTUYAF-HTQZYQBOSA-N 457.992 3.579 50 10 JHGE CC1(C)C[C@@H](CCl)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364216015 XZQDJWHASJBQSM-KRWDZBQOSA-N 455.020 3.760 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)cc1 10671530 SLRQSEPJYCXQSN-HNNXBMFYSA-N 456.568 3.552 50 10 JHGE CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 14151924 CYDIRRCJWGFCRA-MHWRWJLKSA-N 465.531 3.995 50 10 JHGE COc1ccccc1C(=O)NNC(=O)CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S 33597848 GWGMOWJJFLQKIN-JXAWBTAJSA-N 489.644 3.980 50 10 JHGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 34895163 UPRUEEBLDVLDPJ-PEZBUJJGSA-N 452.898 3.590 50 10 JHGE Cc1ccccc1C(=O)N[C@@H](C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C)C(C)C 45824344 QIZBJFJYDDNTDS-LJQANCHMSA-N 450.564 3.643 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1C 96447617 JMQQVYDSLNKPIQ-MXDDHBLUSA-N 480.590 3.898 50 10 JHGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101335233 HECJIKNNIHKHOR-HYARGMPZSA-N 483.484 3.686 50 10 JHGE O=C(NN=Cc1ccccc1OC(F)F)c1ccc(NS(=O)(=O)c2cccs2)cc1 254005580 HBKMBQATFFHYLH-UHFFFAOYSA-N 451.476 3.914 50 10 JHGE C=CCOc1cccc(C=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)c1 254291653 MLUXTZOQLNEFEI-HNNXBMFYSA-N 469.563 3.703 50 10 JHGE CCOc1ccccc1OCC(=O)NN=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 254515732 LSAGJZRLXJSXGS-UHFFFAOYSA-N 462.458 3.562 50 10 JHGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)C(=O)NCc1ccccc1)oc1ccccc12 254605840 CFVVZLRGBMCJJV-UHFFFAOYSA-N 472.501 3.732 50 10 JHGE CC[Si](CC)(CC)O[C@@H]1[C@H](COS(=O)(=O)c2ccc(C)cc2)O[C@@H]2OC(C)(C)O[C@@H]21 504753109 NEDGRUUEICONSF-MTQWCTHYSA-N 458.649 3.967 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ncc(Br)s2)C1 713638910 MTECXJAGRJVBIT-MRVPVSSYSA-N 496.084 3.659 50 10 JHGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)CC1 727332446 IHTSBUORKKDJBD-YJADQXIJSA-N 464.566 3.513 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1cccnc1Cl 729344247 DGIUMHSDWNVJJO-HZGBGQKMSA-N 474.908 3.990 50 10 JHGE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 745115578 OFELVQUWTHKGOC-UHFFFAOYSA-N 459.506 3.780 50 10 JHGE C[C@@H]1CN(CCCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C[C@@H](C)O1 920439057 BPDBIZUJXBTDTQ-MULLOCEMSA-N 481.000 3.640 50 10 JHGE COc1ccc(OCC(=O)NN=Cc2c(C)[nH]c3ccc([N+](=O)[O-])cc23)c(Br)c1 1082990404 QTJGXTPFJKCNTR-UHFFFAOYSA-N 461.272 3.685 50 10 JHGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)c(Br)c1O 1083986868 FSSPCNVMECECOF-CYBMUJFWSA-N 486.160 3.890 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(C)c2)c1C)S(C)(=O)=O 1084624725 WPQZPESDXNZMBP-UHFFFAOYSA-N 482.606 3.718 50 10 JHGE CN(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 1565517982 OZYXPWSNWYNXOQ-UHFFFAOYSA-N 457.563 3.638 50 10 JHGE CC(=O)c1cccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)c1 1858684487 YZLFXIGBMFQURK-UHFFFAOYSA-N 450.407 3.821 50 10 JHGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710395 XCQLKWWWAFWLKN-HXUWFJFHSA-N 479.880 3.986 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714308 GVPSWEANNRNWNL-INIZCTEOSA-N 457.368 3.782 50 10 JHGE O=C(NC[C@H](Br)CF)c1ccc(Br)cc1I 1995285823 LDMWVVWEEQPOCF-SSDOTTSWSA-N 464.898 3.517 50 10 JHGE CC(C)(C)OC(=O)NCc1cccnc1NS(=O)(=O)c1ccc(CBr)cc1 2182813834 HYJPXFGGOUSBNP-UHFFFAOYSA-N 456.362 3.802 50 10 JHGE N#CC(C(=O)N1CCCCC1)=C1NC(=NC(=O)c2cccc(Br)c2)c2ccccc21 2296842955 LZFORCKFPBHGBO-UHFFFAOYSA-N 463.335 3.886 50 10 JHGE Cc1ncnc(N2CCC[C@@H](Br)[C@H]2C(F)(F)F)c1I 2344083758 GMENATPKEAKCHY-APPZFPTMSA-N 450.040 3.684 50 10 JHGE CCC[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H]1CBr 2364228268 KRIMQUSZRVZSRB-BDAKNGLRSA-N 472.019 3.828 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1cccc(Cl)c1 12503320 BWPSVYDEXVUGII-UHFFFAOYSA-N 492.782 3.970 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)COc2c(C)cc(C)cc2C)c1C 59147240 XMLCSNBZVJHGAK-BRJLIKDPSA-N 465.510 3.860 50 10 JHGE CCCCCOc1ccccc1C(=O)N/N=C1\C(=O)N(CC(=O)N(CC)CC)c2ccccc21 59148635 OYRHPRDTNUJGKS-PNHLSOANSA-N 464.566 3.605 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccn3C)nnc2-c2ccc(C)cc2)cc1 254381769 XGUHTJAQLWDVPC-UHFFFAOYSA-N 460.563 3.832 50 10 JHGE CCOc1cc(C(=O)NN=Cc2cc(OC)c(OC(C)=O)c(OC)c2)cc(OCC)c1OCC 254592188 BQUBBPCCYLRADA-UHFFFAOYSA-N 474.510 3.589 50 10 JHGE CN(CCOCCBr)c1ncc(C(F)(F)F)cc1I 686114864 LDJRGIZZYJVVJO-UHFFFAOYSA-N 453.040 3.553 50 10 JHGE O=C(NN=Cc1c[nH]c2ccccc12)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082990312 HFSBQLILBAGQFR-QCMCDIMTSA-N 453.458 3.997 50 10 JHGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084011324 ZAEYBPIWFJWJEQ-UHFFFAOYSA-N 499.976 3.781 50 10 JHGE COc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(OC)c1 1084407572 AMIGMASUHNORHW-UHFFFAOYSA-N 487.965 3.703 50 10 JHGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccn1)CCC2 1772747297 NZCDXAHAVOAAAF-UHFFFAOYSA-N 460.490 3.882 50 10 JHGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CCC)cc1OC 1865709450 VMIRHKHJRDXYCW-DEOSSOPVSA-N 481.597 3.856 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 1865714860 RWILULYCNQUTJE-INIZCTEOSA-N 473.367 3.732 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3)c(C)n2)cc1OC 1865758200 NVQYAQHNXVDQAX-UHFFFAOYSA-N 455.898 3.568 50 10 JHGE O=C(OCc1ccccc1)N1CCC(F)(CNS(=O)(=O)c2ccccc2CCl)CC1 2162590268 ZQMZVBZONQQXJB-UHFFFAOYSA-N 454.951 3.845 50 10 JHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)C2(CCC2)C1 2163052724 GZWQAWFCTDOGNH-UHFFFAOYSA-N 459.406 3.746 50 10 JHGE CC[C@@]1(CBr)COCCN1C(=O)c1cc(Cl)ccc1I 2169034506 UOGNPONIFHNREL-CQSZACIVSA-N 472.548 3.961 50 10 JHGE C[C@H](CBr)N1CCN(C(=O)c2c(Br)cccc2Br)CC1 2169367229 WHPVXXZTWXPAEG-SNVBAGLBSA-N 469.015 3.753 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H](CCBr)O1 2179375364 PDSGPWHEDWTNIO-KOLCDFICSA-N 472.548 3.959 50 10 JHGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1ccc(I)c(O)c1 2204561327 FOFZCBWUHRILKM-DJFWLOJKSA-N 450.114 3.679 50 10 JHGE CCC[C@@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@H]1CBr 2205700459 ALCGGAZQYCVBNF-VXGBXAGGSA-N 452.130 3.880 50 10 JHGE CCN1CCC[C@@H]([C@@H](Br)c2ccc(I)c(C)c2)S1(=O)=O 2207106856 OAIMIBKXGOQEDN-KBPBESRZSA-N 472.186 3.850 50 10 JHGE CCN1CC[C@@H]([C@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2268284946 YNEYEENUVMNCLX-NWDGAFQWSA-N 478.577 3.805 50 10 JHGE CCn1ncc(-n2c(CCl)nc3cncc(Br)c32)c1I 2280051270 NZYDLFYSBQWWSU-UHFFFAOYSA-N 466.508 3.743 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 2314795808 SSZRNMYFJNDQAJ-UHFFFAOYSA-N 478.545 3.877 50 10 JHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4ccc(Br)cc4F)c(=O)c23)C1 2325904417 NQDGAEUTGQBWQN-NSHDSACASA-N 477.359 3.635 50 10 JHGE CC1CCC([C@@H](CBr)NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2351616467 XUKUOIIASBSYHW-LADRWXRNSA-N 485.444 3.572 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668688 CLPZBTYIHFDJRW-UHFFFAOYSA-N 494.411 3.513 50 10 JHGE CCOC(=O)c1cnn(-c2cc(C)c3cccc(OC)c3n2)c1NC(=O)CCBr 170508889 VXSPYSKYTHBPOI-UHFFFAOYSA-N 461.316 3.638 50 10 JHGE O=S1(=O)CC[C@H]([C@H](CBr)Cc2cc(Cl)ccc2I)C1 405524020 KDCNTCJUJJLWLX-ONGXEEELSA-N 477.589 3.933 50 10 JHGE COc1cc(C=NNC(=O)[C@@H](C)Sc2ccccn2)ccc1OCc1ccc(C(=O)O)cc1 1083877683 AMZVIYHQBKFFHB-MRXNPFEDSA-N 465.531 3.998 50 10 JHGE CC(=NNC(=O)CCCSc1nnc(-c2ccccc2O)n1N)c1ccc(Br)cc1 1084247811 KMIPIOQFJKORAB-UHFFFAOYSA-N 489.399 3.540 50 10 JHGE C=CCn1c(SCC(=O)NN=Cc2cc(Br)ccc2OC)nnc1-c1cccnc1 1084362572 QSNGSJNCUWKTPN-UHFFFAOYSA-N 487.383 3.540 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Br)sc1C 2081252825 BDKZVXLOUZBTLH-VXNVDRBHSA-N 466.204 3.947 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1 2179786014 UIAAPVFLEOSDOB-UHFFFAOYSA-N 460.365 3.575 50 10 JHGE O=S(=O)(c1ccc(CBr)s1)N1CCCN(Cc2ccccc2)CCOCC1 2179812416 QMOQBLWNKJPMDY-UHFFFAOYSA-N 473.458 3.556 50 10 JHGE O=S(=O)(c1ccccc1CBr)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179820298 WQIFTTOHWZYMJM-UHFFFAOYSA-N 459.356 3.723 50 10 JHGE O=C(N[C@H]1CC[C@@H]1CBr)c1cc(I)ccc1Br 2213316215 HWDTYIKYMGPDAV-HQJQHLMTSA-N 472.946 3.957 50 10 JHGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 2314476076 IHVGXQOGDNSYMT-QFIPXVFZSA-N 490.585 3.538 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2325065533 SIHHFRJJGWUBCC-BTYIYWSLSA-N 493.692 3.725 50 10 JHGE CN(C[C@@H]1CCC[C@@H]1Br)C(=O)c1c(Br)c(Br)nn1C 2338858987 AJJIOHNYPDRMGL-YUMQZZPRSA-N 457.992 3.581 50 10 JHGE COc1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14669623 WWXBOTUZRIPLGY-UHFFFAOYSA-N 499.361 3.919 50 10 JHGE C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cccc(OCc2cscn2)c1 16204519 MNMJSIDVYKYGCD-CYBMUJFWSA-N 476.352 3.713 50 10 JHGE N#Cc1cc(I)c(OC[C@@H](Br)C(F)(F)F)c([N+](=O)[O-])c1 69394283 XDTSJJIFDSYOMQ-MRVPVSSYSA-N 464.963 3.776 50 10 JHGE CC[C@H](Br)CNC(=O)c1cc(I)ccc1Br 233981494 NVLSVSIZLPZZDX-ZETCQYMHSA-N 460.935 3.957 50 10 JHGE Cc1cc(I)ccc1NC(=O)CCC(=O)NN=Cc1c[nH]c2ccccc12 254872586 SSIVIZGOTNFCRI-UHFFFAOYSA-N 474.302 3.950 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)c2cc(Br)cc(Br)c2)C1 401659550 OSDAKVDMHITIOZ-ZDUSSCGKSA-N 455.972 3.838 50 10 JHGE O=C(NNc1ccc(F)c(F)c1F)C1CCN(C(=O)c2ccc(Br)cc2)CC1 728718229 AVMRQANSSRGLIF-UHFFFAOYSA-N 456.262 3.862 50 10 JHGE Cc1ccc(CNC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 729344147 BOKQEWHSPWBBCC-QFVADWCQSA-N 467.529 3.927 50 10 JHGE CC(=O)Nc1ccc(C(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 761396250 DQYZDHBVORSLAB-KGENOOAVSA-N 467.485 3.755 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(O)c(OC)c2)cc1)S(=O)(=O)c1ccccc1 1084044193 IKUGDYOTZUAWBS-UHFFFAOYSA-N 465.531 3.546 50 10 JHGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2ccc(Br)s2)cc1)C(C)C 1659216121 WIPADLWOGMWPLG-UHFFFAOYSA-N 453.362 3.734 50 10 JHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746574 XKQMEOBWHUGFCV-UHFFFAOYSA-N 478.936 3.716 50 10 JHGE O=C(N[C@H](CCl)C[C@H]1CCCO1)c1cc(Br)ccc1I 1926748565 JPSPDHGSSIZFKK-WDEREUQCSA-N 472.548 3.960 50 10 JHGE O=C(NC[C@H](Br)CF)c1cc(Br)ccc1I 1937692229 PBYNWTBICGYPGJ-SSDOTTSWSA-N 464.898 3.517 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC=C[C@@H](Br)C1 2000853492 HPZHACCHLTYNPK-SECBINFHSA-N 470.930 3.829 50 10 JHGE O=C(CBr)c1c(I)ccc(OC(F)(F)F)c1[N+](=O)[O-] 2055116363 QTIPMQFWKUQYIV-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE O=S(=O)(c1ccc(CBr)s1)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2123244449 WMWYJOLFFSZDSG-IRXDYDNUSA-N 455.443 3.786 50 10 JHGE CCn1cc(S(=O)(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1CBr 2179785911 SEBPGPGKTYZKKW-KRWDZBQOSA-N 454.434 3.688 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H](CBr)OCC12CC2 2183975028 UGWHWOTVRGXVPL-VIFPVBQESA-N 467.983 3.980 50 10 JHGE CCC[C@@H]1CN(C(=O)c2cc(I)ccc2O)C[C@H]1CBr 2205700946 CUJKYVBFEMAFRG-GHMZBOCLSA-N 452.130 3.880 50 10 JHGE O=S(=O)(CCC(CCl)CCl)Nc1cc(Br)cnc1Br 2228980850 GIACNXLFUZQTIJ-UHFFFAOYSA-N 454.999 3.832 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2[C@@H](Cl)CCC[C@@H]2C1 2233836947 NVQBGXCYWDWREX-UWVAXJGDSA-N 453.004 3.512 50 10 JHGE O=S(=O)(C[C@H](Br)c1ccc(Cl)c(I)c1)N1CCCC1 2268284422 QWXRAODPHNRBCQ-JTQLQIEISA-N 478.577 3.806 50 10 JHGE CCOC[C@@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277913805 BGMWUTJOINRSKO-LBPRGKRZSA-N 457.988 3.670 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)N2CCC(Br)CC2)[C@@H](C(F)(F)F)C1 2280941359 BZGVNJPUMUZRDT-CHWSQXEVSA-N 458.319 3.886 50 10 JHGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2cncc(CBr)c2)C1 2283119837 NOHIQSMRYCACDF-LJQANCHMSA-N 452.418 3.652 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1CCOC[C@@H]1CCBr 2295316898 FLWTZMJIJXHZLP-ZDUSSCGKSA-N 469.999 3.767 50 10 JHGE O=C(NN=Cc1cc2c(cc1Cl)OCO2)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297321812 FMNOCEBRAPEUDZ-UHFFFAOYSA-N 492.875 3.898 50 10 JHGE CC(CC(=O)NC12CC3CC(CC(C3)C1)C2)=NNC(=O)c1ccc(I)cc1 2297708795 RCUATVBMELBCGT-UHFFFAOYSA-N 479.362 3.872 50 10 JHGE CCOC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313566944 FAJMFRFRFRBTKR-UHFFFAOYSA-N 497.979 3.936 50 10 JHGE O=S(=O)(NCCSCCCBr)c1cc(Cl)c(Br)s1 2314058239 HOWBNGVSVKUFDN-UHFFFAOYSA-N 457.662 3.961 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1Br 12502456 SHWQYGUFIQDACW-UHFFFAOYSA-N 491.194 3.779 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)cc1 13998786 KUJXHUXVFQPXEM-UHFFFAOYSA-N 453.539 3.533 50 10 JHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)c1 14041935 SISDXWNCIHLHBZ-UHFFFAOYSA-N 451.548 3.733 50 10 JHGE Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)CCl)C1 34900464 DFTVIWOLUWMRPT-HMXCVIKNSA-N 462.034 3.656 50 10 JHGE COc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)c1 96438277 GCIKYPMJAMFORK-RGEXLXHISA-N 486.553 3.891 50 10 JHGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C1=O 101335356 ZUOHLPFVUIELFO-HZHRSRAPSA-N 468.513 3.787 50 10 JHGE O=C(COC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)NNC(=O)c1cccs1 730645841 MCLAZLDPRZDNOF-IBGZPJMESA-N 462.886 3.665 50 10 JHGE O=C(COC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)NNC(=O)c1cccs1 730645843 MCLAZLDPRZDNOF-LJQANCHMSA-N 462.886 3.665 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc4ccccc4cc3O)c3ccccc32)cc1 1082753930 YDQJTBUVXUQXGF-UHFFFAOYSA-N 478.508 3.973 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1C#N 1084100205 QQHJBMKBVZPMHY-CAOOACKPSA-N 487.297 3.746 50 10 JHGE C[C@@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 1084184797 ICGDIDSIMCTSDO-QGZVFWFLSA-N 478.936 3.685 50 10 JHGE O=C(CCC(=O)NN=Cc1ccccc1Br)NN=Cc1ccccc1Br 1084604186 MBBJEEUVOJAQNK-UHFFFAOYSA-N 480.160 3.592 50 10 JHGE C/C(=C/C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1ccccc1OC(F)F 1167048262 KWODPDJRMDFFFQ-PFONDFGASA-N 455.502 3.924 50 10 JHGE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(CBr)cc1 1260507483 LWCHMYOXWOQMNK-MQVJKMGUSA-N 459.406 3.790 50 10 JHGE C#CC[C@@]1(C(=O)NNc2ccc(OC)cc2Br)CCCN1C(=O)OC(C)(C)C 1471696431 LLQRIKAKGYXAJW-FQEVSTJZSA-N 452.349 3.694 50 10 JHGE C#C[C@H]1CC[C@H](NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)CC1 1471698391 IZJHWUGXDYCDPN-QXTWVARPSA-N 457.534 3.696 50 10 JHGE C=CC(=O)N1CCC(C(=O)NNC(=S)Nc2c(C)cccc2CC)(c2ccccc2)CC1 1540443050 MMYSJMFPFMAOGF-UHFFFAOYSA-N 450.608 3.621 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)/C=C/c4ccc(Cl)cc4)c(=O)c23)C1 1860771628 BWRAYAHZFYUMAQ-FLEJHELKSA-N 470.982 3.658 50 10 JHGE CCN(CC)CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)cc1 1866213876 HZBKMSWYKQDSTQ-RELWKKBWSA-N 465.550 3.756 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NC[C@H]1C[C@H](Br)C1 1877390164 XTBRRDXQESDELW-KZNAEPCWSA-N 455.393 3.776 50 10 JHGE Cn1c(=O)n(C)c2cc([C@H](Br)[C@@H]3C[C@@H]3Br)c(Br)cc21 1887726100 WSZRMLKXGFTYEU-UTMSNSNXSA-N 452.972 3.859 50 10 JHGE Cn1ncc(C(=O)N(Cc2ccccc2)C(C)(C)CBr)c1I 1915766257 XILAKBVNSDQGQP-UHFFFAOYSA-N 476.156 3.841 50 10 JHGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1cc(I)ccc1O 1922700380 BFCOFPKOKFLDMT-XYPYZODXSA-N 452.130 3.928 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1cc(Br)sc1Br 2006153807 NTKZAWUHGGCZAH-LWIVVEGESA-N 465.026 4.000 50 10 JHGE CC[C@@H](C)[C@@H](CI)NC(=O)c1ccc(I)c(O)c1 2081236709 RDLFVCSXDCWEDY-LDYMZIIASA-N 473.092 3.576 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CCBr)C1CCCCC1 2089706878 HIORTFZQAGHPJO-LJQANCHMSA-N 485.444 3.716 50 10 JHGE O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC(F)(F)C[C@H]1CBr 2159048875 INSWWHVLARVQNN-ZETCQYMHSA-N 453.530 3.896 50 10 JHGE O=S(=O)(c1sccc1Br)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2163291216 BEBUUNJXZHILDS-RQJHMYQMSA-N 457.131 3.705 50 10 JHGE O=S(=O)(c1occc1CBr)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179832755 OLQQHXURYUKGSY-UHFFFAOYSA-N 453.402 3.851 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1ccc(Cl)c(I)c1 2268350652 JJNVUPZYAULVPQ-UWVGGRQHSA-N 458.521 3.617 50 10 JHGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cncc(CBr)c1 2283300230 PQRAAQOJYCHLAC-SFHVURJKSA-N 452.418 3.650 50 10 JHGE FC1(F)CN(CCOCCI)CCCCN(Cc2ccccc2)C1 2306799319 MRSOWQUMMUWPHG-UHFFFAOYSA-N 452.327 3.671 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)c(OC)c1 2314737537 UJEKHBONQJCWGO-UHFFFAOYSA-N 472.925 3.619 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@H](Br)[C@H]1C2 2330792260 WDBATUKIPZSLKU-PPKCKEKNSA-N 474.012 3.758 50 10 JHGE CCN([C@@H]1CCC[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843299 RJQPUPPILMYKDC-RTBURBONSA-N 485.444 3.811 50 10 JHGE CCOC(=O)C1=C(CS(=O)(=O)c2ccncc2)NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 597147 ZUAWKQNJMCYABQ-HXUWFJFHSA-N 491.491 3.876 50 10 JHGE CC[C@H](Oc1ccccc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14024493 ACIISMKSCQRTQW-HNNXBMFYSA-N 486.160 3.595 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1)c1ccccc1Cl 14040749 SNAYKKSLIGUBRQ-UHFFFAOYSA-N 469.950 3.747 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 15714478 PNUIFCRQPKGDPG-UHFFFAOYSA-N 484.647 3.855 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2C)C(=O)N1c1ccc(Br)cc1 33389437 WUFRRPVCCWCCEF-KOXKPCSVSA-N 456.365 3.930 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-])c1ccccc1Cl 40647319 MGNFERISZKPPPS-UHFFFAOYSA-N 464.667 3.696 50 10 JHGE O=C(CSCC(=O)Nc1ccccc1)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59167192 BARZAHOMSLRRFH-ODXSWAAMSA-N 484.581 3.939 50 10 JHGE COC(=O)c1ccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1 217254129 ZOFCBBHOSIJJBQ-KAMYIIQDSA-N 461.259 3.844 50 10 JHGE CCCN(CCC)CN1C(=O)C(=NNC(=O)CSc2nc3ccccc3o2)c2ccccc21 254501073 JDSBOSQRQRXFII-UHFFFAOYSA-N 465.579 3.867 50 10 JHGE CCOC(=O)Cc1csc(=NC(=O)/C(C#N)=C\c2ccccc2)n1C(=O)/C(C#N)=C\c1ccccc1 254759442 MZMZULLIFGTMEV-CUVZTNSKSA-N 496.548 3.937 50 10 JHGE O=S1(=O)CC[C@@H](Oc2c(Br)cc(Br)cc2CBr)C1 310876453 HAUKJIFAAMRSIE-SECBINFHSA-N 462.985 3.672 50 10 JHGE O=C(N[C@H]1CCCN(CCBr)C1)c1cc(Br)sc1Br 384411950 FIILJVXKQAZQET-QMMMGPOBSA-N 475.044 3.862 50 10 JHGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1 1084303280 ZEGGDQDOZPWGJB-UHFFFAOYSA-N 496.523 3.955 50 10 JHGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)cc1OC 1772752121 URXOKFGGHOUWNK-UHFFFAOYSA-N 491.544 3.754 50 10 JHGE CCOC(=O)Cc1c(I)cc(OC(F)(F)F)nc1CBr 1848387587 GHDVQTWBRVWCPV-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE COc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)c(OC)c1 1858680563 AUQOKIGDVQJSDM-UHFFFAOYSA-N 468.422 3.635 50 10 JHGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4ccccc4[C@@H]3C2)n1 1868253957 ZIUYVDXFQXYUPY-QFIPXVFZSA-N 486.601 3.928 50 10 JHGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1872746878 DBGZKRPBYSLUIT-ZPHPHTNESA-N 456.505 3.798 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@H](Br)C2)cc1Br 1887741430 ACTKPKZGAVXLBK-KYZUINATSA-N 476.028 3.972 50 10 JHGE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)CCBr)c(Br)n1C 1915094541 KGXKTQZQNDFOOQ-LBPRGKRZSA-N 479.238 3.855 50 10 JHGE CCOC(=O)C12CCC(CI)(CC1)O[C@@H]2c1cnn(-c2ccccc2)n1 2080418931 JJFAEXOROOQAAE-IPJUCJBFSA-N 467.307 3.636 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2[C@H](CBr)[C@@H]2C1 2086139044 JXWPRAYBKIIHNI-JGPRNRPPSA-N 484.957 3.767 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CBr)C2CC2)cc1Br 2094135909 GPTCIIHHEPQARH-LLVKDONJSA-N 476.028 3.972 50 10 JHGE O=S(=O)(c1csc(CBr)c1)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2123241825 OTODUFRQJLUXNR-IRXDYDNUSA-N 455.443 3.786 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H]1C[C@@H](Br)C1 2221679071 DSDLTVCBZMZWCB-ZNMIVQPWSA-N 476.209 3.927 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2COC[C@@]2(CBr)C1 2226181639 JNXOYETZXZTXQN-JVXZTZIISA-N 474.012 3.757 50 10 JHGE COC[C@H](CCBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277933096 ONZLZVSUVTTXKE-LBPRGKRZSA-N 457.988 3.670 50 10 JHGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1OCC 2293198075 GOSUCMBZHNDQHU-UHFFFAOYSA-N 494.544 3.781 50 10 JHGE CCOC1(CBr)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295310727 AQAZBLQJOTWUPS-UHFFFAOYSA-N 469.999 3.767 50 10 JHGE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(Cl)cc3)cc2)n1 2329651385 NLGBOHISVZKJRF-UHFFFAOYSA-N 453.911 3.785 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)[C@@H]1CC=CCC1 2364230390 LUJQOPDCPAQNNX-BDAKNGLRSA-N 470.003 3.795 50 10 JHGE C/C(=C\C#N)N1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)Nc4nccs4)c3)cc2C1=O 8909413 MJGFQEYKFNAYJY-NTUHNPAUSA-N 457.471 3.671 50 10 JHGE COc1ccc(-c2nnc(COC(=O)/C(C#N)=C/c3cc(C)n(C[C@H]4CCCO4)c3C)o2)cc1 28076364 IBTISAAQQUEASI-FNUHDPNESA-N 462.506 3.993 50 10 JHGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2OCC)c(OC)c1 40987152 QGDAPYNFTSWIAI-XMHGGMMESA-N 452.507 3.902 50 10 JHGE Nc1ccc(O)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382703099 DJJGQLVUVKWDIK-RHSMWYFYSA-N 452.292 3.762 50 10 JHGE Cc1ccc(NCCCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N2CCOCC2)cc1 1084216945 JCAJNITVOFTNHS-UHFFFAOYSA-N 460.582 3.668 50 10 JHGE COC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3cccc(Cl)c3)sc2=O)c1 1772719879 KENHOUDCHWTLRA-UHFFFAOYSA-N 464.330 3.815 50 10 JHGE CCCCC(=O)NN=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCC)c1 1772720759 XOWYKBRNXONOOS-UHFFFAOYSA-N 458.511 3.971 50 10 JHGE Cc1c(C(=O)NCc2ccccn2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750862 AQSHYCLQSFRSKA-UHFFFAOYSA-N 453.502 3.932 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4cc(Cl)ccc4O)c(=O)c23)cc1 1860772638 CQGAKQYZSUSLSV-YCPBAFNGSA-N 452.923 3.943 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CCC[C@@H](CI)O1)CO2 2005246764 PDXZKTHDHOJQHZ-KBXCAEBGSA-N 451.345 3.919 50 10 JHGE C[C@H](Br)[C@H]1C[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br 2061894231 WHOTYKBRDSZUFP-SKWCMTHISA-N 462.001 3.662 50 10 JHGE O=C(NCC1(CBr)CC2(CCC2)C1)c1cc(I)sn1 2126374150 GPSVJZVJBRXPJZ-UHFFFAOYSA-N 455.159 3.823 50 10 JHGE Cc1cc(C(=O)N[C@H](CBr)c2cscn2)ccc1I 2142145519 UQTZBCJUPOXQQZ-LLVKDONJSA-N 451.127 3.922 50 10 JHGE CC[C@H](CCCl)S(=O)(=O)c1ncc(I)cc1Br 2251311055 PJJIKEJZTAIMBG-MRVPVSSYSA-N 452.539 3.630 50 10 JHGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCC(=O)O 2313556980 PVIOVKIBFJYHFZ-UHFFFAOYSA-N 459.502 3.634 50 10 JHGE COc1ccc2[nH]cc(C=NNC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)c2c1 2325903367 GNPMLCDERHJCAZ-KBPBESRZSA-N 463.563 3.784 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@@H](Cl)CC[C@H]2C1 2364214306 MOPXMEYRWOAJMC-KSZLIROESA-N 453.004 3.512 50 10 JHGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 10295242 WNNJNINSYPZKBE-LBPRGKRZSA-N 470.378 3.885 50 10 JHGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 13619715 NCASOSQAFLWCCC-MRXNPFEDSA-N 483.746 3.500 50 10 JHGE C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14033870 QDDAVXUAZCUMLF-CYBMUJFWSA-N 488.294 3.504 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 33959198 RGSOGMDEUZLLCF-CVKSISIWSA-N 464.474 3.791 50 10 JHGE CCOC(=O)c1ccc(N/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 39894192 REDVGBIEBDTLFI-XQNSMLJCSA-N 459.502 3.619 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCc1ccc(Cl)cc1 41018806 IXWCAUIXMTZMHG-XMHGGMMESA-N 454.910 3.653 50 10 JHGE CCOC(=O)Cn1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)c2ccccc21 58894828 PYDNCXIPGAVUOC-GGIMQYPNSA-N 451.523 3.567 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)c(N2CCOCC2)o1 59249316 HLQWOMGOQVWOEL-ZVBGSRNCSA-N 477.142 3.715 50 10 JHGE COc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101341462 MZBLIGXQEZQIPH-FYJGNVAPSA-N 492.503 3.959 50 10 JHGE CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2cccc(F)c2)c1 252625373 QIRKJBFSGUAGEJ-UHFFFAOYSA-N 450.426 3.905 50 10 JHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(OC)c2)c(OC)c1 254395701 RXGSLNRBYGNCIZ-ZTXNUQNHSA-N 489.528 3.642 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3C)cc2OC)cc1 254701496 NQHIDBGPRKXRHG-UHFFFAOYSA-N 489.528 3.502 50 10 JHGE CC(C)[C@H](C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)S(=O)(=O)C1CCCCC1 728456131 DAHRSMJRASMAPH-HSZRJFAPSA-N 490.597 3.938 50 10 JHGE C=CCc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)cc(OC)c1OCC(=O)O 1084097570 GRYRWYNPEFDQRO-UHFFFAOYSA-N 450.413 3.599 50 10 JHGE O=C(COc1ccccc1)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084522539 PTGULRBEKVVYTK-UHFFFAOYSA-N 478.346 3.938 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747532 MTYVLVVAUSPUGQ-UHFFFAOYSA-N 492.448 3.632 50 10 JHGE Cc1c(C(=O)NCc2cccnc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751839 ZTWOMYHSUNGFCK-UHFFFAOYSA-N 453.502 3.932 50 10 JHGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)c1ccccc1S(=O)(=O)CC(C)C 1865757356 YXGJUTJZNIGPAN-UHFFFAOYSA-N 487.528 3.840 50 10 JHGE C[C@@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866811385 NSIHLCAAKCSHQO-MRXNPFEDSA-N 473.620 3.864 50 10 JHGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C 1873792424 CAUBBRMLYFZGDX-VULFUBBASA-N 490.557 3.507 50 10 JHGE CCN(C[C@@](C)(CI)O[C@H]1CN2CCC1CC2)C(=O)OC(C)(C)C 2021067726 IOESONTWSWAXLF-MAUKXSAKSA-N 452.377 3.548 50 10 JHGE CN1CC[C@H]([C@@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2029045720 FCESFYVHVCIQSF-MNOVXSKESA-N 462.001 3.682 50 10 JHGE CN(C(=O)c1cc(I)sn1)[C@H](CCBr)C(F)(F)F 2058241004 WZDSSZLKHIBLCN-ZCFIWIBFSA-N 457.053 3.536 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(F)cc1Br 2136495510 ARZOZSWHMZNJGR-GZMMTYOYSA-N 464.138 3.716 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CCc2sc(Br)cc2C1 2206357252 RECOVLBMPGGFNB-UHFFFAOYSA-N 453.168 3.619 50 10 JHGE CC1(C)OCCN(C(=O)c2ccc(I)c(Cl)c2)[C@H]1CBr 2282798955 FTFFZGZXRDNTNI-LBPRGKRZSA-N 472.548 3.959 50 10 JHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)o1 2313619202 NROOTVJLKPONAK-UHFFFAOYSA-N 456.351 3.789 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](Br)C12CCC2 2338834705 AGVDRLCJSQTFAU-GOSISDBHSA-N 483.428 3.565 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCBr 2364214730 PKBDWPGFROGOKE-MSOLQXFVSA-N 499.471 3.916 50 10 JHGE CC(C)(C)OC(=O)NCC12CC(CCN1S(=O)(=O)c1ccc(CBr)cc1)C2 2365973240 KJIPRHZPHBNIAF-UHFFFAOYSA-N 459.406 3.649 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)C1(C(=O)O)CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 2374400525 MITIXJPSKVCROP-PKVOHCCOSA-N 459.303 3.535 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 13978992 VOQLFFNDFIVBLI-UHFFFAOYSA-N 478.412 3.770 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13979079 HVWCMVLMSBPBLD-UHFFFAOYSA-N 454.596 3.918 50 10 JHGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040752 FTKGPXVNKKFCCN-UHFFFAOYSA-N 499.976 3.512 50 10 JHGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 48571927 MFFQRIBCVZUBKZ-RWPZCVJISA-N 479.920 3.838 50 10 JHGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccccc4Br)c3N)CC2)c1C 54544511 VFZOMQUOPCVMEG-UHFFFAOYSA-N 496.413 3.522 50 10 JHGE COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc(OC)c1OC 97729923 LKDXVSYWACPZRI-AFUMVMLFSA-N 478.461 3.637 50 10 JHGE C[C@H](CBr)[C@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 167746816 TXCPJAWTJKHKDW-SFYZADRCSA-N 464.017 3.909 50 10 JHGE O=C(O)COc1ccccc1C=NNC(=O)CSc1nnc(SCc2ccccc2)s1 254308608 DQXYAKADMILAPU-UHFFFAOYSA-N 474.589 3.536 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2cc(Br)c(Br)s2)C1 386894648 YELCPPZHSHWBHU-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE CCOc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 725405243 LGHQBAACBSPKEL-UHFFFAOYSA-N 469.538 3.878 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OC 1084651795 NAQUAJCMVQPGIG-SXGWCWSVSA-N 462.287 3.922 50 10 JHGE C/C(=C(/F)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)C1CC1 1586977644 AIVGBWCWEMIULN-PDGQHHTCSA-N 451.907 3.555 50 10 JHGE CC(C)Oc1cccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860771023 GXEIMKWXSDIGKP-DMFQBTPQSA-N 494.617 3.792 50 10 JHGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714429 KBMJXUCKPMHOCF-LJQANCHMSA-N 451.870 3.979 50 10 JHGE Cc1nc(I)c(I)n1CC1CC(Br)C1 1893196422 RMBRBBWZBYQKAX-UHFFFAOYSA-N 480.913 3.574 50 10 JHGE C[C@H]1CN(c2ncc(I)cc2Br)C[C@H]1CBr 1988535429 XNAXKDGAUVZXIQ-JGVFFNPUSA-N 459.951 3.916 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)oc2Br)CCN1Cc1ccccc1 2059265068 OTJCPKXRKMSJTN-CYBMUJFWSA-N 492.233 3.832 50 10 JHGE Cc1cc(C(=O)N[C@@H](CBr)c2cscn2)ccc1I 2142145521 UQTZBCJUPOXQQZ-NSHDSACASA-N 451.127 3.922 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(Br)cc1Br 2178907023 NMAMPPMXDGKCSE-GHMZBOCLSA-N 469.015 3.751 50 10 JHGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCCCBr)cc1 2179828877 VANLZQHIODBHOH-UHFFFAOYSA-N 455.418 3.603 50 10 JHGE COc1ccc([C@H](Br)C2CCS(=O)(=O)CC2)cc1I 2269546137 NDZOOKZZGXIESW-CYBMUJFWSA-N 459.143 3.561 50 10 JHGE C[C@H](Cl)COCc1cn(-c2ccc(Br)c(I)c2)nn1 2278373233 NRMJRIHTKDIJQU-QMMMGPOBSA-N 456.509 3.778 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H](CCBr)O1 2283665721 WYSRDRXQEXILIL-GXSJLCMTSA-N 472.548 3.959 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325584234 APJCHFMXFDBQLT-MBSDFSHPSA-N 483.700 3.848 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCOCCI)CC2)C1 2326655328 WUVHCLPDOXUNNX-QGZVFWFLSA-N 466.404 3.797 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2330876480 BYMVBQCWSKDBOT-NBEYISGCSA-N 474.012 3.755 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1Cc1ccc(Cl)cc1I 2341012002 OCERVDXZMXLGNR-YPMHNXCESA-N 457.581 3.844 50 10 JHGE COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2C)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2945982 DVVULRWKBURKDT-OPEKNORGSA-N 485.928 3.956 50 10 JHGE CC(C)Oc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 10471689 JNEZTCKOPHPGHK-UHFFFAOYSA-N 486.160 3.839 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C)c(Br)c1 13980552 LNDLILPXEMKZDC-CYBMUJFWSA-N 478.412 3.986 50 10 JHGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14664769 YJHHYOBPIHPANA-UHFFFAOYSA-N 476.558 3.675 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)Cn2ccc3ccccc32)c(Br)c1 14776309 VHDITOHLIHYJMU-UHFFFAOYSA-N 458.356 3.928 50 10 JHGE COc1ccccc1C(=O)N/N=C1/C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21 138008947 JUKVOXBSYMCFBM-CVRXZBCSSA-N 469.545 3.756 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 252597556 CSQBAKWKADTEFG-INIZCTEOSA-N 465.539 3.615 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2cccc(C=NNC(=O)COc3ccc(Cl)cc3)c2)cc1 252602267 FGXSBNRJCUFXEX-UHFFFAOYSA-N 458.923 3.945 50 10 JHGE NC(=O)COc1ccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 254424593 ZHISQAHTUWYBEZ-UHFFFAOYSA-N 484.600 3.769 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])s2)cc1 254854858 PCTVIOXZQFIHOF-MCKKINNRSA-N 450.476 3.586 50 10 JHGE Cc1ccc(-c2cc(C(=O)NNC(=O)C3CCN(c4nc5ccccc5s4)CC3)n[nH]2)cc1 727483931 UUCXODGVAVMMSQ-UHFFFAOYSA-N 460.563 3.672 50 10 JHGE C=CCOc1c(Br)cc(C=NNC(=O)c2cc(Br)cn2C)cc1OC 812457971 SPJUFYCRMAUEOC-UHFFFAOYSA-N 471.149 3.887 50 10 JHGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OC)c1OCc1cccc2ccccc12 1084089866 CCUCARGMYHBDIJ-UHFFFAOYSA-N 473.573 3.938 50 10 JHGE O=C(CSCc1ccccc1)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084308100 WSWLVJCGKHGYOI-UHFFFAOYSA-N 460.515 3.895 50 10 JHGE Cc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1ccccc1F 1084536543 FTRUOERVXRMPRA-UHFFFAOYSA-N 476.961 3.803 50 10 JHGE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccc(CBr)cc1 1260505821 QZFDJVYQYQZTPN-ZBFHGGJFSA-N 461.422 3.895 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NS(=O)(=O)c1ccc(CBr)cc1 1260511290 YADLIVKYQUCHSB-INIZCTEOSA-N 459.406 3.649 50 10 JHGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)c(Br)c1 1772756169 MQKKSALMILQPIS-UHFFFAOYSA-N 450.289 3.848 50 10 JHGE CC(=O)Nc1c(Br)cc(C(=O)NCCCBr)cc1Br 1866064065 RFTVWAZQJNEAKQ-UHFFFAOYSA-N 456.960 3.685 50 10 JHGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cccc(I)c1 2023038749 ZPKINIZGNXRYNX-BXKDBHETSA-N 457.093 3.871 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2cc(Br)c(Br)s2)C1 2077901198 UAICYOQFHJKWNR-JCJUMFQOSA-N 462.001 3.945 50 10 JHGE O=C(NC[C@H]1C[C@H](Cl)CCO1)c1ccc(I)c(Br)c1 2097944188 BNNVEWYLFOHITK-NXEZZACHSA-N 458.521 3.570 50 10 JHGE Clc1ccc(I)c(CN2C[C@@H]3CCO[C@]3(CBr)C2)c1 2231265408 IYWDLDBLGJEMSQ-SMDDNHRTSA-N 456.549 3.930 50 10 JHGE C[C@@](CI)(OCCCS(C)(=O)=O)c1ccccc1Br 2278351849 ZKAYWUQPGSTHIP-ZDUSSCGKSA-N 461.159 3.551 50 10 JHGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 2313621006 GBDFHGJWARXAAN-UHFFFAOYSA-N 458.754 3.761 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H](Br)CC(C)(C)C 2338691671 VEXCUQOVWNNFQT-SSDOTTSWSA-N 460.008 3.875 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CCCBr)CCC1 2338842023 FBHPLSYPMMXRAA-UHFFFAOYSA-N 485.444 3.860 50 10 JHGE CN1CCN(Cc2ccc(I)c(Br)c2)[C@H](CCCl)C1 2349830934 SBFCKDNIXOMVJE-GFCCVEGCSA-N 457.581 3.799 50 10 JHGE C=CC[C@@]1(CCl)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364190106 JHBBFCLULPOFID-QFIPXVFZSA-N 453.004 3.680 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CCC[C@H]2C[C@@H]1CCl 2364195218 NTXCHIWGUKCZKE-QKLQHJQFSA-N 453.004 3.655 50 10 JHGE CN(CC1CC(Br)C1)C(=O)[C@@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370333020 RBVHXTNTQHANLG-KNIAUWFNSA-N 465.369 3.867 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 12130260 GLFRQPKIBJEYPJ-DTBMRADHSA-N 456.365 3.930 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] 40586205 PDHYDJNSZWBMRD-UHFFFAOYSA-N 475.292 3.908 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNc2ccccc2)c1[N+](=O)[O-] 40624624 FGAYCZOQNAQFTH-UHFFFAOYSA-N 464.269 3.653 50 10 JHGE O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cccc(N2CCCC2=O)c1 59507798 AFMGWAYGULWCOC-UFFVCSGVSA-N 481.144 3.808 50 10 JHGE CCS(=O)(=O)CCOc1c(Br)cc(Br)cc1CBr 385012346 XIFIJTBEELGQDB-UHFFFAOYSA-N 465.001 3.920 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCc1nc(C2(NC(C)=O)CCCCCC2)no1 743619819 YVEPGIAKTXLNTG-UHFFFAOYSA-N 456.499 3.930 50 10 JHGE COc1ccccc1NC(=O)NN=Cc1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 1084008862 GWBAVRMBYURTDN-UHFFFAOYSA-N 450.451 3.655 50 10 JHGE Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084147749 MCIWMJUSADTZKY-UHFFFAOYSA-N 469.881 3.673 50 10 JHGE C=CCC[C@H](NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 1653911697 WQZSOAITZJUTBE-SFHVURJKSA-N 450.417 3.672 50 10 JHGE CC(=O)N1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c2ccccc21 1685700386 ZKHFEGBRFWRYNZ-JOCHJYFZSA-N 458.518 3.561 50 10 JHGE CSCC[C@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866905443 DGMXBWGMAWNNTP-QFIPXVFZSA-N 484.647 3.515 50 10 JHGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Nc4ccccc4)cc3)C2)C1 1872961604 MFXRMQVBZZGWAO-NHCUHLMSSA-N 498.587 3.560 50 10 JHGE Brc1cc(CO[C@H]2COC[C@@H]2Br)ccc1I 1904373472 GIGLYGGLTITPOG-ONGXEEELSA-N 461.919 3.733 50 10 JHGE CO[C@@H](CCBr)CNC(=O)c1ccc(Br)cc1I 2086148984 IRGKFFDLGJLWBR-VIFPVBQESA-N 490.961 3.584 50 10 JHGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2123209975 KSJMTSQIXVKGMA-SJORKVTESA-N 455.805 3.882 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCOC[C@H]1CCCl 2142287394 CTMQBDQBXLYHGU-SNVBAGLBSA-N 458.521 3.524 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2143976579 NTZMLLDZAHXVSL-GBIKHYSHSA-N 450.114 3.775 50 10 JHGE CC1(C)CO[C@H](CCl)CN1C(=O)c1ccc(Br)cc1I 2207272122 MSTBQIFFEFONAL-SNVBAGLBSA-N 472.548 3.912 50 10 JHGE CCN(C(C)(C)CBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826157 HKUPUXNPEBTZMO-UHFFFAOYSA-N 473.433 3.668 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CC[C@H](Br)C1(C)C 2338670254 OCNWQVYVUOVSFP-NKWVEPMBSA-N 457.992 3.627 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCC[C@H](CBr)C1 2338864537 WPSZYSPPFXSFIW-JGVFFNPUSA-N 457.992 3.629 50 10 JHGE O=S(=O)(C[C@H](Br)c1ccc(Cl)cc1I)N1CCCC1 2340026560 BLSNVQKFJMVOSG-NSHDSACASA-N 478.577 3.806 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](CBr)CC(C)(C)C1 2364024055 IDEYHLLFYHFGJK-QMMMGPOBSA-N 472.019 3.828 50 10 JHGE Cc1cccn2cc(COc3ccc(C(=O)NNC(=O)c4cc(-c5ccccc5)n[nH]4)cc3)nc12 10891593 RIFZDDLOPMMGOX-UHFFFAOYSA-N 466.501 3.687 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 12501477 CWVYIIVCVMSSQD-UHFFFAOYSA-N 491.194 3.779 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12570224 SMOBFPNDFDNZBS-UHFFFAOYSA-N 497.404 3.837 50 10 JHGE Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14639353 RXPRIHDUVWWQDI-ZDUSSCGKSA-N 455.736 3.713 50 10 JHGE COc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OC(=O)c1ccco1 15930462 MDUYBUUWNUEGGZ-UHFFFAOYSA-N 490.253 3.876 50 10 JHGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4cccc([N+](=O)[O-])c4)c3[N+](=O)[O-])c2n1 40618659 KAMVEWKWJVAANL-UHFFFAOYSA-N 461.394 3.699 50 10 JHGE COc1ccccc1Oc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40658405 JSJFQWNNAZLJDD-UHFFFAOYSA-N 460.244 3.705 50 10 JHGE Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)n1 254379091 QSCJOQQWQJVROR-UHFFFAOYSA-N 451.508 3.823 50 10 JHGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(O)cc2O)C1 382711139 YSEXLIBAZUKFTC-PBHICJAKSA-N 453.276 3.885 50 10 JHGE Clc1ccc(I)c(CN2CCN3C[C@H](Br)C[C@H]3C2)c1 405298170 LXNHLGBJRZCKMB-YPMHNXCESA-N 455.565 3.598 50 10 JHGE C[C@@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc2C1 914507428 GYUBNZVPSWQTED-QAEYNFOBSA-N 464.573 3.934 50 10 JHGE O=C(Cc1ccc(Cl)cc1)NN=Cc1cc(Br)c(O)c(Br)c1O 1084320886 JWQMVJLHTKQIEC-UHFFFAOYSA-N 462.525 3.969 50 10 JHGE Nc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1[N+](=O)[O-] 1614629415 IXJSSQFBTANXQE-CVEARBPZSA-N 481.290 3.964 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Cl)c(Br)c2)cc1 1667799180 OIMDKARJTHFHGE-LLVKDONJSA-N 454.708 3.925 50 10 JHGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4F)c(C)c32)cc1 1772745107 SFSRFQLKRNOMLY-UHFFFAOYSA-N 462.481 3.581 50 10 JHGE CCOC(=O)Cc1cc(CBr)c(I)c(OC(F)(F)F)n1 1848387682 NTHCLOCTVJCCMJ-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC=C[C@H](Br)C1 2000853493 HPZHACCHLTYNPK-VIFPVBQESA-N 470.930 3.829 50 10 JHGE O=C(c1cc(I)sn1)N1CC2(CCC2)CC[C@@H]1CBr 2120024618 CVQJZSYBNYCQQS-SECBINFHSA-N 455.159 3.918 50 10 JHGE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163057094 YGEHUKURYXTARK-ZBFHGGJFSA-N 461.422 3.895 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2179818579 BFQUIADETHKHOR-ROUUACIJSA-N 469.470 3.828 50 10 JHGE O=C(c1cc(I)sn1)N1CCC2(CC[C@@H](Br)C2)CC1 2272426135 NZOVJRHVOOAQLM-SECBINFHSA-N 455.159 3.918 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC2(C1)OCCC[C@@H]2Br 2283665072 SYGNESSGIBNVLM-LBPRGKRZSA-N 470.532 3.713 50 10 JHGE CN([C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)S(=O)(=O)c1ccc(CBr)cc1 2289912152 GESIKNRHPFPZFQ-MRXNPFEDSA-N 461.422 3.848 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295308996 DFTAANFQZVCQST-CHWSQXEVSA-N 469.999 3.765 50 10 JHGE O=C(NN=Cc1cc(Cl)ccc1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295464500 SXNPYFPZJNEUOM-UHFFFAOYSA-N 463.877 3.696 50 10 JHGE Cc1nc(Br)c(C(=O)N[C@H](CCBr)COCc2ccccc2)n1C 2303542282 BQANUWKNWHGGDE-CQSZACIVSA-N 459.182 3.591 50 10 JHGE CCCN(C[C@@H](C)Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316822189 OOYIUQVTPYOAOL-MRXNPFEDSA-N 473.433 3.668 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCCc2ccccc2)cc1 10509369 UWJBSLNGBIAEJC-UHFFFAOYSA-N 476.529 3.715 50 10 JHGE COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 48573129 DAJPYKNAMXPMTA-AFUMVMLFSA-N 451.866 3.657 50 10 JHGE COc1ccccc1NC(=O)N/N=C/c1cc(Br)c(I)o1 59104532 GLJDGIQGQNHYBX-FRKPEAEDSA-N 464.057 3.811 50 10 JHGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCC(=O)OCC 59333270 XSDJQPDMUZKUSN-PTGBLXJZSA-N 459.546 3.613 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](Br)C2)cc1Br 158638825 UWJFTLCANLWSTJ-MRVPVSSYSA-N 462.001 3.678 50 10 JHGE C[C@@H](Br)[C@](Br)(CBr)C(=O)Oc1ccc([N+](=O)[O-])cc1 205782579 BZDKPBYUSSCYRI-RDDDGLTNSA-N 459.916 3.812 50 10 JHGE CCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCCOC)cc1OC 207003968 UBJUYUULUAHCTH-UFRWOVKTSA-N 464.518 3.772 50 10 JHGE O=C(COc1cccc2ccccc12)NN=C1C(=O)N(CN2CCCCCC2)c2ccccc21 254769366 LIRRFDUKFCJTIG-UHFFFAOYSA-N 456.546 3.919 50 10 JHGE CN(CCOCCBr)C(=O)c1cc(Br)ccc1I 302490855 ZXGYCGKGMUJGTH-UHFFFAOYSA-N 490.961 3.537 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(c2ncc(C(F)(F)F)cc2I)C1 686111362 MKFIEPYGWCNWGR-RKDXNWHRSA-N 465.051 3.694 50 10 JHGE CN(CCCC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(=O)OC(C)(C)C 728216831 JGCUZHRHTHVKBP-UHFFFAOYSA-N 462.572 3.578 50 10 JHGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1c(Br)cccc1Br 1878695608 JOEPPYNWOODDPK-GZMMTYOYSA-N 455.972 3.741 50 10 JHGE C[C@H](Br)[C@@H]1C[C@H]1NC(=O)c1ccc(I)c(Br)c1 1908453236 NUGLKJJPYOTKGO-GEOGLEFRSA-N 472.946 3.955 50 10 JHGE Cn1ncc(Br)c1S(=O)(=O)N(Cc1ccccc1)C(C)(C)CBr 1915754717 BUFYUKSHTGQOOK-UHFFFAOYSA-N 465.211 3.547 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)C1CC(OCc2ccccc2)C1 1977072078 SDQRGPCQAVBKAG-UHFFFAOYSA-N 469.239 3.592 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCOC12CN(C(=O)OC(C)(C)C)C2 2010827343 PFLSVMWEEXIKPI-MRXNPFEDSA-N 477.693 3.651 50 10 JHGE CC[C@@]1(NS(=O)(=O)CCC(CCl)CCl)CCCN(C(=O)OCc2ccccc2)C1 2106295717 KMHXOKYUDOUVHT-HXUWFJFHSA-N 465.443 3.971 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159409836 SBCUODTXJYFEEX-XHDPSFHLSA-N 450.114 3.634 50 10 JHGE O=C(c1ccc(Br)cc1I)N1[C@H](CCl)C[C@H]2OCC[C@H]21 2207260292 FVPQKDKTSAWOTM-ZWKOPEQDSA-N 470.532 3.665 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCCC[C@@]2(CBr)C1 2238803655 VYMZJBMQFYKPRV-KSFYIVLOSA-N 497.455 3.526 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCSC[C@H]1CBr 2256390363 OQFNHTCEELXEKH-SECBINFHSA-N 460.562 3.897 50 10 JHGE C[C@@H]1COCCN1CCO[C@@H](CI)c1ccccc1Br 2285515064 DBNXHFCOQVQBIB-DOMZBBRYSA-N 454.146 3.663 50 10 JHGE Cc1nc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)n1C 2303542281 BQANUWKNWHGGDE-AWEZNQCLSA-N 459.182 3.591 50 10 JHGE C[C@@H](CCCCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827897 VZZIWAXOPNYFIP-INIZCTEOSA-N 473.433 3.716 50 10 JHGE CCCCCN1C(=O)C(=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21 2320479855 UPVIQPWNNKIHDY-INIZCTEOSA-N 491.617 3.640 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCC[C@H]1CCBr 2338850801 VCBNKPZYROUHFA-LPHOPBHVSA-N 485.444 3.716 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@]2(CCC[C@H]2Br)C1 2364230657 OZDKEVVTFRRBPC-OQPBUACISA-N 470.003 3.725 50 10 JHGE C=CCOc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 14644462 TYDPPJZXSLXVJG-LBPRGKRZSA-N 453.720 3.896 50 10 JHGE Cc1ccc2c(Nc3ncnc(NNC(=O)c4ccccc4[N+](=O)[O-])c3[N+](=O)[O-])cccc2n1 40658100 HUTFBMVEIFOAJP-UHFFFAOYSA-N 460.410 3.650 50 10 JHGE C#CCOc1cc(Br)c(/C=N/NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 58894240 ATMSISSJZMKEHL-PXMCARDJSA-N 489.366 3.832 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(Cl)cc3)nc12 102846798 HZGOOZYBZSNJKJ-UIRWJGRMSA-N 464.909 3.651 50 10 JHGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 206642844 PHZBGZFAWTWPLM-NVNXTCNLSA-N 470.551 3.903 50 10 JHGE O=C(Cn1nc2ccccc2n1)NN=Cc1ccccc1OCc1ccc(Br)cc1 252628428 SQDLHEMOXRKYHA-UHFFFAOYSA-N 464.323 3.923 50 10 JHGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 383679728 WJCBDALKSPARFZ-SJORKVTESA-N 473.795 3.974 50 10 JHGE Clc1ccc(I)c(CN2CCN3C[C@@H](Br)C[C@@H]3C2)c1 405298169 LXNHLGBJRZCKMB-WCQYABFASA-N 455.565 3.598 50 10 JHGE Cc1cccc(C(=O)NC[C@]2(CBr)CCCOC2)c1I 700911139 KOQUEUCVZWCZFF-OAHLLOKOSA-N 452.130 3.521 50 10 JHGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)cc1OC 725392376 UICTXIVYRGKYOT-UHFFFAOYSA-N 490.604 3.927 50 10 JHGE C[C@@H](Sc1ccccn1)C(=O)NN=Cc1cc(Br)cc(Br)c1O 1083899335 ZTBRUHLLOWRJCP-SECBINFHSA-N 459.163 3.943 50 10 JHGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 1084096989 JPXPZGYRWBLPON-OAQYLSRUSA-N 462.502 3.967 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)cc1 1466265070 GUJVGXGVZKFELS-GFCCVEGCSA-N 459.915 3.681 50 10 JHGE COc1cc(C=NNC(=O)c2cc(Cl)ccc2O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1565518064 PHPWYKQBYMFSFO-UHFFFAOYSA-N 469.837 3.946 50 10 JHGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751357 PIFCVUHWTABLRC-UHFFFAOYSA-N 456.499 3.503 50 10 JHGE Cc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1C 1859004333 PAEKLPNPAQGCST-UHFFFAOYSA-N 497.529 3.661 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680229 CUAOLIKXAHUKAB-OAQYLSRUSA-N 453.458 3.572 50 10 JHGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1 1866667494 RDEYFBPKTMYVJK-LJQANCHMSA-N 470.938 3.535 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1cc(CBr)sc1[N+](=O)[O-] 1912989584 NDMKZEHWSVHGPN-UHFFFAOYSA-N 475.324 3.966 50 10 JHGE O=C(N[C@@H](CCl)C[C@@H]1CCCO1)c1cc(Br)ccc1I 1926748563 JPSPDHGSSIZFKK-MNOVXSKESA-N 472.548 3.960 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC(CCBr)C1 2034855951 HULJBHMIALTZAQ-UHFFFAOYSA-N 462.001 3.617 50 10 JHGE O=C(NC[C@]1(F)CC[C@@H](CBr)CC1)c1cc(I)sn1 2122079434 UBPNVQBIHWZLHI-LYWQIFSTSA-N 461.138 3.771 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2179819304 KLASTHDGBPPGSY-ROUUACIJSA-N 453.402 3.626 50 10 JHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1C 2268645123 OCTKSZLAFTXGLZ-WGDIFIGCSA-N 486.377 3.567 50 10 JHGE O=C(NC[C@H]1CC[C@H](CCl)CO1)c1ccc(I)c(Br)c1 2279401440 LKKPEGDULYLUJY-MWLCHTKSSA-N 472.548 3.818 50 10 JHGE O=C(NCCC#CCBr)c1cc(I)ccc1Br 2303676192 IFCRDCYBILNVKX-UHFFFAOYSA-N 470.930 3.572 50 10 JHGE N#CC(=CNCc1cccc(CN)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324603022 WRMCHXYPXLKNSS-UHFFFAOYSA-N 465.601 3.576 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1(C)C 2325401187 RHFYOGYJAWLIAG-OAQYLSRUSA-N 493.692 3.725 50 10 JHGE CC(C)Oc1cccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325886478 GXEIMKWXSDIGKP-DLBZAZTESA-N 494.617 3.792 50 10 JHGE CCOc1cccc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1O 2325904635 LVWFYQJAHZGXFC-UHFFFAOYSA-N 462.531 3.688 50 10 JHGE N#CC(=Cc1cc(Br)c(O)c(Br)c1O)S(=O)(=O)c1ccccc1 2331030377 JMVIORZAOAKYOV-UHFFFAOYSA-N 459.115 3.961 50 10 JHGE COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc(OC)c1OC 20074999 CQOZNSAAQPAYOI-RPPGKUMJSA-N 471.897 3.506 50 10 JHGE COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)[C@@H](NC(=O)Cc3cccs3)C(C)C)o2)c1 33624888 NXPJSLIOHFBCTA-VNEPXBKZSA-N 467.547 3.628 50 10 JHGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 33959273 SJIGFBJQUKEJJB-AFUMVMLFSA-N 479.445 3.604 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)COc2cc(C)cc(C)c2)cc1 59165492 VIEGYJLGXQYLBP-MFKUBSTISA-N 452.532 3.909 50 10 JHGE CC1(C)CN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@H](CBr)O1 164342617 VYKODKZUNNNLGM-JTQLQIEISA-N 461.603 3.666 50 10 JHGE O=C(C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21)NN=Cc1c2ccccc2cc2ccccc12 254291964 RDAHPAZOQFEOKU-XMMPIXPASA-N 460.497 3.669 50 10 JHGE COc1ccc(C=NNC(=O)c2cccnc2)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 254795449 NZFZNKNDLRUYET-GOSISDBHSA-N 474.561 3.991 50 10 JHGE CC(C)[C@@H](CI)NS(=O)(=O)c1c(Cl)cccc1Br 310697460 BMOSQRCMUJGGMY-SNVBAGLBSA-N 466.566 3.840 50 10 JHGE CCOC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@H](C(=O)c2ccc(OC)cc2)N2C=C(C#N)C=C[C@H]21 504579727 QRONPCGXIRMSDP-FQJHJXCSSA-N 483.524 3.773 50 10 JHGE COC[C@@](C)(CBr)N(C)c1ncc(C(F)(F)F)cc1I 686115571 VBWHVFOOOMLKOR-LLVKDONJSA-N 467.067 3.941 50 10 JHGE C[C@@H](CBr)[C@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703964628 KRMWGRCICJCSIH-MAUKXSAKSA-N 485.444 3.524 50 10 JHGE CC(=O)N1CCc2cc(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)ccc21 914463460 FVIZVLIQWCWWRT-KGENOOAVSA-N 450.502 3.918 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(F)cc2F)cc1 918948822 CVASXILHTFSVTM-VUVCFOEZSA-N 480.471 3.924 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccc(-c3ccccc3)o2)cc1 920853520 BHBAXXHGPWBTKB-RCCKNPSSSA-N 495.539 3.917 50 10 JHGE N#C/C(=C/c1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12)C(=O)NC1CC1 1084467294 AVLBFBJEEZOMIZ-WJDWOHSUSA-N 469.383 3.992 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(N(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 1084523245 TUHGDKITMCUIFV-UHFFFAOYSA-N 462.575 3.898 50 10 JHGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1 1084595502 NMMUQOWPJHKHJI-HNNXBMFYSA-N 475.578 3.841 50 10 JHGE C=CC(=O)Nc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 1135968162 LLCFCWPCDQWWGG-UHFFFAOYSA-N 451.486 3.739 50 10 JHGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 1772746800 FJTWZUKVDPUGQV-UHFFFAOYSA-N 461.478 3.851 50 10 JHGE Cc1nc2scc(C)n2c1/C=N/NC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860773554 AKQNGFJBWGTFSG-HFDIFZMHSA-N 468.608 3.620 50 10 JHGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(SCC(C)C)cc3)cc2C1=O 1865757968 CSEPPASAKQHCFZ-OAHLLOKOSA-N 453.564 3.904 50 10 JHGE O=S(=O)(CI)N[C@@H]1CN(Cc2ccccc2)C2(CCCCCC2)C1 2007719633 UEXHDZFBVHEGGX-KRWDZBQOSA-N 462.397 3.666 50 10 JHGE CN1CC[C@H]([C@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2029045719 FCESFYVHVCIQSF-GHMZBOCLSA-N 462.001 3.682 50 10 JHGE CCS(=O)(=O)CC(CBr)(CBr)c1ccccc1Br 2045273593 LYGKIWSQQKQYIS-UHFFFAOYSA-N 463.029 3.911 50 10 JHGE O=C(NCC[C@H]1COC[C@@H]1Br)c1cc(Br)ccc1Br 2111281245 ZIFBNRHFGYVRMF-UFBFGSQYSA-N 455.972 3.741 50 10 JHGE C[C@](CI)(OC[C@@H]1COCCCO1)c1ccccc1Br 2154011990 AJSOLNSTFRKQDZ-SWLSCSKDSA-N 455.130 3.921 50 10 JHGE O=S(=O)(N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21)c1cc(Br)ccc1Br 2166864985 LMZRLERPDFODPB-ZIYJGFGOSA-N 488.039 3.909 50 10 JHGE O=S(=O)(N[C@H](CBr)c1cscn1)c1ccc(Cl)c(Br)c1 2175671797 YMDRSAQWKHFHOZ-SNVBAGLBSA-N 460.600 3.974 50 10 JHGE CSCC[C@@H](Br)CCNS(=O)(=O)Cc1ccsc1Br 2226101947 KOZDRCNGLIJKNU-JTQLQIEISA-N 451.271 3.837 50 10 JHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(Cl)cc1CCl 2231005165 XSETXLVUBINVLB-IBGZPJMESA-N 459.326 3.845 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@H](Br)CC12CCCC2 2241030911 NQDAQCFILLDIRT-LLVKDONJSA-N 450.114 3.919 50 10 JHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCN1CCOCC1 2296727455 CMUDYRNARPLEHS-UHFFFAOYSA-N 461.953 3.548 50 10 JHGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)cc1 2296732335 WWEGIRPAFPFDIB-UHFFFAOYSA-N 466.497 3.761 50 10 JHGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@H]1COc2ccccc2O1 2314737316 XITLTPMCBMHJHY-RUZDIDTESA-N 470.481 3.664 50 10 JHGE COc1ccc(CCNC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1OC 2325405891 LYOJXKKUDOSKGW-UHFFFAOYSA-N 491.329 3.795 50 10 JHGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)nc2c1 2331046348 IHWCEUMCCMNYKT-UHFFFAOYSA-N 456.252 3.663 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2358643734 UWCKCNFYQKNLER-ZOBUZTSGSA-N 459.406 3.505 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1ccc(Cl)cc1I 2365586773 PPMURNYPXWFNBC-VXGBXAGGSA-N 470.532 3.759 50 10 JHGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Cl)cc1 12502885 PANQSSUWCYNXAM-UHFFFAOYSA-N 490.796 3.907 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 14030109 VGTNZKFMUXUQFD-UHFFFAOYSA-N 463.987 3.850 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14040945 LNGRYQAGRHWNTN-UHFFFAOYSA-N 492.528 3.551 50 10 JHGE O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041119 CACSCPJXOSDATI-UHFFFAOYSA-N 483.977 3.676 50 10 JHGE COc1cc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc(OC)c1OC 14645652 IUZLNWAAFVBWDQ-UHFFFAOYSA-N 495.370 3.975 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)cc(C)c1 14654045 OFXQMVLZUJUSOP-UHFFFAOYSA-N 494.411 3.569 50 10 JHGE Nc1c(NNC(=O)Cc2ccccc2)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 40729965 XBNKUPUPEWHEJX-UHFFFAOYSA-N 493.615 3.656 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CC2CCCC2)c(Br)c1 100431747 ORTACZRCVPRHRF-UHFFFAOYSA-N 470.433 3.728 50 10 JHGE COCCOCCOCCO[C@@H](CI)c1ccc(Br)cc1 162594371 BWLUWMYBPNZBKK-HNNXBMFYSA-N 473.145 3.621 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H](CBr)O1 230046119 HKQZONYJUZJBBS-WPRPVWTQSA-N 455.972 3.836 50 10 JHGE Cc1cccc(C(=O)N2C[C@@H](CBr)OC(C)(C)C2)c1I 235915963 GQCRDYNFCFHMET-LLVKDONJSA-N 452.130 3.614 50 10 JHGE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NNC(=O)c1ccc(Br)cc1Cl 728827479 RMVZZDSJBMZWMR-KRWDZBQOSA-N 450.720 3.839 50 10 JHGE C[C@H]1CN(C(=O)NNC(=O)c2ccc(Br)cc2Cl)C[C@H](c2ccccc2)O1 728956591 XLSCXHAHLMAPPO-YVEFUNNKSA-N 452.736 3.919 50 10 JHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=CCCC 1084389978 IGSODSCNELOPSF-UHFFFAOYSA-N 498.394 3.675 50 10 JHGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1260505309 ZMEFOEBAAXWUJY-GDBMZVCRSA-N 461.422 3.753 50 10 JHGE C=CCn1c(SCC(=O)NNc2cnc3ccccc3n2)nnc1-c1ccc(Cl)cc1 1633678946 PGQIHLYOCNMALC-UHFFFAOYSA-N 451.943 3.963 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)cc1 1674533771 INPOJNMBDYIBBX-ZDUSSCGKSA-N 452.433 3.594 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Br)c(C)c2F)cc1 1677108794 VWZACOPMSMTOCS-GFCCVEGCSA-N 452.280 3.719 50 10 JHGE CCOC(=O)Cc1cc(I)c(OC(F)(F)F)nc1CBr 1848387600 GUUPHZFYTOJXTL-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccccc3)C(=O)C2)n1 1868253228 CSJMHVGYQTXGLS-UHFFFAOYSA-N 460.563 3.835 50 10 JHGE Cc1c(N=[N+]=[N-])cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B(O)O 1887505042 XFUWUTFDCIOTDW-UHFFFAOYSA-N 497.364 3.683 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CC[C@](C)(CI)O2)CC12CCOCC2 1949511400 LENAWXGVLGJDKC-AEFFLSMTSA-N 451.345 3.919 50 10 JHGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1985349696 DLFRMDPKJWTROK-HOTGVXAUSA-N 465.682 3.507 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(Cc2ccccc2)[C@]2(CCOC2)C1 2010824877 BMTOIHDZPOPYIW-NZQKXSOJSA-N 467.701 3.916 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2csc(Br)c2Br)[C@@H]1Br 2078736169 CVBPTYHTMYYPFB-XPUUQOCRSA-N 462.001 3.944 50 10 JHGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2144830283 HXVJXTGRLCJGDF-HDICACEKSA-N 469.832 3.940 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179953706 DEFRLMCGOOSWDD-ZWKOTPCHSA-N 465.404 3.581 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H](C(F)(F)CBr)C1 2197755954 YFHGKWAQNJNTSZ-QMMMGPOBSA-N 453.168 3.860 50 10 JHGE O=C(N(CC(F)F)[C@@H]1CCCN(CCCCCI)C1)C(F)(F)F 2214704578 GTIPYWALPLXOSL-LLVKDONJSA-N 456.237 3.712 50 10 JHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2295672693 SKXGNFOJESOCSA-UHFFFAOYSA-N 469.526 3.732 50 10 JHGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 2296846422 KLFDZDXKTPYNNO-UHFFFAOYSA-N 489.601 3.757 50 10 JHGE N#CC(=Cc1ccc(-c2ccc(-n3cnnn3)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2297579150 BMVJJHWRIWJWSS-UHFFFAOYSA-N 485.529 3.507 50 10 JHGE O=C(N[C@H](Cc1ccccc1)C(=O)NN=Cc1ccc(Br)cc1)c1ccccc1 2297635498 BNYFVGDRMYXIFW-OAQYLSRUSA-N 450.336 3.941 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)C[C@H](Br)C(F)(F)F 2316897477 TXSUVOLAWKFOJF-LURJTMIESA-N 457.914 3.703 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCCC[C@H](Cl)C1 2364215089 RDUPSIDIMQMYQO-ROUUACIJSA-N 455.020 3.950 50 10 JHGE FC(F)CC1(CBr)CCN(Cc2ncc(I)cn2)CC1 2381289591 YGAZKBDXWLWCBL-UHFFFAOYSA-N 460.104 3.714 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14007363 YYDCXXLMJFNOMM-NSHDSACASA-N 458.729 3.980 50 10 JHGE CCOc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OC 34253881 KMTQLRSYQFGJMW-QPEQYQDCSA-N 452.248 3.515 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1 58893907 BDHMCKZTYHEYLB-HJJPONFSSA-N 469.321 3.819 50 10 JHGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1)c1ccc(O)cc1O 254448292 ICQMNMQPQGUADN-UHFFFAOYSA-N 487.622 3.581 50 10 JHGE O=C(Cl)c1cc(I)nc(I)c1OC(F)(F)F 396182548 QFPJDJIHQRSAGT-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE O=C(Cl)c1cc(I)nc(OC(F)(F)F)c1I 396186879 WUEFIGLAPARNBI-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE CC(=NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 730583394 LOFZPAQYBOCTRD-INIZCTEOSA-N 497.602 3.709 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)c(C)n1-c1ccc(F)cc1 747162723 IDNANAZGGXWNFE-PZSRYKBRSA-N 489.473 3.830 50 10 JHGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712279 UUPXHUWDFTYKFK-HXUWFJFHSA-N 465.853 3.732 50 10 JHGE O=C(N[C@@H](C[S@](=O)C[C@H]1C[C@@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1883576862 HHDGURMDMYIUHK-QSWFRSIKSA-N 492.391 3.510 50 10 JHGE C[C@H](CCCl)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1960067453 CFZILEJVZGHBEO-UZUQRXQVSA-N 480.989 3.860 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Br)c(Br)s2)C[C@@H]1Br 2067182138 HPTYHCZDLCWDOQ-VMHSAVOQSA-N 462.001 3.944 50 10 JHGE CC1(C)C[C@H](Br)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089699353 VODPRQRMRBVZKH-MRXNPFEDSA-N 485.444 3.668 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCO[C@H](CCBr)C1 2116239718 WHYFEZBYIKFXNF-SNVBAGLBSA-N 458.521 3.571 50 10 JHGE CC(C)(C)OC(=O)N1CC(N(CC2CC2)S(=O)(=O)c2ccc(CBr)cc2)C1 2163050490 KGIZRGPQLVFLQS-UHFFFAOYSA-N 459.406 3.602 50 10 JHGE O=S(=O)(c1occc1CBr)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179833022 RPMYFGGHDIZLTR-HXUWFJFHSA-N 453.402 3.851 50 10 JHGE ClC[C@H](OCCOCCOCCOCc1ccccc1)[C@@H](I)CCl 2214899200 QODWHBBOOBWOLH-IRXDYDNUSA-N 491.193 3.903 50 10 JHGE Cc1ccc(C(=O)NC[C@H](CBr)C(F)(F)F)cc1I 2224619034 SLZFSZJDFNNTEL-VIFPVBQESA-N 450.036 3.903 50 10 JHGE C=CC[C@]1(CBr)CCN(C(=O)c2cc(I)ccc2O)C1 2287758953 WAODNHNJSXGECO-OAHLLOKOSA-N 450.114 3.800 50 10 JHGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@H]2CCCO2)c1 2296543426 AKWXOTWKGBPKJQ-HXUWFJFHSA-N 458.518 3.614 50 10 JHGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 2296543646 UPRUEEBLDVLDPJ-UHFFFAOYSA-N 452.898 3.590 50 10 JHGE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)c2nc3ccccc3[nH]2)C1 2296549754 VACBKVNOWBZPAU-GOSISDBHSA-N 482.544 3.723 50 10 JHGE CCCCCCNC(=O)C(C#N)=C1NC(=NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 2296842960 MVXAYEHMGGRYRL-UHFFFAOYSA-N 490.560 3.834 50 10 JHGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C(C)=C(C#N)C1=O 2314618092 HECJIKNNIHKHOR-UHFFFAOYSA-N 483.484 3.686 50 10 JHGE N#Cc1ccc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)cc1Cl 2343411263 DBUXIRONPKXOLK-MRXNPFEDSA-N 457.777 3.860 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370320724 RBVHXTNTQHANLG-WCVJEAGWSA-N 465.369 3.867 50 10 JHGE CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649914 CMGBOOSRDYKLRA-UHFFFAOYSA-N 462.344 3.545 50 10 JHGE CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2cccc(Br)c2)cc1 59385417 ADMVTZTYJDUYOI-DOUQRPAJSA-N 473.396 3.791 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ccc(Br)cn2)C1 169002094 LXRGZSDHQDXRHM-SNVBAGLBSA-N 490.055 3.598 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)cc1 254565979 ASLHZEKYVIQAJC-UHFFFAOYSA-N 495.626 3.835 50 10 JHGE C[C@H](Cl)C[C@@H]1CCCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703966231 DLUAXDNLVMKQEC-IRXDYDNUSA-N 455.020 3.901 50 10 JHGE Cn1c([C@@H](NC(=O)NNC(=O)c2cccc3cccnc23)c2ccccc2)nc2ccccc21 726268500 LCWXOTYNTACHIJ-QHCPKHFHSA-N 450.502 3.855 50 10 JHGE CC(=NNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 1084610520 NAOMQYNSQRBFGB-UHFFFAOYSA-N 466.519 3.639 50 10 JHGE CCCC[C@@H](NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)Nc1ccc(SC#N)cc1 1866925182 WXWUJBVWDNITBD-HXUWFJFHSA-N 464.551 3.776 50 10 JHGE O=S(=O)(C[C@H](Br)c1csc(I)c1)N1CCCCC1 2028943648 ZMIKFANAJRHKQZ-JTQLQIEISA-N 464.188 3.604 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC[C@@H](CBr)C2CCC2)CC1 2107389089 GZDHMAKXKSKINZ-AKJBCIBTSA-N 452.459 3.753 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CCBr)s2)[C@@H](C)CN1Cc1ccccc1 2123240787 APSQZGWUYUBQTH-HOTGVXAUSA-N 457.459 3.969 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CCBr)s2)C1 2123241406 JEGRUILSCCGXFL-INIZCTEOSA-N 457.459 3.828 50 10 JHGE O=S(=O)(C[C@H](Br)c1cc(I)ccc1F)N1CCCCC1 2169666963 CNZZUGMJEGZRLL-LBPRGKRZSA-N 476.149 3.682 50 10 JHGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccn([C@@H]2CCCCO2)n1 2174001901 LMULEXXUYBGEED-SFHVURJKSA-N 456.406 3.947 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1Cl)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179789093 LWCSUCONLDKBNQ-QZTJIDSGSA-N 469.832 3.987 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239891826 FISWBHJCGPVSMM-XPTSAGLGSA-N 467.983 3.838 50 10 JHGE COCCN(C[C@H](C)Br)C(=O)c1ccc(I)c(Cl)c1 2272460854 VICVJCOQWOTZPS-VIFPVBQESA-N 460.537 3.817 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CCC(CBr)(C(F)F)CC1 2274218427 ZOVJUFZQPXAXRK-UHFFFAOYSA-N 452.361 3.806 50 10 JHGE CC[C@@]1(CBr)COCCN1C(=O)c1ccc(Cl)c(I)c1 2283666189 YIJRELMZVRELTD-CQSZACIVSA-N 472.548 3.961 50 10 JHGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)[C@H]([C@H](C)CC)N2C(=O)c3ccccc3C2=O)c1 2314760316 KPRWNTUHSUOFDL-ZHRRBRCNSA-N 460.486 3.773 50 10 JHGE NNC(=O)[C@H]1C[C@H]1CCCOc1c(Br)cc(Br)cc1Br 2362617627 RDGLHEPYHFSKHS-APPZFPTMSA-N 470.987 3.759 50 10 JHGE O=C(NN/C=C1/C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccncc1 38188444 FGRYGOSNTIGYEV-GHRIWEEISA-N 452.392 3.563 50 10 JHGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38654237 MFBUCUOMXCATGA-XMMPIXPASA-N 457.442 3.970 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38654474 DOXDDHUTVBXDIE-HSZRJFAPSA-N 461.405 3.936 50 10 JHGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813030 YPPLPDCKQDGXDV-NHFJDJAPSA-N 460.490 3.939 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)CSCc1ccccc1 59147004 YWKYFASEVMZRMP-SSDVNMTOSA-N 468.495 3.689 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594743 WUASOOHQOGYLFU-OVVQPSECSA-N 482.899 3.926 50 10 JHGE CO[C@]1(CCl)CCN(C(=O)c2ccc(I)c(Br)c2)C1 721616639 UZJFCGCBTFNJHJ-ZDUSSCGKSA-N 458.521 3.524 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCc2ccn(-c3ccccc3)n2)c(-c2ccccc2)n1 725717146 GOWANRDMAMJCML-RELWKKBWSA-N 461.529 3.915 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c(C)n1-c1ccc(F)cc1 918650943 GAOPEJYJDFYBSR-UNOMPAQXSA-N 478.553 3.869 50 10 JHGE C=C[C@H](CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccccc1 1624901064 DXAKWBDAIYYRJQ-HXUWFJFHSA-N 452.518 3.509 50 10 JHGE C=CCC[C@@H](NC(=O)NNC(=O)CNC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 1680856189 XBKGVPXVHCEEGO-OAHLLOKOSA-N 454.474 3.535 50 10 JHGE Cc1c(C(=O)NCc2cccnc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746066 AZLBXVMOJNCCDC-UHFFFAOYSA-N 494.367 3.903 50 10 JHGE Cc1c(C(=O)N2CCOCC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748030 NDILZXGSWQZAIP-UHFFFAOYSA-N 450.322 3.838 50 10 JHGE C[C@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866811384 NSIHLCAAKCSHQO-INIZCTEOSA-N 473.620 3.864 50 10 JHGE COc1ccc([C@H](C(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867014861 ZUJHXFXWPGLTQZ-FCHUYYIVSA-N 453.564 3.658 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCl)CC1CCCCC1 1926785820 JRPQWQHMYYZAGU-KRWDZBQOSA-N 455.020 3.806 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H]3C[C@]3(CBr)C2)cc1Br 2146321532 RCRVQWOMTDGJPI-RNCFNFMXSA-N 488.039 3.926 50 10 JHGE O=S(=O)(c1cc(F)ccc1CBr)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188883694 IEHDZLTXTNNJBB-IEBWSBKVSA-N 453.377 3.616 50 10 JHGE C=C[C@@]1(CCl)COCCN1C(=O)c1ccc(I)c(Br)c1 2199849258 RZOLGNLQLRNTQF-CQSZACIVSA-N 470.532 3.690 50 10 JHGE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2204746214 DGIYUXJVCGGXKJ-OAHLLOKOSA-N 461.422 3.895 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H]2CCO[C@@]2(CBr)C1 2239891825 FISWBHJCGPVSMM-OTYXRUKQSA-N 467.983 3.838 50 10 JHGE O=C(NC[C@@H](Br)CC(F)(F)F)c1c(F)cccc1I 2267670220 QTQQVJKTLJVHHC-LURJTMIESA-N 453.999 3.876 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2283653274 DWXROIAYGUKFTF-BIMULSAOSA-N 470.532 3.712 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(N3CCCCCC3)nc12 2296546093 MDRJGJNHWYABGZ-UHFFFAOYSA-N 455.562 3.649 50 10 JHGE C[C@H]1CCCN(CCOCCI)[C@@H]1CCCNC(=O)OC(C)(C)C 2306802406 OUBOUTIWLDYWLP-JKSUJKDBSA-N 454.393 3.843 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(OC)cc1 2314755190 XMRWSMBADGFVQT-UHFFFAOYSA-N 476.485 3.895 50 10 JHGE C[C@@H](Cl)c1nc2cncc(Br)c2n1-c1c(I)cnn1C 2381856230 HZXMJUKBQJKXEW-ZCFIWIBFSA-N 466.508 3.821 50 10 JHGE Cc1cccc(C)c1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 14644196 HJWIEHJSDGVDBW-CYBMUJFWSA-N 455.736 3.713 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C(C)C 14655636 VSILBCVLMAMAPG-UHFFFAOYSA-N 494.411 3.686 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OC 33882097 CFKGQBOAQVYXPE-GHXNOFRVSA-N 479.230 3.762 50 10 JHGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OCCC)cc1 48572011 FKNZUYDQMALWCE-AFUMVMLFSA-N 476.371 3.907 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 48572940 NKLUXLYZXWRZPU-JVWAILMASA-N 469.501 3.645 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)cc1 58894923 BNCPTESVXOUEAG-ANRZFROFSA-N 492.956 3.653 50 10 JHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2cccc([N+](=O)[O-])c2)cc1OC 252622459 NVUVHHLMCAEFRX-PGILIVPESA-N 488.500 3.923 50 10 JHGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1O 254392532 PAMNNZNDVNHIJG-UHFFFAOYSA-N 474.542 3.732 50 10 JHGE CC[C@@H](CBr)Cn1cnc(I)c1I 379359146 XJXYJYKESGPHLN-LURJTMIESA-N 468.902 3.513 50 10 JHGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cn1 382717387 LIEVKSYGOBGJPA-IRXDYDNUSA-N 452.292 3.877 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 687231946 KEKOUUQYXAEJOI-GASCZTMLSA-N 459.793 3.818 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c(C)n1-c1cccc(Cl)c1 729362525 CMEIYYMYOSZZBI-VOZFUJEASA-N 482.028 3.713 50 10 JHGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-] 1084507699 QPFHGRAIYYEQOQ-UHFFFAOYSA-N 472.910 3.594 50 10 JHGE CC(=O)N(C)c1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 1147742115 YAZHDZKFKOARRK-JCMHNJIXSA-N 452.518 3.670 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(Br)cc(Br)c2)c1 1651317881 VNELONITSIQOCW-UHFFFAOYSA-N 453.159 3.824 50 10 JHGE CC[C@H](Br)CNC(=O)c1ccc(Br)cc1I 1995286169 PRZBNZNKMJFXBP-ZETCQYMHSA-N 460.935 3.957 50 10 JHGE O=C(CCCCBr)N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2044264233 OUWXMNTYULSYSM-SFHVURJKSA-N 453.377 3.628 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC12CCC(Br)CC2 2157501679 FUMYEYWSEFVPRZ-HOKUHMFPSA-N 497.455 3.572 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@H](C)N1C(=O)OCc1ccccc1 2163056440 RTRSUUCXDHSLQJ-ROUUACIJSA-N 450.988 3.888 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC2(CBr)CCC1CC2 2178887515 JJNQZFWTQFEVCM-UHFFFAOYSA-N 450.114 3.777 50 10 JHGE COc1ccc(CBr)cc1S(=O)(=O)N(C)C1CC(OCc2ccccc2)C1 2179858081 JPXLWSILHJJRQR-UHFFFAOYSA-N 454.386 3.958 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H](N2CCN(CCCCCI)CC2)C1 2220213543 DUVRNLBOIFRBOC-KRWDZBQOSA-N 465.420 3.609 50 10 JHGE O=C(NCCCCCI)c1c(F)cccc1I 2247981173 JPWYZGCHZONNEA-UHFFFAOYSA-N 461.056 3.765 50 10 JHGE CC1(C)OCCN(c2ncc(I)cc2Br)[C@H]1CBr 2255964842 SUDRJIXMOSDPBC-JTQLQIEISA-N 489.977 3.827 50 10 JHGE C=CC[C@@]1(CBr)CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2272230375 YMZZITUFFYYJHQ-NRFANRHFSA-N 483.428 3.588 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)[C@H]1CC=CCC1 2364230391 LUJQOPDCPAQNNX-DTWKUNHWSA-N 470.003 3.795 50 10 JHGE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)c(Cl)c1 2369477125 PWBLAZLUPZIHEC-AWEZNQCLSA-N 477.764 3.897 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 9696139 JCCHWISNYFXRJF-ZDUSSCGKSA-N 494.411 3.686 50 10 JHGE COc1cc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc(OC)c1OC 33658975 RUEACILCEOJKJW-DIVXCTPQSA-N 465.531 3.695 50 10 JHGE COC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 40812798 OETKNKHCELFETQ-VOBMZTLLSA-N 462.344 3.586 50 10 JHGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NCc3ccc4c(c3)OCO4)c(C)c21 40813141 YMETYUVUWCQWEF-MTDXEUNCSA-N 475.501 3.726 50 10 JHGE CCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 214430086 QIJAOUHSMSRXJO-ZHZULCJRSA-N 454.523 3.810 50 10 JHGE Cc1nnc(SCC(=O)NN=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)s1 254477978 CGQLJSBOGPAZGL-UHFFFAOYSA-N 474.480 3.698 50 10 JHGE FC(F)(F)Oc1cc(CCl)c(I)nc1I 396176488 BUXYYWWZTAGSHO-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE O=C(NNc1ccc(F)c(F)c1F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 727758487 GNDBLCNBKNKUAI-UHFFFAOYSA-N 467.513 3.527 50 10 JHGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NN=c2cc[nH]c(C)c2)ccc1Cl 1641047761 MZTYBEMARRHJCC-UHFFFAOYSA-N 456.955 3.604 50 10 JHGE O=C(CC1CCCCC1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858958765 ASNZMJAKGRPZAA-UHFFFAOYSA-N 475.523 3.659 50 10 JHGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccn1 1865693567 PCYMIIPUGXJBFV-INIZCTEOSA-N 457.412 3.912 50 10 JHGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)C1 1877586694 BPKWJAOGSLNCGH-NVCLVWNLSA-N 451.427 3.868 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)[C@H](Br)C1CCCC1 1979584347 GHPUEPJOZJGXPS-MRXNPFEDSA-N 492.455 3.818 50 10 JHGE O=S(=O)(NC[C@@H](Br)CBr)c1cc(Cl)c(Br)s1 1981561803 GLNTYALDQYZOMV-BYPYZUCNSA-N 476.437 3.601 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H](F)[C@@H](Br)C1 2026222349 XGNGZCQVNRZUDO-IUCAKERBSA-N 476.909 3.611 50 10 JHGE O=C(COC(=O)C=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NNC(=O)c1cccs1 2040422385 TYKWNVKQLKJNHN-UHFFFAOYSA-N 490.516 3.758 50 10 JHGE O=C(CBr)c1cc(I)c(OC(F)(F)F)cc1[N+](=O)[O-] 2055243008 FPEAXCAAHWBJIW-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE FC1(F)[C@@H]2COC[C@]21[C@H](Br)c1cc(I)cc2c1OCC2 2161773004 BAPRQHYPBVSZQB-RAIGVLPGSA-N 457.052 3.944 50 10 JHGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCBr)cc1 2179784920 FUVFVVJCVCJNSC-UHFFFAOYSA-N 451.430 3.909 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201752015 TWGHCJJURMNQTQ-OTYXRUKQSA-N 467.983 3.980 50 10 JHGE O=C(N[C@H]1CC[C@@H]1CBr)c1ccc(I)c(Br)c1 2213319687 WLQJWYJYVKBRLE-KCJUWKMLSA-N 472.946 3.957 50 10 JHGE COc1ccc(CCNC(=O)C(C#N)=C2N=C(NC(=O)c3ccc(C)cc3)c3ccccc32)cc1 2296532681 FMRMVCQFBSOXCY-UHFFFAOYSA-N 464.525 3.787 50 10 JHGE C[C@@H]1Oc2ccccc2C=C1C=NNC(=O)[C@@H](CC1=CN[C@@H]2C=CC=C[C@H]12)NC(=O)OC(C)(C)C 2297639675 NHFYHSLTEXUUAY-XCYUPCBOSA-N 476.577 3.834 50 10 JHGE COc1ccc(CCN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314620968 XKHBNKMKOIDNLC-UHFFFAOYSA-N 462.502 3.556 50 10 JHGE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325074932 SHZWBUHGBXVHEI-BTYIYWSLSA-N 493.692 3.725 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1Cc1ccc(Cl)c(I)c1 2337219251 QXMYEOQTPJPYDX-NEPJUHHUSA-N 457.581 3.844 50 10 JHGE O=S1(=O)CC[C@@H]([C@H](CBr)Cc2ccc(Cl)cc2I)C1 2341026855 FHLRRCMHGIKOJV-MNOVXSKESA-N 477.589 3.933 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)c1ccccc1 2364214962 ICAGGXYELNRGLE-FQEVSTJZSA-N 493.423 3.899 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2365597180 CZZYQRUWSVMRCG-BIMULSAOSA-N 470.532 3.712 50 10 JHGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=c3\c(=O)c4cccc5cccc3c54)cc2)cc1 3305649 LEMZVBCJHLRPKN-WCTVFOPTSA-N 497.576 3.604 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 14002215 RLNUEFFKVMTLLB-UHFFFAOYSA-N 480.977 3.779 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 14031893 MQIPRBLSYBSDQE-MRXNPFEDSA-N 451.548 3.732 50 10 JHGE N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 15706455 IJTJVRABPJEPAL-DTQAZKPQSA-N 477.524 3.710 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 33570918 NIKLRKPMVBAVBB-BJMRFWQKSA-N 487.335 3.530 50 10 JHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccnc1)CCC2 40814090 FUUHRPVTQSJTSI-OVVQPSECSA-N 460.490 3.517 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814555 XQMNZKUEGSKKOV-OVVQPSECSA-N 490.472 3.877 50 10 JHGE CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c2ccccc21 59166873 ILCREQQHGDJYCR-DUJYPZAOSA-N 462.594 3.724 50 10 JHGE COc1cc(C=NNC(N)=O)c(Br)cc1OCC(=O)Nc1cccc2ccccc12 252637872 XXRSWCVPDHAEIR-UHFFFAOYSA-N 471.311 3.631 50 10 JHGE CCc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 254311630 VRXBGMCSZZCCPL-UHFFFAOYSA-N 451.548 3.603 50 10 JHGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2OC)c1 254411636 MODSVLAPVWICBY-ZBNKSKIISA-N 459.502 3.634 50 10 JHGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(I)o1 254843112 ZCZCVEINFDVMFT-UHFFFAOYSA-N 471.254 3.503 50 10 JHGE N#Cc1cc(I)c(OC[C@@H](CBr)C2CC2)c([N+](=O)[O-])c1 701861289 APPCYNVVLGIQKI-SNVBAGLBSA-N 451.058 3.871 50 10 JHGE C=CCn1c(Cl)c(C=NNC(=O)CCC(C)C)sc1=NS(=O)(=O)c1cccs1 727258812 ILYHPZRLQBPHJZ-UHFFFAOYSA-N 461.034 3.626 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)Oc2cccc(C(=O)NC3CC3)c2)c(-c2ccccc2)n1 917054367 DWCKYYCWROIIAE-XSFVSMFZSA-N 451.486 3.869 50 10 JHGE CC(=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1cccs1 1084554581 GNBDDTVREBHNBL-UHFFFAOYSA-N 479.429 3.896 50 10 JHGE C=C(C)c1cccc(NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1 1563363837 FDYWLQTZAVBAME-UHFFFAOYSA-N 453.506 3.888 50 10 JHGE C=CC[C@@]1(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1586387882 KHMQDLAECABXNK-QRQCRPRQSA-N 451.951 3.601 50 10 JHGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=S)Nc1cccc(C)c1C 1624241781 OMPOXBONMIRMOH-UHFFFAOYSA-N 450.358 3.665 50 10 JHGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)cc1 1772752187 XXLVLOZFTOQITH-UHFFFAOYSA-N 461.474 3.803 50 10 JHGE CCOC(=O)Cc1c(I)ncc(OC(F)(F)F)c1CBr 1848387754 SCZCTQKLGJSHAV-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc([N+](=O)[O-])c(CBr)c1 1912989326 JLTCSKUXWXDLNF-UHFFFAOYSA-N 469.295 3.904 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CCl)CC1CCCCC1 1926785352 HGBPNBQNSVRNNW-SFHVURJKSA-N 455.020 3.950 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)CCC(F)(F)CBr)C1 2123361591 IACZTPJSBDXQTK-HZPDHXFCSA-N 453.393 3.579 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(NS(=O)(=O)c2ccc(CBr)cc2)C1 2162598554 BCXNZXPQCOJPBG-HNAYVOBHSA-N 459.406 3.649 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CC12CCC2 2162602913 RWATXCWJLAEAMJ-HNNXBMFYSA-N 459.406 3.792 50 10 JHGE CN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)S(=O)(=O)N1CCC(Br)CC1 2163053407 NDMXTYMBJSWFJV-UHFFFAOYSA-N 462.410 3.570 50 10 JHGE O=S(=O)(c1sccc1Br)N1CC[C@@](CBr)(C(F)(F)F)C1 2167690433 RRIWTAYWSHZJNN-VIFPVBQESA-N 457.131 3.849 50 10 JHGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NCCCCCI)C1 2211183636 HFJFHWMCOAUKHP-BLOHKPANSA-N 458.406 3.993 50 10 JHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(C)c1 2268649886 GIDMPAKLMIYICJ-QUGAMOGWSA-N 486.377 3.567 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@@H]2OCC[C@]2(CBr)C1 2278863811 ICXMEQWHORFMMB-UFBFGSQYSA-N 474.012 3.899 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2OCC[C@]2(CBr)C1 2296390700 DHQLINGOFUCWNS-OCCSQVGLSA-N 470.532 3.571 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(CCOCCI)C2)C1 2326640425 CSBZTSQEHRSSCC-IAGOWNOFSA-N 466.404 3.797 50 10 JHGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2331236523 BFDZXLATPDCOIV-UHFFFAOYSA-N 456.505 3.798 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@]12CCC[C@]1(CBr)C2 2364016546 ZCJITUGSUJCKEO-CHWSQXEVSA-N 470.003 3.630 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CCC2(CCOCC2)N(C[C@]2(CBr)CC2(F)F)C1 2379985197 PZBBKBAKMYNOTH-RHSMWYFYSA-N 453.368 3.945 50 10 JHGE Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3cc(C)ccc3C)cc2)c1 12490536 QXNPSVYMMOJAAN-CMNXJCJSSA-N 486.572 3.978 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(C)c(I)c2)cc1 13983336 QJESHZNHSRDTSG-CYBMUJFWSA-N 466.319 3.953 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040782 YOLICEQHJYVGNN-UHFFFAOYSA-N 491.569 3.659 50 10 JHGE COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(C(=O)CCCCCCl)CC1 22621011 UGDRBJSEGMPPIW-LJQANCHMSA-N 486.078 3.564 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598899 NMTDSUDCKGGCHN-OVVQPSECSA-N 482.899 3.926 50 10 JHGE CCCCCCOc1ccc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 214436514 WKFNEHMXGPYOJJ-JWGURIENSA-N 498.576 3.826 50 10 JHGE O=C(NN=C/C=C/c1ccccc1[N+](=O)[O-])/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254371658 UEHWUFVKUCOXQV-HKRQKOJWSA-N 484.468 3.910 50 10 JHGE O=C(c1cccc(I)c1)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 709804307 QAJIFLFXOJSSQS-MWLCHTKSSA-N 462.047 3.937 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1cccnc1Cl 729344245 DGIUMHSDWNVJJO-APVMCDBPSA-N 474.908 3.990 50 10 JHGE C=CC[C@H](C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 1463737770 RRJNDVYLXYVQKC-KRWDZBQOSA-N 455.561 3.670 50 10 JHGE C=C(C)Cn1c(SCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccco1 1628357832 GZCHOCPKVASTMD-UHFFFAOYSA-N 453.568 3.965 50 10 JHGE CCOC(=O)Cc1nc(I)c(OC(F)(F)F)cc1CBr 1848387711 PQHPKPDYJPPNON-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693747 YAKFPBJZZZZYRC-OAQYLSRUSA-N 462.506 3.687 50 10 JHGE Cc1cc(C(=O)NC(C)(CBr)CBr)ccc1I 2026130597 JFYLIAGOUQXBMW-UHFFFAOYSA-N 474.962 3.878 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)[C@@H]2COC[C@H]21 2040609341 YWOYTPABFKGYEI-APQOSEDMSA-N 459.985 3.507 50 10 JHGE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1 2044687998 BQSWFZZIJYXNCR-SFHVURJKSA-N 467.385 3.613 50 10 JHGE BrC[C@@H]1CN(c2ncc(I)cc2Br)C2(CC2)CO1 2069533131 YVNUTFLHPYJNQM-SECBINFHSA-N 487.961 3.581 50 10 JHGE O=C(N[C@H]1CCOC[C@H]1CBr)c1cc(Br)c(Br)s1 2072946931 HXLLAIXXYLUKIS-SVRRBLITSA-N 462.001 3.803 50 10 JHGE O=S(=O)(c1ccsc1CBr)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2123283669 JYIYHTFOGKXQRY-IBGZPJMESA-N 455.443 3.930 50 10 JHGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1cc(I)ccc1O 2159049990 RIKKJYZHEMZUIO-GFCCVEGCSA-N 460.056 3.632 50 10 JHGE CN(Cc1cccc(NS(=O)(=O)N2CCC(Br)CC2)c1)C(=O)OC(C)(C)C 2162588345 DZRGIRIBOWHKDE-UHFFFAOYSA-N 462.410 3.570 50 10 JHGE CCC[C@H]1CN(C(=O)c2cc(I)ccc2O)C[C@H]1CBr 2205700949 CUJKYVBFEMAFRG-WDEREUQCSA-N 452.130 3.880 50 10 JHGE C=CC[C@@]1(CBr)CCCN1C(=O)c1ccc(I)c(O)c1 2287752974 HHUIEKZMGLRWAG-HNNXBMFYSA-N 450.114 3.943 50 10 JHGE CC[C@H](Br)CN(CC)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821673 IHEFJTYZEDOYTG-INIZCTEOSA-N 473.433 3.668 50 10 JHGE N#CC(=CNCc1ccc(C(=O)O)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318454972 KCPLUMODMMMNCV-UHFFFAOYSA-N 480.568 3.816 50 10 JHGE Cn1c(=O)n(C)c2cc([C@@H](Br)[C@@H]3C[C@@H]3Br)c(Br)cc21 2332464794 WSZRMLKXGFTYEU-SVERMHFZSA-N 452.972 3.859 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCC[C@@H]1CBr 2338848786 AGRVPEKQFXSWIE-SJORKVTESA-N 485.444 3.574 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2355761214 QSYMVOUWVKAATD-UFGOTCBOSA-N 450.114 3.775 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@]12CCC[C@@]1(CBr)C2 2364016549 ZCJITUGSUJCKEO-QWHCGFSZSA-N 470.003 3.630 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334416 UPQRTGNIDCUKAR-UHFFFAOYSA-N 475.570 3.822 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 13619654 UAXJOZLVPKJPTJ-GUYCJALGSA-N 453.322 3.780 50 10 JHGE CC(C)(C)[C@H]1CCc2nc(SCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c(C#N)cc2C1 20467860 IREYMUPQSUBQRP-KRWDZBQOSA-N 467.551 3.566 50 10 JHGE COc1cccc2c1O[C@H](C)C(/C=C(\C#N)C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)=C2 33514486 LIMHNVVTUIURPL-HDAKKWKLSA-N 456.502 3.746 50 10 JHGE Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1ccc(I)cc1 40782372 IPXBGXMZLIFDPY-UHFFFAOYSA-N 480.697 3.817 50 10 JHGE COc1cc(C(=O)ON=C2C=CC(=NNC(=O)c3ccc(Cl)cc3)C=C2)cc(OC)c1OC 110457920 BJYAZYAOFHJYLC-UHFFFAOYSA-N 469.881 3.791 50 10 JHGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207191568 XTEZEGXUCXSJAY-AFHPDWHOSA-N 476.529 3.869 50 10 JHGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1c(F)cccc1Cl 256028265 BRGGZCAISRGJDU-UHFFFAOYSA-N 481.962 3.743 50 10 JHGE O=C(c1ccc(F)cc1I)N1CCC(F)(F)[C@@H](CBr)C1 403971091 NALCCLMJEHPXLK-QMMMGPOBSA-N 462.047 3.923 50 10 JHGE C=CCc1ccccc1OC[C@H](O)CN[C@]1(C)CC[C@H](C(C)(C)NC(=O)CBr)CC1 575627926 UAXZWLFRPNDCMX-REHUZNOOSA-N 481.475 3.983 50 10 JHGE in-vitro C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 729166602 VDEGEGLGAQYFJU-CQSZACIVSA-N 487.940 3.694 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)c2scnc2C)nnc1-c1ccc(Cl)cc1Cl 729453051 WWPJEEGMVHXNGP-UHFFFAOYSA-N 483.406 3.756 50 10 JHGE Cc1cc(Br)ccc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 1260464622 XQCZCCBHUHYHHT-UHFFFAOYSA-N 485.491 3.942 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)c2cc(C)c(CC)s2)nnc1-c1ccc(F)cc1 1472931093 RXCNEJDUZYGJDP-UHFFFAOYSA-N 459.572 3.756 50 10 JHGE C#C[C@@H](CC)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1568621517 WDEOXZRZFQKDBP-QMJOVRGKSA-N 453.449 3.509 50 10 JHGE CCOc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OC 1860774469 YLLHQJWDVFLSHZ-ZDSZYGSISA-N 468.579 3.701 50 10 JHGE COc1ccc([C@@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866772180 QWSPXNCTJDQMRR-LEWJYISDSA-N 455.580 3.822 50 10 JHGE O=C(NC[C@@]1(CBr)CCCO1)c1cccc(Br)c1Br 1879595649 MKFZZBKHGNBYQY-ZDUSSCGKSA-N 455.972 3.886 50 10 JHGE Cc1cc(C(=O)NC[C@@H](CBr)C(F)(F)F)ccc1I 2142105543 DQMJPMIQWKPOES-SECBINFHSA-N 450.036 3.903 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@]2(CBr)CCC[C@H]12 2165244557 LBDAZIUSQGQGSX-UGKGYDQZSA-N 497.455 3.812 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N[C@@H]2C[P@](C)(=O)C[C@H]2Br)c1Br 2177852690 XYPBDQMEKHDHNW-CXNNERTKSA-N 465.169 3.544 50 10 JHGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2cc(CBr)n(C)c2)C[C@@H](C)N1Cc1ccccc1 2179808378 HQUYMMSAJBQYEP-IXDOHACOSA-N 454.434 3.592 50 10 JHGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2256634949 DJGZIFNVULKNJS-DEOSSOPVSA-N 492.768 3.522 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295315119 HRYXUQGKZIHUBZ-RNCFNFMXSA-N 469.999 3.765 50 10 JHGE Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc(C=C(C#N)C(=O)Nc3cccc4ccccc34)cc12 2297444466 PGSMKOHLTWJLDS-HXUWFJFHSA-N 471.542 3.798 50 10 JHGE Cc1cc(SC#N)ccc1NC(=O)NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 2297511398 HWHQOHCJMCUOSJ-UHFFFAOYSA-N 455.883 3.510 50 10 JHGE Cc1ccccc1OCC(=O)NN=Cc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 2297708109 FLUTZBNGHBXNBU-UHFFFAOYSA-N 478.417 3.560 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC[C@H](CCl)O2)C1 2362004237 NUSHEYFHAVNEBY-SNVBAGLBSA-N 470.532 3.666 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2364206201 QOWYAWYOKCXVJV-NSISKUIASA-N 497.455 3.811 50 10 JHGE CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(SC#N)c1C 9504812 XCTZMQXEIDYKAB-UHFFFAOYSA-N 499.661 3.907 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(C(C)C)cc1Br 12489193 HVZAIZIILOPOGR-UHFFFAOYSA-N 450.289 3.629 50 10 JHGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 12570249 DSEBBXJLQLGOJK-UHFFFAOYSA-N 470.378 3.562 50 10 JHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1cccnc1 14015581 BORXXRLOBUTOAE-UHFFFAOYSA-N 479.128 3.600 50 10 JHGE O=C(CCc1ccccc1)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21 27519981 UWLPPLDYTVBFSU-UHFFFAOYSA-N 451.118 3.617 50 10 JHGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\Nc1ccc(I)cc1C 217230427 KQIVUWPJUJOVDB-BENRWUELSA-N 478.246 3.975 50 10 JHGE C[C@H](Br)C[C@@H]1CCCCCN1C(=O)c1cnn(C)c1I 393692990 HXVQOXVCEAJRCM-QWRGUYRKSA-N 454.150 3.583 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)c(C)n1-c1ccc(F)cc1 731191547 DPHMHOJRHBHYHM-XDHOZWIPSA-N 491.498 3.523 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(Cc3ccsc3)CC2)c(-c2ccccc2)n1 914464327 GSZAABZSCMISDH-PXLXIMEGSA-N 456.575 3.777 50 10 JHGE C=CCOc1ccc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1 916257498 UUMFUSFBBZGVDM-UHFFFAOYSA-N 465.531 3.825 50 10 JHGE CC(=NNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 1083994147 YJPQYCAMSZMASC-UHFFFAOYSA-N 466.519 3.639 50 10 JHGE Cc1cc(C=NNC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 1084343226 NFFIABHCVRFQPL-UHFFFAOYSA-N 456.468 3.922 50 10 JHGE COc1cc(C=NNC(=O)c2cc(Br)ccc2O)cc(Br)c1OC 1084462035 RZGAXGMPDJYFEJ-UHFFFAOYSA-N 458.106 3.698 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NCc1ccccc1 1084533686 YZLNOYOFMPTGKT-UHFFFAOYSA-N 499.354 3.777 50 10 JHGE Cc1cc(C(=O)NNC(=O)/C=C\c2ccc(I)o2)c(C)n1-c1ccccc1 1086838869 FMNJGOHGPUTSNK-LUAWRHEFSA-N 475.286 3.766 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)C(C)(C)C)nc2sc(-c3ccccc3)cc2c1=O 1472967282 DJGRHEIHGYIADF-UHFFFAOYSA-N 456.593 3.597 50 10 JHGE CCCCN1C(=O)C(=NNC(=O)CCNC(=O)c2ccccc2Br)c2cc(C)ccc21 1772720065 ARYAPIJGNYXHFF-UHFFFAOYSA-N 485.382 3.545 50 10 JHGE F[C@H](CBr)C1CN(c2ncc(I)cc2Br)C1 1988530227 CDSCSQBVJDULMQ-SECBINFHSA-N 463.914 3.618 50 10 JHGE Brc1ccc(CN2CCN3C[C@H](Br)C[C@H]3C2)c(Br)c1 2092268736 ZWTHKGVOZKAUMB-OLZOCXBDSA-N 453.016 3.865 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCOC[C@H](CBr)C1 2098208902 VAJUAZPFMLPQHH-SECBINFHSA-N 455.972 3.695 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2106989205 QSQLPJJPXMAIPX-SLTXQBBLSA-N 456.324 3.569 50 10 JHGE Brc1ccc(Br)c(CN2CCN3C[C@H](Br)C[C@@H]3C2)c1 2118520695 XGGDZUUMMDLMFE-CHWSQXEVSA-N 453.016 3.865 50 10 JHGE CN1CCN(C(=O)c2cc(Br)sc2Br)[C@H](CCBr)C1 2138083598 OUJJDBDJLFEROZ-MRVPVSSYSA-N 475.044 3.814 50 10 JHGE CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2163054718 ZUTJWHUWNOLHAV-INIZCTEOSA-N 461.422 3.992 50 10 JHGE C[C@H](CBr)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 2169359216 XOBLMHAGKXOXMJ-SNVBAGLBSA-N 469.015 3.753 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2204090704 SZTHMVRDMXJEKZ-ULQDDVLXSA-N 497.455 3.524 50 10 JHGE COc1ccc([C@@H](Br)c2nn(C)nc2Br)cc1I 2257354425 LMQFQUFSCOWJBI-SECBINFHSA-N 486.933 3.675 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCO[C@@H](CCBr)C1 2268355362 DHALPRJCVINZGM-JTQLQIEISA-N 458.521 3.571 50 10 JHGE COc1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)c1 2295626361 GCIKYPMJAMFORK-UHFFFAOYSA-N 486.553 3.891 50 10 JHGE Cc1nn(C)c(Br)c1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303548377 BWFSWZCXIGEKLN-AWEZNQCLSA-N 459.182 3.591 50 10 JHGE BrC[C@H]1COCCN1Cc1ccc(I)c(Br)c1 2306227445 LDPYNKOVIYOUPD-JTQLQIEISA-N 474.962 3.649 50 10 JHGE COC(=O)[C@@H](Br)COCc1ccc(I)c(Br)c1 2306304300 DCIXAESOBHVGKS-VIFPVBQESA-N 477.918 3.507 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@@H](Br)C(F)(F)C1 2317776221 UIGLFDFFFVNYKM-SECBINFHSA-N 450.448 3.799 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCCC[C@@H]1CBr 2338859047 BETQBIDDPNFGEZ-HTQZYQBOSA-N 457.992 3.629 50 10 JHGE Cl[C@@H](CCc1ccc(I)c(Br)c1)CN1CCOCC1 2349846672 BGTVWYAORMAVQN-LBPRGKRZSA-N 458.565 3.926 50 10 JHGE C[C@]1(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@H]2Br 2380916016 ZGZWICQNQZKSGG-LQLPYNBSSA-N 497.455 3.715 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13976700 LKUCJSAXZOTONO-MRVPVSSYSA-N 491.740 3.658 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1Br 14041439 HYNRBZWKYGNLQR-UHFFFAOYSA-N 456.387 3.639 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)ccc2OCC#N)cc1 58895619 SAIMRJISBGMPNZ-ANRKENSESA-N 460.328 3.714 50 10 JHGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(CC)cc2)nc2c(C)cccn2c1=O 102683032 JAPGBXIPGMMDPC-SILNSSARSA-N 460.534 3.807 50 10 JHGE COc1ccc(C[C@@H](Br)c2cnn(C)c2I)cc1OC 381642566 PFLGEPOIYAXWKV-LLVKDONJSA-N 451.102 3.721 50 10 JHGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccccn1 1084063338 RZQWUQSVDOWZIM-UHFFFAOYSA-N 453.271 3.664 50 10 JHGE COc1c(I)cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 1084423216 MKIULIDOXMFTHU-UHFFFAOYSA-N 493.179 3.991 50 10 JHGE C=CC[C@@]1(C(=O)NNC(=O)c2ccc(Br)s2)CCCN1C(=O)OC(C)(C)C 1538735912 YVNTVJXWCAJGII-SFHVURJKSA-N 458.378 3.617 50 10 JHGE C=C(Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)C(=O)OC 1640411420 ODSWDJBMFUSXJJ-FQEVSTJZSA-N 457.914 3.766 50 10 JHGE C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=NNC(=O)c1ccccc1O 1772718502 DNWYGBKTODNCTN-MJEQIIAOSA-N 458.337 3.958 50 10 JHGE COc1cc(C=NNC(=O)Cc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720469 OZRDLQKJIPLHBT-UHFFFAOYSA-N 478.501 3.633 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712102 PPZBQOQMNQXWKR-KRWDZBQOSA-N 485.378 3.789 50 10 JHGE O=C(c1csc(I)c1)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924241317 JMCKKBMWFNQTMM-GWCFXTLKSA-N 456.143 3.511 50 10 JHGE CC(C)(CCl)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1960075963 XFSOERRBLAGGNP-QHCPKHFHSA-N 480.989 3.860 50 10 JHGE O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC(CI)CC1 2098615694 BGWFLWFTFYGBKC-UHFFFAOYSA-N 478.577 3.938 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2162589003 LXIYKDGRQICEEB-WBVHZDCISA-N 461.422 3.943 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2168746747 LRBHKXMLTOZLSS-HZPDHXFCSA-N 473.820 3.924 50 10 JHGE O=C(NCC1(CBr)CCS(=O)(=O)CC1)c1cscc1OCc1ccccc1 2199821772 VUZWMSJQBKTTHK-UHFFFAOYSA-N 472.426 3.647 50 10 JHGE Cn1nc(Br)c(CC(CBr)(CBr)c2ccccc2)n1 2226995498 VDMZJWPDVZDEHQ-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE CC(CBr)(CBr)NC(=O)c1c(F)cccc1I 2247984055 RZFJTHHOSCCMKJ-UHFFFAOYSA-N 478.925 3.709 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268350163 ZJFXAVYATGDCGU-NXEZZACHSA-N 458.521 3.569 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1 2268644554 BXFUGVODVLNKFL-QLXKLKPCSA-N 486.377 3.567 50 10 JHGE Cc1ccc(B(O)O)cc1NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2269561703 GFIVTZLTRWIOAQ-SANMLTNESA-N 486.377 3.567 50 10 JHGE CC(C)C[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823342 AENMJMRXZFSYID-MRXNPFEDSA-N 473.433 3.572 50 10 JHGE CN(CC(C)(C)CBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827711 UANJTRVQLHQTAM-UHFFFAOYSA-N 473.433 3.526 50 10 JHGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1CCN(c2ccccc2)CC1 2325409408 LWNZNGAMMHACIJ-UHFFFAOYSA-N 472.330 3.768 50 10 JHGE C[C@@H](Cl)C12CCC(CC1)N2S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214128 LJYHYBSRPVNNDV-CSZIGFGKSA-N 453.004 3.797 50 10 JHGE Cc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1I 12492963 BGDPJGIRIVMAKF-UHFFFAOYSA-N 460.271 3.593 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)ccc1Cl 14644852 MLMQAEHMROOACX-UHFFFAOYSA-N 463.987 3.788 50 10 JHGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14664712 YBEWYASAYZRJHO-GFCCVEGCSA-N 470.378 3.884 50 10 JHGE N#CC1=C(N)N(c2ccccc2)/C(=C2/C(=O)NN(c3ccccc3)C2=O)S[C@@H]1c1ccccc1 28617559 ZXEHRBVWEIZCRK-XDMDVORWSA-N 465.538 3.965 50 10 JHGE CCCCN1C(=O)/C(=N/NC(=O)COc2ccccc2Br)c2cc(OC)ccc21 33959373 AWODCKRZJOLFMC-HIXSDJFHSA-N 460.328 3.504 50 10 JHGE O=C(COc1c(Br)cc(F)cc1Br)NNC(=O)Nc1ccccc1 39892031 QAAVIJJBPRLDAE-UHFFFAOYSA-N 461.085 3.582 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ncccc2Br)C1 312711603 QKUFQAHJJMJFQL-SNVBAGLBSA-N 490.055 3.598 50 10 JHGE O=C(CBr)c1cc([N+](=O)[O-])cc(OC(F)(F)F)c1I 575710341 GRDOJPWBDUIZQT-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC(CBr)C1 721577632 KMXAMCRWODVYDU-UHFFFAOYSA-N 458.919 3.521 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3nc(O)[nH]c3c2)c(C)n1-c1ccc(F)cc1 786604906 BZCIWHOOFPSPAU-LICLKQGHSA-N 473.464 3.904 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083971939 OHUSLVZGSNDRCN-UHFFFAOYSA-N 485.949 3.692 50 10 JHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Cl)c2)Cc2ccccc2)cc1 1084019513 JTJRFRUAPMFHKM-UHFFFAOYSA-N 471.966 3.690 50 10 JHGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1CCOc1ccccc1 1084344473 LUCGSHAAXJSYPW-UHFFFAOYSA-N 477.336 3.765 50 10 JHGE C/C(=C/C1CCC(C)CC1)C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1136034110 PNHZHIWTSSBRMA-MNDPQUGUSA-N 458.566 3.922 50 10 JHGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNc2nc3ccc(Cl)cc3s2)CC1 1476422923 DGZUPVNOHYRPDP-UHFFFAOYSA-N 458.975 3.762 50 10 JHGE CCN(CC)[C@@H](C)CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2007006240 COJSRICRSLLJLK-YJBOKZPZSA-N 454.393 3.938 50 10 JHGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1csc(I)c1 2041116557 QTSKSVKZJAQRBN-SNVBAGLBSA-N 450.086 3.988 50 10 JHGE COC[C@](C)(CCCl)NC(=O)c1cc(Br)ccc1I 2101795401 HYIZEZNGRSQZQE-ZDUSSCGKSA-N 460.537 3.818 50 10 JHGE CCn1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1CBr 2179785305 KGCLCDVVYRAZCI-KRWDZBQOSA-N 454.434 3.688 50 10 JHGE CCCn1cc(S(=O)(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cc1CBr 2179858090 JURBBBGHYXYQSV-GOSISDBHSA-N 454.434 3.688 50 10 JHGE Cc1ccc(B(O)O)cc1NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2269561702 GFIVTZLTRWIOAQ-AREMUKBSSA-N 486.377 3.567 50 10 JHGE O=C(NC[C@@H]1CC[C@@H](CCl)CO1)c1cc(I)ccc1Br 2279407095 KNIDFMJFSBDRCM-ONGXEEELSA-N 472.548 3.818 50 10 JHGE CC(C)[C@H]1CN(S(=O)(=O)c2cncc(CBr)c2)CCN1Cc1ccccc1 2283318928 CQWFOCOUGJIWNS-HXUWFJFHSA-N 452.418 3.508 50 10 JHGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OC)c(OC)c2)c(OC)c1 2314738141 JNXSATLLVVOWMF-UHFFFAOYSA-N 450.491 3.764 50 10 JHGE CC[C@@H](C)N(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827748 UMWCOAVOLCIDNJ-MRXNPFEDSA-N 473.433 3.668 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325904131 HDSXOMCTSIVOED-INIZCTEOSA-N 451.596 3.579 50 10 JHGE CC[C@@H](Br)CN(C(=O)c1c(Br)c(Br)nn1C)C1CC1 2338684723 RBGNIWKJRUIATG-SSDOTTSWSA-N 457.992 3.723 50 10 JHGE C[C@H]1C[C@H](CBr)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338842900 NSXUOXMFJUBKRG-DLBZAZTESA-N 485.444 3.526 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2[C@@H](Cl)CCC[C@H]2C1 2364217192 UMIGRZVDAUYFHX-DBVUQKKJSA-N 453.004 3.512 50 10 JHGE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2369431915 XQPHSVOYHAOXEJ-INIZCTEOSA-N 457.346 3.552 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CCC2(CCOCC2)N(C[C@@]2(CBr)CC2(F)F)C1 2379985194 PZBBKBAKMYNOTH-PBHICJAKSA-N 453.368 3.945 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(C)C[C@H]2CC[C@H]1C[C@@H]2Br 2380913978 FSIIASIKNBEGEI-ORENWSFKSA-N 497.455 3.570 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1C 13992774 YFYWQOIIOKNIAC-UHFFFAOYSA-N 457.324 3.824 50 10 JHGE Cc1ccc(C)c(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1 14008761 OSHOZRBKSIOQKM-ZDUSSCGKSA-N 455.736 3.713 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14665960 NKKFJAHMAVUJKW-KRWDZBQOSA-N 456.539 3.545 50 10 JHGE COc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38608875 URVAEJXTEDJUNS-LPYMAVHISA-N 474.513 3.738 50 10 JHGE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C3CC3)c2C)CC1 98001868 QRAGGOIIHWWCBU-HAHDFKILSA-N 459.594 3.747 50 10 JHGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206410913 KNGUGOHDWTTXOV-UYRXBGFRSA-N 476.485 3.895 50 10 JHGE Cc1cc(S(=O)(=O)N[C@H](CI)C(C)C)sc1Br 232722500 ZYRZSXZBIMTQDY-MRVPVSSYSA-N 452.177 3.557 50 10 JHGE O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1)NNC(=O)C1CCC1 253561514 CDYGUYQBPIPFCN-UHFFFAOYSA-N 465.623 3.775 50 10 JHGE COc1ccc(C(=O)Nc2ccc(C(C)=NNC(=O)c3c(Br)c(C)nn3C)cc2)cc1 254518818 QEOKUCHZTLHRTG-UHFFFAOYSA-N 484.354 3.906 50 10 JHGE C[C@@H](Br)Cc1cn(-c2ccc(I)cc2Br)nn1 709378283 XUFUOOXKOBAPKM-SSDOTTSWSA-N 470.934 3.960 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c(-c2ccccc2)n1 918587543 BXRYOVSYACMNHF-NKFKGCMQSA-N 470.577 3.622 50 10 JHGE COc1ccc(C(=O)NN=Cc2cc(OC)c(OC)cc2Cl)cc1I 1083910255 AIAKCSBFUYQHOA-UHFFFAOYSA-N 474.682 3.734 50 10 JHGE CCOC(=O)[C@@H](CC)C(C)=NNC(=O)COc1ccc(Br)cc1Br 1084155399 DIOKSLYDGRKKPN-LBPRGKRZSA-N 464.154 3.672 50 10 JHGE COc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1084615497 WSGUPVHEINTSOG-UHFFFAOYSA-N 463.490 3.737 50 10 JHGE CC(C)n1nc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c2ccccc2c1=O 1086999936 OXYSEDPVTPVPHD-DLBZAZTESA-N 458.440 3.561 50 10 JHGE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 1260505548 GRYIBRPKPXZWLK-DNVCBOLYSA-N 459.406 3.649 50 10 JHGE C=CCOc1ccc(CN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)C(C)(C)C)cc1 1657742620 TURODHNCSBJJKX-UHFFFAOYSA-N 459.974 3.975 50 10 JHGE CCOC(=O)c1nc(CBr)c(OC(F)(F)F)cc1I 1848387499 AEQKPYIUYLDRED-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CCCC[C@H](NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866890541 DEXNYDGNJHYCRK-SFHVURJKSA-N 475.592 3.599 50 10 JHGE C[C@@H]1[C@@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C2CCN1CC2 2077344806 YECBCHAGDAFFSY-OGWOLHLISA-N 464.388 3.690 50 10 JHGE C[C@@](CI)(OCCO[C@H]1CCOC1)c1ccccc1Br 2143660498 MVDHULAYVUTYEY-WFASDCNBSA-N 455.130 3.921 50 10 JHGE CCN1CCC[C@H]([C@@H](Br)c2ccc(F)cc2I)S1(=O)=O 2145758583 JJKZJIZQTWZALZ-OLZOCXBDSA-N 476.149 3.680 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2164657517 XLCDHLWHHDTMSU-XHVZSJERSA-N 450.114 3.775 50 10 JHGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1 2179788097 XVDXUQPELGGYQZ-UHFFFAOYSA-N 452.349 3.786 50 10 JHGE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2204727288 GIBZHKBHDKAJAH-MRXNPFEDSA-N 461.422 3.895 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCI)CC[C@H]1C(F)(F)F 2243590454 DZEFBMUBICYCGS-VXGBXAGGSA-N 450.283 3.979 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)c1nc(CBr)cs1 2316892647 PGCIMAZPMHTGPT-UHFFFAOYSA-N 459.005 3.933 50 10 JHGE C=CC[C@H](Br)[C@H]1CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338845975 VWMPPQKZZJSJOR-RBUKOAKNSA-N 483.428 3.587 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC2(CC[C@@H](CBr)O2)C1 2361880503 XLTDOXUJYAYZTH-JTQLQIEISA-N 470.532 3.713 50 10 JHGE CC(C)(C)[C@@H]1[C@H](Cl)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213617 HYVAXCUSYUQGQS-MOPGFXCFSA-N 455.020 3.901 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCc1cccc(CBr)c1 2364216408 NXLQUNDCAZMQEM-UHFFFAOYSA-N 493.423 3.858 50 10 JHGE CC1(C)[C@H](CBr)OCCN1C(=O)c1ccc(Cl)cc1I 2365596369 USIPUJKSZYGXDD-LBPRGKRZSA-N 472.548 3.959 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 12573741 RLSDEQVXVCYNLY-UHFFFAOYSA-N 454.596 3.655 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 13619664 JWPGKIDFVOTIRF-QHCPKHFHSA-N 473.529 3.880 50 10 JHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14651226 FYZLILUTYSRDJE-UHFFFAOYSA-N 494.411 3.832 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(F)cc1 38652705 DWSQBXDYTZOASJ-HSZRJFAPSA-N 461.405 3.936 50 10 JHGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC 40867375 OAUIURIHQSNJHM-NBVRZTHBSA-N 478.530 3.835 50 10 JHGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)c1C 109764914 NWGMXMURGSYNDC-HNNXBMFYSA-N 498.381 3.753 50 10 JHGE COc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1OS(=O)(=O)c1ccccc1 252630517 VBFJUCRXCUTWDA-UHFFFAOYSA-N 489.347 3.989 50 10 JHGE COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 254478841 DYELDSWCDGEJIO-UHFFFAOYSA-N 464.474 3.704 50 10 JHGE Cn1ncc([C@@H](Cl)c2cc3c(cc2Br)NC(=O)C3)c1I 379211899 NQXFQHDBAPRKIE-LBPRGKRZSA-N 466.504 3.610 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)c1ccccc1 714548743 PRIRRJNYHCIIJK-UHFFFAOYSA-N 479.396 3.540 50 10 JHGE O=C(CC(=O)NC1CCCCC1)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 725407400 MREKGDCEPAPFRT-UHFFFAOYSA-N 470.957 3.647 50 10 JHGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)COc1ccc(Br)cc1)O[C@@H](C)C2 730468620 CCSSNDGGZVASMX-IXDGSTSKSA-N 489.366 3.501 50 10 JHGE O=C(NN=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc(Br)cc1 1081098273 QGBUYXCLVLFDDW-UHFFFAOYSA-N 459.321 3.981 50 10 JHGE C/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(Br)cc1 1084351070 XONXJGRYDPAOCE-SREVYHEPSA-N 451.136 3.989 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(CCN3CCCCC3)cc2)cc1 1310172948 WREONFVXQIKUAD-LJQANCHMSA-N 452.555 3.538 50 10 JHGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1)C1CC1 1310327042 DHRWXOLNOCTFLH-UHFFFAOYSA-N 452.555 3.727 50 10 JHGE COc1ccccc1NCCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(SC#N)cc1 1866891300 KZDGLWYUSQOOPA-IBGZPJMESA-N 458.609 3.947 50 10 JHGE Cc1nc(I)c(I)n1-c1nc(CCl)cs1 1928098345 MGKMZJFYPRNMHQ-UHFFFAOYSA-N 465.485 3.585 50 10 JHGE CCN(CC)[C@H](C)CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2007006239 COJSRICRSLLJLK-QAPCUYQASA-N 454.393 3.938 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)c2csc(Br)c2Br)C1 2032953296 GVRXZLLXZYAIHW-NSHDSACASA-N 462.001 3.899 50 10 JHGE Cc1ccc(N2C(=O)C(=CNNC(=O)CSc3nc(C)cc(C)n3)c3ccccc3C2=O)c(C)c1 2042445407 NAOQCPZBAQBLOW-UHFFFAOYSA-N 487.585 3.651 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)c1cc(Br)ccc1Br 2112714348 WNACXBXWZCZACF-CYBMUJFWSA-N 455.972 3.838 50 10 JHGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CBr)n(C)c1 2179808896 NQYHKFFGLXXHET-GOSISDBHSA-N 454.434 3.594 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179825246 FIQRBHNPUVCLOZ-DOIPELPJSA-N 455.462 3.866 50 10 JHGE O=S(=O)([C@H]1CC[C@H](CBr)C1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179827738 IPWZQFVQTFFFSP-ROUUACIJSA-N 465.404 3.723 50 10 JHGE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1csc(N(C)C[C@H]2C[C@H]2Br)n1 2198791034 ZSJJUEDDBWLGTB-UPJWGTAASA-N 462.410 3.882 50 10 JHGE C=CC[C@]1(CCl)CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2287757788 KCDCUBBGQQOJCM-JOCHJYFZSA-N 453.004 3.822 50 10 JHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(OC)c2)c(OC)c1 2293968647 RXGSLNRBYGNCIZ-UHFFFAOYSA-N 489.528 3.642 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCCCC[C@@H]1CBr 2338691971 YFEZSKWCLZJZRH-MRVPVSSYSA-N 457.992 3.725 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC2(CCC2)C[C@@H]1CBr 2364230064 HSSPGYSGSZDBTG-MRVPVSSYSA-N 470.003 3.725 50 10 JHGE COC[C@]1(CBr)C=CCN1C(=O)c1cc(Cl)ccc1I 2379849713 NHJGFZZRVIBENH-CQSZACIVSA-N 470.532 3.737 50 10 JHGE O=C(CCCBr)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 11856022 YCXTYVOLBSUUFH-UHFFFAOYSA-N 462.373 3.677 50 10 JHGE C=CCOc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 14644464 TYDPPJZXSLXVJG-GFCCVEGCSA-N 453.720 3.896 50 10 JHGE CC(C)c1ccc(Oc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40611055 SPCGBWJWKSMNEK-UHFFFAOYSA-N 452.427 3.895 50 10 JHGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCCCC3)nc3c(C)cccn3c2=O)cc1 102993590 OXVHQFCFQPRGPO-MNDPQUGUSA-N 457.534 3.938 50 10 JHGE CN(C)c1ccc(C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(N(C)C)cc2)cc1 245283701 OIPVQVHDHBYOKK-UHFFFAOYSA-N 464.614 3.760 50 10 JHGE CCOc1cc(C=NNC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1 254514263 SNEIZYVHGCETMH-UHFFFAOYSA-N 477.473 3.994 50 10 JHGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3C)cc2)cc(OC)c1OC 254707609 BPMMZZGZXOPXPK-UHFFFAOYSA-N 478.501 3.769 50 10 JHGE C[C@@H](Br)C[C@H]1CCCCCN1C(=O)c1cnn(C)c1I 393692984 HXVQOXVCEAJRCM-GHMZBOCLSA-N 454.150 3.583 50 10 JHGE FC(F)(F)Oc1nc(I)cc(I)c1CCl 396187379 XHWBXLQHSMMMSN-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCS[C@H](CBr)C1 720046582 SCYWBJUQQSGCAT-SECBINFHSA-N 494.068 3.713 50 10 JHGE O=C(CCCCCO)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084154046 ZVAVEBAXOUGMRW-UHFFFAOYSA-N 462.319 3.508 50 10 JHGE C[C@@H](Sc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1)C(=O)NNC(=O)C1CCC1 1084221552 MCNLWXAXOWQBKR-OAHLLOKOSA-N 487.589 3.985 50 10 JHGE CC(C)n1nc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c2ccccc2c1=O 1086999939 OXYSEDPVTPVPHD-SJORKVTESA-N 458.440 3.561 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)Nc1cc(OC)ccc1Cl)c1ccc(Br)cc1 1686919428 FWIVLBOVXPLUBA-HNNXBMFYSA-N 451.708 3.821 50 10 JHGE CCOC(=O)c1c(NC(=O)CBr)sc(C(=O)OCCc2ccccc2)c1C 1866000319 DUTSSUKXIXCTOM-UHFFFAOYSA-N 454.342 3.966 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2F)cc1OC 1866130219 IBIMSALIOLIQLV-KPKJPENVSA-N 452.223 3.993 50 10 JHGE CCCOc1c(OC)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OC 1873795072 QLORDUDVFXEGRA-ZZQPOVDQSA-N 451.564 3.882 50 10 JHGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)C(C)(C)CCCl 1900359842 IEFIICKVQVBHDT-UHFFFAOYSA-N 450.020 3.956 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC=C[C@H](Br)C1 2000851527 MFQGTNPLFMVTRG-VIFPVBQESA-N 470.930 3.829 50 10 JHGE O=S(=O)(N[C@@H]1CC[C@H](Br)C1)c1cc(Br)ccc1Br 2057793021 OCGKDAOGYQGBLQ-IONNQARKSA-N 462.001 3.806 50 10 JHGE O=C(CBr)c1cc(S)c(I)cc1I 2060150220 VPLVPUATYCULNQ-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE C[C@H]1CCC[C@](CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089708385 ZBRHZOWVUFYSDH-KKSFZXQISA-N 485.444 3.716 50 10 JHGE O=C(NC1(CBr)CCOCC1)c1c(Br)cccc1Br 2094088749 OSONIDTUBBLJOZ-UHFFFAOYSA-N 455.972 3.886 50 10 JHGE CC(F)(F)C[C@H](CBr)NC(=O)c1cc(I)ccc1F 2113358985 WXTJCURUXVXUKX-MRVPVSSYSA-N 450.036 3.969 50 10 JHGE O=C(c1cc(I)sn1)N1CCC[C@]2(CBr)CCC[C@@H]12 2120030148 BDGSUEMALNPXIE-MFKMUULPSA-N 455.159 3.918 50 10 JHGE CCCn1ncc(NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1=O 2125301668 IQZBAOGPJHCLKQ-UHFFFAOYSA-N 467.455 3.734 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CC2(CC2)C1 2162588350 FAUXSJXRQGZSOZ-HNNXBMFYSA-N 459.406 3.649 50 10 JHGE O=S(=O)(c1ccc(OCCBr)cc1)N1CC[C@@H](COCc2ccccc2)C1 2179859159 ZDVZNHLTVSDINA-GOSISDBHSA-N 454.386 3.688 50 10 JHGE C[C@H](Cl)C[C@@H]1COCCN1C(=O)c1cc(Br)ccc1I 2185319285 PNZOGFQGYBIFTR-GXSJLCMTSA-N 472.548 3.912 50 10 JHGE COCCO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(I)ccc1Cl 2272638781 ITLPDPBTDPHEHX-OASPWFOLSA-N 461.521 3.891 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C[C@H]2CCCC[C@H]21 2279524643 OOCWTLZVWVACMU-GPMSIDNRSA-N 453.004 3.511 50 10 JHGE O=C(c1c(F)cccc1I)N1CC[C@H](C(F)(F)CBr)C1 2282766376 LSGJQMFTBBDQAZ-QMMMGPOBSA-N 462.047 3.923 50 10 JHGE CCOc1cc(C=CC(=O)NNC(N)=S)cc(Br)c1OCc1ccccc1Cl 2294609976 OWDZCAKRSPGNOY-UHFFFAOYSA-N 484.803 3.958 50 10 JHGE N#CCOc1ccc(Br)cc1C=C(C#N)C(=O)N1CCN(c2ccccc2)CC1 2313567498 KKRQDKNRWFPGMF-UHFFFAOYSA-N 451.324 3.607 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2313617079 BTDKTNYXYLXWDY-UHFFFAOYSA-N 461.543 3.720 50 10 JHGE CCOc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314621145 ZPPHJKSRMCJKDL-UHFFFAOYSA-N 498.576 3.682 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)c1cccs1 2338863926 PTWSUKCBMVWTCU-ZCFIWIBFSA-N 472.000 3.873 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779660 LOFYHASYTWTXRJ-UHFFFAOYSA-N 489.153 3.944 50 10 JHGE O=C(Cc1cn2ccsc2n1)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 17443508 QDTPFNJZWNGKIQ-UHFFFAOYSA-N 462.560 3.568 50 10 JHGE COC(=O)c1ccc([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 26642311 QFGBLJUIGBHRAS-ZEQRLZLVSA-N 493.523 3.535 50 10 JHGE CC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40649690 YGBWZPKUDPUERN-UHFFFAOYSA-N 471.271 3.850 50 10 JHGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(F)cc3)c2[N+](=O)[O-])cc1 40649901 MJMHEVIDKIBHHF-UHFFFAOYSA-N 468.445 3.837 50 10 JHGE CC1(C)CC(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)CC(C)(C)N1 40760842 JJUFTRCNGNMNBY-UHFFFAOYSA-N 482.416 3.609 50 10 JHGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3)c(C)c21 101600895 ZYEZZVRPFQBBAN-OVVQPSECSA-N 494.935 3.795 50 10 JHGE O=S(=O)(NCCCCCCI)c1ccc(Br)s1 232475731 DNMNZOGDPUOONT-UHFFFAOYSA-N 452.177 3.784 50 10 JHGE O=S(=O)(NCCCCI)c1cc(Cl)c(Br)s1 236054145 MXIAZZMOPZKHLP-UHFFFAOYSA-N 458.568 3.658 50 10 JHGE CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(-c2ccccc2)cc1 254412186 LBJZLYIJXIMKCJ-UHFFFAOYSA-N 490.629 3.509 50 10 JHGE Brc1ccc(I)c([C@@H]2CNC[C@H]2CI)c1 396777613 CTNUEOYJTJCCDM-GMSGAONNSA-N 491.936 3.792 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 746183207 YNDNINSJCLSDSL-NSHDSACASA-N 459.252 3.676 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)C(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O 1188540117 VMUFAUWVCMRZQG-UHFFFAOYSA-N 456.593 3.515 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c1 1558199983 POWSJFPPVFQTHX-UHFFFAOYSA-N 450.564 3.593 50 10 JHGE CC(=O)N[C@@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(Br)c1 1623408460 AERVADLNVOLBDB-MRXNPFEDSA-N 455.234 3.660 50 10 JHGE CCOC(=O)Cc1cnc(I)c(OC(F)(F)F)c1CBr 1848387570 FKHREZXLLSEFHV-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2nc(Cl)cs2)C1 1888441745 CESVXMMBCBMFIO-MRVPVSSYSA-N 451.633 3.550 50 10 JHGE CC[C@@H](C)[C@H](CI)NC(=O)c1cccc(I)c1 2023038752 ZPKINIZGNXRYNX-SKDRFNHKSA-N 457.093 3.871 50 10 JHGE O=C(NN=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 2053509004 KWTIFJSDAZXSLG-UHFFFAOYSA-N 453.462 3.726 50 10 JHGE COC(=O)Cc1c(I)ccc(CBr)c1OC(F)(F)F 2055371428 YIPHXUMQXMPSGG-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CCBr)C1CCCCC1 2089706877 HIORTFZQAGHPJO-IBGZPJMESA-N 485.444 3.716 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCO[C@@H](CCBr)C1 2116237937 ILMDJWNFSOWZRW-JTQLQIEISA-N 455.972 3.838 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc(Br)c2)C[C@@H]1Br 2130822379 LVXHSGUDZLTCSO-SDDRHHMPSA-N 455.972 3.882 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)ccc1Br 2178908082 UXYOVCSAYAKBCF-GHMZBOCLSA-N 469.015 3.751 50 10 JHGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CBr)ccn1 2179815829 GTLMECUHBSRPQV-GOSISDBHSA-N 452.418 3.650 50 10 JHGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N1CCCN(Cc2ccccc2)CC1 2179861872 NTOUXUYOPFEBKK-UHFFFAOYSA-N 452.418 3.615 50 10 JHGE Cc1cccc(C(=O)N2CCOC[C@H]2C[C@H](C)Br)c1I 2185320994 ZRTOSZHUMFVHIR-NWDGAFQWSA-N 452.130 3.614 50 10 JHGE O=C(N[C@H](CCl)C[C@H]1CCOC1)c1cc(I)ccc1Br 2195506509 SXOPBSGITCQKDC-KOLCDFICSA-N 472.548 3.818 50 10 JHGE Cc1cc(C(=O)NC[C@]2(CBr)CCCOC2)ccc1I 2207106386 XQQJZUXLOGJOQL-OAHLLOKOSA-N 452.130 3.521 50 10 JHGE C[C@H](Cl)COCc1cn(-c2cc(I)ccc2Br)nn1 2278387986 YIKVAYWZPFEQPQ-QMMMGPOBSA-N 456.509 3.778 50 10 JHGE COC[C@@](C)(CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2295309308 HUUBZETZZITKGM-AWEZNQCLSA-N 472.015 3.918 50 10 JHGE CC[C@@H](NC(=O)OC(C)(C)C)[C@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306145171 BYWNIVHQPQZADR-VLIAUNLRSA-N 481.681 3.629 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(C(=O)OC(C)(C)C)CC1 2325312916 UBZUMYBUFMHHHV-UHFFFAOYSA-N 456.543 3.542 50 10 JHGE C[C@@H]1CCCN(C(=O)c2c(Br)c(Br)nn2C)[C@H]1CBr 2338672498 GARHIXBXMFHIKW-SFYZADRCSA-N 457.992 3.581 50 10 JHGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(/C)c3ccc(-n4ccnc4)cc3)c2)cc1 8671276 UAUNINAKZZRXOT-IMRQLAEWSA-N 489.557 3.836 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)c(C)c1 10510598 FKMVQLRSMMSMTO-UHFFFAOYSA-N 477.586 3.639 50 10 JHGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14028062 LXDLEPROWJWHFO-DTQAZKPQSA-N 461.543 3.623 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)c(O)c1 254295785 DZKVEZWRWNQBSE-UHFFFAOYSA-N 482.610 3.768 50 10 JHGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1O 254594857 WIWICRCPACCHEG-UHFFFAOYSA-N 481.574 3.753 50 10 JHGE CCc1ccc(NC(=O)C(=O)NN=Cc2ccccc2OCc2ccc(C(=O)OC)cc2)cc1 254893664 BKHRANLQJIVFMW-UHFFFAOYSA-N 459.502 3.703 50 10 JHGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)CNc1cccc2ccccc12 1084272704 QTZPJBKULULEPO-UHFFFAOYSA-N 468.561 3.733 50 10 JHGE CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)CC12CCCCC2 1153568230 FEHPYOUVOAHKGW-BCGDRIGESA-N 452.599 3.585 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)c1 1651317452 MQTOJEKAFLIUKX-SXLOBPIMSA-N 456.612 3.801 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC=C[C@@H]1CBr 2007527484 VTAHZGFTJLOUAN-SECBINFHSA-N 470.930 3.829 50 10 JHGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CC(OCc2ccccc2)C1 2009709210 QJLQHEFAECWYGP-UHFFFAOYSA-N 475.202 3.934 50 10 JHGE Cc1cc(CCl)c(-n2cnc(I)c2I)nc1C 2013404377 ZEKCGKXMXOEMIY-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE Brc1cnc(N2C[C@H](Br)C3(CCOCC3)C2)c(Br)c1 2117744692 CDISJHYZRUEQDJ-NSHDSACASA-N 454.988 3.987 50 10 JHGE O=S(=O)(c1ccsc1CBr)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2123285998 HRWQPAQRSBUWDK-IRXDYDNUSA-N 455.443 3.786 50 10 JHGE O=C([C@H](Br)C1CCCC1)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2167034340 RMKYCRMKNGTYGH-HBNTYKKESA-N 453.221 3.541 50 10 JHGE O=S(=O)(c1occc1CBr)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179825578 INRPVRHWVBJSCE-HKUYNNGSSA-N 453.402 3.707 50 10 JHGE CC(C)(C)OC(=O)N1CCN(CCCBr)CCN(C(=O)OC(C)(C)C)CC1 2209283265 IIEKAKDTMUXPCS-UHFFFAOYSA-N 450.418 3.561 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(I)c(N)c1 2264039224 DVEIXRDFKVNFOS-UHFFFAOYSA-N 497.424 3.509 50 10 JHGE COC(=O)c1c(NC(=O)C(C#N)=Cc2c(C)[nH]c3ccccc23)sc(C(=O)N(C)C)c1C 2295343738 JXMYQRIBUHGOOB-UHFFFAOYSA-N 450.520 3.880 50 10 JHGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc2ccccc2oc1=O 2314751280 ZJSBDNDIXWUMSY-UHFFFAOYSA-N 470.437 3.837 50 10 JHGE N#CC(=CNC[C@@H]1COc2ccccc2O1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609735 VQNPIEJSPFCNRW-AREMUKBSSA-N 494.595 3.757 50 10 JHGE C[C@H]1C[C@H](Br)CCN(C(=O)c2c(Br)c(Br)nn2C)C1 2338680386 BZXIIUSDLGVUPU-JGVFFNPUSA-N 457.992 3.581 50 10 JHGE C[C@@H]1C[C@@H](CBr)CCN1C(=O)c1c(Br)c(Br)nn1C 2338687536 ZIQUGPRACYCEPH-SFYZADRCSA-N 457.992 3.581 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCO[C@@H](CCBr)C1 2340053305 YURMJAHJCBSCGC-JTQLQIEISA-N 458.521 3.571 50 10 JHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 10154186 BBQFMEBFUSGIAW-SFHVURJKSA-N 457.596 3.975 50 10 JHGE CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 59332958 PJKIPFMULXUIKQ-XMHGGMMESA-N 498.377 3.647 50 10 JHGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\Nc1cc(C(=O)OC)ccc1C(=O)OC 217185481 SUOJXBAGIOFIAE-VVZNPABPSA-N 465.506 3.664 50 10 JHGE O=C(CNc1ccc2c(c1)OCO2)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 254509043 IUELVXBHUGDVDV-UHFFFAOYSA-N 479.405 3.586 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(OC)c3)nnc2-c2ccccc2)cc1 254696019 DXTLGTDHGWGLIA-UHFFFAOYSA-N 489.557 3.900 50 10 JHGE BrCCc1cn(-c2ccc(Br)c(I)c2)nn1 300888525 CDIHBZLLCJLYIR-UHFFFAOYSA-N 456.907 3.572 50 10 JHGE C[C@@H]1[C@H](CI)[C@@H](I)CN1C(=O)OCc1ccccc1 306899787 KQMMOIPNKCQRTM-WXHSDQCUSA-N 485.103 3.882 50 10 JHGE C[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H](CBr)O1 705407406 BSAYMNKURWBGHA-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE CCN(CC)C(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 854206750 FXJJCHBHEUPRMK-CQUHBBLWSA-N 453.930 3.824 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCNC(=O)c1cc(F)ccc1Br 916374588 PGUWERODQNZYSG-UHFFFAOYSA-N 451.248 3.950 50 10 JHGE O=C(NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cc(Cl)ccc1O 1083987327 UZCFHILWNLOVOE-UHFFFAOYSA-N 450.838 3.635 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC#N 1084024384 QOVHWFZUZBAEBK-QGOAFFKASA-N 481.350 3.616 50 10 JHGE Cc1ccccc1N(CC(=O)NN=Cc1cccc(OC2CSC2)c1)S(=O)(=O)c1ccccc1 1084478506 IILPICBDBKPGQZ-UHFFFAOYSA-N 495.626 3.835 50 10 JHGE C=CCn1c(S)nc2cc(C(=O)NNc3ccc(Br)cc3CC)ccc2c1=O 1566823555 YSIZJQDNARSVCQ-UHFFFAOYSA-N 459.369 3.953 50 10 JHGE Nc1cc([N+](=O)[O-])ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 1614643726 YSNIFDLPSGDHDF-PBHICJAKSA-N 481.290 3.964 50 10 JHGE C#CCn1ccc(CN(CCOC)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)n1 1639992277 TXHFWQJWVHPPGP-JJIBRWJFSA-N 455.562 3.814 50 10 JHGE O=C(CCCSc1ccccc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1865852057 OKHXABLPNCAUIE-UHFFFAOYSA-N 478.599 3.845 50 10 JHGE O=C(c1sccc1I)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924243384 WJFVCJLYXUHYKU-ZANVPECISA-N 456.143 3.511 50 10 JHGE O=C(N[C@H](CCl)C[C@H]1CCCO1)c1cc(I)ccc1Br 1926748249 HGARANHOSHEIFM-WDEREUQCSA-N 472.548 3.960 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CCOC[C@H](CBr)C1 2036957604 JBGBECXXBYVEFJ-SSDOTTSWSA-N 462.001 3.757 50 10 JHGE CCOC(=O)c1cc(CCl)c(I)cc1I 2055331312 MVOQUVBFDBRZEK-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE CN1CCC[C@@H]([C@@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2089532322 RBSDHEGMOFPTKS-RYUDHWBXSA-N 478.577 3.805 50 10 JHGE Cc1cccc(C(=O)NC[C@H](CBr)C(F)(F)F)c1I 2105268059 CRWXFIDPDRGYAV-QMMMGPOBSA-N 450.036 3.903 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@H](OCCCl)C1 2142284488 DBGNUISXOGAVDZ-JTQLQIEISA-N 458.521 3.524 50 10 JHGE O=S(=O)(C[C@@H](Br)c1cccc(F)c1I)N1CCCCC1 2145643850 ZFAGSXXTFKNTIO-LLVKDONJSA-N 476.149 3.682 50 10 JHGE C[C@H](Cl)C[C@H]1CCCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2164503270 UHODJQKMCXUSLO-GCKMJXCFSA-N 458.983 3.603 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](F)[C@@H](CBr)C2)cc1Br 2177127565 DXBPUGZKZXAELM-GZMMTYOYSA-N 494.018 3.874 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179818577 BFQUIADETHKHOR-MSOLQXFVSA-N 469.470 3.828 50 10 JHGE Cc1ccc(C(=O)N2CCC(OCCBr)CC2)cc1I 2232830252 XLGQOTGINJRGMA-UHFFFAOYSA-N 452.130 3.616 50 10 JHGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC 2293631574 LVDZZACMNZDDRE-UHFFFAOYSA-N 487.512 3.744 50 10 JHGE CCOC(=O)C(C#N)=Cc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 2297366628 DJINCAVRKKMUNJ-UHFFFAOYSA-N 486.505 3.786 50 10 JHGE BrCCCOCCNCc1ccc(I)c(Br)c1 2306227118 LSUHCWWQAPQXJI-UHFFFAOYSA-N 476.978 3.945 50 10 JHGE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(CCCl)CCCl)cc3)C2=O)cc1 2313548253 QBASAQJWHMSYCA-UHFFFAOYSA-N 462.333 3.646 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 2314792480 DLXYWNDCCUCDQW-QGZVFWFLSA-N 484.936 3.796 50 10 JHGE COc1ccc(OC)c(C=CC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)c1 2321173270 LZWNLDBYNGSVQV-UHFFFAOYSA-N 477.517 3.566 50 10 JHGE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2369467357 XQPHSVOYHAOXEJ-MRXNPFEDSA-N 457.346 3.552 50 10 JHGE Cc1ccc(OCC(=O)N/N=C2\C(=O)Nc3c(Br)cc(C)cc32)c(Br)c1 1880559 BHTBSVQYMRJEPQ-UHFFFAOYSA-N 481.144 3.680 50 10 JHGE COc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 9695871 JXPOZQJCHUUQAW-VIFPVBQESA-N 462.127 3.993 50 10 JHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1C 10154294 WDJGCEGOXQXAIN-SFHVURJKSA-N 457.596 3.831 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)c(Br)c1 12489354 XHESRGCHUKHTLD-UHFFFAOYSA-N 484.803 3.940 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(O)c(OC)c3)n2-c2ccccc2)cc1 32576912 DHGVYUZEUILZOX-YSMPRRRNSA-N 489.557 3.900 50 10 JHGE Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822914 CNHBJZLJOUOVAM-WPWMEQJKSA-N 482.338 3.541 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598884 IKGRIFMEJDNHKR-OVVQPSECSA-N 482.899 3.926 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCCCNC(=O)c2cccc(O)c2)c(C)n1-c1ccc(F)cc1 726622064 GDBCTTAGIZKCJG-STZFKDTASA-N 460.509 3.782 50 10 JHGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1ccc(Br)cc1 1083918757 RZCWPHVVMPLKIJ-UHFFFAOYSA-N 487.427 3.562 50 10 JHGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 1084249783 YYACLHDZNNWCBW-UHFFFAOYSA-N 474.517 3.500 50 10 JHGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccccc1C(=O)O)S(=O)(=O)c1ccccc1 1084642721 WYFYTHZEMINISW-UHFFFAOYSA-N 485.949 3.692 50 10 JHGE CC(=O)N(c1ccc(NC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1)[C@H]1C[C@@H]1C 1662053814 FCZRCPYDCRTTIN-AOMKIAJQSA-N 452.555 3.977 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc(OC)c1O 1865714418 JVIWNMJXXVTXJK-IBGZPJMESA-N 483.322 3.884 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@H]1Br 1924801473 MPCMDYUTWMWAJN-QAPCUYQASA-N 497.455 3.572 50 10 JHGE CN1CCC[C@@H]([C@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2089532321 RBSDHEGMOFPTKS-NWDGAFQWSA-N 478.577 3.805 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@H](Br)CC12CCC2 2169890953 ZHIGBGFHUUSXCH-NSHDSACASA-N 450.114 3.919 50 10 JHGE CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cn2)CCN1Cc1ccccc1 2179821582 MBCKHNLUIYHMOM-IBGZPJMESA-N 452.418 3.508 50 10 JHGE CCN1CCC[C@@H]([C@H](Br)c2c(F)cccc2I)S1(=O)=O 2282903483 IRCYGYZWYVYNAC-AAEUAGOBSA-N 476.149 3.680 50 10 JHGE C[C@@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCCl 2364212783 ALHYNGGZBITMFB-YLJYHZDGSA-N 455.020 3.902 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 59384186 NHICGDKXNAAMND-KCBMDGGTSA-N 464.334 3.845 50 10 JHGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 100154447 AURYYLZJRLOIHS-UHFFFAOYSA-N 488.566 3.659 50 10 JHGE COc1ccccc1N1[C@@H](c2ccccc2C)[C@H]2C(=O)OC(=O)[C@H]2C12C(=O)c1ccccc1C2=O 105686695 KKLIRTQMIMJBBV-VABKMULXSA-N 467.477 3.699 50 10 JHGE CCOc1cccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1O 254601992 XDQGKZYSROXWTO-UHFFFAOYSA-N 474.542 3.732 50 10 JHGE C=CCOc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 254632275 SZJITLXFJCYQSI-UHFFFAOYSA-N 463.559 3.593 50 10 JHGE COc1cccc(-c2c(C(=O)NN=C(C)c3ccc(-c4ccccc4)cc3)nnn2-c2nonc2N)c1 254761392 AQYCWIMUVPFJLB-UHFFFAOYSA-N 494.515 3.729 50 10 JHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(Cl)c2)cc1 1084030610 NTMIOHLSLZEYJO-UHFFFAOYSA-N 485.993 3.732 50 10 JHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1cccc2ccccc12 1084365999 AWXKCMFOJOEIIZ-UHFFFAOYSA-N 482.573 3.653 50 10 JHGE CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719803 XUAWYYCKAFQHTQ-UHFFFAOYSA-N 493.472 3.994 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749947 SLFJXFMSHLJUEO-UHFFFAOYSA-N 475.501 3.847 50 10 JHGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1cc(Br)ccc1Br 1878684945 SUJXBJYVHWIGKI-UFBFGSQYSA-N 455.972 3.741 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2106989206 QSQLPJJPXMAIPX-VGWMRTNUSA-N 456.324 3.569 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](F)[C@@H](CBr)C1 2120595762 CHUJUIDXMFLFRZ-OIBJUYFYSA-N 479.991 3.565 50 10 JHGE C[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2172463148 IUDDZYIDGCIXQS-HOCLYGCPSA-N 461.422 3.895 50 10 JHGE CC(C)[C@H](Br)c1cn(-c2ccc(I)cc2[N+](=O)[O-])nn1 2177556380 UGOUHSIPYPRJCE-LBPRGKRZSA-N 451.062 3.872 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1S(=O)(=O)c1ccc(CBr)cc1 2190181992 QSCXSNQGGRKHIR-AWEZNQCLSA-N 461.422 3.990 50 10 JHGE COC[C@@H](Br)CCNC(=O)Cc1cc(Br)cc(Br)c1 2277931662 HXIBOZJLPIMXGC-JTQLQIEISA-N 457.988 3.670 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2OCC[C@@]2(CCl)C1 2296379893 FOKFYWPBHVIKIG-TZMCWYRMSA-N 470.532 3.524 50 10 JHGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc2ccccc2c1Br 2313861660 CUUUYXBWCYQGKG-UHFFFAOYSA-N 470.279 3.750 50 10 JHGE CC(C)[C@H]1C[C@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2344710808 NTMHKNMVXZUNMK-QFBILLFUSA-N 485.444 3.667 50 10 JHGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccccc1Cl 14643282 ZRSUYZNNOATCNR-ZDUSSCGKSA-N 455.736 3.713 50 10 JHGE Cn1ccnc1Sc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 33504323 ASGYHASCXCGYKQ-GDNBJRDFSA-N 463.475 3.796 50 10 JHGE Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@]1(C(=O)N(CC(C)C)c3ccccc31)C(C#N)=C(N)O2 39918689 LODGRBGMCMLVOF-NDEPHWFRSA-N 466.541 3.580 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCC(=O)OCC 58892324 MEWICTFJIPAECZ-AWXAQXEGSA-N 468.550 3.720 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc(OC)c1OC(C)=O 96504430 ZDFAZSIZCHIGQN-NVNXTCNLSA-N 458.492 3.801 50 10 JHGE COC[C@H](Br)CCNC(=O)c1cc(I)ccc1Br 230139903 SQTWGGUEXVQSML-MRVPVSSYSA-N 490.961 3.584 50 10 JHGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc2c(c1)OCO2 254464103 YBJDNFZBQVXMON-CALCHBBNSA-N 451.523 3.738 50 10 JHGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1OC 254734960 QCSNPDUUFLLQFZ-UHFFFAOYSA-N 488.569 3.954 50 10 JHGE O=C1[C@H](Br)CCCN1c1cc(Br)ccc1I 300889683 DFFMIVRUVVRZLL-MRVPVSSYSA-N 458.919 3.944 50 10 JHGE FC(F)(F)Oc1cc(I)c(I)nc1CCl 396176436 BOPFSGYVOVZSNH-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE O=C(NNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1nnc(O)c2ccccc12 730516814 MUVVXAHTERZBIC-FQEVSTJZSA-N 466.856 3.709 50 10 JHGE CN(Cc1nc(O)c2ccccc2n1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 914465168 DSDRHLKSNKACPX-XMHGGMMESA-N 463.501 3.678 50 10 JHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(N(C)C)cc2)c2ccccc2F)cc1 1083977558 ATFDDTFRICBXAM-UHFFFAOYSA-N 468.554 3.546 50 10 JHGE CC1(C)CC[C@@H](Br)[C@@H](CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1927037686 CMZUURSAGGUJTG-VQIMIIECSA-N 499.471 3.962 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)C1)c1cc(Br)ccc1I 2020190527 KVUOMKICQTWRFR-XWEPSHTISA-N 472.946 3.957 50 10 JHGE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1CC1(CBr)CCCCCC1 2106781988 MWIITMWCFCZVAZ-UHFFFAOYSA-N 453.443 3.604 50 10 JHGE O=C(NC[C@H](Br)CC(F)(F)F)c1ccc(F)cc1I 2119066237 PTZJMCUIZUCNAI-ZCFIWIBFSA-N 453.999 3.876 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC(OCCCCl)C1 2142281792 UYMADWZHWWTFTB-UHFFFAOYSA-N 458.521 3.524 50 10 JHGE C[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)[C@H]1CNC(=O)OC(C)(C)C 2163055788 KZGHDMFDNONFEG-YOEHRIQHSA-N 461.422 3.895 50 10 JHGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2165002730 SLPHGIOAJWOGJD-DLBZAZTESA-N 499.471 3.772 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@]2(CCl)CCC[C@H]12 2165230822 BMSBUSUHIJQQFH-UGKGYDQZSA-N 453.004 3.656 50 10 JHGE O=S(=O)([C@@H](CBr)C1CC1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 2179832246 IEHJPYVWNLGSQV-FQEVSTJZSA-N 455.462 3.868 50 10 JHGE Cn1nc(Br)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)n1 2226972612 PUAUCRLGUGFGDO-SECBINFHSA-N 451.944 3.759 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@@H](Br)CC12CCCC2 2241025867 GBNQOQHPYZASGK-JTQLQIEISA-N 450.114 3.919 50 10 JHGE CO[C@@H](CCBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277925774 LAIHIPCFIIRYNS-LBPRGKRZSA-N 457.988 3.670 50 10 JHGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1ccc(Cl)c(I)c1 2283665142 LJUDCSQOXBKZAC-MWLCHTKSSA-N 472.548 3.865 50 10 JHGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 2297469005 IXGABBVFZXRKPB-UHFFFAOYSA-N 489.601 3.613 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC(=O)OC 2313568628 XGBTUZYPTMBAMC-UHFFFAOYSA-N 483.952 3.546 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1OC 2321152239 MUMQLXSBFMUQCQ-UHFFFAOYSA-N 453.445 3.827 50 10 JHGE CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCOCCI)C2)CC1 2326653598 ITEXDOPWZPPCPX-KRWDZBQOSA-N 466.404 3.797 50 10 JHGE CCN(C[C@](C)(CI)OC[C@H]1CCc2nccn21)C(=O)OC(C)(C)C 2326870761 PUIKIPZLOWWEEI-KDOFPFPSSA-N 463.360 3.838 50 10 JHGE COc1ccc(CNC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 9221996 AQTPCVOQANQKNG-HYARGMPZSA-N 473.529 3.878 50 10 JHGE CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)N/N=C/c1ccco1 12384109 GJDPPUXMDDWGFX-SYOQMXFQSA-N 490.520 3.700 50 10 JHGE COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 33319810 DESYCUZRGIPLDC-RIYZIHGNSA-N 475.295 3.564 50 10 JHGE Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)C(C)(C)CCl)CC1 34787720 ZXNCOCAVIICVKW-HSZRJFAPSA-N 474.070 3.940 50 10 JHGE Nn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1cccc([N+](=O)[O-])c1 58987399 HSDTXGRPEONCSQ-AFUMVMLFSA-N 489.517 3.602 50 10 JHGE O=S(=O)(NCCCOCCBr)c1c(Cl)cc(Br)cc1Cl 230763589 YNCOINQSLQTASK-UHFFFAOYSA-N 470.010 3.836 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCN2C[C@H](Br)C[C@@H]2C1 405250384 COZNUHKULGCWKR-GHMZBOCLSA-N 466.999 3.505 50 10 JHGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1 1083973123 WSVCQYDPRQDMAG-HXUWFJFHSA-N 482.606 3.716 50 10 JHGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc(O)cc1 1084071437 GUPYCKRPOUVSAR-UHFFFAOYSA-N 464.319 3.878 50 10 JHGE CCOc1ccc(C=NNC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Br)cc2)cc1 1084084634 BDSKIUJSUSDGNJ-LJQANCHMSA-N 457.328 3.626 50 10 JHGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 1084499367 UTCCXCSTIGYVHY-UHFFFAOYSA-N 464.909 3.755 50 10 JHGE CC(C)(C)OC(=O)NC1(CNC(=O)NNC(=O)c2ccc(Br)cc2)CCCCC1 1321399070 DURYWYPOYCWHBS-UHFFFAOYSA-N 469.380 3.621 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749872 QOEXUILCTJPCSR-UHFFFAOYSA-N 461.474 3.805 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CC[C@@](C)(CI)O2)CC12CCOCC2 1949511403 LENAWXGVLGJDKC-WMZOPIPTSA-N 451.345 3.919 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@@H](OCc2ccccc2)C1 2009621492 GPRZWTHXNLYIGZ-CYBMUJFWSA-N 479.190 3.917 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1sccc1Br 2023039171 HOFNQMXMRGVWQE-IONNQARKSA-N 452.177 3.639 50 10 JHGE C[C@H]([C@H](Cl)c1cc(Br)ccc1I)S(=O)(=O)N(C)C 2029076320 YITBLKZJTQEIDC-HQJQHLMTSA-N 466.566 3.614 50 10 JHGE O=S(=O)(N[C@@H](CBr)C(F)(F)F)c1cc(Cl)c(Br)s1 2029996734 HAMWURTWWGCUQW-BYPYZUCNSA-N 451.511 3.768 50 10 JHGE COc1ccc(CN2C(=O)C(=CNNC(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)cc1 2040441819 NHKQQBLZHKAFJY-UHFFFAOYSA-N 461.905 3.807 50 10 JHGE C[C@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCBr 2089708432 ZMUNQXLSJBZBNK-LPHOPBHVSA-N 485.444 3.668 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2179862906 DKTIAJDSVAFLGY-YLJYHZDGSA-N 452.418 3.585 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2CCc3nccn32)CC1 2326859632 QAWCCTQWQSAWOZ-AWEZNQCLSA-N 461.344 3.592 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(Br)cc(OC)c1O 2328821118 FSYPJSMACDBHAY-NHYWBVRUSA-N 458.353 3.553 50 10 JHGE CSCC[C@H](Cl)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338851033 WSFWAYVKPVEVPT-MRXNPFEDSA-N 461.049 3.513 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@@H](CBr)C(C)(C)C 2338859024 AUVHZGDRMSEJTR-ZETCQYMHSA-N 460.008 3.827 50 10 JHGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14025664 KDNKDLMBWNXCSD-UHFFFAOYSA-N 499.633 3.847 50 10 JHGE CC1(C)CC(=O)C2=C(C1)N(c1ccccc1Cl)C(N)=C(C#N)[C@@H]2c1ccc(S(N)(=O)=O)cc1 20568346 QDIROEUDABXMSF-NRFANRHFSA-N 482.993 3.928 50 10 JHGE CC(/C=C/c1ccccc1)=N\NC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N 58991420 IQHXZIXDTAHMMR-RYCLTVPJSA-N 465.539 3.645 50 10 JHGE CC(=O)N(/C=C(/C#N)C(=O)Nc1ccc(I)cc1C)c1ccc(N)cc1 217253654 IFJJXADITWISBY-KAMYIIQDSA-N 460.275 3.581 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1cc(Br)sc1Br 235312721 GTLVUCMBNSZYCY-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE CC(/C=C/c1ccccc1)=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N 1084637666 ZOFJXYXDVBUJQV-PCKBTPEHSA-N 471.384 3.719 50 10 JHGE C#CCCCC(=O)NNC(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1 1646462117 NZRRLFDGFNPZDJ-UHFFFAOYSA-N 451.342 3.663 50 10 JHGE C=CCc1cc(CNC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc(OC)c1OC 1667711445 UQZFVQLXWQHNNL-UHFFFAOYSA-N 455.555 3.774 50 10 JHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3C)cc2OC)cc1OC 1772720015 CPHLVTBJLFJKEK-UHFFFAOYSA-N 478.501 3.769 50 10 JHGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CCC)cc1OC 1865709452 VMIRHKHJRDXYCW-XMMPIXPASA-N 481.597 3.856 50 10 JHGE O=C(NC[C@@]1(CCl)CCCO1)c1cc(Br)ccc1I 1879607267 DDNBSNVJNRIUFW-ZDUSSCGKSA-N 458.521 3.572 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](F)[C@H](Br)C1 1910196416 BFSBBZHBBKZHDC-RKDXNWHRSA-N 476.909 3.611 50 10 JHGE O=S(=O)(N[C@H](CCBr)C(F)F)c1cc(Br)ccc1Br 1918539156 UAGKAFMKRHFAMW-MRVPVSSYSA-N 485.970 3.909 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1cc(Br)sc1Br 2006153804 NTKZAWUHGGCZAH-CRYJXSNHSA-N 465.026 4.000 50 10 JHGE Cc1cc(C(=O)N2C[C@H](Br)[C@@H](Br)C2)ccc1I 2026132028 CNMUKFLMMCYRRC-UWVGGRQHSA-N 472.946 3.582 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1csc(Br)c1Br 2032953857 RMYHFSNATRVADL-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE CCCN1CCC[C@@H]([C@H](Br)c2cccc(I)c2)S1(=O)=O 2145775132 IPPGRSIQTZFXDU-UONOGXRCSA-N 472.186 3.931 50 10 JHGE Cc1ccc(CBr)cc1NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2278725386 MLHWBFHNFAZCAP-FQEVSTJZSA-N 483.359 3.656 50 10 JHGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(OC)cc2OC)NC(=O)c2ccccc2)ccc1O 2297451100 KKHBSVDREUSBSG-UHFFFAOYSA-N 489.528 3.729 50 10 JHGE NNC(=O)[C@H]1C[C@H]1CCCSc1cc(I)ccc1Br 2338341473 MOLFDFBLEXVKOJ-SCZZXKLOSA-N 455.159 3.552 50 10 JHGE CC1CCC([C@@H](CBr)NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2379737650 UGNGJODMHJMFMK-LBXVMSDZSA-N 499.471 3.962 50 10 JHGE C=CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2 39919095 YWRZGCYMZNNBLG-MHZLTWQESA-N 484.943 3.915 50 10 JHGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\NCCc2ccc(Br)cc2)cc1OC 217175685 UATSOCKODJPUNX-LSVCFVEQSA-N 458.356 3.883 50 10 JHGE CCCOc1ccc(C(CCCC(=NNC(N)=O)c2ccc(OCCC)cc2)=NNC(N)=O)cc1 252588517 ACHUXCOFDAWPFP-UHFFFAOYSA-N 482.585 3.880 50 10 JHGE C[C@@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)NN=Cc1ccncc1 254402958 OXLOBDIZLOQODT-GOSISDBHSA-N 457.563 3.905 50 10 JHGE COc1ccc(NC(=S)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1F 727498317 DQSBISITTQCRRB-UHFFFAOYSA-N 459.572 3.678 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccccc1[N+](=O)[O-] 1083909659 ICOAEXHFUIMUBL-MRXNPFEDSA-N 465.539 3.615 50 10 JHGE CC(=O)N[C@H](C(=O)NNc1ccc(F)cc1Br)c1cccc(Br)c1 1151570884 RTJYGYNOFKWDDV-HNNXBMFYSA-N 459.113 3.671 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CCl)CC1CCCCC1 1926785351 HGBPNBQNSVRNNW-GOSISDBHSA-N 455.020 3.950 50 10 JHGE COc1cc(C=C(C#N)c2nc(=N)[nH]c(=Nc3ccccc3)[nH]2)ccc1OC(=O)c1ccc(F)cc1 2040489580 DYTHHIDONGMSFT-UHFFFAOYSA-N 482.475 3.881 50 10 JHGE CCOc1ccc(I)c(I)c1C(=O)CBr 2060132036 UZOQYALDRPYNPF-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(CCCBr)CC1 2089701827 XKQAUXMECQTLOM-UHFFFAOYSA-N 485.444 3.670 50 10 JHGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1ccn([C@H]2CCCCO2)n1 2174001898 LMULEXXUYBGEED-GOSISDBHSA-N 456.406 3.947 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H]2COC[C@]2(CBr)C1 2226187310 WKCODXVJDMUNPP-MADCSZMMSA-N 474.012 3.757 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H]2OCC[C@]2(CBr)C1 2278886565 GFWAYLDHFJLSFF-PELKAZGASA-N 474.012 3.899 50 10 JHGE O=C(NC[C@@H]1CC[C@H](CCl)CO1)c1cc(I)ccc1Br 2279407093 KNIDFMJFSBDRCM-KOLCDFICSA-N 472.548 3.818 50 10 JHGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccccc4)cc3OC)nc2s1 2297350724 FYGHUPQPPIANPO-UHFFFAOYSA-N 487.541 3.847 50 10 JHGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1sc(-c2cnccn2)nc1C 2297635251 ZFLPMZMGUVVOPQ-UHFFFAOYSA-N 498.615 3.925 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@@H](NC(=O)OC(C)(C)C)C1 2322068821 LPJDGKHYPVIREI-QVKFZJNVSA-N 493.692 3.773 50 10 JHGE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325071932 XVZIMTSJCGNHRW-QVKFZJNVSA-N 493.692 3.582 50 10 JHGE O=C(NCc1nnc(CBr)s1)c1ccc(Cl)cc1I 2340056995 YXRMJFAIJZJJQC-UHFFFAOYSA-N 472.533 3.621 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2355845358 NBYIDJPCSBGPFT-QHAWAJNXSA-N 455.462 3.868 50 10 JHGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NNC(=O)c1ccccc1 59809567 PNASPYLKORNWSA-UHFFFAOYSA-N 457.559 3.606 50 10 JHGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 101341124 YSRHNQLYWXJGRX-WOJGMQOQSA-N 469.291 3.864 50 10 JHGE O=C(NCC(F)(F)CBr)c1ccc(Br)cc1I 2299744637 DJHNQGHUCDKAJR-UHFFFAOYSA-N 482.888 3.814 50 10 JHGE COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 48571770 LUOIGLCELBKIOM-AFUMVMLFSA-N 496.317 3.766 50 10 JHGE Nc1ccc(C(=O)NN=Cc2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 254632796 OFSHQVKTPCEUEK-UHFFFAOYSA-N 490.497 3.862 50 10 JHGE COc1cc(Br)cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)c1O 252628460 SQUNWZMQLWLVKK-UHFFFAOYSA-N 490.383 3.510 50 10 JHGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 725409442 LMGCGHSQFTVWFA-UHFFFAOYSA-N 494.935 3.845 50 10 JHGE COc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3COc4ccccc4C3)c3ccccc3n2)cc1OC 769591529 FXMWHSSLCPZJLE-IBGZPJMESA-N 483.524 3.931 50 10 JHGE C[C@@H]1CCCN(C(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 782092615 IATUOWKCNPCRQF-UEXNTNOUSA-N 465.941 3.826 50 10 JHGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(OC)c(COc3ccc([N+](=O)[O-])cc3)c2)c1 1083998414 SZOOWWANIPZZDJ-UHFFFAOYSA-N 465.462 3.964 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1scc(Br)c1Br 2122394369 WGQLBPISCYHFEW-HTQZYQBOSA-N 475.044 3.813 50 10 JHGE O=S(=O)(c1csc(CBr)c1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123229469 KKGBEQDWONXLSF-IAGOWNOFSA-N 455.443 3.786 50 10 JHGE CS(=O)(=O)c1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc1 1614619228 SHBNRJBCTZQHER-MJGOQNOKSA-N 455.361 3.741 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@]2(CC[C@](C)(CI)O2)C1 1924233017 ARHXQGLWJYXOHV-FGTMMUONSA-N 451.345 3.919 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 14654917 MCYLVVRQQMCALE-UHFFFAOYSA-N 462.344 3.645 50 10 JHGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3OC(F)F)c2)cc1 6250953 XHIDEOHQZMFOIT-AFUMVMLFSA-N 475.473 3.861 50 10 JHGE CO[C@H]1O[C@@H](CI)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 208788524 BTMDXQFGSXFKDC-YRPNKDGESA-N 454.304 3.964 50 10 JHGE O=C(NCc1nnc(CBr)s1)c1ccc(I)c(Cl)c1 1877559265 WXMQGZQRSMKLLL-UHFFFAOYSA-N 472.533 3.621 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCN2CCCC2)C1 2007042080 ZYKWNNXUIWZWOA-SFHVURJKSA-N 452.377 3.694 50 10 JHGE O=S1(=O)CC[C@H]([C@@H](CBr)Cc2cc(Cl)ccc2I)C1 405524010 KDCNTCJUJJLWLX-GXSJLCMTSA-N 477.589 3.933 50 10 JHGE FC1(F)[C@@H]2COC[C@@]21[C@H](Br)c1cc(I)cc2c1OCC2 2161773005 BAPRQHYPBVSZQB-RTXFEEFZSA-N 457.052 3.944 50 10 JHGE O=S(=O)(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1cscc1Br 2192575631 IKDGSKWJYFKZOX-DTWKUNHWSA-N 457.131 3.752 50 10 JHGE COC1CC(CBr)(NC(=O)c2cc(Br)c(Br)s2)C1 2077902800 UAICYOQFHJKWNR-UHFFFAOYSA-N 462.001 3.945 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2cccc3ccccc23)c1 12574177 DBZMWXQUAYANQW-UHFFFAOYSA-N 465.575 3.751 50 10 JHGE O=C(NNC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(NC(=O)C2CC2)cc1 14040586 AIXVIBLOZDBEDY-UHFFFAOYSA-N 459.502 3.568 50 10 JHGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 14664767 IGVBLMWRXDNPIK-UHFFFAOYSA-N 463.559 3.855 50 10 JHGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2C(C)C 38180325 LCEPEEMHNQASIL-FAJYDZGRSA-N 484.984 3.914 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 38656938 RADMWBNXWAQFBF-SANMLTNESA-N 488.496 3.915 50 10 JHGE CC(=O)Oc1ccc([N+](=O)[O-])cc1C1=NN(C(C)=O)[C@@H](c2cc3ccccc3cc2OC(C)=O)O1 101587455 QRDWGSFTQSGDCB-XMMPIXPASA-N 477.429 3.838 50 10 JHGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 206309200 FJIDDIXXFTVPTO-SDXDJHTJSA-N 463.519 3.612 50 10 JHGE C#CCOc1c(I)cc(C=NNC(=O)c2ccc(OCC)cc2)cc1OCC 1084506036 ZCCOIODEYXFZSA-UHFFFAOYSA-N 492.313 3.865 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1C[C@H]1CCCO1 1087795379 ZMHQWXFSPJTVEL-IMKZUMICSA-N 466.626 3.832 50 10 JHGE CCc1nn(C)c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c1Br 2072299854 CMVCEJFRKURPBP-CQSZACIVSA-N 473.209 3.797 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC[C@@H](CBr)C2CCC2)CC1 2107389090 GZDHMAKXKSKINZ-DXPJPUQTSA-N 452.459 3.753 50 10 JHGE COc1ccc(NC(=O)OC(C)(C)C)c(NS(=O)(=O)N2CCC(Br)CC2)c1 2162589689 SRQJLQUZSGTQCY-UHFFFAOYSA-N 464.382 3.558 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162595667 YOIPQIYSAUANKT-NVXWUHKLSA-N 461.422 3.943 50 10 JHGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(CBr)cc1 2179786842 GVBSMEOHGVRBBM-NRFANRHFSA-N 451.430 3.865 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185327392 WGXHHXKBABKLDO-XXILOJSOSA-N 467.983 3.979 50 10 JHGE O=C(Cc1ccccc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190676828 FZECFEMLCOXZHW-WJNVRWDZSA-N 452.105 3.699 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 2314735640 WWFKRHQJKVONQN-UHFFFAOYSA-N 477.546 3.839 50 10 JHGE C[C@]1(CBr)CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338851297 YHFJPBMXEQJQTM-OAQYLSRUSA-N 485.444 3.812 50 10 JHGE CCC[C@H](CCBr)CNC(=O)c1c(Br)c(Br)nn1C 2338860181 JUBIKJFEYFRAGU-MRVPVSSYSA-N 460.008 3.876 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](P(C)(C)=O)C[C@@H](C(=O)NCC2CC(Br)C2)C1 2344191284 NGGZCVWYYNFDJQ-JYVUQVBGSA-N 451.342 3.524 50 10 JHGE O=S(=O)(c1sccc1Br)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361446638 PBLFPGSCMVBRRQ-POYBYMJQSA-N 457.131 3.990 50 10 JHGE Cc1cccc(C(=O)NCC(F)(F)C(F)(F)CBr)c1I 2361682597 UQHDPWNAMVFWKA-UHFFFAOYSA-N 468.026 3.995 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(C)c(Br)c2)c(Br)c1 12487352 SIKSKJINILPVCY-UHFFFAOYSA-N 456.134 3.668 50 10 JHGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1 12573838 VYFZOKRMMUDIFM-UHFFFAOYSA-N 460.987 3.692 50 10 JHGE COc1ccc2c(c1)/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N2CC(C)C 33959388 PRMLUCNYDXWSBZ-LKUDQCMESA-N 450.322 3.904 50 10 JHGE CCCN1C(=O)N[C@H](c2ccc(NC(=O)C(C)(C)CCl)cc2)C(C(=O)OCCOC)=C1C 35710238 VUHWLPQUHMNZFL-LJQANCHMSA-N 465.978 3.830 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38683301 ZTYGVBVRPJZSSQ-XMMPIXPASA-N 474.444 3.815 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812015 TZMWEXCQZVTSHY-XAYXJRQQSA-N 472.545 3.726 50 10 JHGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 217147545 ZRIJKEWOAJKOKW-VKAVYKQESA-N 458.440 3.598 50 10 JHGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2C)c1C)S(C)(=O)=O 252608789 HMXSLDNARDXUJL-UHFFFAOYSA-N 482.606 3.636 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccncc3)n2-c2ccc(OC)cc2)cc1 254567331 ROLSDOHIVWNZQR-UHFFFAOYSA-N 488.573 3.979 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccncc3)n2-c2ccc(C)cc2)cc1 254733703 FZLROXVKKRXVIP-UHFFFAOYSA-N 458.547 3.889 50 10 JHGE CC(=O)[C@H](Br)c1cc(I)ccc1I 306580816 OUGFBTQQKMIHME-VIFPVBQESA-N 464.866 3.921 50 10 JHGE O=[N+]([O-])c1cc(CCl)ccc1-n1cnc(I)c1I 385407757 BAWFIUVOUNXNMF-UHFFFAOYSA-N 489.438 3.729 50 10 JHGE O=C(Cl)c1cc(I)c(I)c(OC(F)(F)F)n1 396163204 USFLUBKTUHBBCN-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE CC[Si](CC)(CC)O[C@@H]1CO[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](CC(=O)O)[C@@H]1CC(=O)O 616586924 GXHFACSBTKJLNX-WFIKIKRESA-N 469.563 3.902 50 10 JHGE COc1ccc(C(=O)NNS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)c(OC)c1 734742876 BTWPIANUXYTJOD-UHFFFAOYSA-N 462.911 3.773 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccccc1[N+](=O)[O-] 1084116732 BGRNUKQHGLVTKK-UHFFFAOYSA-N 457.078 3.649 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cc1 1215026602 NMBBJUMOFURODC-OAHLLOKOSA-N 451.483 3.683 50 10 JHGE C#C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1)C1CCOCC1 1231330612 DQJDQUZVQCFARB-HSZRJFAPSA-N 455.580 3.697 50 10 JHGE COc1ccc([C@H](C(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867014862 ZUJHXFXWPGLTQZ-FGZHOGPDSA-N 453.564 3.658 50 10 JHGE O=C(CBr)c1ccc(OC(F)(F)F)c(I)c1[N+](=O)[O-] 2055112737 VEOMAFZJCAUJHS-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE O=S(=O)(Nc1ccc(Br)cc1Br)N1CCC(Br)CC1 2105891525 QLIGJWQBYUXWGI-UHFFFAOYSA-N 477.016 3.728 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2121590181 BYMVBQCWSKDBOT-VDAHYXPESA-N 474.012 3.755 50 10 JHGE O=S(=O)(c1ccc(Br)cc1Cl)N1CC(F)(F)C[C@@H]1CBr 2159048615 GKWSFAYKBQVHKZ-MRVPVSSYSA-N 453.530 3.896 50 10 JHGE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)S(=O)(=O)c1ccc(CBr)cc1 2163050429 JSRZPGBMDHFRBG-UHFFFAOYSA-N 475.327 3.659 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](CBr)C2(CCCC2)C1 2175218761 OPEQXUCWIQKVHM-QGZVFWFLSA-N 497.455 3.670 50 10 JHGE CN1CCC[C@]1(C)CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2300071825 CYNIOPSXVNTMBP-QZTJIDSGSA-N 452.377 3.692 50 10 JHGE CN(CCCCCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826841 KZBDWJOWYSQOBV-UHFFFAOYSA-N 473.433 3.670 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(Cc2ccccc2)C(C)(C)C1 2325584576 DRSWXXWLMCPUGP-QHCPKHFHSA-N 483.700 3.990 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C=Cc4ccc(Cl)cc4)c(=O)c23)C1 2325886170 BWRAYAHZFYUMAQ-ZIAGYGMSSA-N 470.982 3.658 50 10 JHGE CCCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OCC 2325903498 FSRRUDFHDKMBHN-UHFFFAOYSA-N 468.579 3.675 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)[C@H]1CC=CCC1 2364214943 QNMQJDPTQRRNFD-PXNSSMCTSA-N 497.455 3.882 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC2(CC1)C[C@@H]2CCl 2364216238 ZDIVSHMWOLWNET-QGZVFWFLSA-N 453.004 3.514 50 10 JHGE CCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 9820073 KVIFXUZIDKDTLW-UHFFFAOYSA-N 479.371 3.828 50 10 JHGE O=C(CCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc(Br)cc1Cl 13998752 RRCJUIMSKGTOMU-UHFFFAOYSA-N 497.773 3.585 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NNC(=O)Cc1ccc(Cl)cc1 14001883 KLPWYXOGWLBLFN-UHFFFAOYSA-N 476.552 3.634 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCC(=O)OCC 58895177 MFYHSBXUFDRNIB-WCFTWNFSSA-N 468.550 3.720 50 10 JHGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O 102846790 OALCBOFFBCZYKE-VKAVYKQESA-N 466.925 3.898 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H](CBr)O1 235337370 MJEQNBXHJYFASR-SCZZXKLOSA-N 455.972 3.836 50 10 JHGE O=C(c1cc(Br)ccc1I)N(CCCl)CCCl 236021992 FFSSMIFFWLGCKY-UHFFFAOYSA-N 450.929 3.974 50 10 JHGE CCc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)cc1 254498019 MCDGXFNFCKJBPI-YJBVPARPSA-N 471.513 3.965 50 10 JHGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccncc2)cc1I 1083997485 QNDWOJZTFIJLRK-UHFFFAOYSA-N 482.281 3.901 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)c1ccc(OC)c(Br)c1)c1ccc(Cl)cc1F 1230504559 KOMYVSMSRFRVPR-OAHLLOKOSA-N 454.683 3.569 50 10 JHGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCC(=O)N(CC)CC 1865706646 BRQMGPRNLFQVGK-DEOSSOPVSA-N 481.597 3.712 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NCC1CC(Br)C1 1893137787 XTBRRDXQESDELW-DAWZGUTISA-N 455.393 3.776 50 10 JHGE O=C(N[C@@H]1C[C@@H]1CBr)c1cc(I)ccc1Br 1975547217 TVJCCRLJWBYEGZ-LHLIQPBNSA-N 458.919 3.567 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1977072077 SDQRGPCQAVBKAG-SHTZXODSSA-N 469.239 3.592 50 10 JHGE CCN1CC[C@H]([C@@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2089522382 IJDJYPKZACZGBW-NEPJUHHUSA-N 478.577 3.805 50 10 JHGE Cn1ncc(Br)c1-n1c(CCl)nc2cc(I)ccc21 2099582580 LAZDMSBSFQVWPL-UHFFFAOYSA-N 451.493 3.865 50 10 JHGE O=C(NC[C@H](NS(=O)(=O)c1ccccc1CCl)C(F)(F)F)OCc1ccccc1 2106303720 XNRNTCRNKPCHRC-INIZCTEOSA-N 450.866 3.561 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1ccsc1CBr)C2 2123284901 SZBWALOUIOJQBB-APWZRJJASA-N 455.443 3.786 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CC(OCCCBr)C1 2141948071 BVSMYENKGUOBGH-UHFFFAOYSA-N 455.972 3.838 50 10 JHGE O=C(N[C@@H]1CC12CC(NS(=O)(=O)c1ccc(CBr)cc1)C2)OCc1ccccc1 2142151621 CZXYAASPTWGMJV-MOMVYJMYSA-N 479.396 3.707 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@H]2CCC[C@H]21 2162588143 BSALJYMACXWELA-IXDOHACOSA-N 459.406 3.648 50 10 JHGE COC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1csc(N(C)C[C@H]2C[C@@H](Br)C2)n1 2198608992 AAYQTGRAKSUXNF-FRRDWIJNSA-N 462.410 3.882 50 10 JHGE C[C@H](N(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)Oc1ncc(Br)cc1B(O)O 2217183799 OFFTUPYTLAYQQE-HNNXBMFYSA-N 493.207 3.507 50 10 JHGE Cc1ccc(B(O)O)cc1NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2269542362 GFIVTZLTRWIOAQ-SANMLTNESA-N 486.377 3.567 50 10 JHGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC#N 2313568675 XWVNSBZYMUVITN-UHFFFAOYSA-N 456.546 3.972 50 10 JHGE O=C(C=Cc1cccs1)NNC(=O)COc1ccc(Br)cc1Br 2313620011 IQLDZDLQZUXNDY-UHFFFAOYSA-N 460.147 3.513 50 10 JHGE CC(C)[C@H](Br)[C@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825990 GSSFMFINYKFRCJ-YJBOKZPZSA-N 473.433 3.570 50 10 JHGE COc1ccc([N+](=O)[O-])cc1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2325409447 UGELJXGHAQCIFC-UHFFFAOYSA-N 478.246 3.975 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCC[C@@H](CBr)C1 2338836346 KVWXJZHQGWYJFL-SJORKVTESA-N 485.444 3.716 50 10 JHGE CC(C)[C@H]1[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338851074 CPPQATRPFRKXQV-MOPGFXCFSA-N 485.444 3.667 50 10 JHGE CCC[C@@H](CCBr)CNC(=O)c1c(Br)c(Br)nn1C 2338860182 JUBIKJFEYFRAGU-QMMMGPOBSA-N 460.008 3.876 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H](Br)c1ccccc1 2364195454 QCPNUDVAKBGFRV-HXUWFJFHSA-N 493.423 3.899 50 10 JHGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CCCl 2364197692 OBKCMVJFFCUBND-QGZVFWFLSA-N 455.020 3.760 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13978079 MTVJQPWVKLTWHU-UHFFFAOYSA-N 468.735 3.681 50 10 JHGE C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14026961 ZKPRHEMQUNJONT-JTQLQIEISA-N 462.127 3.750 50 10 JHGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 38654242 MFBUCUOMXCATGA-DEOSSOPVSA-N 457.442 3.970 50 10 JHGE C[C@H](Br)C(=O)c1ccc(I)cc1I 306720469 NMMSPXNHOGVLHX-YFKPBYRVSA-N 464.866 3.862 50 10 JHGE COCCS(=O)(=O)CCOc1c(Br)cc(Br)cc1CBr 383553478 HULOJNLXKCGVSK-UHFFFAOYSA-N 495.027 3.547 50 10 JHGE CC1(C)C[C@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H](Br)C1 703966191 CVQJWLFOWJCDFH-LSDHHAIUSA-N 485.444 3.570 50 10 JHGE CCC[C@@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCc2sccc2C1 727230530 XXWSEJCIALUVMN-LJQANCHMSA-N 456.612 3.743 50 10 JHGE O=C(NNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1ccc2c(c1)OCCO2 730471046 PHWWBFHXLRJDTH-OAQYLSRUSA-N 456.857 3.832 50 10 JHGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 1083907024 NNBXUGHVCBCPOZ-UHFFFAOYSA-N 494.935 3.763 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(Br)cc1F 1260381342 YRNYFDPMXMLYBS-UHFFFAOYSA-N 489.454 3.773 50 10 JHGE CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NNC(=O)c1ccc(Br)cc1 1321617415 CPLCCFCXVSHGII-CYBMUJFWSA-N 485.425 3.575 50 10 JHGE C=CC[C@@]1(C(=O)NNC(=O)Nc2cc(OC)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1639398042 MDOCWZOJKGTTBY-NRFANRHFSA-N 452.939 3.847 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743573 BXMYUWSQTWYJDJ-UHFFFAOYSA-N 498.381 3.838 50 10 JHGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)c1ccccc1S(=O)(=O)CC(C)C 1865845113 JGMLTWCUONATJT-UHFFFAOYSA-N 471.604 3.547 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](F)[C@H](Br)C2)cc1Br 1888471077 ZLVHWXOUTKZWHL-NXEZZACHSA-N 479.991 3.626 50 10 JHGE COC1CC(CBr)(NC(=O)c2cccc(Br)c2Br)C1 1899871856 BPVJXLYYIPZBSK-UHFFFAOYSA-N 455.972 3.884 50 10 JHGE CC[C@H](C)[C@@H](CI)NC(=O)c1csc(I)c1 1993391529 WFOOZAVXYJHYNT-IONNQARKSA-N 463.122 3.932 50 10 JHGE Cc1nsc(Br)c1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2010829403 WBTZPNAJKOWGOY-UHFFFAOYSA-N 456.453 3.850 50 10 JHGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1csc(Br)c1Br 2048708189 WMXNECOLAFIHSV-SVRRBLITSA-N 462.001 3.803 50 10 JHGE Cc1ccc(Br)cc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2125301435 FFXKLNMYGRAWFO-UHFFFAOYSA-N 485.491 3.942 50 10 JHGE CCn1nnc(CC(CBr)(CBr)c2ccc(Br)cc2)n1 2197803929 DKKVGBIGSTWBKY-UHFFFAOYSA-N 467.003 3.726 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239903234 KUSCILAWYCUPRR-HZMBPMFUSA-N 467.983 3.838 50 10 JHGE NNC(=O)C=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1 2293940863 JGQNVBBFCZYBKY-UHFFFAOYSA-N 473.108 3.636 50 10 JHGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)NCCCOC(C)C 2296846374 GXCDKYDASHZASI-UHFFFAOYSA-N 460.534 3.942 50 10 JHGE O=C(N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(Br)cc1)c1ccccc1 2297635497 BNYFVGDRMYXIFW-NRFANRHFSA-N 450.336 3.941 50 10 JHGE CC(C)[C@@H]1C[C@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)CN1C(=O)OCc1ccccc1 2324772588 JLXYZKVPKMXLOZ-RYLXDESZSA-N 453.377 3.640 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CCCl)CCSCC1 2364195540 QYWIKTRZOISUSB-UHFFFAOYSA-N 473.060 3.657 50 10 JHGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)c1 10283613 JGCDXWANIWUBGI-UHFFFAOYSA-N 451.548 3.589 50 10 JHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)o1 13978498 KXOJFIJXZGRROB-PKNBQFBNSA-N 488.363 3.618 50 10 JHGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCC)cc2)sc2c1CCCCC2 15985362 BPPOZWNTDRVDPS-UHFFFAOYSA-N 457.552 3.681 50 10 JHGE aggregator Cc1ccc(-c2csc3ncn(CCC(=O)NNC(=S)NCc4ccccc4)c(=O)c23)cc1 16232515 XDOCLBUGPWHVFF-UHFFFAOYSA-N 477.615 3.519 50 10 JHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)sc(C)c1C 33568248 RHXYCDWTBCLILG-LFIBNONCSA-N 499.570 3.995 50 10 JHGE CCOc1cc(/C=N\NC(=O)COc2ccccc2Br)cc(Br)c1O 39724881 ZZTKYCSGUIILBH-UKWGHVSLSA-N 472.133 3.845 50 10 JHGE Cc1ccnc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1 40588307 DSPUIPSLLISKJA-UHFFFAOYSA-N 464.269 3.661 50 10 JHGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N1CCCc2ccccc21 40780246 DWLAZCGTUIPZLU-UHFFFAOYSA-N 459.337 3.972 50 10 JHGE N#C/C(=C(\O)c1ccccc1Br)c1nnc(N2CCOCC2)n1-c1ccccc1 102231671 FQKPIKJTKKVRDD-HTXNQAPBSA-N 452.312 3.816 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)cc3)nc3ccccc3c2=O)cc1 254301734 FERVYIOKPGZHQB-UHFFFAOYSA-N 458.543 3.945 50 10 JHGE CO[C@@H]1C[C@@H](CCl)N(C(=O)c2cc(Br)ccc2I)C1 311535048 MBBAJWHBRZJOFT-VHSXEESVSA-N 458.521 3.522 50 10 JHGE Brc1ccc(I)c([C@H]2CNC[C@@H]2CI)c1 396777622 CTNUEOYJTJCCDM-XVKPBYJWSA-N 491.936 3.792 50 10 JHGE O=C(NCc1ccccc1OC(F)(F)F)NNC(=O)c1cc(F)ccc1Br 728743335 LAEAXTULFAJPCB-UHFFFAOYSA-N 450.186 3.631 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc(OC)c1O 1865714990 SIBCSMPRENJSTQ-FQEVSTJZSA-N 452.898 3.834 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCCSc4ccccc4)c(=O)c23)C1 1865851921 KMPXQMFHQXQBOZ-HZPDHXFCSA-N 484.647 3.864 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)c1c(Br)cccc1Br 2112710876 NSVSYHDDEGPJDO-CYBMUJFWSA-N 455.972 3.838 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2149542611 YAPUJLZCRUKEAU-GMTAPVOTSA-N 488.039 3.863 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]2CC[C@H](Cl)C[C@H]21 2167011675 OUNGPNAPWWKFFM-JTDSTZFVSA-N 453.004 3.511 50 10 JHGE O=C(N[C@@]12CC[C@@](CCl)(C1)OC2)c1ccc(I)c(Br)c1 2190190313 PIJMUEYUZVGBIB-KBPBESRZSA-N 470.532 3.714 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NC1(CBr)CCOCC1 2295307047 DPITZJMUVMQLME-UHFFFAOYSA-N 469.999 3.814 50 10 JHGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2cccc(OC)c2)c(OC)c1 2314789681 UIMZPNLMCVWJHY-QGZVFWFLSA-N 452.507 3.900 50 10 JHGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNC1CC(C)(C)NC(C)(C)C1 2325406261 CTMYCIFRFDVJIJ-UHFFFAOYSA-N 466.367 3.844 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)C1(CBr)CCCC1 2338686981 SDEAFAPCFQRIQK-UHFFFAOYSA-N 457.992 3.725 50 10 JHGE C[C@@H](Cl)CN1CCN(Cc2ccc(I)c(Br)c2)CC1 2349823428 BVJPVZWVWZBJML-LLVKDONJSA-N 457.581 3.799 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Cl)CC2(CCC2)C1 2364215496 UOGCQMAUPIBDHW-QGZVFWFLSA-N 453.004 3.656 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCC(=O)OCCc3ccccc3)cc2)c1 14010910 WJCRZUOWHAUVFB-UHFFFAOYSA-N 473.529 3.574 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)c(Br)c1 14030602 LNSQNRPNGWLLEI-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE Cc1cccc2c(=O)n(CCC(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)cnc12 22007132 KQRNOTPAQABYBO-QGZVFWFLSA-N 466.607 3.769 50 10 JHGE Cc1ccc(-c2nc(C)c(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)s2)c(C)c1 97545133 RJPMNZLWZOUURG-UHFFFAOYSA-N 456.593 3.933 50 10 JHGE O=C(NNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1)c1ccc2ccccc2n1 109764000 ROCLBOIXHVZLGP-UHFFFAOYSA-N 477.322 3.530 50 10 JHGE O=C(NNC(=O)c1ccc(Br)s1)c1csc(-c2cnn(-c3ccccc3)c2)n1 109988360 GRKNVIWRJFEBKF-UHFFFAOYSA-N 474.365 3.895 50 10 JHGE CC(=NNC(=O)c1ccc(Br)o1)c1cccc(NS(=O)(=O)c2ccccc2)c1 254491620 CATHAJWEBZLLEL-UHFFFAOYSA-N 462.325 3.997 50 10 JHGE COc1ccc(OC)c(C(=O)N/N=C(/C)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2)c1 1615030259 AYWAGQFAYISZSW-KBDKCKGXSA-N 467.522 3.687 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc(OC)c1OC 1865692443 MDMZVEYORIKHPP-INIZCTEOSA-N 473.411 3.530 50 10 JHGE Cc1cccc(C(=O)N[C@H](CBr)C[C@H]2CCCO2)c1I 1926742571 XNWRMYLCAGASQF-NWDGAFQWSA-N 452.130 3.662 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CCC[C@H](CI)O1)CO2 2005246765 PDXZKTHDHOJQHZ-KDOFPFPSSA-N 451.345 3.919 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N[C@@H](CI)C(C)C)c1Br 2027395456 NOKPYWSHOFTMGA-VIFPVBQESA-N 466.204 3.865 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCOC[C@@H](CBr)C1 2098205732 FLYKAJOUXVELAV-VIFPVBQESA-N 455.972 3.695 50 10 JHGE Clc1cc(CN[C@H]2CCCN(CCBr)C2)ccc1I 2142948644 CGKALYZMFWBGFD-LBPRGKRZSA-N 457.581 3.894 50 10 JHGE O=C(c1cc(Br)ccc1I)N1[C@H](CCl)C[C@H]2OCC[C@H]21 2146699853 RUQCANIGHGOBRP-ZWKOPEQDSA-N 470.532 3.665 50 10 JHGE CCOc1ccc(NS(=O)(=O)N2CC(OCc3ccccc3)C2)cc1CBr 2161936808 GUPQTSWCDDBDDE-UHFFFAOYSA-N 455.374 3.538 50 10 JHGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(I)ccc1O 2204561211 DZJFYAQOMWFWDO-SKZLGDCLSA-N 450.114 3.679 50 10 JHGE CC(C)(C)OC(=O)N1CCN(C(=O)CCCCBr)CCN(C(=O)OC(C)(C)C)CC1 2211438129 QTNWYCLARFVJKR-UHFFFAOYSA-N 492.455 3.868 50 10 JHGE COc1ccc([C@H](Br)c2nn(C)nc2Br)cc1I 2257354426 LMQFQUFSCOWJBI-VIFPVBQESA-N 486.933 3.675 50 10 JHGE COCCNC(=O)C(C#N)=Cc1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 2297318717 QXRZNVUQHWHVIK-UHFFFAOYSA-N 460.534 3.762 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@]1(CCl)C[C@H]2CC[C@H]1C2 2364206980 XMRVYLXQZHAZTK-PNLZDCPESA-N 453.004 3.560 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCCl)C1CCCC1 2364214241 FSJUORKWCRVCMY-HXUWFJFHSA-N 455.020 3.950 50 10 JHGE COc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14006414 GWXFDDBXIQBPFR-CQSZACIVSA-N 465.344 3.575 50 10 JHGE O=C(NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40648270 JJUFWUMHWHRLHB-UHFFFAOYSA-N 474.231 3.556 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1C(C)C 41015134 BTJREPPLOTZJFW-XSFVSMFZSA-N 464.518 3.569 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101615995 HMIKWEQWGMCRHA-BUVRLJJBSA-N 470.938 3.848 50 10 JHGE CCOC(=O)C1=C(C(Br)Br)NC(=O)N[C@@H]1c1ccccc1Cl 138036180 IKNYTZBJLCLNAV-SNVBAGLBSA-N 452.530 3.627 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 206732301 FKKDWOZBPPUPKL-PDGQHHTCSA-N 491.456 3.794 50 10 JHGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1 206825678 RGUMXQXUTYEFHL-KSVUCXBSSA-N 455.580 3.713 50 10 JHGE COc1ccc(CCCc2nnc(SCC(=O)NN=Cc3ccc(O)c(OC)c3)o2)cc1C 252602479 FIZWIBQQJLGGRU-UHFFFAOYSA-N 470.551 3.519 50 10 JHGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3ccccc3O)cc2)S(C)(=O)=O)cc1C 254498077 KETDEMRRFRIBGM-UHFFFAOYSA-N 451.548 3.739 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@@H]2COc3ccccc3O2)cc1OC 254629765 JRUHUMRLAQJBPT-VWLOTQADSA-N 484.512 3.847 50 10 JHGE CCCOc1ccc(-c2c(C(=O)NN=Cc3cccc4ccccc34)nnn2-c2nonc2N)cc1 254801288 WBGPJFXYMFLLMT-UHFFFAOYSA-N 482.504 3.605 50 10 JHGE Nc1nnc(SCC(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)s1 256028472 OOUITOOUILZVNI-UHFFFAOYSA-N 478.397 3.704 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 709114361 YORCLDRWCBPBKD-RKDXNWHRSA-N 476.028 3.863 50 10 JHGE Cc1csc(CC(=O)NNC(=O)COC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)n1 752858939 MNIXPJHPNAMJIL-VXLYETTFSA-N 487.940 3.718 50 10 JHGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084029948 IHSJEHODRIZIGE-UHFFFAOYSA-N 499.976 3.919 50 10 JHGE C[C@H](C(=O)Nc1cccc(C(=O)Nc2ccc(SC#N)cc2)n1)N1C(=O)c2ccccc2C1=O 1860560403 DGWFRJMRDRSCRE-CQSZACIVSA-N 471.498 3.530 50 10 JHGE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCC(Br)CC1)Cc1ccccc1 1959253277 CLNFGEGBXDLTHL-UHFFFAOYSA-N 480.472 3.725 50 10 JHGE O=C(NC1CC(Br)C1)c1ccc(I)c(Br)c1 1986068291 WMJHYPTXFDDALW-UHFFFAOYSA-N 458.919 3.709 50 10 JHGE O=C(c1csc(I)c1)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2107043600 AYRPXZKMBNPSFH-JGVFFNPUSA-N 468.076 3.998 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2CCC[C@H](C1)C2Br 2167781627 NIXDNDYWZDZIDN-BVUQATHDSA-N 450.114 3.632 50 10 JHGE O=C(c1ccc(F)cc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190678418 LJWUKDYKOSKIHV-SKZLGDCLSA-N 456.068 3.909 50 10 JHGE O=S(=O)(NC[C@@H]1CC[C@H](CBr)CO1)c1cc(Cl)c(Br)s1 2279395249 VLTLQCGULPASNF-SFYZADRCSA-N 467.632 3.632 50 10 JHGE CC(C)(C)OC(=O)NCc1nc(CNS(=O)(=O)c2ccc(CBr)cc2)cs1 2286739549 QUDNWLPOVPUSKS-UHFFFAOYSA-N 476.418 3.541 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2OCC[C@@]2(CCl)C1 2296380792 NTXPQEVLXDVYII-GXTWGEPZSA-N 470.532 3.524 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C=Cc3ccco3)cc2)cc1 2330804461 KLPWEHYISUJPGH-UHFFFAOYSA-N 496.570 3.735 50 10 JHGE NNC(=O)[C@@H]1C[C@H]1CCCOc1c(Br)cc(Br)cc1Br 2362617635 RDGLHEPYHFSKHS-VXNVDRBHSA-N 470.987 3.759 50 10 JHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2cccs2)c(C(C)C)cc1Br 13976515 OEHNMTDVFXWPCK-UHFFFAOYSA-N 470.414 3.657 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(OC)c1 14649863 NOPJYCLRJRZHGS-UHFFFAOYSA-N 451.317 3.720 50 10 JHGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812205 MDXAIGRZWBPGTP-NHFJDJAPSA-N 460.490 3.939 50 10 JHGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1 254626788 CIINDYQSCRIIBE-UHFFFAOYSA-N 478.603 3.765 50 10 JHGE O=C(c1scc(Br)c1Br)N1CCN2C[C@H](Br)C[C@@H]2C1 705468261 RWRHGEVIIAEZQX-HTQZYQBOSA-N 473.028 3.567 50 10 JHGE Cc1cccc(C(=O)N2CCS[C@H](CCBr)C2)c1I 720040682 NJIXPZKTILVLDC-LLVKDONJSA-N 454.171 3.942 50 10 JHGE CCc1cccc(NC(=O)CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 748261254 GKBUNXHJKRQZEJ-QNGOZBTKSA-N 452.518 3.688 50 10 JHGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)c1 1084311942 BHEMUTUXTXUXRU-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE C=CCOc1ccc(/C=C/C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1OC 1466239030 XAUSBHQSTRHGAZ-VZUCSPMQSA-N 456.442 3.710 50 10 JHGE CC(=O)N[C@H](C(=O)NNc1ccc(C#N)cc1C(F)(F)F)c1cccc(Br)c1 1467404642 LMAPCASLFKLBCI-INIZCTEOSA-N 455.234 3.660 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc1 1673982926 PLMVTDSDMYOPTL-LLVKDONJSA-N 450.373 3.669 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc(F)c3)cc2)cc1 1858988522 CGUKMWCDCMULEM-UHFFFAOYSA-N 498.561 3.882 50 10 JHGE O=S(=O)(NCCC(F)(F)CBr)c1cc(Br)ccc1Br 2128190218 NEIGRTJZRCEXGR-UHFFFAOYSA-N 485.970 3.910 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc(F)c(NS(=O)(=O)N2CCC(Br)CC2)c1F 2162590423 BJHRLZDUZNFQBH-UHFFFAOYSA-N 470.336 3.828 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2172279940 NJVXGGLFBBTVQA-PPUGGXLSSA-N 465.385 3.503 50 10 JHGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(F)ccc1CBr 2179788431 CBVHORPDRFVGRA-QGZVFWFLSA-N 455.393 3.863 50 10 JHGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cn1 2179813286 VVXKNGLGQGYRLP-MJGOQNOKSA-N 453.402 3.981 50 10 JHGE Cc1cc(C(=O)N2CCOC[C@H]2C[C@H](C)Br)ccc1I 2207097134 OIEOQVLJRIMULJ-WCQYABFASA-N 452.130 3.614 50 10 JHGE CC[C@@]1(CBr)COCCN1C(=O)c1ccc(I)c(C)c1 2207108729 PNYUGJWXJLXNNZ-OAHLLOKOSA-N 452.130 3.616 50 10 JHGE Cc1ccc(C(=O)N2CCC[C@H](OCCBr)C2)cc1I 2232829205 HJGPFPPQBCMNPH-ZDUSSCGKSA-N 452.130 3.616 50 10 JHGE CN(CCOCCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277931169 GIZPSSFNHFUFPJ-UHFFFAOYSA-N 457.988 3.624 50 10 JHGE Cc1ccc(I)c(C(=O)NC[C@H]2CC[C@@H](CBr)CO2)c1 2279407158 IHZLHLGETYWXPQ-NWDGAFQWSA-N 452.130 3.520 50 10 JHGE C=CCC1(CCl)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2287842685 SEILTMMGAIOIMD-UHFFFAOYSA-N 453.004 3.536 50 10 JHGE CN1CCN(Cc2ccc(Cl)cc2I)[C@H](CCBr)C1 2341012955 ROKLWVXWHIBXTN-CYBMUJFWSA-N 457.581 3.846 50 10 JHGE CC(C)(C)OC(=O)NCC[C@H]1CCN(CCOCCI)[C@@H](C(F)(F)F)C1 2351591960 XBKAZGMXGJNIKW-UONOGXRCSA-N 494.336 3.996 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1Br 14647781 RDBROFDPMVQJHI-UHFFFAOYSA-N 470.776 3.841 50 10 JHGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(-n2ccnc2)cc1 33704505 AZCFMMWOUHMBNM-JLPGSUDCSA-N 465.560 3.889 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 38658836 LZWQJHDXSOGCHW-RUZDIDTESA-N 488.496 3.915 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826547 WEPXMFQRUVRDPF-WPWMEQJKSA-N 461.474 3.788 50 10 JHGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cc([N+](=O)[O-])ccc1O 58988083 XTRYDPHWAVWDLQ-VXLYETTFSA-N 461.481 3.841 50 10 JHGE COc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 59418928 CBYTUKLQTWNCSF-LSCVHKIXSA-N 457.078 3.892 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@H](CBr)O1 230052002 MCDDDLKIPJFIAF-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE C[C@H](Br)CN(C)C(=O)c1cc(Br)ccc1I 235391616 MTAOJVIHMWBHGH-ZETCQYMHSA-N 460.935 3.909 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 254391855 AHQHOVHOOJWWJS-UHFFFAOYSA-N 463.446 3.742 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)CSCc2ccc(Br)cc2F)c1 727499187 DTCFVLKOWVOOHV-UHFFFAOYSA-N 452.374 3.821 50 10 JHGE COc1ccc(C(=O)COC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1OC 786305125 FLIIFSRQMZJJLC-TUJQNWBVSA-N 452.507 3.634 50 10 JHGE CC1=C(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1083961564 IXBLMWQZEDGMAC-QGZVFWFLSA-N 464.334 3.845 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)COc2cc(C)cc(C)c2)c1C 1083966403 DRGVGPBYCWNNEC-UHFFFAOYSA-N 451.483 3.552 50 10 JHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cccs1 1083995627 JOCUGGYISKKIBV-UHFFFAOYSA-N 461.996 3.785 50 10 JHGE CCOc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1OCC 1084039356 OJXWLLDSNXRTCO-UHFFFAOYSA-N 499.564 3.969 50 10 JHGE C/C(=C\c1ccc(Br)o1)C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C 1641592804 IMXRNOIOMREWIC-OUKQBFOZSA-N 458.353 3.678 50 10 JHGE O=S(=O)(NCCCCCCI)C1CC(OCc2ccccc2)C1 1977072730 USMOWTYTJKGJQA-UHFFFAOYSA-N 451.370 3.649 50 10 JHGE CN1CC[C@@H]([C@@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2031486953 ZXRYVOYELMKNPH-ONGXEEELSA-N 462.001 3.682 50 10 JHGE CC(C)(C)OC(=O)NCC1(F)CCC(CNC(=O)N2CCC(Br)CC2)CC1 2178645240 MSNVXDQCMALMHE-UHFFFAOYSA-N 450.393 3.979 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1cscc1Br 2314943311 PHYYOKRBPABTBT-UHFFFAOYSA-N 460.028 3.946 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC=C[C@@]1(C)CBr 2338671562 XBWCMLHJBYLZBK-LBPRGKRZSA-N 455.976 3.501 50 10 JHGE C[C@@]1(CNS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCC[C@H]1Br 2338832886 GSLNCWAVQTVLNA-NQIIRXRSSA-N 485.444 3.716 50 10 JHGE CC1(C)[C@@H](Br)CC[C@H]1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338833668 OXOJTSZRXLXIOL-ZWKOTPCHSA-N 485.444 3.715 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@H](CBr)C1 2338851150 CXMQMHLLYUXKGW-QGZVFWFLSA-N 485.444 3.670 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370320721 RBVHXTNTQHANLG-CAOSSQGBSA-N 465.369 3.867 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370320723 RBVHXTNTQHANLG-LVQVYYBASA-N 465.369 3.867 50 10 JHGE O=C(NNC(=O)c1ccc(OCCOc2ccccc2)cc1)c1ccc(NC(=O)C2CC2)cc1 14039506 JRDOBPHGMYQISF-UHFFFAOYSA-N 459.502 3.568 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)c(C)c1 14040896 CBLLRCHSCNOMHG-UHFFFAOYSA-N 475.545 3.941 50 10 JHGE CCCc1nc(N2CCCN(C(=O)CCCl)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37377275 HKQUZRSLNMZPID-UHFFFAOYSA-N 458.969 3.883 50 10 JHGE O=S(=O)(c1ccc(Br)cc1Cl)N1CCC(OCCBr)CC1 129786048 MYEVDGLSHKWULA-UHFFFAOYSA-N 461.603 3.667 50 10 JHGE CCOc1cccc(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)c1OC 169927919 BULLRNDRJROTMJ-YSMPRRRNSA-N 457.490 3.838 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1)Nc1ccccc1 254403855 QONJDAFZGJYCRQ-UHFFFAOYSA-N 466.497 3.946 50 10 JHGE Fc1cccc(CCl)c1-n1cnc(I)c1I 309171989 QGZKZWMYYIYTCU-UHFFFAOYSA-N 462.431 3.959 50 10 JHGE CO[C@]1(CBr)CCCN(C(=O)c2cc(Cl)ccc2I)C1 401896528 KLUTTXGVAWNQFG-AWEZNQCLSA-N 472.548 3.961 50 10 JHGE C[C@H](CBr)N(C)C(=O)c1ccc(I)c(Br)c1 721581422 XUGAWQJWZBRRGF-SSDOTTSWSA-N 460.935 3.909 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)c(-c2ccccc2)n1 917230478 HGXRRDXNDCCGOD-KGENOOAVSA-N 479.496 3.682 50 10 JHGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 1083906150 BBTKYYKFIMDNEB-UHFFFAOYSA-N 484.509 3.778 50 10 JHGE C=CC[C@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)C1 1146475839 ULXGJJPDGPHJFC-AMRJIULGSA-N 451.958 3.801 50 10 JHGE C=CCn1c(SCC(=O)NNc2ncncc2F)nnc1-c1ccc(Cl)cc1Cl 1468486967 FHBFQTCGOWZAHT-UHFFFAOYSA-N 454.318 3.602 50 10 JHGE C#CCCCC(=O)NNC(=O)[C@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1639192261 PIWXHIQCJAZXNL-DEOSSOPVSA-N 459.546 3.811 50 10 JHGE CCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858989064 JTYVKWGLYYKTPF-UHFFFAOYSA-N 460.581 3.619 50 10 JHGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C 1873792422 BZRIPAYXIOFTDU-VULFUBBASA-N 490.557 3.507 50 10 JHGE O=C(NCc1nnc(CBr)s1)c1cc(Cl)ccc1I 1877557264 AYMQDVWRKGWZQD-UHFFFAOYSA-N 472.533 3.621 50 10 JHGE O=S1(=O)CC[C@@H]([C@H](Br)c2sc(Cl)cc2I)C1 1900921015 ZUKXACPQLXGTHD-XRGYYRRGSA-N 455.564 3.877 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(F)c(CBr)c1 1924904378 PZNUYFVBDAOMKI-UHFFFAOYSA-N 483.359 3.785 50 10 JHGE COC(=O)[C@@H](Br)CNc1ccc(Cl)c(I)c1Cl 1945187993 MWPOHGGNXXOTSY-YFKPBYRVSA-N 452.901 3.946 50 10 JHGE C[C@@H](Br)CN1CCN(C(=O)c2csc(Br)c2Br)CC1 2113854755 VCCLITNYVTXVCS-MRVPVSSYSA-N 475.044 3.814 50 10 JHGE CN1CCN(Cc2cc(Cl)ccc2I)[C@@H](CCBr)C1 2138067464 RCKNIZBRMAZOIV-ZDUSSCGKSA-N 457.581 3.846 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc([N+](=O)[O-])c1Br 2181741303 MCCQWOLOKYJUBI-UHFFFAOYSA-N 480.406 3.993 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186716738 WQDZXKZVQKWPAI-OAHLLOKOSA-N 467.307 3.612 50 10 JHGE CO[C@@]1(CCl)CCCN(C(=O)c2ccc(Br)cc2I)C1 2207271466 IMFSTRVRBLVLET-CQSZACIVSA-N 472.548 3.914 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)Cc1ccc(Br)cc1 2226102992 WTPFOGOHCDBHMG-ZWNOBZJWSA-N 460.175 3.718 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@]1(C)CCN(C)C1)C(=O)OC(C)(C)C 2253331005 JSHDASUDFREVTP-QZTJIDSGSA-N 454.393 3.796 50 10 JHGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(Cl)c(I)c1 2283665014 SMTAHCPENVLYGY-GXSJLCMTSA-N 472.548 3.959 50 10 JHGE N#CC(=C(O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1nc(O)c2ccccc2n1 2297398552 AIHNNTDOUYYLDF-UHFFFAOYSA-N 455.451 3.662 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2ccc(Cl)cc2I)C1 2340068994 UMWGVDBUIHNLKN-WCBMZHEXSA-N 458.521 3.569 50 10 JHGE N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)c1 2343411024 ANHQKIWWYBNPEF-INIZCTEOSA-N 457.777 3.860 50 10 JHGE Clc1ccc(I)cc1CN1CCCN(CCBr)CC1 2352416876 AWFUUVWIGZAYIQ-UHFFFAOYSA-N 457.581 3.847 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CCC[C@@H](CBr)C1 2364032429 TXFAVEFPXIAUJN-BDAKNGLRSA-N 472.019 3.876 50 10 JHGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)c1 10283249 RWLRXNYMNJGNTK-UHFFFAOYSA-N 451.548 3.589 50 10 JHGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 10294863 SJFOWYLPMMZVKX-HNNXBMFYSA-N 463.987 3.849 50 10 JHGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)c1 10670992 KYTVZFAQIGSBSZ-INIZCTEOSA-N 451.548 3.732 50 10 JHGE CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(SC#N)c1C 14017385 VOFSSQRZPKBJLE-OAHLLOKOSA-N 493.632 3.846 50 10 JHGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 40929539 FKKDWOZBPPUPKL-LDADJPATSA-N 491.456 3.794 50 10 JHGE O=C(N/N=C1\C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cc(Br)ccc1O 59167592 DPOCNPHJRCWOTJ-GFMRDNFCSA-N 495.289 3.744 50 10 JHGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(F)cc3)c(C)c21 101593980 LEBLSEHUZDWAND-ZXVVBBHZSA-N 462.481 3.581 50 10 JHGE COc1ccc(/C=C(/C#N)C(=O)Nn2c(-c3cccc(OC)c3)nc3ccccc3c2=O)cc1 103451096 QLOXZNRQFWVWHY-RGEXLXHISA-N 452.470 3.758 50 10 JHGE COc1cc(C=NNC(N)=O)cc(I)c1OCc1ccc(Cl)cc1 254478336 TTYJDWYHUYGTAE-UHFFFAOYSA-N 459.671 3.534 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccncc3)nnc2-c2ccccc2)cc1 254733672 DCVNAINMTTVZJC-UHFFFAOYSA-N 458.547 3.970 50 10 JHGE COCc1cc(C)n(CC(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(=O)c1C#N 263628529 ASSXNTGLIIKQOM-UHFFFAOYSA-N 466.582 3.626 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)c2cc(Br)cc(Br)c2)C1 401659547 OSDAKVDMHITIOZ-CYBMUJFWSA-N 455.972 3.838 50 10 JHGE C[C@@H](Br)C(=O)Nc1cc(I)cc(I)c1 606301916 PNTJEZCQEOISNR-RXMQYKEDSA-N 479.881 3.618 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)cc1 1660118048 FQXKUQWRFZBFDW-SJLPKXTDSA-N 453.543 3.592 50 10 JHGE COc1ccc2c(c1)c(/C=N/NC(=O)CSc1nc3ccccc3s1)c(C(=O)O)n2C 1873496490 VMLUBLLMCKQPLM-LSHDLFTRSA-N 454.533 3.737 50 10 JHGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OC(=O)c1ccccc1 1873794904 IGBHEKKNQOIROQ-JHKMYFMNSA-N 467.522 3.764 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1893148263 MIVXKPHCUTZARI-KURKYZTESA-N 455.393 3.728 50 10 JHGE O=C(Cl)c1ccc(I)c(I)c1OC(F)F 2060169991 XXBAHHZOVXTMEF-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 2076257909 QIWMZFXIXKJYBB-OIBJUYFYSA-N 462.001 3.616 50 10 JHGE C[C@@H](Br)C[C@@H]1CCCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2089706759 FZYPCWGQCVQJAD-SJORKVTESA-N 485.444 3.811 50 10 JHGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)s1 2123241298 HOIDPXXOMYKCIX-QGZVFWFLSA-N 457.459 3.828 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@]2(NS(=O)(=O)c3ccc(CBr)cc3)CCC[C@@H]12 2162586210 FYOCENXCJRNUFF-VQIMIIECSA-N 459.406 3.792 50 10 JHGE CCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1CBr 2179785826 RBTCLDCWRNJPEG-KRWDZBQOSA-N 454.434 3.546 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1F)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188880990 BGODSZXBYUAIOF-MJGOQNOKSA-N 453.377 3.616 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)N[C@H](C)c1nnc(CBr)s1 2192613726 QMKYULYFRUIOES-RXMQYKEDSA-N 461.226 3.605 50 10 JHGE BrC[C@]12CCCO[C@@H]1CN(c1ncc(Br)cc1Br)C2 2230617986 JMXGTSINMPYJQM-YPMHNXCESA-N 454.988 3.987 50 10 JHGE COc1cc([C@@H](Br)c2cnn(C)c2I)c(OC)cc1C 2236787024 GJIZSDIQRJUINJ-CYBMUJFWSA-N 451.102 3.835 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)CC12CCCCC2 2241042081 XYFYZMBTWJVIMK-KRWDZBQOSA-N 497.455 3.955 50 10 JHGE Cc1ccc(B(O)O)cc1NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2269543450 GFIVTZLTRWIOAQ-AREMUKBSSA-N 486.377 3.567 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCC(Br)CC2)C(F)(F)CC1 2284582287 DTOAJISHGXXZKA-CQSZACIVSA-N 454.356 3.980 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC(F)(F)C2(CC2)C1 2294711967 ZZEIKVAHJGNTSL-UHFFFAOYSA-N 451.152 3.825 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CCN3CCC[C@@H]3C2)C1 2311404946 BRCQQPYJVPSIKC-MDZRGWNJSA-N 464.388 3.835 50 10 JHGE CC(C=Cc1ccccc1)=NNC(=O)CSc1nnc(-c2ccccc2Br)n1N 2313588983 AHLWZUCQMQYRRT-UHFFFAOYSA-N 471.384 3.719 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CSc1ccc(Cl)cc1 2314796094 XYRKONFAEOOPEH-UHFFFAOYSA-N 472.950 3.812 50 10 JHGE Cc1nc2scc(C)n2c1C=NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325903148 AKQNGFJBWGTFSG-RISCZKNCSA-N 468.608 3.620 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2CCc3nccn32)C1 2326869444 LFKLBZZECRAISJ-KBXCAEBGSA-N 461.344 3.592 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@H](CCCBr)C1 2364015901 UJUYZMPNHSBRFV-VIFPVBQESA-N 472.019 3.972 50 10 JHGE COC[C@@]1(CBr)C=CCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2379836234 FHGWWZYBSUMTIF-NSHDSACASA-N 465.616 3.505 50 10 JHGE Cc1cc(C)c(OCC(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)c(C)c1 59165647 XTJYJQFICAXPEA-ZZIIXHQDSA-N 472.501 3.966 50 10 JHGE C=CCn1cc(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cn1 59830000 DLORIPSUXSZJRN-VULFUBBASA-N 472.578 3.504 50 10 JHGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 217003846 XLDIXGYKVDUOLL-NXVVXOECSA-N 450.545 3.943 50 10 JHGE COc1ccc(C=NNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1CN1CCOCC1 252630218 UXHVLPMGXGQNAA-UHFFFAOYSA-N 468.941 3.908 50 10 JHGE COc1cc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 254498214 PMGOMWLLISGIKW-YEVXJFGPSA-N 497.636 3.766 50 10 JHGE Cn1ncc([C@@H](Br)c2cc3c(cc2Cl)NC(=O)C3)c1I 381927813 QKDMVANGJOWWDE-LBPRGKRZSA-N 466.504 3.657 50 10 JHGE C[C@H](Br)c1ccccc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703972599 FOLOSVCJDDKYEY-ZDUSSCGKSA-N 451.342 3.571 50 10 JHGE CC(=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1cccs1 1084011244 JWSSPNCGCMUQJR-UHFFFAOYSA-N 479.429 3.896 50 10 JHGE CCOC(=O)c1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858681936 RGGJLZZHWPKZGK-UHFFFAOYSA-N 498.423 3.934 50 10 JHGE CCOC(=O)c1c(NC(=O)CBr)sc(C(=O)OCCOc2ccccc2)c1C 1866000356 HMNLHHIVENIUAH-UHFFFAOYSA-N 470.341 3.802 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)cc1 1867068923 HDJWZQBCUSUKIJ-SFHVURJKSA-N 470.551 3.571 50 10 JHGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1ccc(Br)c(CBr)c1 1887894049 XJEFGCCXDMSWCJ-BXKDBHETSA-N 476.028 3.748 50 10 JHGE O=C(N[C@@H]1C[C@H]1CBr)c1ccc(Br)cc1I 1898112700 PSIKUYSIQCKHPQ-QUBYGPBYSA-N 458.919 3.567 50 10 JHGE CC(C)(C)OC(=O)NCC[C@H]1CCN(CCI)[C@@H](C(F)(F)F)C1 1900564345 GWVZNWIEPBCXQJ-NWDGAFQWSA-N 450.283 3.979 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@H](CBr)C2(CCC2)C1 1914491007 FFJPUSIHLRONAQ-NSHDSACASA-N 450.114 3.634 50 10 JHGE CCN1CCC[C@H]([C@H](Br)c2sccc2I)S1(=O)=O 2029061570 BJOCUVPTTLSNAW-ZJUUUORDSA-N 464.188 3.603 50 10 JHGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2088576141 SENDCHHJOFPJQI-SJORKVTESA-N 455.805 3.835 50 10 JHGE CN1CCC[C@H]([C@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2089513902 HMAGUQQTHJBMDA-VXGBXAGGSA-N 478.577 3.758 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CCBr 2090572755 PMENHFNPSXVCBU-CRAIPNDOSA-N 485.444 3.572 50 10 JHGE O=C(NC[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)C(F)(F)F)OCc1ccccc1 2106301083 GMKOJIYNAPAMHU-MRXNPFEDSA-N 450.866 3.561 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCO[C@@H](CCBr)C1 2116239419 SXNLTZUUVUPWMB-JTQLQIEISA-N 455.972 3.838 50 10 JHGE CCCNc1nc[nH]c(=NCCSSCCNC(=O)OC(C)(C)C)c1Br 2125301920 MEBJQBMUCJXOCF-UHFFFAOYSA-N 466.471 3.801 50 10 JHGE CCN1CC[C@@H]([C@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2142284682 GMHJRBXHJGIKNC-NWDGAFQWSA-N 478.577 3.758 50 10 JHGE CO[C@H]1C[C@H](Cl)CN(C(=O)c2ccc(Br)cc2I)C1 2142285381 OULCNNYSEKEKBU-UWVGGRQHSA-N 458.521 3.522 50 10 JHGE Oc1ncnc(N2CCC[C@]3(CBr)CCCC[C@@H]23)c1I 2165250460 URRAYRWMLKQWHR-YGRLFVJLSA-N 452.134 3.711 50 10 JHGE O=C(NCC#CCCBr)c1cc(I)ccc1Br 2213554551 KJQBOZKYTLJCOY-UHFFFAOYSA-N 470.930 3.572 50 10 JHGE ClCCc1nc2cncnc2n1-c1ccc(Br)c(I)c1 2235288037 VJAWMYBEGWOGKW-UHFFFAOYSA-N 463.504 3.964 50 10 JHGE Cc1c(CBr)cccc1NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2268335906 QDFOLZYXHCAODS-FQEVSTJZSA-N 483.359 3.656 50 10 JHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1B(O)O 2268642910 HGAIDMSOZNOLDV-HFJWLAOPSA-N 486.377 3.567 50 10 JHGE CC1(C)CO[C@H](CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2283662672 DFMQPWXPIPDVMN-SNVBAGLBSA-N 472.548 3.959 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(Br)c1OC(C)=O 2297551694 ZPICOYCIWOICNY-UHFFFAOYSA-N 478.230 3.976 50 10 JHGE O=C(c1cc(Cl)ccc1I)N(CCBr)C1CCOCC1 2381891702 ILSBCLNBSFHGSH-UHFFFAOYSA-N 472.548 3.961 50 10 JHGE O=C(NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1)c1ccc(Cl)cc1 10333990 KBEJJXGJEQOJGH-UHFFFAOYSA-N 453.951 3.911 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1 14654833 IEJGRHYDWINETK-UHFFFAOYSA-N 455.736 3.958 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 40870080 MXYDDHYQXCLWRD-DEDYPNTBSA-N 487.468 3.811 50 10 JHGE O=C(CNC(=O)c1ccccc1F)N/N=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 100409555 DLBCKUIVYTWFND-JBASAIQMSA-N 499.329 3.930 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2scnc2Cl)C1 721329399 JYUHMJFHGONYHF-QMMMGPOBSA-N 451.633 3.550 50 10 JHGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c(OC)c1 725401339 ZMFQJBQASXWQIC-UHFFFAOYSA-N 454.914 3.854 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc(OC(F)F)c(F)c2)cc1 920853882 GYSDTJZXJLXOES-GDNBJRDFSA-N 499.449 3.720 50 10 JHGE C#CCOc1ccccc1CNC(=O)NNC(=O)Nc1ccc(Br)cc1Cl 1227924831 QDSJORUYDREGPQ-UHFFFAOYSA-N 451.708 3.650 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681193 HHEIOQTWLCGDPX-OAQYLSRUSA-N 453.458 3.572 50 10 JHGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)nc3C)cc2C1=O 1865757997 DPVPYAHNJXYSAX-CQSZACIVSA-N 474.492 3.665 50 10 JHGE CC[C@H](C)[C@@H](CI)NC(=O)c1ccc(I)c(O)c1 2081236706 RDLFVCSXDCWEDY-GZMMTYOYSA-N 473.092 3.576 50 10 JHGE O=C(c1cc(I)sn1)N1CCC2(CCC2)[C@H](CBr)C1 2120028217 YRUMKWFGDBVWRC-SECBINFHSA-N 455.159 3.775 50 10 JHGE CCn1cc(S(=O)(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1CBr 2179784928 FXOWQSZCYMBPQF-SJORKVTESA-N 454.434 3.686 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)Cc1ccccc1Br 2226097677 VNUXSZIWPOANBK-GXFFZTMASA-N 460.175 3.718 50 10 JHGE COc1cc(F)c([C@@H](Br)c2nn(C)nc2Br)cc1Br 2226973551 ZZYBZTWCDGQSQJ-SECBINFHSA-N 457.923 3.972 50 10 JHGE CN(Cc1ccc(I)cc1)S(=O)(=O)[C@H]1CC[C@H](CBr)C1 2280263626 ZBDHQAKMHYCXSX-JSGCOSHPSA-N 472.186 3.616 50 10 JHGE CC1(C)C[C@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338851418 FEFQGNARWZQQGO-MRXNPFEDSA-N 485.444 3.668 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361446513 NHHCARWWRIYORS-SVRRBLITSA-N 457.131 3.990 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CCBr 2364214831 PKBDWPGFROGOKE-QZTJIDSGSA-N 499.471 3.916 50 10 JHGE Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)NN=Cc2cccc(Br)c2)o1 8456067 ABCXJIGKWRYVEV-UHFFFAOYSA-N 466.679 3.921 50 10 JHGE aggregator O=C(Cn1ccc2ccccc21)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10324947 XMZGZQAJOUHXTC-UHFFFAOYSA-N 472.570 3.599 50 10 JHGE Cn1cc(Br)cc1C(=O)NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 12393479 RHBIPJDOWYKEGM-UHFFFAOYSA-N 455.523 3.588 50 10 JHGE CCOC(=O)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2cccc3ccccc23)cc1 33566422 NPIRUJWJBMHVPG-QINSGFPZSA-N 477.542 3.542 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38683434 YYDPXIBRODUZAO-VWLOTQADSA-N 486.480 3.684 50 10 JHGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)COc2ccc(C3CCCCC3)cc2)c2ccccc21 59167585 GCXOIXMEFPGOOY-URGPHPNLSA-N 476.577 3.506 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1cc(OC)ccc1OC 59261139 ARYJMISCBGLRDC-CIRUFVMISA-N 480.594 3.724 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 59384197 AEAIFSBCOQZIHZ-NUYDQDRBSA-N 464.334 3.845 50 10 JHGE O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 59506889 YSUHAXOUZIYUID-CVKSISIWSA-N 466.335 3.795 50 10 JHGE C[C@H](Br)[C@@H](C)NC(=O)c1cc(I)ccc1Br 387000057 LWUKFGAOCISZIX-NKWVEPMBSA-N 460.935 3.955 50 10 JHGE O=S(=O)(c1ccc(CCl)cc1Br)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 705901967 BEFNFHINFUMRMU-QZTJIDSGSA-N 469.832 3.940 50 10 JHGE CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)cc2)cc1 934063256 DICLKDOGGPWCPL-NZQKXSOJSA-N 473.620 3.540 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(C#N)cc1 1084335919 GMFMGJOOKWAKRU-UHFFFAOYSA-N 451.118 3.921 50 10 JHGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)c1C#N 1084553213 XFBNIJPHNPJIAW-UHFFFAOYSA-N 474.517 3.525 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(I)c(Cl)c2)c1 1637295284 UFLHNWDZVGFBQV-UHFFFAOYSA-N 455.708 3.557 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743577 CDTLHEKNILRHDN-UHFFFAOYSA-N 482.899 3.926 50 10 JHGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3sc(Cc4ccccc4)nc3C)cc2C1=O 1865845849 VTAXMNOQVNFLTH-CQSZACIVSA-N 476.558 3.512 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 1866606053 GPVNKXHUIBKDQQ-QFIPXVFZSA-N 489.553 3.645 50 10 JHGE Cc1ccc2[nH]c(C(=O)O)c(/C=N/NC(=O)COc3ccc(C(=O)NC4CCCCC4)cc3)c2c1 1873497538 VZOWRODMDOJKDO-MZJWZYIUSA-N 476.533 3.766 50 10 JHGE NC(=O)[C@H](Br)Cc1cc(Br)c(Br)c(Br)c1 1931649467 DZCLWQXMMKXHQF-SSDOTTSWSA-N 464.777 3.765 50 10 JHGE COC(=O)Cc1ccc(CBr)c(OC(F)(F)F)c1I 2055370765 KCBZZMWFCDKVIL-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE Cn1c(=O)oc2cc([C@@H](Br)c3cc(I)sn3)ccc21 2120033720 UJNSVCVGHSSPFY-LLVKDONJSA-N 451.083 3.677 50 10 JHGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2131197465 IXYDEEQLXFRLTB-IRXDYDNUSA-N 455.443 3.846 50 10 JHGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1CBr 2179857585 BJSPXMFCIVZCEM-GOSISDBHSA-N 454.386 3.960 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1CCBr 2230677242 CBXNXSYWKSDUAW-UHFFFAOYSA-N 479.396 3.688 50 10 JHGE C[C@@H]1[C@@H](Br)CCN(C(=O)c2c(Br)c(Br)nn2C)[C@@H]1C 2344524063 SISDIZRPVQUOKK-RNJXMRFFSA-N 457.992 3.579 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2355845357 NBYIDJPCSBGPFT-HKBOAZHASA-N 455.462 3.868 50 10 JHGE CCOCCOc1cccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 10216391 ZWJVUYXREJYSNT-UHFFFAOYSA-N 487.350 3.858 50 10 JHGE Cc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3ccccc3C)c3ccccc3n2)cc1 17198364 LGGUWVPJPYBHLV-UHFFFAOYSA-N 452.514 3.710 50 10 JHGE COc1cc(/C=N\NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)ccc1OCc1ccccc1 33343519 OQTZKUVJOUNCIN-PPDIBHTLSA-N 476.558 3.813 50 10 JHGE CCCCCOc1ccc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 40514778 PRVANNCNJBAXIS-XSFVSMFZSA-N 454.523 3.810 50 10 JHGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCCOC)cc1OC 206990441 BYQSGJOIFXQXCR-WPCKRRSASA-N 489.528 3.666 50 10 JHGE Cn1cccc1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 254400004 JCYGZSBJWRNEOF-UHFFFAOYSA-N 477.615 3.907 50 10 JHGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 254475600 SSPICQXKSBMMOW-UHFFFAOYSA-N 473.514 3.845 50 10 JHGE COc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OC 254589392 OZJSBTQWWAMEAO-UHFFFAOYSA-N 462.531 3.601 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)c1 727501102 HHVBQFCERUOQMJ-NXVVXOECSA-N 476.583 3.712 50 10 JHGE O=C(NNC(=O)c1sccc1S(=O)(=O)C(F)F)c1ccccc1OCc1ccc(F)cc1 730955970 AGLXKRBARIQBJB-UHFFFAOYSA-N 484.477 3.537 50 10 JHGE COc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cccc(Br)c3)c2C)cc1 1084044396 QRNDNMMNTYRJTD-UHFFFAOYSA-N 469.339 3.954 50 10 JHGE Cc1cc(C=NNC(=O)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Br)cc1 1084080057 QOEDUCCVNUPVAE-UHFFFAOYSA-N 453.340 3.623 50 10 JHGE COc1ccccc1C=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 1084087069 CEJJMTVGNKRJDC-UHFFFAOYSA-N 457.939 3.694 50 10 JHGE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(CBr)cc1 1260505768 PCUUWPLXROALES-UHFFFAOYSA-N 461.422 3.849 50 10 JHGE CS(=O)(=O)c1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc1 1614619210 SHBNRJBCTZQHER-HKUYNNGSSA-N 455.361 3.741 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698229 NWTTVSXDEUWQQB-QHCPKHFHSA-N 479.496 3.932 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OC(=O)c1ccccc1 1865704920 HYGSBXNXUIOHLR-KRWDZBQOSA-N 470.407 3.885 50 10 JHGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 1873793255 FZVCCRSDNYXPJZ-QIWJOQEQSA-N 461.540 3.595 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1897166185 KTKFBTUESMLVLZ-RBUKOAKNSA-N 480.447 3.788 50 10 JHGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1960074754 UBRRFBNSNYVXJO-WZONZLPQSA-N 480.989 3.860 50 10 JHGE CCN1CCC[C@@H]([C@@H](Br)c2cccc(I)c2)S1(=O)=O 2089533711 ASOCNVYUFDFYNI-STQMWFEESA-N 458.159 3.541 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC(C)(C)[C@@H]1CBr 2129315151 RDEHVIPETQEYHT-KRWDZBQOSA-N 485.444 3.524 50 10 JHGE CN([C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2163058317 JMQXKPDEXBFZJU-RDJZCZTQSA-N 461.422 3.895 50 10 JHGE CN(CC[C@H](Br)c1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 2168111453 CVCVSMDLUNFQEO-FQEVSTJZSA-N 453.402 3.590 50 10 JHGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CCBr)cc2)CCN1Cc1ccccc1 2179774051 BTKMDMAOYVDJNO-GOSISDBHSA-N 451.430 3.909 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[C@H]1Br 2221685048 ZRZQRMXWZFWDRF-NWANDNLSSA-N 476.209 3.785 50 10 JHGE COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)NNC(=O)C(c1ccccc1)c1ccccc1 2313682511 DXEIICKOKGGZFS-UHFFFAOYSA-N 482.540 3.679 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2CCc3nccn32)C1 2326870480 LFKLBZZECRAISJ-KSSFIOAISA-N 461.344 3.592 50 10 JHGE Clc1ccc(CN2C[C@H]3COC[C@@]3(CBr)C2)cc1I 2337217770 ATAOKVMHBZEQBQ-SMDDNHRTSA-N 456.549 3.788 50 10 JHGE CC1(C)CC[C@@H](CBr)N1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843887 WQNZZFBZAUGFFJ-INIZCTEOSA-N 485.444 3.811 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361462296 HYEJMRZXFNPZES-NKWVEPMBSA-N 457.131 3.990 50 10 JHGE CC(=NNC(=O)COc1ccc(I)cc1)c1ccc(Br)cc1 1216422 URPZCROTCKWODT-UHFFFAOYSA-N 473.108 3.973 50 10 JHGE O=C(Oc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@@H](O)c1ccccc1)c1cccc(Br)c1 3661585 JXXQYDBEOMGDTA-AFEQLLIESA-N 498.289 3.760 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 12492169 VJCHGDGMJCTJMG-UHFFFAOYSA-N 452.854 3.884 50 10 JHGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 14029900 SNUPMLSVUSUZGF-UHFFFAOYSA-N 468.291 3.554 50 10 JHGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 14035341 XQUVMHQCQAGHEV-UHFFFAOYSA-N 451.548 3.589 50 10 JHGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccccc4)cc3OC)nc2s1 33248222 FYGHUPQPPIANPO-BOPFTXTBSA-N 487.541 3.847 50 10 JHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1)c1nc3cc4c(cc3nc12)OCO4 33808804 HTTQFFHYXVQGKQ-RPBOFIJWSA-N 478.936 3.802 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1nccs1 35520045 JVYSSTNZJFLORW-BKAYVGFPSA-N 462.531 3.954 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 38683424 ARXOQJXHMBPIKG-JOCHJYFZSA-N 471.425 3.819 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OC(C)=O)cc2Br)cc1 58894198 KSTNEDULJNQCHM-HTAGGTJDSA-N 493.354 3.746 50 10 JHGE CCC(CBr)(CBr)NC(=O)c1ccc(I)c(O)c1 232860312 LZKQLGGJLCGWSN-UHFFFAOYSA-N 490.961 3.665 50 10 JHGE COC(=O)c1ccc(C=NNC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1 254531905 RPOJCVSDSJEWBK-UHFFFAOYSA-N 486.572 3.568 50 10 JHGE CCOc1cccc(-c2c(C(=O)NN=C(C)c3cccc4ccccc34)nnn2-c2nonc2N)c1 254571221 UTXZIVKFJVHKKV-UHFFFAOYSA-N 482.504 3.605 50 10 JHGE O=C(NCC1(CBr)CCOCC1)c1cc(Cl)ccc1I 700912183 YENWGYKISCUWFY-UHFFFAOYSA-N 472.548 3.866 50 10 JHGE CO[C@@](C)(CBr)CNC(=O)c1cc(I)ccc1Br 705404898 LQEBQUYNCKVDIZ-LBPRGKRZSA-N 490.961 3.584 50 10 JHGE O=C(CCOc1ccccc1)NNC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 727228043 KQQKJDQSCJDQBZ-UHFFFAOYSA-N 469.545 3.898 50 10 JHGE O=C(NNc1ccc(F)c(F)c1F)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 727759568 FDHPBYJOBKJKHU-UHFFFAOYSA-N 493.463 3.823 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1cccnc1Cl 729344248 DGIUMHSDWNVJJO-OKSBFYSISA-N 474.908 3.990 50 10 JHGE O=C(NNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccccc1OCc1ccc(F)cc1 754717273 NNZBNTUYJGBVFI-VWLOTQADSA-N 477.517 3.795 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1 919992683 OFKPQJNARYBJBD-UHFFFAOYSA-N 472.475 3.821 50 10 JHGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1S(=O)(=O)c1ccccc1 1084247907 CLADLWFBOKOXKF-UHFFFAOYSA-N 450.545 3.638 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 1084247926 MNESAOCPSQZYNT-UHFFFAOYSA-N 493.585 3.601 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)CCc2ccc3c(c2)OCO3)cc1 1084641939 MNQKIOFRYSMKMO-UHFFFAOYSA-N 466.515 3.574 50 10 JHGE Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)NNC(=O)c2ccc(Br)cc2)C1 1322350155 OPGGWLZJYNPTNG-AWEZNQCLSA-N 465.779 3.881 50 10 JHGE C/C(=C\C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccccc1C(F)(F)F 1624039173 VNMPDDQFIJFKOW-WYMLVPIESA-N 458.440 3.861 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(C)c(Br)c(F)c2)cc1 1625592461 LXOLBMTZBMFASM-LBPRGKRZSA-N 452.280 3.719 50 10 JHGE CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215488 ZBTHAQOQGKJSTF-NBVRZTHBSA-N 478.480 3.759 50 10 JHGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)nn1C 1915310099 WWBHNUZNROIPPJ-CQSZACIVSA-N 479.238 3.793 50 10 JHGE O=C(Nc1cc(I)cc(I)c1)C1CC(Cl)C1 1991697024 RSSRRQLXGYAJLN-UHFFFAOYSA-N 461.468 3.852 50 10 JHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C#N)CC1 2010277654 XJEVZCNHKWHWEK-HOYKHHGWSA-N 461.562 3.817 50 10 JHGE COC1CC(CBr)(NC(=O)c2csc(Br)c2Br)C1 2077902860 UTEABLRHBCKMGB-UHFFFAOYSA-N 462.001 3.945 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC=C[C@H]2CBr)cc1Br 2119850079 WIYCXAJBWLQPJA-VIFPVBQESA-N 474.012 3.844 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2132365118 NRRQLWSZEBZEBE-GDBMZVCRSA-N 459.793 3.676 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@H]2CCC[C@@](CBr)(C2)C1 2134968250 NNFAOZXUXWKJQK-ZANVPECISA-N 455.159 3.775 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201762162 FCKQMTCACQNRRH-IINYFYTJSA-N 467.983 3.980 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@]2(C[C@H](Cl)CO2)C1 2207266271 CCNCICZOOLIBKJ-HZMBPMFUSA-N 470.532 3.666 50 10 JHGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@@H](CCl)O1 2207272839 PSNZOTAETKUPSU-SNVBAGLBSA-N 472.548 3.912 50 10 JHGE CC(C)(C)CCN(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2274152563 LUKXKWHPLGSJII-UHFFFAOYSA-N 487.460 3.772 50 10 JHGE Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](CBr)CO2)cc1I 2279404606 AXJVBVKMLYFNER-AAEUAGOBSA-N 452.130 3.520 50 10 JHGE C[C@H]1COCCN1CCO[C@@H](CI)c1ccccc1Br 2285515067 DBNXHFCOQVQBIB-WFASDCNBSA-N 454.146 3.663 50 10 JHGE CC(C)(C)OC(=O)NCC(C)(C)C1CCN(CCOCCI)CC1 2306805663 WEQAKRHPOIVWJL-UHFFFAOYSA-N 454.393 3.701 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1[C@H]1CC[C@@](C)(CI)O1 2307437648 VGQMPPXEIGFFEP-KEYYUXOJSA-N 451.345 3.775 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@H]1[C@H]2CBr 2312104204 NSMJPLWOAPCWTA-INNHCVQGSA-N 484.957 3.909 50 10 JHGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C(C)=C(C#N)C1=O 2314617859 BYTICEACLCXJDD-UHFFFAOYSA-N 498.539 3.795 50 10 JHGE CC[C@@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1Cc1ccccc1 2325591884 SRKBFCDHBOIRGE-XXBNENTESA-N 483.700 3.990 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)C[C@@]1(CBr)CC1(F)F 2351892851 VDHISFLSQMYWPA-JTQLQIEISA-N 465.962 3.797 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CC2(CC[C@H](CBr)O2)C1 2361998046 YWUAEOLGQOTNIF-SECBINFHSA-N 467.983 3.980 50 10 JHGE CC1(C)CCC[C@]1(CCl)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364216315 ZVTGTNQDJJCDSU-JOCHJYFZSA-N 455.020 3.950 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2364231521 ZVWJDPRWJMVXBB-DJLDLDEBSA-N 470.003 3.581 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)/C=C/c1cccs1 13979347 FBLAHWHMDQYCTO-SNAWJCMRSA-N 474.174 3.821 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14666918 ZLMADEQFSLACFN-UHFFFAOYSA-N 462.344 3.907 50 10 JHGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 38659747 AUMJTISKOJSFPO-SANMLTNESA-N 488.496 3.915 50 10 JHGE COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O 97729933 JVFYLRGWSXEPFC-WYMPLXKRSA-N 468.853 3.979 50 10 JHGE CC(=O)Nc1ccc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 254297142 NEAQQMITPPDROK-UHFFFAOYSA-N 470.938 3.863 50 10 JHGE O=C(NN=Cc1ccccc1OCc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 254630746 MEKNVUNLMFNRMA-UHFFFAOYSA-N 457.515 3.873 50 10 JHGE Cn1ncc(Br)c1[C@H](Br)c1cc2c(cc1Br)NC(=O)C2 693085285 VYSIELXWFZRTGZ-GFCCVEGCSA-N 463.955 3.924 50 10 JHGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CCC(C)C)c1 727349250 XUGCOLMMQPCODU-UHFFFAOYSA-N 463.987 3.919 50 10 JHGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC#N 1083987668 SKSLZOPANJXLJS-GOSISDBHSA-N 460.328 3.714 50 10 JHGE CC(=O)N1C[C@H](C(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)Oc2ccccc21 1155427215 HPZRQSSTOPJDHB-OAHLLOKOSA-N 457.701 3.614 50 10 JHGE Cc1c(C(=O)NC2CCCC2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747053 KNEWCFKJJVFMHI-UHFFFAOYSA-N 459.344 3.888 50 10 JHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H]2CCCCO2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867247202 AHLXBKGJUYKENN-JTHBVZDNSA-N 481.574 3.810 50 10 JHGE O=C(NCCCI)c1csc(Br)c1Br 1930628002 OAHBXEKYIRHKCH-UHFFFAOYSA-N 452.937 3.828 50 10 JHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1scc(Br)c1Br 2036673837 QOPSBJDXIXTVEO-RQJHMYQMSA-N 462.001 3.945 50 10 JHGE CCN1CC[C@@H]([C@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2089524075 RUGOSTMBKDSNSJ-NWDGAFQWSA-N 478.577 3.805 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2097817539 ZYXXKHPUVMPGRA-ZYSHUDEJSA-N 483.428 3.563 50 10 JHGE O=C(N[C@H](CBr)c1cccs1)c1cc(I)ccc1O 2119041042 XLZJUBCOXYMCLO-SNVBAGLBSA-N 452.111 3.924 50 10 JHGE Cn1nc([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)cc1Br 2150479474 VVBLGMYPBVNWLZ-ZDUSSCGKSA-N 463.955 3.924 50 10 JHGE O=C(c1cccc(I)c1)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2163353595 QAJIFLFXOJSSQS-KOLCDFICSA-N 462.047 3.937 50 10 JHGE CCN1CCC[C@H]([C@H](Br)c2cc(I)ccc2F)S1(=O)=O 2169659933 XNMPFKYTJLEWSE-CHWSQXEVSA-N 476.149 3.680 50 10 JHGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)ccn1 2179818096 VIRUDEPPAOEJNC-IEBWSBKVSA-N 453.402 3.981 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(S(=O)(=O)c1occc1CBr)C2 2179829489 BKSOEYOALSWZGO-PMACEKPBSA-N 453.402 3.707 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1cc(CBr)co1)C2 2179834915 NVXNTFGAPZUYEW-WOJBJXKFSA-N 453.402 3.707 50 10 JHGE O=C(N[C@@]12CC[C@@](CCl)(C1)OC2)c1ccc(Br)cc1I 2207265476 RMDAFKNTJFQWTA-KBPBESRZSA-N 470.532 3.714 50 10 JHGE ClC[C@]12CCCO[C@H]1CN(c1ncc(I)cc1Br)C2 2230628418 YCZXCIFGOPNASX-AAEUAGOBSA-N 457.537 3.673 50 10 JHGE CC[C@@](C)(CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1ccc(B(O)O)c(C(F)(F)F)n1 2240321809 NDZJOGBPEYZMDE-QFIPXVFZSA-N 482.308 3.765 50 10 JHGE COc1ccc(CCNC(=O)C(C#N)=C2N=C(NC(=O)c3cccs3)c3ccccc32)cc1 2296532748 VCCGQFJXGMRRHV-UHFFFAOYSA-N 456.527 3.540 50 10 JHGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 2314785982 YVGTWKIFPHQDEL-UHFFFAOYSA-N 489.528 3.500 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2338834654 ZUXQTBFBZVWIEQ-ZYSHUDEJSA-N 483.428 3.563 50 10 JHGE CC(F)(F)C[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338852757 RRJXUODVUYINBD-CQSZACIVSA-N 495.386 3.571 50 10 JHGE O=S(=O)(N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21)c1cc(Br)ccc1Br 2354925716 LMZRLERPDFODPB-CKIYVRPFSA-N 488.039 3.909 50 10 JHGE CCc1nc(C(=O)NCC(F)(F)C(F)(F)CI)c(Br)s1 2361679951 RRGZLHMAHMGMQH-UHFFFAOYSA-N 489.070 3.903 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@]2(CNS(=O)(=O)c3ccc(CBr)cc3)CC[C@H]1C2 2363622889 IXOVPAIWSWCMHK-KXBFYZLASA-N 459.406 3.649 50 10 JHGE Cc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c1 12500769 JMTZSXWCLYRZBA-UHFFFAOYSA-N 472.364 3.625 50 10 JHGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 14645666 UJPFUIBLFAWIOS-UHFFFAOYSA-N 480.315 3.622 50 10 JHGE C[C@H](C(=O)NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)N1C(=O)c2ccccc2C1=O 40844455 CSALWBZOHOMSOT-QGZVFWFLSA-N 479.577 3.611 50 10 JHGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(I)c2)cc1 59335302 JLQLPUUGEPGZQI-ZSOIEALJSA-N 462.243 3.609 50 10 JHGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3CCC[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1 229852347 YIPPELVACFSUGT-MKYLKIGJSA-N 462.575 3.886 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1cc(Cl)ccc1I 235594385 IZMJCZYENQNTDT-WCBMZHEXSA-N 458.521 3.569 50 10 JHGE C[C@H](Br)C(=O)c1c(I)cccc1I 307314667 VMUMEAVALQUDRP-YFKPBYRVSA-N 464.866 3.862 50 10 JHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(SC)cc2)cc1 725394577 TVTMBIMRYMUAHH-UHFFFAOYSA-N 497.642 3.801 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 725426431 MOJNBNDLFOGFQR-UHFFFAOYSA-N 455.511 3.570 50 10 JHGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3cc(Br)cn3C)cc2)cc1 1349085185 MPZHZSKCRWGMKE-UHFFFAOYSA-N 456.296 3.857 50 10 JHGE CC(=O)CCc1ccc(O[C@H](C)C(=O)NNc2ccccc2I)cc1 1471615424 IJVXBFRQKHTJIN-CQSZACIVSA-N 452.292 3.723 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745591 BVXJPRDCISFOTO-UHFFFAOYSA-N 482.899 3.926 50 10 JHGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OC)c(O)c3Br)nc2c1 1872727710 VCQIYHBUBJTCCL-KPKJPENVSA-N 456.252 3.663 50 10 JHGE Cc1ccc2[nH]c(C(=O)O)c(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)c2c1 1873793234 DXMPZCNLZLZZRI-MOYYISEASA-N 464.522 3.761 50 10 JHGE CO[C@@H]1C[C@H](NCCSSCCNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1903203663 QZTIQWRPNRNDHY-JKSUJKDBSA-N 465.682 3.507 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](Br)[C@H](Br)C1 1910007355 RKTNZZGPEUGYLG-HTQZYQBOSA-N 493.364 3.927 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2csc(Br)c2Br)C1 2032954176 YFAMBPMJHYTKLV-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2179818462 ZYFFNNTUODRENJ-ROUUACIJSA-N 453.402 3.626 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(S(=O)(=O)c1cc(CBr)co1)C2 2179834914 NVXNTFGAPZUYEW-PMACEKPBSA-N 453.402 3.707 50 10 JHGE Cn1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 2293972398 NPXBZQNPQPLOAO-UHFFFAOYSA-N 466.497 3.828 50 10 JHGE CC(C)N(C[C@H]1CCCN(CCOCCI)C1)C(=O)OC(C)(C)C 2306804193 GHCHSKXUHKZFEG-INIZCTEOSA-N 454.393 3.796 50 10 JHGE Clc1ccc(I)cc1CN1C[C@@H]2CCO[C@]2(CBr)C1 2352416247 SHCYNVQIYZXHTB-SMDDNHRTSA-N 456.549 3.930 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)CC2(CCC2)C1 2364230795 QRDZERRCIISBNT-QMMMGPOBSA-N 470.003 3.725 50 10 JHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccccc2C)c(C(C)C)cc1Br 13976500 PFFOLYXCANHIDH-UHFFFAOYSA-N 478.412 3.904 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 13981180 CJPXWFDVSWANDW-UHFFFAOYSA-N 464.385 3.595 50 10 JHGE CCCOc1ccc(/C=C(/C#N)C(=O)OCCCNC(=O)c2cc3ccccc3oc2=O)cc1 33745833 XCFSLZLFEXOADI-HKWRFOASSA-N 460.486 3.852 50 10 JHGE COc1ccccc1NC(=O)NNC(=O)COc1c(Br)cc(F)cc1Br 39891984 QNBCXSXOSOCYDU-UHFFFAOYSA-N 491.111 3.591 50 10 JHGE CN(CCCBr)C(=O)c1cc(Br)ccc1I 232018919 NZPQZCLUTGVGME-UHFFFAOYSA-N 460.935 3.911 50 10 JHGE O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)NNC(=O)c1ccccc1 727896891 NIVFJNZEZWSFHB-UHFFFAOYSA-N 474.448 3.524 50 10 JHGE COc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1OC 1083968583 GMYZVIKHUBQUNS-UHFFFAOYSA-N 472.133 3.758 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1OCn1cccn1 1084059279 ZKLWYBOWWJITNS-UHFFFAOYSA-N 469.501 3.944 50 10 JHGE Cc1nc2ccc(Br)cn2c1C(=O)NN=Cc1cc2c(cc1Br)OCO2 1084527935 RTMNGVWDLKOZRY-UHFFFAOYSA-N 480.116 3.660 50 10 JHGE CCN(CC)c1c(C=NNC(=O)c2ccc(N3CCCC3=O)cc2)c(C)nn1-c1ccccc1 1084609365 SCPVTIOCGOGJIW-UHFFFAOYSA-N 458.566 3.918 50 10 JHGE O=C(CCCC[C@H]1CCSS1)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1860191797 HDJYOGJAQJVKJH-YJBOKZPZSA-N 470.060 3.639 50 10 JHGE O=C(CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)NCCCBr 1865888750 VUVATVHLTCMJPG-UHFFFAOYSA-N 462.942 3.797 50 10 JHGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n1 1868253458 ICLQHCSHRDINFE-QHCPKHFHSA-N 478.553 3.799 50 10 JHGE C[C@H](CCBr)NC(=O)c1ccc(Br)cc1I 1995285641 IXUDHGIDAMQFJP-SSDOTTSWSA-N 460.935 3.957 50 10 JHGE O=S(=O)(NC[C@@H](Br)CBr)c1c(Cl)cccc1Br 2005149314 BNJANDXUYVBGHN-LURJTMIESA-N 470.408 3.539 50 10 JHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCC(Br)CC2)C1 2025231228 CWXGUDCDMSGMER-FQEVSTJZSA-N 495.462 3.677 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCN3CCC[C@@H]3C2)CC1 2078758905 MMNOIJHFEGFCKH-HZPDHXFCSA-N 464.388 3.835 50 10 JHGE O=C(OCc1ccccc1)N1CCC(F)(CNS(=O)(=O)c2ccc(CCl)cc2)CC1 2162589746 UEKNPGZOWXQJQT-UHFFFAOYSA-N 454.951 3.845 50 10 JHGE COc1cccc2c1O[C@H](C)C(C=C(C#N)C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)=C2 2314450682 LIMHNVVTUIURPL-QGZVFWFLSA-N 456.502 3.746 50 10 JHGE C[C@@H](Br)CCCN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316815401 NKYAHFJCHATXNE-MRXNPFEDSA-N 473.433 3.668 50 10 JHGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccccc1C(F)(F)F 2324305526 ZBOJSNYWHSDXIG-UHFFFAOYSA-N 458.440 3.598 50 10 JHGE C[C@H](Br)[C@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2338675641 XZWGEJFWNVERCV-JGVFFNPUSA-N 457.992 3.723 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CBr)cn1 2338943376 DLTRYNGNGIKTOI-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE Cc1ncnc(N2CC[C@H](Br)C[C@H]2C(F)(F)F)c1I 2339897715 HVPVKSIZMDKIHX-YUMQZZPRSA-N 450.040 3.684 50 10 JHGE CCn1ncc(I)c1-n1c(CCl)nc2cc(Br)cnc21 2381982978 ZZXQYMXGRYBQCW-UHFFFAOYSA-N 466.508 3.743 50 10 JHGE CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 4340380 YNNURTVKPVJVEI-XWRGVIDISA-N 455.378 3.736 50 10 JHGE biogenic COc1cc(C(=O)N/N=c2/scc(-c3ccc(C)cc3)n2C(=O)CCl)cc(OC)c1OC 8770094 YOWALAAMJWSNBD-YYDJUVGSSA-N 475.954 3.676 50 10 JHGE CCOc1cc(C=NNC(=O)c2nn(C)cc2Br)ccc1OCc1ccccc1 13108600 CXUFZARXOLYECH-UHFFFAOYSA-N 457.328 3.924 50 10 JHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 14768950 OYYAFCHUPNIKNI-DEOSSOPVSA-N 476.529 3.914 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OC 38658765 SUSGHMHWKJJCRA-VWLOTQADSA-N 488.496 3.915 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(Nc2nc3ccc(C)cc3s2)c1[N+](=O)[O-] 40650512 BZPKQKIYWHOXPJ-UHFFFAOYSA-N 451.468 3.812 50 10 JHGE COc1ccc(N2CCN(C(=O)COC(=O)/C(C#N)=C\c3cc(C)n(CCC(C)C)c3C)CC2)cc1 97657919 LTAPHMWSEDVUCB-ULJHMMPZSA-N 492.620 3.959 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 206430835 XTNVNSPZILWECM-ZDLGFXPLSA-N 492.484 3.757 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1)NC[C@H]1CCCO1 1083913555 TYGYYQGXBIPXKW-RUZDIDTESA-N 471.557 3.643 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)c1 1644838292 QRSTVGOKUGIVLE-IFMALSPDSA-N 478.618 3.711 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749140 HSVNWOAOTIWEBW-UHFFFAOYSA-N 494.935 3.552 50 10 JHGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c21 1772749791 RWTAJXHHVVHSQC-UHFFFAOYSA-N 460.534 3.922 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 1860774428 WJYZEKBADBJUKW-UAGKAUTFSA-N 473.942 3.856 50 10 JHGE COC(=O)Cc1c(OC(F)(F)F)ccc(CBr)c1I 2055366795 YTLOUSPURZWMEO-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC[C@H]1CCBr 2090572758 PMENHFNPSXVCBU-YJBOKZPZSA-N 485.444 3.572 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179827473 FUTFJPFMKUQODS-UHFFFAOYSA-N 453.402 3.851 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179828655 SHDQGXUBVARHMY-RTBURBONSA-N 453.402 3.850 50 10 JHGE CC1(C)OCCO[C@@H]1[C@H](Br)c1cc(I)cc2c1OCC2 2186764350 HKTVGUXWUIHQFL-TZMCWYRMSA-N 453.114 3.856 50 10 JHGE CN1CC[C@](C)(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 2253330589 CUVRZYDCOJSBGX-KRWDZBQOSA-N 452.377 3.550 50 10 JHGE ClC[C@@H]1CC[C@H]2CN(c3ncc(I)cc3Br)C[C@H]2O1 2273665475 RCKQNVGLIAQQID-PTOFAABTSA-N 457.537 3.671 50 10 JHGE O=C(NCC12CC(CBr)(CO1)C2)c1ccc(Cl)c(I)c1 2283663266 FUSRVYIQOSSWIK-UHFFFAOYSA-N 470.532 3.619 50 10 JHGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CN2CCN(c3cccc(Cl)c3)CC2)cc1OC 2325051649 XKDLNDDKUZBXPF-QGZVFWFLSA-N 454.958 3.764 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCN(Cc2ccccc2)CC1 2325587786 IGQOEJQWHDXQHL-HSZRJFAPSA-N 483.700 3.992 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CCC[C@H](Br)C1 2338691257 QAGOIQBHJHGNHN-YUMQZZPRSA-N 457.992 3.629 50 10 JHGE C[C@H](Br)CC(C)(C)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338833671 PAVUTFIWBHBZTR-INIZCTEOSA-N 487.460 3.962 50 10 JHGE CN([C@H]1CCCC[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338848944 BPYDFJZILODDHH-MOPGFXCFSA-N 485.444 3.811 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2C[C@H](Cl)CC[C@H]21 2364215233 JCWGCRDNQBAKOG-SQGPQFPESA-N 453.004 3.655 50 10 JHGE O=C(NNC(=O)c1ccccc1)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 33400722 CSZWRCOOPZOANB-HKWRFOASSA-N 464.319 3.681 50 10 JHGE O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3cccc(Cl)c3)sc2=O)c1 33959589 IUPOHESUICAXJU-LSFURLLWSA-N 450.303 3.727 50 10 JHGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1)CC3 39881714 GDUZPGYCAXVRAM-UHFFFAOYSA-N 483.484 3.921 50 10 JHGE O=C(CCCCCCCC(=O)NNc1ccccc1[N+](=O)[O-])NNc1ccccc1[N+](=O)[O-] 59498225 LOOIBXYSCWKPML-UHFFFAOYSA-N 458.475 3.820 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N3CCOCC3)c(Oc3ccc(Cl)cc3Cl)nc12 102851335 KXSIOYWTMSQGCG-PTNGSMBKSA-N 485.327 3.868 50 10 JHGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OC 206502609 FSHWLWDFUMWMMG-HDGFSFRLSA-N 494.544 3.781 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1cc(C(=O)OC)ccc1C(=O)OC 217240684 ZXUGXJCNWWMOPY-ICFOKQHNSA-N 479.489 3.675 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H](CBr)O1 230051988 MCDDDLKIPJFIAF-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 254617363 NJFQERYSORMDLA-UHFFFAOYSA-N 479.558 3.606 50 10 JHGE O=S(=O)(N[C@H]1COCC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 711031601 DIGPIXMIEKGXJC-XVKPBYJWSA-N 467.994 3.587 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)n1-c1ccc(F)cc1 914739658 DPGXDAMPHKRJEW-XSFVSMFZSA-N 474.496 3.792 50 10 JHGE Cc1cc(C)n(Cc2cccc(C(=N)NOCC(=O)NN=C3C[C@H]4CC[C@@]3(C)C4(C)C)c2)n1 1087953015 WYQGGWXHGKPALA-CJFMBICVSA-N 450.587 3.713 50 10 JHGE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C 1525049897 GUNKWVWGJBZYBK-BKUYFWCQSA-N 452.507 3.788 50 10 JHGE O=S(=O)(N[C@@H](CCBr)C(F)F)c1cc(Br)ccc1Br 1918539157 UAGKAFMKRHFAMW-QMMMGPOBSA-N 485.970 3.909 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC[C@H](OCCCl)C1 2109048372 VVZLJCKARQTHEY-JTQLQIEISA-N 458.521 3.524 50 10 JHGE C[C@]1(CCl)COCCN1C(=O)c1ccc(I)c(Br)c1 2112707876 JMMCOTZUFXQJLI-ZDUSSCGKSA-N 458.521 3.524 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)CCC12CCC2 2117901488 BAQYFPSBDWBZOF-MRXNPFEDSA-N 483.428 3.565 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2143979387 WVXAJQZTOBALTN-XWIASGKRSA-N 450.114 3.775 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CCl)C[C@H]2OCC[C@H]21 2146685875 QRYARMLTLJXXCC-ZWKOPEQDSA-N 470.532 3.665 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC(OCCBr)C1 2152287667 JKWYAUMCTBSBER-UHFFFAOYSA-N 467.994 3.540 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(CC2(CBr)CCOCC2)CC[C@H]1C(F)(F)F 2163059525 UKCVUQUEQQQWNW-KGLIPLIRSA-N 459.347 3.956 50 10 JHGE C[C@H](Cl)COCc1cn(-c2ccc(I)cc2Br)nn1 2278372881 MCMCUFNPEMPMDK-QMMMGPOBSA-N 456.509 3.778 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2279522578 OKEQMBYPGCJIHB-SQGPQFPESA-N 497.455 3.811 50 10 JHGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCCCS(=O)(=O)c1ccccc1 2303450357 SCUJACXOMZNKKQ-OAHLLOKOSA-N 450.354 3.690 50 10 JHGE O=C(NCCC#CCBr)c1ccc(I)c(Br)c1 2303679685 CZFDWUFSYMKSNB-UHFFFAOYSA-N 470.930 3.572 50 10 JHGE O=C(C=Cc1cccs1)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 2313620239 ZKSUBOXQCVCOPL-UHFFFAOYSA-N 471.391 3.509 50 10 JHGE CCOc1ccc(CCNC=C(C#N)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1OCC 2325045534 UZSUTRRUSWFDFP-SFHVURJKSA-N 467.566 3.918 50 10 JHGE CC(C)[C@@H]1C[C@](C(=O)O)(N(C)C[C@H]2C[C@H]2Br)CN1C(=O)OCc1ccccc1 2325645972 BNYJDZKSESDIGN-WIRSXHRWSA-N 453.377 3.592 50 10 JHGE CC(F)(F)C[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338852756 RRJXUODVUYINBD-AWEZNQCLSA-N 495.386 3.571 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2355845381 NYIHRKUDNQIRGX-HKBOAZHASA-N 455.462 3.868 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Cl)CC2(CCC2)C1 2364215495 UOGCQMAUPIBDHW-KRWDZBQOSA-N 453.004 3.656 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 2379035781 ATWPKDMTCLSEAC-DCGLDWPTSA-N 455.340 3.581 50 10 JHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 9826140 IYGZWNVUFMXZRW-UHFFFAOYSA-N 463.559 3.718 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14660479 UKYSBLBTOFKMLC-UHFFFAOYSA-N 492.395 3.750 50 10 JHGE COC(=O)CCc1c(C)nn(-c2ccc(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1C 14847457 YJVKTUOKMDHYTE-UHFFFAOYSA-N 476.577 3.967 50 10 JHGE Cc1ccccc1NCc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1-c1ccccc1 59811760 OLJMYDYDUZGTFW-UHFFFAOYSA-N 472.574 3.741 50 10 JHGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/NC(=O)Nc1ccccc1Br 103646394 NWPMQOOPZPJPBR-NBVRZTHBSA-N 479.334 3.906 50 10 JHGE O=S1(=O)CC[C@@H](Oc2c(Br)cc(CBr)cc2Br)C1 232484880 PFJMTGMCJRROLR-MRVPVSSYSA-N 462.985 3.672 50 10 JHGE COc1c(CBr)ccc(I)c1I 307405951 CAZBECWCEPRDJT-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE CN(C)S(=O)(=O)CCC(CBr)(CBr)c1ccc(Br)cc1 380597401 MRLKYVZGEZXJAY-UHFFFAOYSA-N 492.071 3.758 50 10 JHGE C[C@@H](Cl)C[C@H]1CCCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703966228 DLUAXDNLVMKQEC-IAGOWNOFSA-N 455.020 3.901 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)OC)c(Cl)c2)cc1 725384568 FRMBRTLVRWCTSM-LJQANCHMSA-N 483.348 3.908 50 10 JHGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)NCc2cn3ccc(C)cc3n2)cc1OC 919991031 AEGYNPAESMAZSB-NDENLUEZSA-N 495.543 3.660 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1 1084142110 FOSLUZLRZYTJFH-UHFFFAOYSA-N 464.503 3.740 50 10 JHGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CNC(=O)c1ccccc1 1865759628 KCEBPTUUKWEBMP-UHFFFAOYSA-N 457.317 3.555 50 10 JHGE COc1ccc(-c2ccc(C(=O)N/N=C(/C)c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)c(C)n2)cc1OC 1865763245 BSRUHPCDJZCYPD-LAWDAALWSA-N 488.544 3.972 50 10 JHGE Cn1nc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1ccco1 1867240312 NOADGHIMDJKUMQ-HXUWFJFHSA-N 487.541 3.939 50 10 JHGE N#C/C(=C\c1ccccc1)C(=O)NC1=C(c2nc3ccccc3s2)C(=O)CN1C[C@H]1CCCO1 1873711300 OBWQRMPWEOQXTE-HJDVLLJCSA-N 470.554 3.752 50 10 JHGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(OC(=O)c4ccc(F)cc4)cc3)ccc12 1873792730 MAGOKFNUCJZVKQ-CCVNUDIWSA-N 474.444 3.989 50 10 JHGE O=C(NCCOCCCI)c1c(Br)cccc1Br 2042199865 CGBROBWXKGCWBY-UHFFFAOYSA-N 490.961 3.783 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CC[C@@H](OCCBr)C1 2046758336 PLEIGWRRVQATIY-SSDOTTSWSA-N 462.001 3.899 50 10 JHGE O=C(NCC[C@@H]1COC[C@H]1Br)c1cc(Br)ccc1Br 2111281243 ZIFBNRHFGYVRMF-PRHODGIISA-N 455.972 3.741 50 10 JHGE Cc1cc(C(=O)N2CCSC[C@@H]2CCBr)ccc1I 2142142098 BWIGXNDKCMPYDP-LBPRGKRZSA-N 454.171 3.942 50 10 JHGE CC1(C)[C@H](CCl)OCCN1C(=O)c1cc(I)ccc1Br 2159645200 WRLXECYPNQAMAA-LBPRGKRZSA-N 472.548 3.912 50 10 JHGE O=S(=O)(c1ccc(CCCBr)cc1)N1CCCN(Cc2ccccc2)CC1 2179857569 BEKOZOIYPMZOQU-UHFFFAOYSA-N 451.430 3.911 50 10 JHGE C[C@@H](CO[C@H](CI)c1ccc(Br)cc1)N1CCOCC1 2186733696 QEHANFWPOWANQL-SWLSCSKDSA-N 454.146 3.663 50 10 JHGE C[C@]1(Br)CN(S(=O)(=O)c2cc(CCl)oc2Br)C[C@@]1(C)F 2205656464 ULETWXXDNATWLP-WDEREUQCSA-N 453.555 3.667 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCO[C@@H]2C[C@@H](Cl)C[C@@H]21 2207263545 YVFWDTVKEKUCRT-TVYUQYBPSA-N 470.532 3.665 50 10 JHGE CC1(C)OCCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CCl 2282811432 UXGXFBYAUCWUMW-LBPRGKRZSA-N 472.548 3.912 50 10 JHGE N#CC(=C1Nc2ccccc2S1)c1nc(C#N)c(C#N)nc1N1CCN(c2ccccc2)CC1 2293202156 LMTXULPNYWKZON-UHFFFAOYSA-N 462.542 3.957 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC 2313617082 BWFQBFMYKWPCPJ-LBPRGKRZSA-N 498.388 3.513 50 10 JHGE O=S(=O)(NCCSCCCBr)c1c(Cl)cccc1Br 2335637306 HIXSXUKMPPGGBU-UHFFFAOYSA-N 451.633 3.899 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCCC[C@@H]1Br 2338852224 MENRXCUMNBXOPF-LPHOPBHVSA-N 485.444 3.716 50 10 JHGE Cc1nn(C)c(N(C)Cc2c(Br)c(Br)nn2C)c1CBr 2364334383 WCSLFSDVVMSVIG-UHFFFAOYSA-N 470.007 3.518 50 10 JHGE CCCCN1C(=O)CC[C@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)[C@@H]1c1ccccc1OC 22698923 VDLWZSJIWQXQNT-CPJSRVTESA-N 476.577 3.728 50 10 JHGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1O 59484799 RGQZEXJVAILHBG-WUXMJOGZSA-N 479.230 3.849 50 10 JHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601529 MBQIOXKZVWVXEU-OVVQPSECSA-N 494.935 3.795 50 10 JHGE COC(=O)c1ccc(CN/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1 217254356 GHHGBBVHJJQBJS-VBKFSLOCSA-N 475.286 3.522 50 10 JHGE CC[C@H](CBr)NC(=O)c1cc(I)ccc1Br 234003091 PIPXXRCBSARZDC-MRVPVSSYSA-N 460.935 3.957 50 10 JHGE CC(=NNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccc(F)cc1 252629928 UQLYCZWJWKADFZ-UHFFFAOYSA-N 465.856 3.804 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(OC)cc1 254757697 ATMSPNNBMSIRES-UHFFFAOYSA-N 492.484 3.571 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2cccc(SC)c2)cc1 920848613 FXXXTQAWEFBXGF-SFQUDFHCSA-N 461.547 3.702 50 10 JHGE O=C(NN=Cc1ccccc1C(=O)O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 1084343844 YHSKVECKCZNMKX-XMMPIXPASA-N 459.527 3.923 50 10 JHGE CN1C(=O)C(=NNC(=O)CSCc2ccc(Cl)cc2)c2cc(Br)ccc21 1084387010 UWCZILJMSLARTR-UHFFFAOYSA-N 452.761 3.833 50 10 JHGE C=CCN(CC(=O)NNC(=O)c1cccc(Cl)c1)Cc1cc(Br)ccc1F 1644504305 ICHGDJYARSNWNZ-UHFFFAOYSA-N 454.727 3.691 50 10 JHGE C=CCC[C@@H](NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 1653911696 WQZSOAITZJUTBE-GOSISDBHSA-N 450.417 3.672 50 10 JHGE Cc1cc(Br)c(NS(=O)(=O)CI)c(Br)c1 1910154114 KRSKUJJWAKMVCI-UHFFFAOYSA-N 468.936 3.654 50 10 JHGE Cc1c(I)ccc(C(=O)CBr)c1I 2060167492 QMCOBOFABUCYMQ-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE O=C(NC[C@]1(CBr)CCCO1)c1cc(Br)sc1Br 2073633025 YLAZFXMZMFBPPK-LLVKDONJSA-N 462.001 3.947 50 10 JHGE C=C(CBr)CCNS(=O)(=O)c1cc(Br)ccc1Br 2076224558 AZTUJHMHJCXDPV-UHFFFAOYSA-N 462.001 3.831 50 10 JHGE CC1CCC(CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2089707518 OQGJJJICVNODMW-UHFFFAOYSA-N 485.444 3.716 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC=C[C@H](Br)C2)cc1Br 2108818305 YIXBTHFKNRHWST-VIFPVBQESA-N 474.012 3.844 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(I)ccc2Br)C[C@H]1Cl 2130815907 BZGCITQDHKMUMF-XXILOJSOSA-N 458.521 3.568 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(I)c(O)c2)CC[C@H]1CCBr 2172474201 MTIKARRTDGFFKZ-GHMZBOCLSA-N 452.130 3.880 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c1CBr 2179795253 PQUFAFCXRNNFSP-ROUUACIJSA-N 453.402 3.686 50 10 JHGE O=S(=O)(C(F)F)C1CN(c2c(CBr)ccc(Br)c2Cl)C1 2206692473 WXWFDSJASZSAAM-UHFFFAOYSA-N 453.530 3.823 50 10 JHGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1cc(I)ccc1O 2208039060 IOXSNBRHYBPBMT-LSDHHAIUSA-N 450.114 3.682 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@@H]2[C@H](CBr)NC(=O)OC(C)(C)C 2241735868 WILUIWXMMSWZPE-QRJUGERDSA-N 463.413 3.841 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H](I)C1 2252831348 LMLPCSAUOJPOPI-LLVKDONJSA-N 472.946 3.790 50 10 JHGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCC(=O)O)c(I)c2)cc1 2313567642 JLQLPUUGEPGZQI-UHFFFAOYSA-N 462.243 3.609 50 10 JHGE CCOc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314620558 QNPNVHADGWTPFN-UHFFFAOYSA-N 474.513 3.820 50 10 JHGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc3c(C)cc(=O)oc3c2)c(OC)c1 2314728829 MRWYSXNFHMNHDS-UHFFFAOYSA-N 463.442 3.565 50 10 JHGE CCOc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1C 2328808930 ZMVMBAJTFYIMDK-UHFFFAOYSA-N 486.528 3.539 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCC[C@@H](CBr)C1 2338862296 WPSZYSPPFXSFIW-HTQZYQBOSA-N 457.992 3.629 50 10 JHGE NNC(=O)CCCCCCOCc1ccc(I)c(Br)c1 2377640515 UGVNQXNKXQAEJB-UHFFFAOYSA-N 455.134 3.511 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c(C)n1-c1ccc(F)cc1 11458284 FXDMGRHVVMXYKU-XDHOZWIPSA-N 472.476 3.669 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc([N+](=O)[O-])c(C)c1 33376352 LNLMUHRBSJUSGD-WOJGMQOQSA-N 491.456 3.713 50 10 JHGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 48573501 CMUJTQVEWHBGEG-STBIYBPSSA-N 489.528 3.583 50 10 JHGE C=CCc1cccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2CC=C)c1O 58988431 KQUBESRWWZHVRY-YZSQISJMSA-N 461.591 3.926 50 10 JHGE CCOc1cc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1O 254711658 QBGLRQHYCVQTDT-UHFFFAOYSA-N 462.531 3.688 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCS[C@@H](CCl)C1 720058396 AQCHSCRBMMYHSL-VIFPVBQESA-N 460.562 3.850 50 10 JHGE C[C@H](Oc1ccccc1Br)C(=O)NN=Cc1cc2c(cc1Br)OCO2 1083921993 AIXZWLSSODXGFX-JTQLQIEISA-N 470.117 3.858 50 10 JHGE C=C1CCC(CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)CC1 1558259547 AIEQNYPSAFYXFK-UNOMPAQXSA-N 451.958 3.848 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)C1CCOCC1 1684031635 RTNQITSETCIPHL-RUZDIDTESA-N 457.530 3.791 50 10 JHGE O=C(O)/C=C/C(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742858 ZVONKAKMGPYHCB-NCUWATKCSA-N 459.687 3.804 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743882 KWXMRHKCUITRLS-UHFFFAOYSA-N 482.899 3.926 50 10 JHGE COCCCNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744094 SNXVSAGOTAPKFZ-UHFFFAOYSA-N 462.344 3.587 50 10 JHGE COc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCC(=O)Nc1ccc(C)cc1C 1873794601 QJSMEZVODYAGDS-JYSLEBDSSA-N 498.580 3.693 50 10 JHGE O=C(NC[C@]1(CBr)CCCO1)c1ccc(I)c(Cl)c1 1879604124 GHHSMPUAQAZSRT-CYBMUJFWSA-N 458.521 3.619 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@]2(CCC[C@@H](CI)O2)CC12CCOCC2 1949510062 FBEPDJLIJQVQNO-KBXCAEBGSA-N 451.345 3.919 50 10 JHGE CN(CCCBr)C(=O)c1ccc(Br)cc1I 1995285037 GNHMXFUJJBLJCJ-UHFFFAOYSA-N 460.935 3.911 50 10 JHGE O=C(CBr)c1c(I)ccc(I)c1S 2060154759 BYOSNJCJSNIQDU-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H]1[C@H]2CBr 2082885503 YLZKRGDWTQLTNR-VHRDEZTHSA-N 484.957 3.909 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 2130820415 GIUUMJYTYQETAC-JFUSQASVSA-N 455.972 3.882 50 10 JHGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1ccc(CBr)c([N+](=O)[O-])c1 2132052700 FVKVJTLDUCDTKK-UHFFFAOYSA-N 455.268 3.514 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178080973 BAUNPSTUCPDPPG-WLTAIBSBSA-N 467.983 3.694 50 10 JHGE CCn1cc(S(=O)(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)cc1CBr 2179774539 GDUZWHZQBWEOTN-SFHVURJKSA-N 454.434 3.688 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1F)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179775626 NECHTOUMEPGKSM-HDICACEKSA-N 453.377 3.758 50 10 JHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)o1 2313617488 KXOJFIJXZGRROB-UHFFFAOYSA-N 488.363 3.618 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)C=Cc3cccc(OCc4ccccc4)c3)c(=O)c2c1C 2318792668 CQIHNEQDEFPVOZ-UHFFFAOYSA-N 488.569 3.515 50 10 JHGE Brc1cc(CN2C[C@H](Br)[C@@H]3COC[C@H]32)ccc1I 2325223098 WAVNMICXLRDGRT-XHVZSJERSA-N 486.973 3.648 50 10 JHGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccccc1[N+](=O)[O-] 12583827 BGRNUKQHGLVTKK-QGMBQPNBSA-N 457.078 3.649 50 10 JHGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 13977027 CREVFALIMOESDO-UHFFFAOYSA-N 479.356 3.604 50 10 JHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1Br 13978987 RMKODSDZJBNSEJ-UHFFFAOYSA-N 478.412 3.770 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(C(=O)OCC(C)C)cc2)c1[N+](=O)[O-] 40649907 PQYLOIRUTBSOJL-UHFFFAOYSA-N 480.481 3.707 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OC(C)=O)cc2Br)cc1 58894195 KSTNEDULJNQCHM-RIMPEIONSA-N 493.354 3.746 50 10 JHGE COc1ccc(C(=O)NC2=N/C(=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)c3ccccc32)cc1 102673525 OLQRSPNTIPLQKS-LRDZBDLTSA-N 450.498 3.997 50 10 JHGE O=S(=O)(NC[C@H](Br)C1CC1)c1cc(Br)ccc1Br 136654538 PEXSGWBBNVJVQR-JTQLQIEISA-N 462.001 3.663 50 10 JHGE CC1(C)C[C@H](N=C=O)C[C@](C)(CNC(=O)Nc2[nH]nc3c2CCN(C(=O)OC(C)(C)C)C3)C1 170290062 BTSLPASDXGJNKK-WNSKOXEYSA-N 460.579 3.745 50 10 JHGE CC[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 233872194 PIPXXRCBSARZDC-QMMMGPOBSA-N 460.935 3.957 50 10 JHGE COc1nn([C@H](C)C(=O)NN=C(C)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] 252620765 MLQBAFISQNDRSE-CQSZACIVSA-N 484.900 3.807 50 10 JHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3C)cc2)cc1 254569979 ZLYAAGKEFRRPFE-UHFFFAOYSA-N 473.529 3.883 50 10 JHGE COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 726523459 SNMBWKSDZBRSKX-UHFFFAOYSA-N 460.465 3.653 50 10 JHGE O=C(NCc1ccc(OCc2ccccn2)cc1)NNC(=O)c1cc(F)ccc1Br 728749321 GFAFGSHYOAOMPX-UHFFFAOYSA-N 473.302 3.706 50 10 JHGE O=C(CN1CCOCC1)NN=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12 1084170561 WLWAVPPBZHWRNL-UHFFFAOYSA-N 482.378 3.964 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=Cc1ccccc1F)S(=O)(=O)c1ccccc1 1084291163 AQGYKSJSBLMMKC-UHFFFAOYSA-N 455.511 3.570 50 10 JHGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(F)cc1Br 1543267804 VLTFUTSPFOIMSB-HNNXBMFYSA-N 458.328 3.599 50 10 JHGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 1563205724 ZWCTYGNWUGTQPZ-LLVKDONJSA-N 454.708 3.925 50 10 JHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)CC1 1772743850 MBYXWEPLDNGPMW-UHFFFAOYSA-N 471.941 3.737 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc(OC)c1OC 1865691969 GMEGAYUVOAYRCK-OAQYLSRUSA-N 450.470 3.623 50 10 JHGE C[C@@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866583894 KMWVOWDTXFHOAY-OAHLLOKOSA-N 452.561 3.981 50 10 JHGE CN(C)S(=O)(=O)C[C@@H](Br)c1cc(Br)c(Br)s1 1936584163 STDUAWPWBZJJBF-ZCFIWIBFSA-N 456.019 3.601 50 10 JHGE O=C(NCCOCCCI)c1cc(Br)c(Br)s1 1997684171 SPAAIDWCHWVPAS-UHFFFAOYSA-N 496.990 3.845 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNc1nc(C(=O)O)ccc1Br 2061262777 UEVWODICRVUQDB-UHFFFAOYSA-N 452.396 3.860 50 10 JHGE CCN(C[C@](C)(CI)O[C@H]1C2CCN(CC2)[C@@H]1C)C(=O)OC(C)(C)C 2077344107 SAOAHRZVUDGTPM-OGWOLHLISA-N 466.404 3.936 50 10 JHGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 2179857781 DYNLBNDTUMUTLE-HNNXBMFYSA-N 455.393 3.924 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1ccc(I)c(Cl)c1 2206483066 ASMJXYZKORMWGE-VXGBXAGGSA-N 470.532 3.759 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[C@H]1Br 2221680077 NRQKOAUCXMAJOA-CFVMTHIKSA-N 476.209 3.785 50 10 JHGE O=S(=O)(Cc1ccsc1Br)N1CC[C@H](Br)C(F)(F)CC1 2234498537 VUDPKHKMUOPCNT-VIFPVBQESA-N 453.168 3.835 50 10 JHGE O=S(=O)(Nc1ccc(Cl)c(I)c1Cl)N1CCC(Cl)CC1 2240602873 CDFYVHMDYXNEQG-UHFFFAOYSA-N 469.559 3.958 50 10 JHGE C[C@@H]1COCCN1CCO[C@@H](CI)c1ccc(Br)cc1 2285505995 FRRSKPJQMCQUHX-DOMZBBRYSA-N 454.146 3.663 50 10 JHGE COc1ccc(Br)cc1C=NNC(=O)COc1ccc(C(=O)NCc2ccccc2)cc1 2321698129 JKNIWUMTTJXPSI-UHFFFAOYSA-N 496.361 3.917 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CCl)C2 2364213273 FYZMJVPUYCOBHO-BCDXTJNWSA-N 453.004 3.655 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 38683731 QXAVTLWLZZGPRR-JOCHJYFZSA-N 471.425 3.819 50 10 JHGE O=C(N[C@H]1CCCN(CCBr)C1)c1ccc(Cl)cc1I 2365585706 DOUIFXLSJLZVPS-NSHDSACASA-N 471.564 3.534 50 10 JHGE CCOc1c(Br)cc(/C=N/NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1OC 40960864 FYTGTHTVJHTACG-AEOXGOBCSA-N 451.317 3.783 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=S)Nc1ccccc1)CCC2 40825268 XTUCBUSSGJZFSW-KOEQRZSOSA-N 465.535 3.591 50 10 JHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@H]2CCC[C@H]21 2367698492 LBDXAQHLBXODMB-SJORKVTESA-N 459.406 3.744 50 10 JHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccccc1)CCC2 40815972 GYEVBYCBZXHDBY-VFCFBJKWSA-N 489.528 3.887 50 10 JHGE COc1cc(C=NNC(=O)c2c(-c3ccccc3)noc2C)cc(I)c1O 252622337 NSYVQZSLBQUIBA-UHFFFAOYSA-N 477.258 3.733 50 10 JHGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@H]1CO 256681958 JGELYOCTJSVMRL-FGTMMUONSA-N 469.618 3.749 50 10 JHGE O=C(NNC(=O)c1cc(F)ccc1Br)c1cccc(OCc2cscn2)c1 728548538 HWTJUFANXUMFSY-UHFFFAOYSA-N 450.289 3.699 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(CS(N)(=O)=O)c2)c(C)n1-c1ccc(F)cc1 749218530 CHWXCEYEXBBVIV-UNOMPAQXSA-N 452.511 3.567 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc3nc(O)[nH]c3c2)c(C)n1-c1ccc(F)cc1 786604927 BZCIWHOOFPSPAU-YVLHZVERSA-N 473.464 3.904 50 10 JHGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccs1 1084363277 RFIRVNHFXUQUSA-UHFFFAOYSA-N 478.393 3.856 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Cl)cc(OC)c1OC 1084391694 PGJSXFQLMXWEQD-UHFFFAOYSA-N 457.708 3.657 50 10 JHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)c1C 14649035 QUGQYJXDXMSLTN-UHFFFAOYSA-N 484.405 3.870 50 10 JHGE O=C(NN=Cc1cccc(Br)c1)c1ccc(Cn2cc(Br)cn2)o1 15989811 XWEBCWAZGLYOIK-UHFFFAOYSA-N 452.106 3.813 50 10 JHGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865713976 AEQYMTFJGXAKRJ-NRFANRHFSA-N 464.497 3.964 50 10 JHGE COc1cccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 1872744359 OIOMRLVILBBAAH-SDXDJHTJSA-N 462.443 3.816 50 10 JHGE CC(C)(C)[Si](OC[C@H]1CCCN1CCCOCCC(=O)O)(c1ccccc1)c1ccccc1 2080742018 HKMCHJVOJGSGIV-HSZRJFAPSA-N 469.698 3.909 50 10 JHGE CO[C@@](C)(CBr)CNC(=O)c1ccc(Br)cc1I 2086150968 IKMPFQDZMOWMBU-LBPRGKRZSA-N 490.961 3.584 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC([C@H](F)CBr)C1 2110587293 SEUAQJWLEVKHOZ-SNVBAGLBSA-N 479.991 3.565 50 10 JHGE CCOc1ccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1Br 2323702023 YJXLAHSEXALGBW-UHFFFAOYSA-N 459.275 3.913 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCCC[C@@H]1CCBr 2338690380 GYBBKDYAHXPEDR-MRVPVSSYSA-N 457.992 3.725 50 10 JHGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1 10296042 SPIDRQQAJNXTLV-GFCCVEGCSA-N 450.358 3.576 50 10 JHGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510854 SJWKRMPTJLAZFC-UHFFFAOYSA-N 483.977 3.676 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-] 40648275 WIWVDUVYFGTJHM-UHFFFAOYSA-N 459.260 3.656 50 10 JHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825304 PMAKJSLMGUTHPS-ZXVVBBHZSA-N 475.574 3.619 50 10 JHGE COC(=O)c1c(NC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)sc2c1CCCC2 40844763 GENUWTMQTZIJGJ-DNTJNYDQSA-N 497.327 3.945 50 10 JHGE C=CCOc1c(I)cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc1OC 58887413 DKHUGBALZAOODK-UEIZDATPSA-N 494.329 3.829 50 10 JHGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1cc(I)ccc1O 236571407 QTKVVCYAPDFGKR-GHMZBOCLSA-N 452.130 3.928 50 10 JHGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1OC 254758222 GLQUTCIIXLZTKQ-UHFFFAOYSA-N 474.546 3.589 50 10 JHGE Nc1ccc(O)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382703101 DJJGQLVUVKWDIK-YOEHRIQHSA-N 452.292 3.762 50 10 JHGE CC1(C)CC[C@H](CBr)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703968191 ZHEFQHFQVJKBTG-OAHLLOKOSA-N 485.444 3.524 50 10 JHGE C[C@H](Br)Cc1cn(-c2ccc(I)cc2Br)nn1 709378287 XUFUOOXKOBAPKM-ZETCQYMHSA-N 470.934 3.960 50 10 JHGE CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1c(F)cccc1F 727293368 VJXGLOOKGUYQFR-NRFANRHFSA-N 485.462 3.711 50 10 JHGE O=C(NNC(=O)C1CCN(c2ncccn2)CC1)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 728847692 LGMLCMRNEKISDO-CJLVFECKSA-N 479.943 3.874 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 746181447 CBUHINGHDPCNJW-UHFFFAOYSA-N 472.519 3.532 50 10 JHGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2)c1C)S(C)(=O)=O 1084371109 CSJFEPYFVBOOIV-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2cc(-n3cccc3)ccc2F)cc1 1115974978 GNQSMFLPCDDBCT-RGEXLXHISA-N 498.518 3.910 50 10 JHGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 1540266775 FAZZHVTZKANHJN-UHFFFAOYSA-N 458.474 3.684 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)cc(O)c(C)c2O)cc1OC 1565517947 CYCLSAOZOJMGBY-NCKUZSSMSA-N 489.528 3.653 50 10 JHGE O=C(NC[C@H]1C[C@H]1Br)c1ccc(I)c(Br)c1 1897147925 AVKNXSTZOBHRBH-HTQZYQBOSA-N 458.919 3.567 50 10 JHGE C[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1914352984 LBJSBNWERBVDKU-SFHVURJKSA-N 462.999 3.912 50 10 JHGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 1955760169 BZOFSKQGJVTNPP-HXUWFJFHSA-N 467.429 3.808 50 10 JHGE O=C(N[C@H](CCl)C(F)(F)F)c1cc(Br)ccc1I 2030009694 XEADOZPSIULSCD-MRVPVSSYSA-N 456.427 3.953 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C(CBr)[C@H]2C1 2030275564 QMJGPWACVZGQHI-NXEZZACHSA-N 484.957 3.767 50 10 JHGE O=S(=O)(N[C@@H]1CC[C@@H](Br)C1)c1cc(Br)ccc1Br 2057793022 OCGKDAOGYQGBLQ-VXNVDRBHSA-N 462.001 3.806 50 10 JHGE O=C(N[C@@H](CCBr)C(F)(F)F)c1cc(I)ccc1F 2113354614 ZSAXRAXSIQTHFF-VIFPVBQESA-N 453.999 3.876 50 10 JHGE C[C@@H](CBr)N1CCN(C(=O)c2cccc(Br)c2Br)CC1 2169366852 RGDIPCSYNXOVAG-JTQLQIEISA-N 469.015 3.753 50 10 JHGE O=S(=O)(Cc1ccc(Br)cc1)NCCCCCCI 2226108554 LXOPARYECHDBML-UHFFFAOYSA-N 460.175 3.864 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)[C@@H](Br)C1 2248236755 HWOUPGOPJORLBX-YUMQZZPRSA-N 493.364 3.927 50 10 JHGE O=C(NC[C@H]1CC[C@H](CCl)CO1)c1cc(Br)ccc1I 2279395902 LBVULIGJMKJYCV-MWLCHTKSSA-N 472.548 3.818 50 10 JHGE N#CC(=Cc1cccc(Cl)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2329684347 RYWMFLIHJUYKDK-UHFFFAOYSA-N 466.346 3.560 50 10 JHGE NNC(=O)c1ccc(CSc2cc(I)ccc2Br)o1 2338339089 IXLZINQGRKKHRV-UHFFFAOYSA-N 453.099 3.543 50 10 JHGE CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14023406 XGZLNSCWXMDBSF-INIZCTEOSA-N 455.736 3.795 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1Br 14647765 KVBCMOAMRBFTBS-UHFFFAOYSA-N 464.385 3.506 50 10 JHGE O=C(NNC(=O)c1cc(Cl)sc1Cl)c1ccccc1NS(=O)(=O)c1cccs1 16178518 PTVZYSYGZQLMFJ-UHFFFAOYSA-N 476.388 3.992 50 10 JHGE C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(I)c1 20311493 OLHANECDRHTFTR-VSMYLPJWSA-N 473.108 3.971 50 10 JHGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1 33716709 KDKNDYORFACIRR-CYVLTUHYSA-N 452.507 3.902 50 10 JHGE Cc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1Cl 59147227 KDOMFRJBDWVWMJ-AUEPDCJTSA-N 486.872 3.796 50 10 JHGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1NNC(=O)c1cccc2ccccc12 101569744 GBNPHCXCNFHOBS-UHFFFAOYSA-N 463.501 3.879 50 10 JHGE CCS(=O)(=O)CCOc1c(Br)cc(CBr)cc1Br 233859261 VJJGKUZISYXMLV-UHFFFAOYSA-N 465.001 3.920 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(O)cc1 252599916 DMQZRJSANWSBSI-KRWDZBQOSA-N 450.568 3.721 50 10 JHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)c2C)cc1 252620269 MAOYSSCBXUUFQL-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2)o1 252643113 ZSLDBYDRXFTYPD-UHFFFAOYSA-N 461.869 3.732 50 10 JHGE COc1ccc(C=NNC(=O)COc2ccccc2)cc1CN1CCN(c2ccc(F)cc2)CC1 254310576 CUKAUZRHIVDSHV-UHFFFAOYSA-N 476.552 3.686 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 254479975 CFZNQICWOBZYAI-UHFFFAOYSA-N 489.513 3.545 50 10 JHGE O=C(Cl)c1ncc(I)c(I)c1OC(F)(F)F 396164755 WYIFTFTYJHMZQA-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE O=C(CBr)c1c(I)cc(OC(F)(F)F)cc1[N+](=O)[O-] 575709277 ADDGXYNUHNZRSW-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE Cc1ccc(S(=O)(=O)OCCOCCOCCOCCO[Si](C)(C)C(C)(C)C)cc1 725239317 LQPJYRSDQDSSHD-UHFFFAOYSA-N 462.681 3.772 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)OCCOc2ccc3c(c2)CCC(=O)N3)c(-c2ccccc2)n1 725909235 HZDBWNSUGGRCBH-RCCKNPSSSA-N 481.512 3.878 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccnc(N3CCCC3)c2)c(-c2ccccc2)n1 914466866 BIQJIRFYPCJQAV-JWGURIENSA-N 451.534 3.682 50 10 JHGE CCOC(=O)COc1ccc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084533645 KGOUQAJYQNJOBY-UHFFFAOYSA-N 492.269 3.743 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@H](CCc2ccccc2)C(F)(F)F)cc1 1670033107 VMAOOJNMUQKTOW-HNAYVOBHSA-N 451.445 3.551 50 10 JHGE O=C(CBr)c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1I 2055112671 TXUAXMBUMUXSSB-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE COC(=O)Cc1cc(CBr)c(I)c(OC(F)(F)F)c1 2055364325 HNCKPIUTPPENPA-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE O=C(c1c(Br)cccc1Br)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2150495491 NAOWIWDNVAWHJA-AXTRIDKLSA-N 467.983 3.979 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC(F)(F)C[C@H]1CCl 2159042378 ZEWCPGDVGNVCED-QMMMGPOBSA-N 453.530 3.849 50 10 JHGE CC1(C)[C@H](CBr)OCCN1C(=O)c1cc(Cl)ccc1I 2159639228 JRHAYIJXMDSKDD-LBPRGKRZSA-N 472.548 3.959 50 10 JHGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(CC1(CBr)CCOCC1)C2 2163060036 YUAHXWRLSQAHLB-UHFFFAOYSA-N 460.438 3.718 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](OCCCl)C1 2170213103 GIDIFOZJJTWJIL-LLVKDONJSA-N 472.548 3.914 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3[C@H](CBr)[C@@H]3C2)cc1Br 2182047583 INHAZNUPQFUCBG-ILWJIGKKSA-N 488.039 3.781 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](OCCCl)C1 2207270438 BFCKJTPIYVESRB-NSHDSACASA-N 472.548 3.914 50 10 JHGE CC1(C[S@@](C)(=O)=NCCCCCI)CN(C(=O)OC(C)(C)C)C1 2211185072 OTQCFOBKRPMLPP-HSZRJFAPSA-N 458.406 3.947 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[C@H]1Br 2221677943 OTIAKLPXEFFCHM-YUELXQCFSA-N 476.209 3.785 50 10 JHGE O=C(NC1(CBr)CCOCC1)c1ccc(Cl)c(I)c1 2268359960 YGNABXQJKKLDCP-UHFFFAOYSA-N 458.521 3.619 50 10 JHGE C[C@@H](NC(=O)c1c(F)cccc1I)c1nnc(CBr)s1 2282800933 HGTBCLCGANBVKM-ZCFIWIBFSA-N 470.105 3.668 50 10 JHGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O 2297318632 FZFWTGJFNIRQKI-UHFFFAOYSA-N 452.898 3.590 50 10 JHGE CCOc1cc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OC 2325903321 YLLHQJWDVFLSHZ-HUUCEWRRSA-N 468.579 3.701 50 10 JHGE CCCOc1ccc([C@@H](CC(=O)O)NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)cc1OC 2331116157 REAQDGRHFMFPPA-JOCHJYFZSA-N 482.533 3.748 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](CBr)C12CCC2 2364028603 GOOWURBKEVZZEB-QMMMGPOBSA-N 470.003 3.725 50 10 JHGE Cc1cc(I)ccc1NCC(=O)N/N=C/c1cccc(Br)c1 1959721 FXKYNKLFDYKIQR-AWQFTUOYSA-N 472.124 3.924 50 10 JHGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 10294857 SJFOWYLPMMZVKX-OAHLLOKOSA-N 463.987 3.849 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 13976599 NEEDVCMSNXHBEG-IZZDOVSWSA-N 482.389 3.896 50 10 JHGE CCOc1ccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 33343541 IZUPKWOBEJKVMG-ZMFRSBBQSA-N 462.531 3.683 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721567725 TXYBTHXWCYLQGY-JIMOISOXSA-N 450.114 3.775 50 10 JHGE O=C(NCC1(c2ccc(Br)cc2)CCOCC1)NNC(=O)c1ccc(Cl)cc1 726276052 GLBURMULNHBFCH-UHFFFAOYSA-N 466.763 3.795 50 10 JHGE COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)NNc3ccc(F)c(F)c3F)c2)c1 728718220 AFARLQMKWZGHMH-UHFFFAOYSA-N 461.396 3.836 50 10 JHGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCc2ccco2)c1 748268885 SKKIXLMKUQHRCR-UHFFFAOYSA-N 487.965 3.708 50 10 JHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1c(O)ccc2ccccc12 1084298907 XZCOBDSRVUXXFO-UHFFFAOYSA-N 473.554 3.887 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)CSc3ccccc3C)c3ccccc32)cc1 1084390020 XOCFPPCOWNKOJE-UHFFFAOYSA-N 472.570 3.901 50 10 JHGE C=CC(=O)N1CCC(C(=O)NNc2cc(C#N)ccc2Br)(c2ccccc2)CC1 1469946567 GVFZDBQCVWYCJL-UHFFFAOYSA-N 453.340 3.510 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C)cc2O)cc1OC 1565517985 PGABLEZWNBPXOY-VFGUMFSQSA-N 459.502 3.639 50 10 JHGE CCOC(=O)Cc1nc(I)c(CBr)cc1OC(F)(F)F 1848387721 QDTNRXDGLUZYNM-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCOC(=O)Cc1ncc(CBr)c(OC(F)(F)F)c1I 1848387733 QYJDTEBXXAZBAR-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE COc1ccc2[nH]cc(/C=N/NC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)c2c1 1860773827 GNPMLCDERHJCAZ-XFJHUUOTSA-N 463.563 3.784 50 10 JHGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709394 BHKXARVYFCCIAA-JOCHJYFZSA-N 473.489 3.700 50 10 JHGE O=S(=O)(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)[C@H]1C[C@H](OCc2ccccc2)C1 1877514764 VIQLXZYAJRNDHG-FPCVCCKLSA-N 456.324 3.617 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCC2CC(Br)C2)cc1Br 1887729352 ACTKPKZGAVXLBK-UHFFFAOYSA-N 476.028 3.972 50 10 JHGE C[C@H](CCCCCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2054169962 INJVBLQKGZKTLB-OAHLLOKOSA-N 473.433 3.572 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCO[C@@H](CCCl)C1 2142289415 QDKAPTWWBSZTBU-JTQLQIEISA-N 458.521 3.524 50 10 JHGE ClCc1nc(N2CCC[C@]3(CN(Cc4ccccc4)CCO3)C2)ncc1Br 2151752291 RROKBAILJHTWMY-FQEVSTJZSA-N 451.796 3.849 50 10 JHGE O=C(NCC12CC(CCl)(CO1)C2)c1ccc(I)c(Br)c1 2159583837 QJJMYFBWTFWKDR-UHFFFAOYSA-N 470.532 3.572 50 10 JHGE CN1CCC[C@@H]([C@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2268283292 CCLZILUDEZNQCF-NWDGAFQWSA-N 478.577 3.805 50 10 JHGE COc1ccc(S(=O)(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1 2293420626 UFDKRHMWLLFFSZ-UHFFFAOYSA-N 478.482 3.707 50 10 JHGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccc(F)cc4)cc3)nc2s1 2297350773 QYISEFMGAAEMMI-UHFFFAOYSA-N 475.505 3.977 50 10 JHGE O=C(NN=Cc1ccc(Br)o1)C(=Cc1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 2297707740 GSBBGGDYOKKZFT-UHFFFAOYSA-N 483.278 3.872 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H](CBr)CC1 2338841226 VOEDRWNTBJSVDI-KRWDZBQOSA-N 485.444 3.670 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Br)o2)c(Br)c1 12580514 KZWOSMOMKHJKSI-UHFFFAOYSA-N 460.122 3.768 50 10 JHGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)Cc4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])c2n1 40618670 PIOQLPHZSBNIBT-UHFFFAOYSA-N 475.421 3.628 50 10 JHGE Nc1c(NNC(=O)c2ccccc2)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 40729910 XTVNGEASABYUSR-UHFFFAOYSA-N 479.588 3.727 50 10 JHGE COC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816248 AXFVGNXLUKCKPF-QVRKFKRVSA-N 482.364 3.895 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cc(OC)ccc1OC 59261135 ARYJMISCBGLRDC-AEIQVQRHSA-N 480.594 3.724 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 96840513 KJCLGWIHCDIGRL-JCAJYURWSA-N 451.479 3.775 50 10 JHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3)cc2OC)cc1 254479156 NJXIKKJXTUBSHK-UHFFFAOYSA-N 475.501 3.792 50 10 JHGE COc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc(OC)c1OC 254906429 SHQBWYWGSMHYCB-UHFFFAOYSA-N 451.454 3.868 50 10 JHGE Cc1cc(C=NNC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1083913592 OPUIZGOCFWMGIZ-UHFFFAOYSA-N 458.349 3.953 50 10 JHGE COc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(C(=O)O)cc1 1084196982 QTDJXNGNWTUFTO-UHFFFAOYSA-N 494.500 3.762 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1Br)c1cccc2ccccc12 1084502638 YTZNWDICEBRZBE-UHFFFAOYSA-N 460.353 3.519 50 10 JHGE Nc1cc([N+](=O)[O-])ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 1614643731 YSNIFDLPSGDHDF-YOEHRIQHSA-N 481.290 3.964 50 10 JHGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2 1648556818 XTTVAXYDCLTQJO-KRWDZBQOSA-N 458.950 3.506 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(Br)cc1 1682356656 KXXIECPJCNRXKX-YVEFUNNKSA-N 450.720 3.575 50 10 JHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751359 PMAKJSLMGUTHPS-UHFFFAOYSA-N 475.574 3.619 50 10 JHGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695757 HDEDKLSMNOZAIB-GOSISDBHSA-N 452.312 3.906 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC1CCCC1 1926790351 DXUXAHPFLMFOBU-MRXNPFEDSA-N 485.444 3.572 50 10 JHGE CC(C)(C)OC(=O)NC(C)(C)c1ccc(NS(=O)(=O)CI)cc1 1983328176 UWNNKEVLEQMAOQ-UHFFFAOYSA-N 454.330 3.581 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2013012107 BPMIJVLPDNMMDU-GVDBMIGSSA-N 477.693 3.649 50 10 JHGE O=C(NCCOCCCBr)c1cc(I)ccc1Br 2042196325 VDXUUSRLKIJBRO-UHFFFAOYSA-N 490.961 3.585 50 10 JHGE O=S(=O)(NC[C@H]1C[C@@H]1CBr)c1cc(Br)ccc1Br 2053965552 HTDNWVJJXIPDCZ-HTQZYQBOSA-N 462.001 3.521 50 10 JHGE O=C(NNC(=O)c1cc(-c2ccccc2)on1)C(=Cc1cccs1)n1nnnc1-c1ccccc1 2069682239 KSSAUPNIZHBUHY-UHFFFAOYSA-N 483.513 3.516 50 10 JHGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1cc(Br)cc(Br)c1 2101337340 MQUASRXSVQZEKP-UFBFGSQYSA-N 455.972 3.741 50 10 JHGE CN(C1(CBr)CC(C)(C)C1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2108315984 BLMIUZRYVQPJNT-UHFFFAOYSA-N 485.444 3.524 50 10 JHGE CC1(C)OCCO[C@H]1[C@H](Br)c1cc(I)cc2c1OCC2 2186764349 HKTVGUXWUIHQFL-OCCSQVGLSA-N 453.114 3.856 50 10 JHGE C[C@]1(CCl)COCCN(C(=O)c2ccc(Br)cc2I)C1 2207264726 JAABQPSOIHALEK-CQSZACIVSA-N 472.548 3.771 50 10 JHGE Cn1cc(-n2c(CCl)nc3cc(I)ccc32)c(Br)n1 2230769109 HYLWNHYCQOUTII-UHFFFAOYSA-N 451.493 3.865 50 10 JHGE CO[C@@H]1CN(Cc2cc(Cl)ccc2I)[C@@H](CBr)[C@H]1OC 2233348493 OTZODLWKAYVAMJ-BFHYXJOUSA-N 474.564 3.554 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@H]2[C@H](C)Br)cc1Br 2331383919 RSXKZDNDCCLFST-LAEOZQHASA-N 476.028 3.970 50 10 JHGE NNC(=O)[C@H]1CC[C@@H](CSc2cc(I)ccc2Br)C1 2338333129 OZHIPISKKVFSLP-BDAKNGLRSA-N 455.159 3.552 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC1CCC(CBr)CC1 2338860122 JLRSYNIOEGLZLG-UHFFFAOYSA-N 457.992 3.629 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CCCC[C@@H]1Br 2338862602 XTGNORQFLAVANT-YUMQZZPRSA-N 457.992 3.629 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCC(Br)CC2)[C@@H]1C(F)(F)F 2370161803 OEBSVOBNCQFIPU-CHWSQXEVSA-N 458.319 3.886 50 10 JHGE COc1ccc2c(c1)CCCC2=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 1022732 MODARFMXBOQRBF-UHFFFAOYSA-N 463.559 3.747 50 10 JHGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 2950073 ZVRJIBRFRCMNMR-XEVUTIDLSA-N 460.402 3.886 50 10 JHGE COc1ccccc1NC(=O)N/N=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 59678619 GWBAVRMBYURTDN-WYMPLXKRSA-N 450.451 3.655 50 10 JHGE Cc1cc(C)nc(SCC(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)n1 254516525 GLVBARXBEDFALK-UHFFFAOYSA-N 450.520 3.613 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2O)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084101104 WBUNPOBQWJZZBS-UHFFFAOYSA-N 457.939 3.700 50 10 JHGE COc1cc(C(=O)Nc2ccccc2C(=O)NN=Cc2ccc(F)cc2)cc(OC)c1OC 1084368339 ZPDOKWUTEHVGEG-UHFFFAOYSA-N 451.454 3.868 50 10 JHGE C=C(C)COc1cccc(NC(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)c1 1199786160 BWLZRMWIMNUYFG-UHFFFAOYSA-N 451.483 3.515 50 10 JHGE CC(=O)N(C)c1ccc(NC(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cn1 1310906464 OLHVPHBFWLIEMH-UHFFFAOYSA-N 454.490 3.746 50 10 JHGE N#CSc1ccc(NC(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1 1860598079 RWBSIPWEMNJOHY-UHFFFAOYSA-N 455.452 3.567 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCn4ccc5ccccc54)c(=O)c23)cc1 1860770567 NXOUMANXIGZKNA-UHFFFAOYSA-N 485.569 3.626 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4cc(Cl)cc(Cl)c4)c(=O)c23)C1 1860771018 GMNSKDDBSFRVMU-QWRGUYRKSA-N 479.389 3.912 50 10 JHGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709453 CCQNNFPCFNFLMO-OAQYLSRUSA-N 459.462 3.641 50 10 JHGE Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1 1866126972 AUTUPYHZZWCBQA-FOWTUZBSSA-N 453.911 3.785 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCc2ncc3ccccn23)cc1 1866894721 LLOHAIYBTRVQHI-QHCPKHFHSA-N 485.569 3.912 50 10 JHGE CCCCCCCCCCN1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960409 CWVGPRDQECBOJZ-VXKWHMMOSA-N 471.646 3.753 50 10 JHGE O=C(N[C@@H](CBr)CC1CCOCC1)c1sccc1I 1883302490 OHXKWWXKEALATH-SNVBAGLBSA-N 458.159 3.663 50 10 JHGE Brc1cc(Br)cc(CO[C@H]2COC[C@@H]2I)c1 1900366255 CESGMQAHFKICHH-QWRGUYRKSA-N 461.919 3.931 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)N1CCC(CI)CC1 2037335754 HHNOSFLKASKMQQ-UHFFFAOYSA-N 464.188 3.655 50 10 JHGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1cc(Br)ccc1Br 2101337392 MZRZEVWORDSPKS-WPRPVWTQSA-N 455.972 3.741 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCO[C@H](CCBr)C1 2116235627 DUVGYKFTVQTIRY-SECBINFHSA-N 455.972 3.838 50 10 JHGE O=C(c1cc(I)sn1)N1CC2(CCCC2)C[C@@H]1CBr 2120028057 YHEVBBWNXVHPSG-SECBINFHSA-N 455.159 3.918 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@@H](Br)C(F)(F)CC1 2150018217 HJWXWMRDMXYNRE-LLVKDONJSA-N 460.056 3.632 50 10 JHGE COc1ccc(S(=O)(=O)N(C)CCCOCc2ccccc2)c(CCBr)c1 2179825165 DLPWSYSABNNSSU-UHFFFAOYSA-N 456.402 3.860 50 10 JHGE CCn1ncc(Br)c1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303548575 GKRKUNAFUVWQAU-AWEZNQCLSA-N 459.182 3.766 50 10 JHGE COCCNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(C(C)C)cc3)cc2oc1=O 2314751005 JXJOEFNCRABVQI-UHFFFAOYSA-N 460.486 3.805 50 10 JHGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1C(C)(C)CC(N)CC1(C)C 2318462426 IUJQNXGGIUTQKF-UHFFFAOYSA-N 466.367 3.926 50 10 JHGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2321988196 QZKJXAQHMOKEPW-BTYIYWSLSA-N 493.692 3.582 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCC[C@@H]1CCBr 2338850800 VCBNKPZYROUHFA-APWZRJJASA-N 485.444 3.716 50 10 JHGE CC1(C)CC[C@H](CCl)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364216276 ZMUODQRFPJRABE-QGZVFWFLSA-N 455.020 3.902 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@]2(CBr)CC2(F)F)C2(CCOCC2)C1 2379985175 FTPZBEPKTIQWCE-PBHICJAKSA-N 453.368 3.803 50 10 JHGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 12579450 NDCKOUMNRFOLMB-VIFPVBQESA-N 462.127 3.993 50 10 JHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CCC)cc1 14036194 KQSRIUVAIKEDJZ-UHFFFAOYSA-N 470.595 3.944 50 10 JHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 14037139 JLZDZQAKZOYOOW-UHFFFAOYSA-N 463.559 3.857 50 10 JHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c1C 14668723 UOIMZQHUKSQGKJ-UHFFFAOYSA-N 494.411 3.568 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-])c1cccc(Cl)c1 40647327 RVRDVKMTAQNKDA-UHFFFAOYSA-N 464.667 3.696 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)cc2)cc1 59148408 BCWGNOJDVAWDQC-YDZHTSKRSA-N 489.347 3.995 50 10 JHGE Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2Br)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2 101110271 DWUWMITXMWCIAR-QRVIBDJDSA-N 478.303 3.856 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc(C)c3)cc2OC)cc1 263631453 ZXQRREVQPPRSTF-UHFFFAOYSA-N 489.528 3.502 50 10 JHGE COC[C@](C)(CBr)N(C)C(=O)c1cc(Cl)ccc1I 689312001 HKTARVRVVXYHFC-ZDUSSCGKSA-N 460.537 3.817 50 10 JHGE COc1ccc(CCC(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(C)cc2)c(O)c1 1083914685 MNDAGNFJXBLYDX-UHFFFAOYSA-N 468.531 3.560 50 10 JHGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1OC 1083994797 BVYNJQJBINILIP-UHFFFAOYSA-N 474.546 3.589 50 10 JHGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1C 1084420449 KWMDDQFUGCMLSG-HXUWFJFHSA-N 472.545 3.648 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)cc1)Nc1ccccc1 1084608183 KJIJFPQQNOSNFB-UHFFFAOYSA-N 495.333 3.555 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C2(CC2)C1 1260514301 OUMXKHYGRQBRDV-MRXNPFEDSA-N 459.406 3.649 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745037 PHGGHWRPUAYGQB-UHFFFAOYSA-N 461.474 3.788 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4cc(Cl)cc(Cl)c4)c(=O)c23)C1 1860771016 GMNSKDDBSFRVMU-GHMZBOCLSA-N 479.389 3.912 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CC(I)C1 1904390397 WKODWHGADMYLMZ-UHFFFAOYSA-N 450.921 3.533 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2cc(Br)c(Br)s2)C1 2046666469 AKRHBLUBXBPTCJ-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2163054719 ZUTJWHUWNOLHAV-MRXNPFEDSA-N 461.422 3.992 50 10 JHGE C[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CBr)cc1 2164467095 ORTNIRZMNMBHGZ-CABCVRRESA-N 461.422 3.990 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C2(CCCCC2)C1 2174371604 PLYBFUWAUUFQOP-GOSISDBHSA-N 497.455 3.668 50 10 JHGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 2296543423 AIMNZSSSZZTFBP-UHFFFAOYSA-N 497.349 3.699 50 10 JHGE Cc1ccc(C=CC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 2313617353 KXUUYTUBVYZZEZ-UHFFFAOYSA-N 468.145 3.760 50 10 JHGE CCCN(C[C@H](C)Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316822188 OOYIUQVTPYOAOL-INIZCTEOSA-N 473.433 3.668 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NCC[C@H]1CCC[C@@H]1Br 2338681107 WPLLVYZCJIGBJF-SFYZADRCSA-N 457.992 3.629 50 10 JHGE CC(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1c(Br)c(Br)nn1C 2338689644 XLQMCZPGRCAADG-IONNQARKSA-N 457.992 3.579 50 10 JHGE C[C@H]1CC[C@@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338853008 UWTZIKNUCSOQPH-IRXDYDNUSA-N 485.444 3.668 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCC(OCCBr)CC1 2365586025 HPDCVGOIQFFZEA-UHFFFAOYSA-N 472.548 3.961 50 10 JHGE Cc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3cn(C)c4ccccc34)ccc2C)cc1 10736854 JWJTZFFXQCJZAZ-UHFFFAOYSA-N 476.558 3.671 50 10 JHGE O=C(/C=C/c1cccs1)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 13979410 ZKSUBOXQCVCOPL-GQCTYLIASA-N 471.391 3.509 50 10 JHGE C#CCOc1c(Br)cc(/C=N/NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 58894172 NSGKPWGIZYUWMX-RASHHNMQSA-N 489.366 3.832 50 10 JHGE C[C@H](Br)C[C@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703966365 FKRYIPKDPQLSSG-JKSUJKDBSA-N 485.444 3.667 50 10 JHGE COc1ccccc1NS(=O)(=O)c1cc(C(=O)NN=Cc2cnn3ccccc23)ccc1Cl 729634032 WWLPKXKMVCMHKG-UHFFFAOYSA-N 483.937 3.561 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)Cn2cnc3cc(C)c(C)cc32)c1C 1083943381 SZVFWHYXPLEXRH-UHFFFAOYSA-N 475.509 3.523 50 10 JHGE CC(=NNC(=O)CCCSc1nnc(-c2ccccc2)n1N)c1ccc(Br)cc1 1084105309 OKFGJGPZOJZRKJ-UHFFFAOYSA-N 473.400 3.834 50 10 JHGE O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc(CCCl)cc2)C1)OCc1ccccc1 1475260198 PGNBDHWFCAURSS-FQEVSTJZSA-N 450.988 3.795 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(Cl)c2Br)cc1 1671586541 GXWJHOZDLKLZGA-NSHDSACASA-N 454.708 3.925 50 10 JHGE CSCC[C@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1ccc(SC#N)cc1 1867166363 VUNGSSRGOKRHGN-KRWDZBQOSA-N 453.549 3.800 50 10 JHGE BrC[C@@H]1[C@H]2C[C@H]2CN1c1ncc(I)cc1Br 1992548136 VBGJHXHHCTZNEV-KADJCCMJSA-N 457.935 3.668 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC([C@H](F)CBr)C1 2048034153 VVSKSTSKYNOFKW-SNVBAGLBSA-N 490.936 3.859 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2CSC[C@@H](C2)C1 2179776727 WVQOFUUCEMSVBZ-IUCAKERBSA-N 461.266 3.779 50 10 JHGE O=S(=O)(N[C@H](CBr)C[C@H]1CCOC1)c1cc(Cl)c(Br)s1 2195485997 DGTVMZOKJJCQOP-SFYZADRCSA-N 467.632 3.632 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201762461 HFAKAGGWCXQBHE-YGRLFVJLSA-N 470.532 3.713 50 10 JHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1C 2268647145 XLIPTXRKHFPCSE-QUGAMOGWSA-N 486.377 3.567 50 10 JHGE CCCN1CC[C@@H]([C@@H](Br)c2c(F)cccc2I)S1(=O)=O 2282905975 WYIDIJHHJVZFHJ-WCQYABFASA-N 476.149 3.680 50 10 JHGE C[C@H]1COCCN1CCO[C@H](CI)c1ccccc1Br 2285515066 DBNXHFCOQVQBIB-SWLSCSKDSA-N 454.146 3.663 50 10 JHGE CC(=O)N(C(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(N)cc1 2318454419 WJIIEIIIZSGYCJ-UHFFFAOYSA-N 479.584 3.963 50 10 JHGE O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040780 JGHGBPQGVVZSJJ-UHFFFAOYSA-N 483.977 3.676 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OCCOC)c(Br)c1 14661424 VLWQNQNEYBIZOW-HNNXBMFYSA-N 479.371 3.828 50 10 JHGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 40569364 UAUCRMGYAJMOSZ-MGPUTAFESA-N 470.367 3.960 50 10 JHGE Cc1ccc(S(=O)(=O)/N=C2\C=C(NNC(=O)c3ccccc3Cl)C(=O)c3ccccc32)cc1 102622875 CWPCWDSWQLQZFR-SGWCAAJKSA-N 479.945 3.841 50 10 JHGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 206267595 ZUZLGCBJRHKGDS-SSZFMOIBSA-N 454.533 3.888 50 10 JHGE CC(=O)N(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(N)cc1 216485956 NITLEAFRVNIFSB-DAFNUICNSA-N 479.584 3.963 50 10 JHGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 217044775 HPEARAJSGJBCII-MVLSXRRASA-N 465.550 3.800 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCCCCBr)cc1Br 235783967 PTGOBGNERFJOKT-UHFFFAOYSA-N 464.017 3.973 50 10 JHGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccc(Br)cc1 1448292659 WRAJIJPAEHXUJN-OAHLLOKOSA-N 455.353 3.851 50 10 JHGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3sc(-c4cnccn4)nc3C)c(C)n2)cc1C 1865756418 XTWUEKSGMVTVDS-UHFFFAOYSA-N 458.547 3.971 50 10 JHGE COc1ccc(-c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866624320 HHGIBBNGOROTPO-UHFFFAOYSA-N 463.519 3.578 50 10 JHGE CC(C)(C)OC(=O)NC1(CC(=O)NC[C@@H]2C[C@@H]2Br)CCN(Cc2ccccc2)CC1 1897148965 MYLHXVLCDVXGOQ-OALUTQOASA-N 480.447 3.836 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2C[C@H](n3ccnc3)C2)C1 2063757099 ASQCSEKYOSHOAE-MPGHIAIKSA-N 461.344 3.808 50 10 JHGE Cc1cc(S(=O)(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)sc1CBr 2123242868 BQJHWOMBGLELHJ-IRXDYDNUSA-N 455.443 3.846 50 10 JHGE Clc1ccc(I)c(CN2C[C@H]3COC[C@@H](C2)[C@@H]3Br)c1 2132542714 JJUUQXLCKXLNOL-YABSGUDNSA-N 456.549 3.786 50 10 JHGE O=C(c1cccc(F)c1I)N1CC[C@H](CBr)C(F)(F)C1 2146382762 KSHZYYWSYBLJMG-MRVPVSSYSA-N 462.047 3.923 50 10 JHGE CC[C@]1(CBr)COCCN1C(=O)c1cc(Cl)ccc1I 2169034505 UOGNPONIFHNREL-AWEZNQCLSA-N 472.548 3.961 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@@H](Br)C2(CCCC2)C1 2174362770 DKHNNUWRIVESTF-CYBMUJFWSA-N 450.114 3.777 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2184359702 BCIXKIHXCWVYLS-GOEBONIOSA-N 461.422 3.799 50 10 JHGE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2201351603 LHTHYYGKUSHWOJ-KXBFYZLASA-N 459.406 3.507 50 10 JHGE Cc1ccc(C(=O)NC[C@@H](CBr)C(F)(F)F)cc1I 2224619033 SLZFSZJDFNNTEL-SECBINFHSA-N 450.036 3.903 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(Cl)c(I)c2)C[C@H]1Br 2268346943 KFDMVFACSZJYRI-KBVBSXBZSA-N 458.521 3.615 50 10 JHGE Cc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)c(C)c1 2297462084 ZHEPVDMEBOEHPY-UHFFFAOYSA-N 452.565 3.575 50 10 JHGE Cc1ccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1Cl 2324281164 RDSGYHGMTSSHRG-UHFFFAOYSA-N 495.388 3.781 50 10 JHGE ClC[C@@]12CN(Cc3ccc(I)c(Br)c3)C[C@@H]1CCO2 2349833384 XNURKRDOLUBLQM-SMDDNHRTSA-N 456.549 3.883 50 10 JHGE Cl[C@H](CCc1ccc(I)c(Br)c1)CN1CCOCC1 2349846671 BGTVWYAORMAVQN-GFCCVEGCSA-N 458.565 3.926 50 10 JHGE O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 13982165 JLIYNKUFUFCFKP-UHFFFAOYSA-N 463.291 3.788 50 10 JHGE COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cn1nc(C)cc1C 27520744 QPBWDVABLBAPOB-RDRPBHBLSA-N 468.557 3.943 50 10 JHGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1)CC3 39881713 VKUNQMVOKNZCLG-UHFFFAOYSA-N 483.484 3.921 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(I)cc2)cc1 58892936 HFXJDILYLIOMSK-LZAZYHHXSA-N 452.292 3.654 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc([N+](=O)[O-])c(C)c1 213122690 LNLMUHRBSJUSGD-WQRHYEAKSA-N 491.456 3.713 50 10 JHGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N2CCN(c3cccc(Cl)c3)CC2)cc1OC 217174494 XKDLNDDKUZBXPF-KAKMCVKYSA-N 454.958 3.764 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCC(OCCCl)CC1 236031143 RRXGMAIQAUZKHY-UHFFFAOYSA-N 472.548 3.914 50 10 JHGE O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(F)cc2)c1 253570974 OIOFPYZARCPVKV-FSJBWODESA-N 451.370 3.658 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2cc(Br)cc(Br)c2)C1 311827918 OOVYEFFQMGGHQW-NEPJUHHUSA-N 455.972 3.836 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H](c2c(O)cccc2O)[C@@H](CI)C1 382704140 DTHRBHJRSBGFFR-GJZGRUSLSA-N 453.276 3.885 50 10 JHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1cc(Br)ccc1Br 384677131 FJFPKBZUCJOAPJ-LLVKDONJSA-N 469.015 3.801 50 10 JHGE O=C(c1sccc1I)N1CCC(F)(F)[C@H](CBr)C1 403957209 RRBODKXSKOEADE-SSDOTTSWSA-N 450.086 3.845 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1scc(Br)c1Br 705409915 PLKZDSSFRCGKJD-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE C[C@@H](Br)Cc1cn(-c2ccc(I)c(Br)c2)nn1 709375114 MAGSCDQNDLLMJI-SSDOTTSWSA-N 470.934 3.960 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl 725758553 BISXSAVMTWEMNB-LDADJPATSA-N 495.432 3.850 50 10 JHGE C[C@H](Sc1n[nH]c(NN=Cc2c3ccccc3cc3ccccc23)n1)C(=O)NNC(=O)C1CCC1 1084221551 MCNLWXAXOWQBKR-HNNXBMFYSA-N 487.589 3.985 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(Cl)c2OCC(F)F)cc1 1476693323 RYZBUSYCFYBXBD-LBPRGKRZSA-N 455.845 3.807 50 10 JHGE C=CC[C@]1(C(=O)NNC(=O)Nc2cc(OC)ccc2Cl)CCCN1C(=O)OC(C)(C)C 1639398043 MDOCWZOJKGTTBY-OAQYLSRUSA-N 452.939 3.847 50 10 JHGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)cc1 1772749183 INCGIMAUFTVTEH-UHFFFAOYSA-N 475.501 3.863 50 10 JHGE O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1C[C@H](Br)[C@H](Br)C1 1884979723 FYOGMQKMQPNGGM-OLQVQODUSA-N 455.958 3.664 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2cc(Br)cc(Br)c2)C1 1899908264 XSNARHKXTXAVDV-BJHJDKERSA-N 455.972 3.884 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](I)C1 1994516470 RAWCEDRLSQOOHM-QMMMGPOBSA-N 458.919 3.861 50 10 JHGE N#CC(C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)=C1NC(=O)c2ccccc2N1 2040482485 RCODSXVLPWKIRQ-UHFFFAOYSA-N 477.568 3.553 50 10 JHGE C[C@@]1(NS(=O)(=O)CCC(CCl)CCl)CCCN(C(=O)OCc2ccccc2)C1 2044259485 JBBQRELMSXUPOR-LJQANCHMSA-N 451.416 3.581 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@@H]2Br)cc1Br 2076168157 WISVMLGMHXBYJC-APPZFPTMSA-N 462.001 3.582 50 10 JHGE COC[C@H](Br)CN(C)C(=O)c1ccc(Br)cc1I 2086148059 WEATZNCMGPBQSC-SECBINFHSA-N 490.961 3.536 50 10 JHGE BrCCOCc1cn(Cc2cccc(Br)c2Br)nn1 2092335070 KKWMFDWGXHESAR-UHFFFAOYSA-N 453.960 3.763 50 10 JHGE O=S(=O)(NC12CC(CBr)(C1)C2)c1cc(Br)ccc1Br 2094831125 OGQVQWUEZSCOKI-UHFFFAOYSA-N 474.012 3.808 50 10 JHGE O=C(NC[C@@H](Br)CC(F)(F)F)c1cccc(F)c1I 2119073816 PIWLFYUETHRFBO-LURJTMIESA-N 453.999 3.876 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)c1ccc(CBr)cc1)CC(F)(F)F 2173987258 SYHOBNDXQPUWHM-GFCCVEGCSA-N 475.327 3.706 50 10 JHGE CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CN(S(=O)(=O)c3ccc(CBr)cc3)C1)C2 2174259585 PZFKSKCGNVVOSM-DNVCBOLYSA-N 459.406 3.649 50 10 JHGE CCn1cc(S(=O)(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1CBr 2179788495 CSEQCWLSVIYFAD-SFHVURJKSA-N 454.434 3.688 50 10 JHGE O=S(=O)(N[C@@H]1CC[C@@H]1CBr)c1cc(Br)ccc1Br 2218393881 QYYWLDMIEPEPAP-GMSGAONNSA-N 462.001 3.663 50 10 JHGE O=S(=O)(NC[C@H]1CC[C@H](CBr)CO1)c1cc(Cl)c(Br)s1 2279395247 VLTLQCGULPASNF-HTQZYQBOSA-N 467.632 3.632 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2OCC[C@@]2(CCl)C1 2296373670 YCOQGEUIUBBJSC-GXTWGEPZSA-N 470.532 3.524 50 10 JHGE CC1(C)[C@H](Br)CC[C@H]1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338833666 OXOJTSZRXLXIOL-QZTJIDSGSA-N 485.444 3.715 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl 13980193 UOSXULRKELIMSD-UHFFFAOYSA-N 458.729 3.900 50 10 JHGE CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1 20058719 FPQYYRRTBSRGKS-WQRHYEAKSA-N 482.920 3.997 50 10 JHGE O=C(O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 58889296 UIGIGSGZGRCWCI-HNJRTNGCSA-N 469.719 3.530 50 10 JHGE C[C@@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21 59146904 DFBCMRHXLAFMLI-GRYPHDSZSA-N 450.608 3.661 50 10 JHGE C=CCn1cc(/C=N/NC(=O)CSc2nnc(CNc3cccc4ccccc34)n2CC=C)cn1 59830024 PTQHIECADNFMCI-MZJWZYIUSA-N 486.605 3.854 50 10 JHGE CCCOc1c(Br)cc(/C=N\NC(=O)c2cccn(CC)c2=O)cc1OCC 169918471 KWCIWXZXDZRCEZ-XKZIYDEJSA-N 450.333 3.582 50 10 JHGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2C)cc(OCC)c1OCC 205933226 JFMUWEQMJXICAU-PXLXIMEGSA-N 484.528 3.953 50 10 JHGE COc1ccccc1N[C@H](C)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 254568036 ZLDKTWLFICLWDA-SNVBAGLBSA-N 471.149 3.877 50 10 JHGE Cc1ccc(CN2CCN(CC(=O)NN=Cc3cccc(OCc4ccccc4)c3)CC2)cc1 254766232 KLJDONQZNJBGLX-UHFFFAOYSA-N 456.590 3.842 50 10 JHGE Cc1ccc(CCl)c(-n2cnc(I)c2I)n1 688713314 MNNPECCSRFSDOC-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)CCC2CCCCC2)cc1 725745067 HLCDITWWCAAVQM-PGMHBOJBSA-N 463.582 3.770 50 10 JHGE COc1ccc(Cl)cc1NCC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727098538 CJWUBIZCYDHFAC-UHFFFAOYSA-N 457.889 3.940 50 10 JHGE Cc1ccsc1CNC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 918803904 DTRRHXUNCWIPOY-UNOMPAQXSA-N 459.531 3.600 50 10 JHGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2ccc(Br)s2)cc1)[C@@H]1C[C@H]1C 1671651971 CSEOVGRPASNROE-QMTHXVAHSA-N 451.346 3.738 50 10 JHGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)ccc1OCC(=O)N(CC)CC 1865706632 BIGISCPOIKQSSU-DEOSSOPVSA-N 495.624 3.966 50 10 JHGE CN1CC[C@@H]([C@@H](Br)c2csc(Br)c2Br)S1(=O)=O 1945187006 PILFIKYBTYSHGN-BQBZGAKWSA-N 468.030 3.743 50 10 JHGE CCOC(=O)c1ccc(I)c(CBr)c1I 2055230319 CUOIMPYPSGPUFH-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2196938256 ZUXUACAOPUYSAQ-PSASIEDQSA-N 494.018 3.887 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCO[C@@]2(CCl)C1 2239904577 RAKMIGFOLOYWKS-XPTSAGLGSA-N 470.532 3.524 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256883900 BEOHLTNWIHWKCL-UHFFFAOYSA-N 473.445 3.838 50 10 JHGE Cc1cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282089428 AMRNGDYZBGBHOR-UHFFFAOYSA-N 496.504 3.930 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295310516 XUSUFDAUGBBIDE-AWEZNQCLSA-N 469.999 3.767 50 10 JHGE COC(=O)c1[nH]c2ccc(F)cc2c1C=NNC(=O)COc1ccc(C(=O)NC2CCCCC2)cc1 2321697740 YOHLMCRGLRTUPB-UHFFFAOYSA-N 494.523 3.685 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H](CCCCl)C1 2364198575 XXQVGUQPVOYQEC-SFHVURJKSA-N 455.020 3.904 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@]2(CCC[C@H]2Br)C1 2364217941 WVCDBJSUNOXHOY-KNQAVFIVSA-N 497.455 3.812 50 10 JHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@@H]2CCC[C@@H]21 2367698489 LBDXAQHLBXODMB-DLBZAZTESA-N 459.406 3.744 50 10 JHGE COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 2231510 PQDNKOQKMGHOPQ-XMMPIXPASA-N 473.529 3.643 50 10 JHGE O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 10599776 BCCUQJMHDHPNQW-UHFFFAOYSA-N 459.453 3.569 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1Br 14030622 SWMDPPORLHVGSB-UHFFFAOYSA-N 464.385 3.742 50 10 JHGE O=C(NNC(=O)c1cc(Cl)sc1Cl)c1cccc(S(=O)(=O)NCc2ccccc2)c1 15664641 BDSFKPMETUROSP-UHFFFAOYSA-N 484.386 3.608 50 10 JHGE O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(I)cc1 20457344 HKTINOWMXVAZBR-GIJQJNRQSA-N 459.081 3.583 50 10 JHGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)Nc3c(C)cc(C)cc32)c1 34235446 UNSCDNGYXJSCMH-PXLXIMEGSA-N 498.539 3.564 50 10 JHGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc21 40530316 ZPVCRGNVPGXBSW-DNQXCXABSA-N 456.454 3.659 50 10 JHGE COc1ccc(/C=C(C#N)\C(O)=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 105891714 IOKDLOXZSHOAAV-HIZKOGFASA-N 454.490 3.512 50 10 JHGE O=C(NNC(=O)c1ccc[nH]/c1=N\c1cccc(F)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 107916767 PYEPQUKWFWJCHG-UHFFFAOYSA-N 493.502 3.709 50 10 JHGE O=C(Oc1cccc(C=NNC(=O)[C@@H]2COc3ccccc3O2)c1)c1cccc(Br)c1 252623154 OLDMBEPZSRCYJY-NRFANRHFSA-N 481.302 3.958 50 10 JHGE CN(C)c1ccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 254869517 KBYHDPPJEOGZFU-UHFFFAOYSA-N 455.606 3.834 50 10 JHGE O=C(NNC(=O)c1cccc2cccnc12)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 727802190 QJHKZEXSEMDLJY-UHFFFAOYSA-N 480.933 3.764 50 10 JHGE C[C@H](Oc1ccc(Br)cc1)C(=O)NN=Cc1cccc(I)c1 1084545888 OLHANECDRHTFTR-NSHDSACASA-N 473.108 3.971 50 10 JHGE C=CCc1cc(C=NNC(=O)COc2ccccc2I)cc(OCC)c1O 1084604133 RLQOJIGGOWYZTQ-UHFFFAOYSA-N 480.302 3.653 50 10 JHGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707482 XVHQBIDUNZHPDL-HSZRJFAPSA-N 481.597 3.720 50 10 JHGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)N(CCOC)[C@@H](C)C2)n1 1868253855 WDKLKWDFOOZVFC-ROUUACIJSA-N 456.616 3.528 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@]2(CBr)C1 2029658189 WISPMMWHSNNEKG-OQPBUACISA-N 484.957 3.911 50 10 JHGE CN(Cc1c(Br)nnn1C)c1ccc(CBr)cc1Br 2100247223 KJNUDYVZFAKLCR-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE O=C(NC[C@@]1(CCl)CCCO1)c1ccc(Br)cc1I 2142282991 KLUHCPJPCKSCDW-ZDUSSCGKSA-N 458.521 3.572 50 10 JHGE O=C(NCC12CC(CBr)(CO1)C2)c1cc(Br)ccc1Br 2159586729 CVHIVBGTGZMPQG-UHFFFAOYSA-N 467.983 3.886 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2179811505 LJTQPVFBKRCMJO-FXAWDEMLSA-N 453.402 3.626 50 10 JHGE O=S1(=O)CC[C@@H]1[C@@H](Br)c1cc(Br)c(Br)cc1F 2213487912 AYPNWGCMSZHESX-ZJUUUORDSA-N 450.949 3.974 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CCO[C@]2(CBr)C1 2239894414 VRLZYUNRCHGWTO-IINYFYTJSA-N 470.532 3.571 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCC[C@H]1NC(=O)OC(C)(C)C 2325591082 KHYNHHAYCCQUDF-VFNWGFHPSA-N 493.692 3.773 50 10 JHGE C[C@@H]1CC[C@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338849814 MFNNYIMGXAJOTB-IAGOWNOFSA-N 485.444 3.668 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2364214580 OBXOILSIZMJLJV-BCDXTJNWSA-N 497.455 3.811 50 10 JHGE C=CC[C@]1(CBr)CCN(C(=O)c2c(Br)c(Br)nn2C)C1 2364229480 BKEQZPBGAHGOKR-CYBMUJFWSA-N 470.003 3.748 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)ccc1Cl 13979737 DOTDVUDBTKIEFD-UHFFFAOYSA-N 462.127 3.670 50 10 JHGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 14002128 YQWWGFQNRVQWEB-UHFFFAOYSA-N 453.951 3.650 50 10 JHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 14036257 ZEHKXBCLXXNMEM-UHFFFAOYSA-N 464.385 3.967 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 14039113 DLZBTJAIUBGEDI-UHFFFAOYSA-N 456.568 3.552 50 10 JHGE CCOc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OCC 33591493 JLKVZCATEAWWRZ-HDFLIFARSA-N 468.579 3.846 50 10 JHGE CCOc1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40649593 XHOHLXTWSOPLEC-UHFFFAOYSA-N 473.833 3.846 50 10 JHGE CC(=C/c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1ccc(O)c(O)c1O 254354014 ZYUQZWGXYUGUHJ-ODMXEHETSA-N 457.486 3.671 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)c1cc(Br)cs1 379769389 OLNSETIMEPVTBX-UHFFFAOYSA-N 470.046 3.728 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(O)cc2O)[C@@H](CI)C1 382711198 YSEXLIBAZUKFTC-YOEHRIQHSA-N 453.276 3.885 50 10 JHGE CS(=O)(=O)N1CC[C@@H](Oc2c(Br)cc(Br)cc2CBr)C1 689917895 PSDUSUAGDWAMQB-SNVBAGLBSA-N 492.027 3.519 50 10 JHGE Cc1nc2ccccn2c1C(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 725425506 JSDVDCNQWFQTSI-SFHVURJKSA-N 455.518 3.663 50 10 JHGE COc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 727759877 FNEGZNGJLTXPAJ-BETUJISGSA-N 471.501 3.536 50 10 JHGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccc(Br)cc1)O[C@@H](C)C2 730468621 CCSSNDGGZVASMX-SOVGHPHASA-N 489.366 3.501 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c(C)n1-c1ccc(F)cc1 828046920 DCXMDOQUJJKOHP-STZFKDTASA-N 480.565 3.707 50 10 JHGE CC(C)n1cc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cn1 1084038068 ACQCGPJQGWFYOW-UHFFFAOYSA-N 474.594 3.899 50 10 JHGE C#CCOc1ccc(C=NNC(=O)c2cc(Br)ccc2O)cc1Br 1084346132 WDYQCNGQMUHOQJ-UHFFFAOYSA-N 452.102 3.693 50 10 JHGE CC(/C=C/c1ccccc1)=NNC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N 1084486076 IQHXZIXDTAHMMR-GPHBZSHCSA-N 465.539 3.645 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)Cc2ccccc2C)nnc1-c1cccc(Cl)c1 1189025662 VKWGFLGFBBDOLY-UHFFFAOYSA-N 455.971 3.575 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2c(F)ccc(Br)c2F)cc1 1674741402 SLOJPKTUHCJCGK-SNVBAGLBSA-N 456.243 3.550 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)cc1 1772744404 WXVBGQMJOFOSNU-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE CCOC(=O)c1nc(CBr)cc(I)c1OC(F)(F)F 1848387621 IKVWEZBKDNELMW-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE Cc1ccc(SCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865845118 JMVVDMXUODNOIH-MRXNPFEDSA-N 484.647 3.611 50 10 JHGE CN(C)[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867275006 MNKAJQMMCXICPL-XZOQPEGZSA-N 477.565 3.763 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@]2(CC[C@@](C)(CI)O2)CC12CCOCC2 1949511401 LENAWXGVLGJDKC-FUHWJXTLSA-N 451.345 3.919 50 10 JHGE CN1CCC[C@@H]([C@@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2089531120 KPIVJKGPAYIZFZ-RYUDHWBXSA-N 478.577 3.805 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CCO1 2117534747 VCXBRUQBQUNZLT-UFBFGSQYSA-N 458.521 3.569 50 10 JHGE CC[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC[C@@H]1NC(=O)OC(C)(C)C 2163052110 ZPHGRUAJOAAPNR-WBVHZDCISA-N 461.422 3.895 50 10 JHGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179826451 SCGOTICTPSJSES-WOJBJXKFSA-N 455.462 3.868 50 10 JHGE O=C(N[C@@H](CCl)C[C@H]1CCOC1)c1cc(Br)ccc1I 2195509238 ZXOMCBOZENZWFI-MWLCHTKSSA-N 472.548 3.818 50 10 JHGE Cc1csc(CBr)c1S(=O)(=O)N(C)C[C@@]1(Br)CC1(F)F 2202536805 IOMNIBXRJTVUQL-JTQLQIEISA-N 453.168 3.745 50 10 JHGE C[C@]1(Br)CN(S(=O)(=O)c2cc(CBr)oc2Br)C[C@@]1(C)F 2205657071 XSGUBWRMQUAAIW-WDEREUQCSA-N 498.006 3.823 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2COC[C@@]2(CBr)C1 2234578429 FXHUBZBUFBAWEW-LKFCYVNXSA-N 467.983 3.695 50 10 JHGE CC(C)[C@@H](Br)CN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826696 JRHQYADOMHVYDS-SFHVURJKSA-N 473.433 3.524 50 10 JHGE COCCN1C[C@@H](Br)[C@@H](Cc2cc(I)ccc2Cl)C1 2352432707 WUWRUSBWGDHQRK-WCQYABFASA-N 458.565 3.829 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCCC[C@H]1CBr 2364196209 XXRWVEKIVLJRBX-ZWKOTPCHSA-N 499.471 3.964 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@]2(CCC[C@@H]2Cl)C1 2364216498 OMZWFINVKXOPOU-UGKGYDQZSA-N 453.004 3.656 50 10 JHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 9826330 BIYSSXFYWBHSCT-UHFFFAOYSA-N 493.585 3.630 50 10 JHGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1OC 38688633 IUCUOAWGKAKFHB-RPWUZVMVSA-N 486.480 3.667 50 10 JHGE COc1ccc(C(=O)NC2=N/C(=C(\C#N)C(=O)NCc3ccc(C)cc3)c3ccccc32)cc1OC 102673763 SVJRRADQEBJAEV-YYDJUVGSSA-N 480.524 3.754 50 10 JHGE C[C@]1(C(=O)NN=Cc2cccn2-c2cccc([N+](=O)[O-])c2)CC1(Br)Br 252617695 KYMTXBCLZOOIOY-OAHLLOKOSA-N 470.121 3.732 50 10 JHGE Cn1cc(C=NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c2ccc(F)cc2)N3)cn1 254507085 XAFFDTKFPBFLRM-GDBMZVCRSA-N 485.392 3.815 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2sncc2Br)C1 719879490 PYOYQYFODMAXNY-MRVPVSSYSA-N 496.084 3.659 50 10 JHGE CC(C)OCCCn1c(NNC(=O)c2cccc(CN3CCCC3)c2)nc2ccccc2c1=O 729279543 GNXITCCCKYJDAH-UHFFFAOYSA-N 463.582 3.564 50 10 JHGE COc1ccc(COC(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1 1084230547 AGCSCQRFOKYCEQ-UHFFFAOYSA-N 468.426 3.574 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2c(c1)OCO2 1084320885 JODCSZOKVASZTI-GIDUJCDVSA-N 459.296 3.761 50 10 JHGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1cccc(Br)c1 1084337860 MYFUMVBAEKOWGL-UHFFFAOYSA-N 487.427 3.562 50 10 JHGE Cc1nn(C(C)C)c(C)c1C=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1084585996 KTEYMENPZDIDKV-UHFFFAOYSA-N 474.594 3.966 50 10 JHGE CCOC(=O)Cc1c(OC(F)(F)F)ncc(CBr)c1I 1848387784 VITCYVDJJIEPTI-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCO[C@@H](CCBr)C1 2116236106 JTDMXOSZBPXSOA-VIFPVBQESA-N 455.972 3.838 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC2(C1)OCCC[C@@H]2Br 2159658230 FXQFEXBVWRJAPF-LBPRGKRZSA-N 470.532 3.713 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189068394 QPQVGLXKCAMKBL-WOFXILAISA-N 467.983 3.694 50 10 JHGE CN(Cc1ccc(I)c(Br)c1)[C@@H]1COC[C@H]1Br 2306220928 BEDYTBZNELXLTN-ZYHUDNBSSA-N 474.962 3.648 50 10 JHGE CC(C)CN(CCOCCI)C[C@H]1CCCN1C(=O)OC(C)(C)C 2306797372 UZZKTOBOMOOPMZ-MRXNPFEDSA-N 454.393 3.796 50 10 JHGE Cc1cc(C=C(C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313563402 CVSPHFIKVXRQKZ-ILBGXUMGSA-N 494.511 3.698 50 10 JHGE Cc1c(Cl)cccc1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2324325915 CATAJOXXVRYCNK-UHFFFAOYSA-N 495.388 3.781 50 10 JHGE CN1CCN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2325207526 QDAULKYOQBRAHL-NSHDSACASA-N 488.005 3.565 50 10 JHGE Cc1cc(C(=O)NCC(F)(F)C(F)(F)CI)oc1Br 2336528230 YHQZUIFLKOIVAU-UHFFFAOYSA-N 457.987 3.786 50 10 JHGE COc1ncc(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc1F 2349876235 PQSFOXKHMAAXSM-GOSISDBHSA-N 480.318 3.951 50 10 JHGE CCn1nc(Br)c(CC(CBr)(CBr)C2CCOCC2)n1 2379952580 MIUOEWUXKRTYQI-UHFFFAOYSA-N 474.035 3.806 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(=O)OCC)cc1 14649890 TYFADLOXHNXLHU-UHFFFAOYSA-N 493.354 3.645 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1OC 14650780 BAZMTDFAYJDLIL-UHFFFAOYSA-N 465.344 3.966 50 10 JHGE COc1ccccc1NCc1nnc(SCC(=O)NN=Cc2ccco2)n1-c1ccccc1 254500766 IDUKVVPOGKZWGJ-UHFFFAOYSA-N 462.535 3.723 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=Cc1cccs1)S(=O)(=O)c1ccc(C)cc1 1084540357 LAMFVRHFJIPKEF-UHFFFAOYSA-N 457.577 3.801 50 10 JHGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711755 HKTXEAMELVKHCO-QFIPXVFZSA-N 494.467 3.832 50 10 JHGE BrC[C@@H](Cn1cnc(I)c1I)C1CCC1 1928323676 GASJSCIUWSRIKW-QMMMGPOBSA-N 494.940 3.904 50 10 JHGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1c1cc(NS(=O)(=O)CI)ccc12 2007717471 DWIAKEQBMMMUDR-KBPBESRZSA-N 464.325 3.948 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@]2(CBr)C1 2029658489 YXENVAGLQZJGGV-ZANVPECISA-N 484.957 3.911 50 10 JHGE O=C(c1scc(Br)c1Br)N1CCO[C@H](CCBr)C1 2052692487 YGTUMGMLCKRFKK-SSDOTTSWSA-N 462.001 3.899 50 10 JHGE O=C(N[C@H](CBr)c1cscn1)c1cc(I)ccc1F 2119040022 PSYVSVCLRCYLMX-SNVBAGLBSA-N 455.090 3.753 50 10 JHGE CO[C@@H]1C[C@H](Cl)CN(C(=O)c2ccc(Br)cc2I)C1 2142285382 OULCNNYSEKEKBU-VHSXEESVSA-N 458.521 3.522 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CCCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163053079 KGEJQKXDKFRXNY-INIZCTEOSA-N 461.422 3.897 50 10 JHGE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163057092 YGEHUKURYXTARK-GOEBONIOSA-N 461.422 3.895 50 10 JHGE CC(C)(C)[C@H]1C[C@@H](CCl)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2165001352 YLRHMLGWOQMCRD-IRXDYDNUSA-N 455.020 3.616 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NC1CC(Br)C1 2221684996 ZCTDOIIMONDRSA-NRXISQOPSA-N 476.209 3.927 50 10 JHGE CC(C)(C)c1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)cc(C(C)(C)C)c1O 2328808855 ADEYXHBCOXBXHG-UHFFFAOYSA-N 450.539 3.553 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C\c2cccc3ccccc23)cc1C 34984246 NOULPLCTJPUDNQ-QBFSEMIESA-N 474.586 3.911 50 10 JHGE CCOc1ccc2nc(SCC(=O)NNC(=O)CSc3nc4ccccc4o3)sc2c1 59449009 SCWARLITFWDIMZ-UHFFFAOYSA-N 474.589 3.868 50 10 JHGE O=C(/C=C\c1ccc(OCc2ccccc2)cc1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1 97985700 DKIUSSLGPLOWIH-SSZFMOIBSA-N 498.627 3.634 50 10 JHGE COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1[N+](=O)[O-] 725432736 KLDDVDPUIWCWOY-QWHCGFSZSA-N 462.284 3.989 50 10 JHGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727295252 FETDQSYCVFXGSO-MRXNPFEDSA-N 468.579 3.526 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCc2ccc3ccccc3n2)cc1 729621731 FEAOXKXZWSASJN-ZHZULCJRSA-N 481.512 3.633 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(O)cc2Br)cc1 1084030685 XBRBGCYREOVHNC-SFHVURJKSA-N 465.344 3.916 50 10 JHGE Cc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084094607 CNQGWWQIXHLGGE-UHFFFAOYSA-N 487.585 3.835 50 10 JHGE C=CCC(C)(C)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1478710310 BWMMRLVMCIKXQV-UHFFFAOYSA-N 458.584 3.651 50 10 JHGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1960074751 UBRRFBNSNYVXJO-FDDCHVKYSA-N 480.989 3.860 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)[C@@H]1CCOC1 2009621157 BPKFPPMXRNTJRJ-CYBMUJFWSA-N 479.190 3.917 50 10 JHGE CO[C@@H](CCBr)CNC(=O)c1cc(Br)ccc1I 2049496818 XJXOTNKGEIMURU-VIFPVBQESA-N 490.961 3.584 50 10 JHGE COC1CC(CBr)(NC(=O)c2scc(Br)c2Br)C1 2077898641 GYXWZUKBBBOSNY-UHFFFAOYSA-N 462.001 3.945 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@H]2[C@@H]1CBr 2078299776 VSRRCULWWRNVKI-VMAXQDLPSA-N 484.957 3.909 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC([C@H](F)CBr)C1 2086150030 VYTANEOMPGSJSK-SNVBAGLBSA-N 490.936 3.859 50 10 JHGE O=C(NCC1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1)OCc1ccccc1 2106774508 XIZDXJDJYXDFHH-UHFFFAOYSA-N 481.412 3.909 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162595669 YOIPQIYSAUANKT-WBVHZDCISA-N 461.422 3.943 50 10 JHGE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CBr)cc1 2163052414 DEAPKSHPNQAYNZ-QGZVFWFLSA-N 461.422 3.848 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2163052625 GAQZMFHJQXFUKH-AUUYWEPGSA-N 461.422 3.753 50 10 JHGE CN(Cc1cc(Cl)ns1)S(=O)(=O)c1cc(CBr)oc1Br 2179786749 FNICFVDNVDHQES-UHFFFAOYSA-N 464.588 3.868 50 10 JHGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N(C)CCCOCc1ccccc1 2179825008 BTTZMAUMFSMFPO-UHFFFAOYSA-N 458.422 3.512 50 10 JHGE O=C(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1ccc(I)cc1 2192584061 WNWXUDWGRLWLST-JQWIXIFHSA-N 462.047 3.985 50 10 JHGE CC[C@](C)(CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1ccc(B(O)O)c(C(F)(F)F)n1 2240321808 NDZJOGBPEYZMDE-JOCHJYFZSA-N 482.308 3.765 50 10 JHGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 2295914186 JYEPPAIYFPFJTM-UHFFFAOYSA-N 498.586 3.600 50 10 JHGE CCOc1ccc(C=NNC(=O)COc2c(C)cc(I)cc2C)cc1 2297708086 CVXCTZYSMPVULV-UHFFFAOYSA-N 452.292 3.836 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NCC[C@H]1CCC[C@H]1Br 2338681105 WPLLVYZCJIGBJF-HTQZYQBOSA-N 457.992 3.629 50 10 JHGE COc1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)c(I)c1 910290 CVLGSXNFFQBDRI-SSDVNMTOSA-N 476.270 3.688 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCC(C)C 14034409 OEQCAFFRSKZIGX-UHFFFAOYSA-N 463.987 3.788 50 10 JHGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14034488 UBAYPOXPBZCPSS-UHFFFAOYSA-N 470.595 3.655 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1cccnc1 58990408 INYMEUMGISZNBG-OGLMXYFKSA-N 487.589 3.656 50 10 JHGE CCOc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1OCC 59464035 RRPIPGQJGSWVNK-JVWAILMASA-N 495.601 3.652 50 10 JHGE O=C(c1scc(Br)c1Br)N1CCOC[C@@H]1CCBr 705447673 JQQWFAXMEWMQEC-ZETCQYMHSA-N 462.001 3.899 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCC(OCCCl)CC1 721573167 OMHNSDFXSLQIEL-UHFFFAOYSA-N 472.548 3.914 50 10 JHGE CCOC(=O)c1c(OC(F)(F)F)cc(CBr)nc1I 1848387802 WKWWVSBWJCWYSB-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 2030275565 QMJGPWACVZGQHI-OWUUHHOZSA-N 484.957 3.767 50 10 JHGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(I)c(O)c1 2159048929 JASFGVLQPHXESO-LBPRGKRZSA-N 460.056 3.632 50 10 JHGE CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2163054485 XRHTUYWRDFPZHN-MRXNPFEDSA-N 461.422 3.992 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@]2(CCl)CCC[C@H]12 2165236980 VVGQSDNGWGSCNP-PGRDOPGGSA-N 453.004 3.512 50 10 JHGE CC[C@]1(CBr)COCCN1C(=O)c1cccc(C)c1I 2169033351 OBVOUTZHORJXCQ-HNNXBMFYSA-N 452.130 3.616 50 10 JHGE O=S(=O)(c1cc(F)ccc1CBr)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179779166 JDQHXQNOFGTRNJ-KDURUIRLSA-N 453.377 3.758 50 10 JHGE O=C(c1csc(I)c1)N1CCOC2(CCC(Br)CC2)C1 2190047341 PXYBFDUEWRNUAQ-UHFFFAOYSA-N 470.170 3.901 50 10 JHGE CN(C(=O)c1cc(I)sn1)[C@@H](CBr)c1ccccc1 2278821006 ANCKRCWQWROIFX-NSHDSACASA-N 451.127 3.956 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCC(I)CC1 2301786614 FSLQKXJIDSICFM-UHFFFAOYSA-N 475.495 3.984 50 10 JHGE CC(C)[C@H](CBr)N(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2318882410 LGJCIMWUELGIDU-SFHVURJKSA-N 473.433 3.524 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2336331610 KEUOAUDQVUQQEM-CAHLUQPWSA-N 469.064 3.678 50 10 JHGE C[C@H](Br)C[C@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338849965 NTCOGZPAYGRDAO-DLBZAZTESA-N 485.444 3.811 50 10 JHGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2367001673 FECFMCKUGSHPCX-CSNJMZFVSA-N 497.455 3.809 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(Br)c1 14007479 GERZWGGYBHXVHU-LBPRGKRZSA-N 455.736 3.659 50 10 JHGE C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(F)cc2F)o1 16322171 XDPSVKJOQKAXKE-LFWZTCNZSA-N 454.462 3.831 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823898 AQXOGMHGAWAJHH-YZSQISJMSA-N 465.441 3.863 50 10 JHGE COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2ccc(Cl)cc2Cl)ccc1O 59384242 FSHPKCIRGDJMGI-DMYCNYMVSA-N 465.362 3.651 50 10 JHGE O=C(Oc1ccc(C=NNC(=O)[C@H](O)c2ccccc2)cc1)c1ccc(Br)cc1 252617355 KRARDTQYPNEEJK-HXUWFJFHSA-N 453.292 3.852 50 10 JHGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(=O)O)nc3ccccc3c2=O)cc1 254399532 AHVRUEVMBNOZRL-UHFFFAOYSA-N 472.526 3.635 50 10 JHGE CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 254517132 KNNNENKGDNXCQR-QCMCDIMTSA-N 475.480 3.721 50 10 JHGE COc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254816117 LQMFRTVLZHILDT-UHFFFAOYSA-N 481.508 3.948 50 10 JHGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)oc1Br 383191234 XMMMRTNMHGSGDB-OAHLLOKOSA-N 461.809 3.924 50 10 JHGE COc1ccc(C(=O)NN=Cc2cc(Br)c(O)c(OC)c2)cc1Br 1084117665 DNDNQBCLMHACFW-UHFFFAOYSA-N 458.106 3.698 50 10 JHGE C#CCn1ccc(CN(CCOC)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)n1 1520238295 DCVPJCIINUIVBS-CJLVFECKSA-N 459.525 3.645 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681192 HHEIOQTWLCGDPX-NRFANRHFSA-N 453.458 3.572 50 10 JHGE CCOc1cc(C(=O)NNC(=O)CCC(=O)c2ccc(C)cc2C)cc(OCC)c1OCC 1865760156 JRICVJGVGGYJSL-UHFFFAOYSA-N 456.539 3.924 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1nc2sccn2c1CBr 1912989352 JUFZPVYQZYJOTQ-UHFFFAOYSA-N 470.352 3.705 50 10 JHGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1scc(Br)c1Br 2039818941 NBKDUFCRFRORCV-BQBZGAKWSA-N 462.001 3.803 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2040594151 WDHRFKIZGXMKDL-GEVIPFJHSA-N 459.985 3.507 50 10 JHGE CCOC(=O)Cc1c(I)ccc(I)c1CCl 2055322264 CODMSXMPMRVVHF-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE CN(CC1(Br)CC1)S(=O)(=O)c1cc(CBr)sc1Br 2076250652 OWOYRZDROFIVFK-UHFFFAOYSA-N 482.057 3.954 50 10 JHGE O=C(NC[C@H](Cl)C(F)(F)F)c1ccc(Br)cc1I 2086148513 BOKQVTACTFTYHL-QMMMGPOBSA-N 456.427 3.953 50 10 JHGE CSCC[C@@H](Br)CCNC(=O)Cc1ccccc1I 2090378944 GZZLXNQKWRWLCV-LBPRGKRZSA-N 456.187 3.857 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1CCCC[C@H]1Br 2123028988 HLNQMDZXIVONRK-MAUKXSAKSA-N 485.444 3.572 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@]2(CCl)CCCC[C@H]12 2165234788 OEPROYCMWKENSS-UGKGYDQZSA-N 453.004 3.656 50 10 JHGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(CCBr)cc2)C1 2179787519 QCYQJGPESFCOAC-HXUWFJFHSA-N 451.430 3.909 50 10 JHGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CBr)ccn1 2179812530 RDZHESQQRCTKCH-ZACQAIPSSA-N 452.418 3.649 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 2181740937 HGDSHOPNOKBPMP-UHFFFAOYSA-N 480.406 3.993 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@@H](CBr)OCC12CC2 2183975027 UGWHWOTVRGXVPL-SECBINFHSA-N 467.983 3.980 50 10 JHGE C[C@H](c1nscc1Br)N(C)S(=O)(=O)CCC(F)(F)CBr 2186593476 UWUMYLQUZROJFB-SSDOTTSWSA-N 456.172 3.649 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC[C@]2(C[C@H](Cl)CO2)C1 2201782182 WMMFBGPGILCUNK-XPTSAGLGSA-N 470.532 3.666 50 10 JHGE O=S(=O)(N[C@@H]1COC2(CCC2)[C@H]1Br)c1cc(Cl)c(Br)s1 2206487545 WFFGIPBQOKBOMU-APPZFPTMSA-N 465.616 3.527 50 10 JHGE Cc1cc(C(=O)N2CC[C@H](OCCCBr)C2)ccc1I 2207108631 XVAZZLQIAJWUJI-ZDUSSCGKSA-N 452.130 3.616 50 10 JHGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1ccc(I)c(O)c1 2208040614 UBDIVRHVJDYUNB-HUUCEWRRSA-N 450.114 3.682 50 10 JHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)[C@H](Cl)c2ccccc2)C1 2259430445 FDTNSVVZMZWJPI-GOSISDBHSA-N 467.994 3.939 50 10 JHGE COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1OC 2295672704 UVCITWDLCJKIDQ-QHCPKHFHSA-N 490.535 3.957 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OC(C)=O 2313568331 UUKUGOAFXHAGEU-UHFFFAOYSA-N 484.350 3.639 50 10 JHGE CCC1(NC(=O)OC(C)(C)C)CC(NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2325588787 UMDJGMCUFMUMPA-UHFFFAOYSA-N 493.692 3.773 50 10 JHGE C[C@@H](C(=O)NN=Cc1ccc(F)c(Br)c1)n1cnc2sc3c(c2c1=O)CCCC3 2325902783 BXCLEFSBADNUFC-NSHDSACASA-N 477.359 3.950 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@]1(C)CBr 2338844344 ZWEXMPWGJCLPOU-KKSFZXQISA-N 485.444 3.526 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC1(CCBr)CCSCC1 2364020393 ZRVNFSAOXCHXDR-UHFFFAOYSA-N 490.059 3.726 50 10 JHGE C[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CC[C@@H]1CCBr 2364025571 ZLDXMPQQPAJUOY-BDAKNGLRSA-N 472.019 3.828 50 10 JHGE C[C@@]1(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@@H]2Br 2380916014 ZGZWICQNQZKSGG-FMERGGRFSA-N 497.455 3.715 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1 12582941 IAIYNZUDCLMFQI-SNVBAGLBSA-N 462.127 3.750 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1 13976392 FFMQDPOPXFJRBZ-UHFFFAOYSA-N 465.575 3.617 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)CCC1CCCCC1 14029320 UHJRHBALQJQXDH-UHFFFAOYSA-N 456.406 3.519 50 10 JHGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1Br 14041297 BNABZXPQKBPOJD-UHFFFAOYSA-N 451.317 3.720 50 10 JHGE Cc1cc(C(=O)NNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)o1 26991365 XCGLRPPDQOWTSZ-UHFFFAOYSA-N 454.405 3.501 50 10 JHGE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccccc1 33857962 NZQGGFSUMFOYMC-VKAVYKQESA-N 459.618 3.971 50 10 JHGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 38650142 DIFDWXTZWAMIOW-DEOSSOPVSA-N 473.441 3.806 50 10 JHGE CC(=O)OCC(=O)[C@]1(OO)[C@@H](C)C[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@@]21C 504213884 VZKVPNVMKJHQHX-SCIPVTKNSA-N 488.577 3.689 50 10 JHGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OC 1083982772 GLEPTDQFZKEWNE-QGZVFWFLSA-N 482.318 3.662 50 10 JHGE COC(=O)c1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 1084220315 BZQYSRWSKWWTAZ-UHFFFAOYSA-N 493.585 3.820 50 10 JHGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNc2ccc(Br)cc2C)cc1 1310131566 OZVGDUIPEAVNDY-UHFFFAOYSA-N 453.362 3.713 50 10 JHGE CC(=O)N1C[C@@H](CI)[C@H](c2ccc(C)c(I)c2)C1 1614809191 OOSRIFWJXBVOHS-OLZOCXBDSA-N 469.104 3.597 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)c1 1865852371 UKGAJOKGIQMHCH-AEFFLSMTSA-N 480.634 3.931 50 10 JHGE O=C(NC[C@H]1C[C@@H]1Br)c1cc(I)ccc1Br 1991445914 XVZJMLBBSSQFQW-LDWIPMOCSA-N 458.919 3.567 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H]1C[C@@H]1C1CCOCC1 2022694755 COFRKITVSGCMLB-DAYGRLMNSA-N 453.361 3.784 50 10 JHGE CCOC(=O)c1c(I)cc(I)cc1CBr 2055232667 ZHRQLNYXFCCOPC-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE COC(=O)Cc1c(CBr)ccc(I)c1OC(F)(F)F 2055364456 IVPFTICHAXJCQB-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)Cc1ccc(Br)cc1 2226102990 WTPFOGOHCDBHMG-GXFFZTMASA-N 460.175 3.718 50 10 JHGE CC(C)(C)OC(=O)N1CC(N(CCCCI)CC2CCOCC2)C1 2248243651 BJCQXEUVXUQJAA-UHFFFAOYSA-N 452.377 3.550 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1CCOCCI 2306802020 LKNCZJQAKUQTCK-HOTGVXAUSA-N 452.377 3.692 50 10 JHGE O=C(C=Cc1cccs1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 2313620179 UBDZXJHQJNUAOL-UHFFFAOYSA-N 490.404 3.778 50 10 JHGE CCc1nn(-c2cc(CBr)cc(OC)n2)c(CC)c1I 2364783439 KAWFTYPNGPGSQI-UHFFFAOYSA-N 450.118 3.900 50 10 JHGE COc1cccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)c1O 12482962 FCAMDTSNBXIBPK-DNTJNYDQSA-N 472.133 3.763 50 10 JHGE Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3cc(Br)c(C)cc32)c(Br)c1 12581897 LVFHHOWGUHMZTH-UHFFFAOYSA-N 481.144 3.680 50 10 JHGE Cc1ccc2c(c1)/C(=N/NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)N2 15018484 YLUNCENISRHTHN-LABNAMAPSA-N 450.498 3.795 50 10 JHGE Cc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 33404179 CNFKQTUTWGPDSP-WJDWOHSUSA-N 458.543 3.596 50 10 JHGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1)C(=O)N2CC(C)C 38180388 RADGDHHCKRWNSK-OLFWJLLRSA-N 464.566 3.509 50 10 JHGE Cc1ccc(SCC(=O)NN/C=C2\C(=O)N(c3ccc(Cl)cn3)C(=O)c3ccccc32)cc1 38183845 WVMRXEFJZFCRGC-MOSHPQCFSA-N 478.961 3.984 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38688207 KLLMIMFYSOVOCC-XZOQPEGZSA-N 471.425 3.558 50 10 JHGE COc1ccccc1Oc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 40795623 VCGXVFJUYPYTLF-UHFFFAOYSA-N 450.282 3.689 50 10 JHGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 40890409 JNXSATLLVVOWMF-UQNIYPKTSA-N 450.491 3.764 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)O 59304314 DCKATXFQVQRHOA-LSHDLFTRSA-N 461.268 3.821 50 10 JHGE C/C(CC(=O)Nc1ccccc1Br)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 100958702 NSSPBTCRVDFRCB-WYMPLXKRSA-N 465.735 3.870 50 10 JHGE O=C(CCC(=O)Nc1ccc(I)cc1)NN=Cc1ccccc1Cl 252610076 HYYREKFMGXGTHQ-UHFFFAOYSA-N 455.683 3.814 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccc(O)c(OCC)c1 1084274145 OUKDFQXSIPFTNZ-UHFFFAOYSA-N 465.579 3.596 50 10 JHGE C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 1086849249 LWDGMKFPKKEGIC-AHQQAOBSSA-N 453.352 3.864 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1 1562543048 ILRNULADUISHOE-OAHLLOKOSA-N 459.462 3.713 50 10 JHGE COc1cc(C(=O)N2CCC(C(=O)Nc3ccc(SC#N)cc3)CC2)cc(OC)c1OC 1860589198 OCBIECBUINQXEA-UHFFFAOYSA-N 455.536 3.776 50 10 JHGE CCCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771115 KFKAINTYJKCHCU-SCGCXBKJSA-N 494.617 3.793 50 10 JHGE CCCOc1ccc([C@@H](CC(=O)O)NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)cc1OC 1866214104 REAQDGRHFMFPPA-VOSMRYOYSA-N 482.533 3.748 50 10 JHGE O=C(N[C@@H](CBr)CC1CCOCC1)c1csc(I)c1 1883299216 BKQZOVDAABTLHC-LLVKDONJSA-N 458.159 3.663 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](I)C1 1994517067 VAVXBEPLAUCRNR-QMMMGPOBSA-N 458.919 3.861 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c1CBr 2179793803 YYVWVGHCCPUDLU-ROUUACIJSA-N 453.402 3.544 50 10 JHGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 2179862791 BOTLDOAQOVUYFH-SFHVURJKSA-N 455.393 3.924 50 10 JHGE O=C(c1cc(I)ccc1F)N1CC[C@@H](C(F)(F)CBr)C1 2197762327 HUHILNICKHPXTB-MRVPVSSYSA-N 462.047 3.923 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCI)[C@]2(CCCOC2)C1 2214711510 LOPQCPOFJRGBSN-CRAIPNDOSA-N 452.377 3.740 50 10 JHGE O=S1(=O)CC([C@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2260065190 HJFNXNMUQTZEBA-QMMMGPOBSA-N 468.939 3.970 50 10 JHGE C=CC[C@@]1(CCl)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2287760155 IQBLSUBWPQOEBK-QFIPXVFZSA-N 453.004 3.680 50 10 JHGE COc1cccc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)Nc2ccc(OC)cc2OC)c1 2297660028 UBSMCGNPXISRST-QHCPKHFHSA-N 476.533 3.596 50 10 JHGE COC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(I)cc1C 2325185244 OLTCWRWWCWGZAC-UHFFFAOYSA-N 461.259 3.844 50 10 JHGE COc1ccccc1/C=C\C(=O)N/C(S)=N\NC(=O)COc1ccccc1-c1ccccc1 33722494 IGAPBQXWYJXNSG-NXVVXOECSA-N 461.543 3.888 50 10 JHGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2)cc(Br)c1O 39724887 WPSCTINGMIFDCU-MFKUBSTISA-N 476.371 3.994 50 10 JHGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1OC 39893695 LXPHCXBTYUJJDC-XSFVSMFZSA-N 476.489 3.668 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cc(=O)n2nc(C)sc2n1 96484408 ISWJSZYECABUDB-SXGWCWSVSA-N 491.504 3.732 50 10 JHGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(OCC)cc2)c(OC)c1 207145158 WIHUBOGOKZDXMR-RGEXLXHISA-N 452.507 3.902 50 10 JHGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1 254521341 IGCAFCIVWLJOEH-UHFFFAOYSA-N 473.529 3.965 50 10 JHGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1083998391 JQJRKVCSVXCFBA-UHFFFAOYSA-N 485.949 3.611 50 10 JHGE O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(N(CCCl)CCCl)cc1 1084347866 YLNFHXVETVLFTF-CAPFRKAQSA-N 460.361 3.675 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)CC1 1260512395 VPLAHMCVAOLMAK-MRXNPFEDSA-N 461.422 3.897 50 10 JHGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1O)CCC2 1772751384 ALVQTDKXASIEDS-UHFFFAOYSA-N 461.474 3.803 50 10 JHGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N(CC#N)CC#N)c(C)c43)coc2c1 1772752206 YVZGLSUNFGUIET-UHFFFAOYSA-N 471.517 3.840 50 10 JHGE COC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c(C(=O)OC)c1C 1866129021 YJVFBNWQOOZKGQ-XYOKQWHBSA-N 463.309 3.938 50 10 JHGE COc1cc2[nH]c(C(=O)O)c(/C=N/NC(=O)CSc3nc4ccccc4s3)c2cc1OC 1873496333 MSBAQUCFUXDESK-LSFURLLWSA-N 470.532 3.735 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(I)ccc2Br)[C@H]1Cl 1910987648 YWJBAQUUVMAGON-WDEREUQCSA-N 458.521 3.568 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)CI 1983327671 OVRXKGIYAZLSGZ-UHFFFAOYSA-N 452.314 3.509 50 10 JHGE Cc1cc(C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)c2c(C3CC3)noc2n1 2080418035 JDLWMXBKGGWHPA-UHFFFAOYSA-N 451.483 3.675 50 10 JHGE ClCc1nc(N2CCC[C@@]3(CN(Cc4ccccc4)CCO3)C2)ncc1Br 2151752292 RROKBAILJHTWMY-HXUWFJFHSA-N 451.796 3.849 50 10 JHGE O=S(=O)(C1CCC(CBr)CC1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179827174 BDISKAJKDOKTNY-MNLRITNHSA-N 455.462 3.868 50 10 JHGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1cc(Cl)ccc1I 2195500400 USCSXUFLBHHAGX-MWLCHTKSSA-N 472.548 3.865 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CC[C@H](N2CCN(CCCCCI)CC2)C1 2220224698 XOISBPXCEGOGLH-IRXDYDNUSA-N 465.420 3.655 50 10 JHGE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1 2282687197 BZMSFUFQUWYYKJ-UHFFFAOYSA-N 496.504 3.930 50 10 JHGE O=C(c1c(F)cccc1I)N1CC[C@@H](C(F)(F)CBr)C1 2282766301 LSGJQMFTBBDQAZ-MRVPVSSYSA-N 462.047 3.923 50 10 JHGE C[C@@H](NC(=O)C(C#N)=C1N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccccc1 2296842968 PGEXNCTZQKDCTN-MRXNPFEDSA-N 465.469 3.897 50 10 JHGE CCOCCCNC(=O)C(C#N)=Cc1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1 2297381868 GPCTTYHVBJBFNE-UHFFFAOYSA-N 452.507 3.511 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCN(Cc2ccccc2)CC1 2325587787 IGQOEJQWHDXQHL-QHCPKHFHSA-N 483.700 3.992 50 10 JHGE CC(C)(C)C[C@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338836571 MBCKYWFFTSVVMX-INIZCTEOSA-N 487.460 3.962 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@]12CCC[C@]1(CBr)C2 2364192198 YZMLOOQMIYUTGM-YADHBBJMSA-N 497.455 3.718 50 10 JHGE COc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1Br 12490061 BBMRDFKEGIEPLY-UHFFFAOYSA-N 486.160 3.677 50 10 JHGE COc1ccc(/C=C\C(=O)N/C(S)=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 33386727 XJYPCKAQBNNFAO-SXGWCWSVSA-N 461.543 3.888 50 10 JHGE Cc1ccc2c(Nc3ncnc(NNC(=O)Cc4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])cccc2n1 40659277 KWJOEZAYRKALFC-UHFFFAOYSA-N 474.437 3.579 50 10 JHGE Cc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1 58990470 ZUMYNKDRQYPYCC-YDZHTSKRSA-N 473.400 3.752 50 10 JHGE CC1(C)CN(C(=O)c2cc(I)ccc2Br)C[C@@H](CCl)O1 232796191 FCTSVKYCXVMPJB-SNVBAGLBSA-N 472.548 3.912 50 10 JHGE Cc1ccc(C)c(NC(=O)COc2ccccc2C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)c1 254308378 KUQTWVJFOCKWQU-HXUWFJFHSA-N 472.545 3.648 50 10 JHGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 312244201 AWSZNSQVWYOJPR-OLZOCXBDSA-N 471.154 3.629 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c(-c2ccc(Cl)cc2)n1 915858361 GVMVQMIWCOLDKZ-XMHGGMMESA-N 499.962 3.599 50 10 JHGE O=C(COc1ccccc1C=NNC(=O)C(=O)NCc1ccccc1)Nc1cccc(Cl)c1Cl 1083940799 FEYVTHPGQJMIAE-UHFFFAOYSA-N 499.354 3.777 50 10 JHGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cccc2ccccc12 1084459206 SYLPWKNGJXLOAU-UHFFFAOYSA-N 488.503 3.617 50 10 JHGE CCOc1cc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)ccc1O 1084480708 NPJLZVCEQFEGAW-UHFFFAOYSA-N 497.573 3.535 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(CBr)cc1)C2 1260505852 SJMUNUKLDYARTM-UHFFFAOYSA-N 459.406 3.603 50 10 JHGE O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccc(CCCl)cc2)C1)OCc1ccccc1 1475260199 PGNBDHWFCAURSS-HXUWFJFHSA-N 450.988 3.795 50 10 JHGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)c2sc(Cc3ccccc3)nc2C)CC1=O 1865845916 ZLICGAOALJNGRL-HXUWFJFHSA-N 476.602 3.727 50 10 JHGE O=S(=O)(CCOCCCl)Nc1c(Br)cc(Cl)cc1Br 1876992117 JAKVGBDBFCUESJ-UHFFFAOYSA-N 455.983 3.862 50 10 JHGE O=C(NC[C@H]1C[C@H]1CBr)c1cc(Br)ccc1I 1907254776 OJXNLDRUXZWMRO-JGVFFNPUSA-N 472.946 3.815 50 10 JHGE CC(C)(C)C[C@@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233871 YIRTUESETBCZLU-OAHLLOKOSA-N 473.433 3.572 50 10 JHGE C[C@H](Br)[C@@H]1CCN1S(=O)(=O)c1cc(Br)ccc1Br 2061821414 NLRBGBGDMBNIPC-XVKPBYJWSA-N 462.001 3.758 50 10 JHGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(CCBr)s2)C1 2123241885 PIFNAQYOEIILGJ-QGZVFWFLSA-N 457.459 3.971 50 10 JHGE Cc1nscc1CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2179785184 IQXAXJVBJWCQDM-UHFFFAOYSA-N 460.238 3.991 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1F)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179793885 ZUIVICHBLGBIAF-ROUUACIJSA-N 453.377 3.616 50 10 JHGE CN(Cc1nn(C)nc1Br)c1ccc(CBr)cc1Br 2226955077 HIDVNCFLVIYFKM-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(I)ccc1Cl 2272638782 ITLPDPBTDPHEHX-TVYUQYBPSA-N 461.521 3.891 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccs2)cc1 2313620104 OLNJUYHUBJDHDK-UHFFFAOYSA-N 464.572 3.658 50 10 JHGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(OCC)c1 2314808170 NBIXXBMKDUKYMM-UHFFFAOYSA-N 454.435 3.756 50 10 JHGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCCCCCC(=O)O 2324982593 XRBQGUDFVAJDSW-UHFFFAOYSA-N 460.578 3.562 50 10 JHGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325385037 BDMXLFWECYGGEU-UHFFFAOYSA-N 498.914 3.711 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2CCc3nccn32)C1 2326870477 LFKLBZZECRAISJ-KBXCAEBGSA-N 461.344 3.592 50 10 JHGE COc1c(Br)cc(Br)cc1C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C 2328818664 FGABXIKECIJHDS-VIFPVBQESA-N 479.169 3.584 50 10 JHGE COC(=O)c1c(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)sc(C(C)=CC#N)c1C 2331562484 HWKZNELUTRKVHB-UHFFFAOYSA-N 459.911 3.788 50 10 JHGE ClC[C@H]1N(c2ncc(I)cc2Br)CC12CCOCC2 2352919778 REGRBGOJXABWGN-LLVKDONJSA-N 457.537 3.673 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCl)[C@H]1CC=CCC1 2364213594 HVVUEFOSKGBLEY-FXAWDEMLSA-N 453.004 3.726 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCl)CC1CCCC1 2364214725 PIDRKMRYPNEWHB-SFHVURJKSA-N 455.020 3.950 50 10 JHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1 14030620 ZTBFBMZOVORAPX-UHFFFAOYSA-N 451.548 3.589 50 10 JHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 14030633 WCQVQOKUCDCJOY-UHFFFAOYSA-N 470.595 3.655 50 10 JHGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 34262917 STBOPYCXZSRNKY-SCOADAFUSA-N 485.327 3.996 50 10 JHGE Cc1ccccc1N1CCN(C(=O)c2n[nH]c3c2CN(C(=O)c2ccc(CCCl)cc2)CC3)CC1 34809686 GXNDOPPZPBAWIP-UHFFFAOYSA-N 492.023 3.660 50 10 JHGE Cc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1 58990468 FCEDSRHWXFKMSK-YDZHTSKRSA-N 473.400 3.752 50 10 JHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(OC)cc3)cc2)cc1 254351781 PIDPOUDTQQBNEM-UHFFFAOYSA-N 475.501 3.792 50 10 JHGE Cn1cc(C(=O)NNC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)c2ccccc21 725875384 FRYPVTXEUNBSIZ-UHFFFAOYSA-N 485.382 3.633 50 10 JHGE C[C@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc21 914763904 AVKJTJXYWGLYTG-OGTCDWKQSA-N 450.546 3.938 50 10 JHGE O=C(COc1cccc(Br)c1)NN=Cc1cc(Br)c(N2CCCC2)o1 1083989229 LFXUWNRWWSLXGV-UHFFFAOYSA-N 471.149 3.934 50 10 JHGE C[C@@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccccc1 1084459164 DDBDWNWHMQPYPD-QGZVFWFLSA-N 478.936 3.685 50 10 JHGE CC(=O)CCc1ccc(O[C@H](C)C(=O)NNc2ccc([N+](=O)[O-])cc2Br)cc1 1448162420 OIPAEAGGPNHFHJ-CYBMUJFWSA-N 450.289 3.790 50 10 JHGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cc2)cc1 1650639799 DCLIDYDAJQADGS-UHFFFAOYSA-N 456.458 3.648 50 10 JHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)cc1 1772749648 NXKKBXQXPQKKQB-UHFFFAOYSA-N 476.485 3.829 50 10 JHGE CC(C)CSc1ccccc1C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1865851595 FAPJVKPDHLVQOW-UHFFFAOYSA-N 470.620 3.546 50 10 JHGE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)cc2)n1 1866129035 ZDBLFUXCJHXUBW-FOWTUZBSSA-N 498.362 3.894 50 10 JHGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1c(Br)cccc1Br 1878695611 JOEPPYNWOODDPK-LDYMZIIASA-N 455.972 3.741 50 10 JHGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1C[C@H]1Br 1893149055 ZAYUWVPDRCRWAR-DZOHQFGASA-N 455.393 3.727 50 10 JHGE O=C(N[C@@H](CCl)C(F)(F)F)c1cc(I)ccc1Br 2030004318 FKYYETGJEVLFFE-QMMMGPOBSA-N 456.427 3.953 50 10 JHGE O=[N+]([O-])c1cc(CBr)c(I)cc1I 2060226142 ULDSNDKHRWAPJV-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2cc(Br)cc(Br)c2)C1 2109023465 KRGBHVJZLUQWFD-VXGBXAGGSA-N 455.972 3.836 50 10 JHGE C[C@@H]1[C@@H](C)N(S(=O)(=O)c2ccc(CBr)cc2)[C@H](C)CN1C(=O)OC(C)(C)C 2163056480 SDTUHPZKLYSPDQ-RBSFLKMASA-N 461.422 3.988 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(CC2(CBr)CCOCC2)CC[C@@H]1C(F)(F)F 2163059526 UKCVUQUEQQQWNW-UONOGXRCSA-N 459.347 3.956 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1c(Br)cccc1Br 2178906611 KWYDFFQXUNLNAF-NXEZZACHSA-N 469.015 3.751 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179826805 XBHIFNPJGBDPDC-HXUWFJFHSA-N 469.470 3.972 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2[C@@H](C1)[C@@H]2C(F)F 2192276809 APFWIFUMCHPWRJ-QMSLJYSESA-N 451.152 3.537 50 10 JHGE C[C@H](Cl)C[C@H]1COCCN1C(=O)c1ccc(Br)cc1I 2207261341 KWLKXDCEPZNXJY-ONGXEEELSA-N 472.548 3.912 50 10 JHGE O=S(=O)(Cc1ccsc1Br)N1CC[C@@H](CBr)C(F)(F)C1 2234497929 UBVYJPVWDRDRPO-VIFPVBQESA-N 453.168 3.693 50 10 JHGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NC[C@H]2CCCO2)ccc1Cl 2296543691 YSDORLJYHUJOFK-GOSISDBHSA-N 464.909 3.651 50 10 JHGE CN1CCC[C@@]1(C)COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2300066526 UJRIWAIBJLNCOM-KRWDZBQOSA-N 452.377 3.692 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@H]1[C@@H]2CBr 2312104205 NSMJPLWOAPCWTA-KOLSJAJHSA-N 484.957 3.909 50 10 JHGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNCCc2ccccc2Br)cc1OC 2325051845 ZTASZZIKCWUEIF-HNNXBMFYSA-N 458.356 3.883 50 10 JHGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)c1 10671745 CMFIHWFUWWTKQL-AWEZNQCLSA-N 494.411 3.649 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1Br 12573046 NPRXTDDGJYMBCV-UHFFFAOYSA-N 472.364 3.625 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Cl)cc1 14644258 JLLXNMMKFJKXOF-SNVBAGLBSA-N 462.127 3.750 50 10 JHGE CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668150 GOAQNEBAVZYVCR-UHFFFAOYSA-N 462.344 3.545 50 10 JHGE COc1cc(CCC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc(OC)c1 15429880 AXWHOZMSHBCSMI-UHFFFAOYSA-N 452.482 3.816 50 10 JHGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Oc1cccc2cccnc12 40752168 PCNOOTFAJFHQRS-UHFFFAOYSA-N 451.284 3.919 50 10 JHGE CCOc1ccc(N/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 209906130 QVVVBPYZPMYTLD-JWGURIENSA-N 461.518 3.850 50 10 JHGE CCn1c(SCC(=O)NN=C/C=C/c2ccccc2)nnc1-c1ccc(OC)c(OC)c1 254877747 PGYLEZTXBNTVNC-VOYNMMNZSA-N 451.552 3.890 50 10 JHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751560 UMRMAADMTLNRMZ-UHFFFAOYSA-N 495.539 3.610 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865709174 PYXFGQOGBKFRHY-KRWDZBQOSA-N 470.407 3.904 50 10 JHGE COC[C@](C)(CBr)CNC(=O)c1cc(Br)cc(Br)c1 1926998513 FCCMQKFHMMFAIR-CYBMUJFWSA-N 457.988 3.989 50 10 JHGE CC[C@@H](C)[C@@H](CI)NC(=O)Cc1ccccc1I 2081239111 OFPUYASZHFLHNU-ZWNOBZJWSA-N 471.120 3.800 50 10 JHGE O=C(NC[C@@H]1C[C@H](Cl)CCO1)c1ccc(I)c(Br)c1 2097944191 BNNVEWYLFOHITK-ZJUUUORDSA-N 458.521 3.570 50 10 JHGE C[C@@](CBr)(NC(=O)c1cccc(F)c1I)C(F)(F)F 2105096011 NBKAOKPPWPESSZ-JTQLQIEISA-N 453.999 3.876 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CC[C@H](OCCBr)C1 2109128663 ROEMITYWYKFPAE-JTQLQIEISA-N 455.972 3.838 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2164657040 SRRPUINATNYSSR-CDMKHQONSA-N 450.114 3.775 50 10 JHGE CO[C@H]1[C@@H](CBr)N(C(=O)c2cc(Br)sc2Br)C[C@H]1OC 2233356429 PSNNDGBRWZRHFG-MRTMQBJTSA-N 492.027 3.522 50 10 JHGE Cc1ccc(I)c(C(=O)NC[C@H]2CC[C@H](CBr)CO2)c1 2279407160 IHZLHLGETYWXPQ-VXGBXAGGSA-N 452.130 3.520 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1OC 2313617284 XLFXTSDEROQGMQ-UHFFFAOYSA-N 475.979 3.921 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 2313890475 MXDSGMYIDRZFHN-UHFFFAOYSA-N 475.570 3.866 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2338849349 HGPRUKKPXILVTO-OSYLJGHBSA-N 483.428 3.563 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)[C@@H]1Br 2338853003 UUCMZNIZOZNVRN-MNZLEMJZSA-N 485.444 3.524 50 10 JHGE Cc1c(Br)cc(NCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1Br 1950221 KFEPVFJQVOMODD-UHFFFAOYSA-N 486.120 3.696 50 10 JHGE CCOCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 9819963 SHRKUJCARFPXNK-UHFFFAOYSA-N 453.539 3.696 50 10 JHGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14668035 IAJGJUXSHKDXBX-UHFFFAOYSA-N 460.328 3.660 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668079 KYTQTIMGDDUGCF-UHFFFAOYSA-N 493.354 3.643 50 10 JHGE Cc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 33382409 DTMCDVVCDOBPFH-GDNBJRDFSA-N 472.570 3.905 50 10 JHGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N 40793495 FYHFYWVNONXCJS-UHFFFAOYSA-N 461.309 3.677 50 10 JHGE COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC 59167105 PBOJSJCJGAJGNA-VULFUBBASA-N 464.474 3.754 50 10 JHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598948 JGTBAQHAUBSCIK-ZXVVBBHZSA-N 478.936 3.716 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1cc(Br)ccc1Br 161201893 WCUXFFXPZWQBRV-WCBMZHEXSA-N 455.972 3.836 50 10 JHGE COc1cc(/C=N\NC(=O)c2sc(N)nc2C)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169888432 HPWNZDDQVDIYTL-RMORIDSASA-N 455.496 3.602 50 10 JHGE CCOc1cc2c(cc1/C=C(/C#N)C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)O[C@@H](C)C2 206062761 LVMAEZMRMKHXIS-DEFALTHMSA-N 458.518 3.752 50 10 JHGE Cc1ccc(C(=O)NN=C2C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1 254383635 FHWMPIRZYYVFPF-UHFFFAOYSA-N 455.356 3.682 50 10 JHGE COC[C@@H](Br)CN(C)c1ncc(C(F)(F)F)cc1I 686115359 PNFQTBJVDIKOLD-QMMMGPOBSA-N 453.040 3.551 50 10 JHGE COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1[N+](=O)[O-] 725432734 KLDDVDPUIWCWOY-CHWSQXEVSA-N 462.284 3.989 50 10 JHGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 1084184861 LXYFUBGVTKNZLK-LJQANCHMSA-N 462.930 3.645 50 10 JHGE COc1ccccc1NC(=O)NN=Cc1cc(Br)c(I)o1 1084464288 GLJDGIQGQNHYBX-UHFFFAOYSA-N 464.057 3.811 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Br)cc2Cl)cc1 1465085310 QDMPLDCDGLKPOP-LLVKDONJSA-N 454.708 3.925 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751373 QDZLKXGSYVSRLJ-UHFFFAOYSA-N 461.547 3.690 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=S)Nc1ccccc1)CCC2 1772751748 XTUCBUSSGJZFSW-UHFFFAOYSA-N 465.535 3.591 50 10 JHGE CCOC(=O)c1ncc(I)c(CBr)c1OC(F)(F)F 1848387744 RRQAFIXJOSNCCT-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE O=C(CBr)c1cc(I)c([N+](=O)[O-])cc1OC(F)(F)F 2055243344 MQGLJYLWNHIBPO-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE O=C(NC[C@H]1C[C@H](Cl)CCO1)c1cc(Br)ccc1I 2097938978 RGLFLAWANLYGFE-NXEZZACHSA-N 458.521 3.570 50 10 JHGE O=C(c1csc(Br)c1Br)N1CCN(CCCBr)CC1 2113616876 QSGOWFVNXCJTDS-UHFFFAOYSA-N 475.044 3.816 50 10 JHGE O=S(=O)(c1cc(CBr)cs1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2123236316 GTCJLJRLRUJESD-QZTJIDSGSA-N 455.443 3.786 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2I)C[C@H]1Br 2130824887 SRLOEWRTWJITNP-MKPLZMMCSA-N 458.521 3.615 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@@H](OCCBr)C1 2170213131 GSXBWGQWSBHCTA-LLVKDONJSA-N 472.548 3.961 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2ccc(CCBr)cc2)[C@H](C)CN1Cc1ccccc1 2179788539 DEKUHIWWEFVVGP-QZTJIDSGSA-N 451.430 3.908 50 10 JHGE Cc1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)cc(CBr)c1F 2179862153 RYHDVDTWFSMEMK-UHFFFAOYSA-N 455.393 3.926 50 10 JHGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(Br)ccc1[N+](=O)[O-] 2201198043 INTWZAJBVOKBJZ-KCJUWKMLSA-N 455.090 3.937 50 10 JHGE CN(C1(CBr)CCSCC1)S(=O)(=O)Cc1ccsc1Br 2234488369 GMZRCRNKBSVBJI-UHFFFAOYSA-N 463.282 3.933 50 10 JHGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123422 TVOMKAKXUSJTKI-UHFFFAOYSA-N 495.576 3.891 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@H]1[C@@H]2CBr 2333087469 QAEHRSIRMKYXIJ-NMLBEHRDSA-N 474.012 3.616 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Br)c1 9229495 AQBNKGFVKWFFNQ-IZZDOVSWSA-N 476.327 3.894 50 10 JHGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 10450755 MWYQNHQKPSGHLU-NTEUORMPSA-N 476.514 3.523 50 10 JHGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040785 DTGOWONGTCJPIB-UHFFFAOYSA-N 493.585 3.883 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c(OC)c1 38688447 ISKQNQRYMJKTHK-JWQCQUIFSA-N 486.480 3.667 50 10 JHGE COc1cc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 58929706 MTTLJUKAYSOGRT-JLCFBVMHSA-N 477.473 3.829 50 10 JHGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1C 104706436 GZDVKIAUPIQOJT-JKDHJYAGSA-N 466.607 3.567 50 10 JHGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)cc1OC 254616918 GVHBITBPHGFZAI-UHFFFAOYSA-N 469.567 3.623 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1 254816480 GYYZMKSYJFKODC-UHFFFAOYSA-N 463.446 3.742 50 10 JHGE CCC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1ccc(SC#N)cc1 1866621244 ZODBUAHIXICVOA-IBGZPJMESA-N 477.546 3.968 50 10 JHGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)Cc1cnn(Cc2ccccc2)c1 1916392778 BWPJUXWHZJLXOC-JOCHJYFZSA-N 456.384 3.913 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OC 2053515968 RZTPNVOMFYDTTK-UHFFFAOYSA-N 478.242 3.552 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC2CC(Br)C2)cc1Br 2063149170 HEVGAYXWRKRHGB-UHFFFAOYSA-N 462.001 3.724 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@@H]2[C@H]1CBr 2078299775 VSRRCULWWRNVKI-QOSJWCAFSA-N 484.957 3.909 50 10 JHGE C[C@@H]1CCC[C@@](CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089708384 ZBRHZOWVUFYSDH-IIBYNOLFSA-N 485.444 3.716 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2106989207 QSQLPJJPXMAIPX-YHUYYLMFSA-N 456.324 3.569 50 10 JHGE O=C(NCCN1CCC(Br)CC1)c1cccc(Br)c1Br 2148748883 GFGXRPHXVHENQU-UHFFFAOYSA-N 469.015 3.801 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCCN(CCBr)CC1 2148767948 CJNRAPRPHMJKEZ-UHFFFAOYSA-N 469.015 3.754 50 10 JHGE C[C@@H](Br)[C@H]1CN(c2ncc(C(F)(F)F)cc2I)CCO1 2174154880 ZGJRPAHQWVAEMS-GMSGAONNSA-N 465.051 3.694 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NC(=O)[C@@H](Br)C3CCCC3)CC2)C1 2176130423 SLMLLVUPKWFTGR-HNNXBMFYSA-N 463.438 3.966 50 10 JHGE O=C(c1cccc(F)c1I)N1CC[C@@H](C(F)(F)CBr)C1 2197768763 QGWFYFVOAGCCDX-MRVPVSSYSA-N 462.047 3.923 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268352286 ZJFXAVYATGDCGU-UWVGGRQHSA-N 458.521 3.569 50 10 JHGE COc1cc(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1OC 2313566901 CYNIODDYLBMUEP-UHFFFAOYSA-N 456.340 3.722 50 10 JHGE COc1cc(C=CC#N)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2314795641 CNRVIQPPZOVXPS-UHFFFAOYSA-N 463.446 3.902 50 10 JHGE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2323135040 APMLQRUEZPRMTR-QVKFZJNVSA-N 493.692 3.582 50 10 JHGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1c(F)cc(F)cc1F 2343414631 QGLITRYMERGYQJ-CQSZACIVSA-N 452.292 3.753 50 10 JHGE CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccccc1C 3255652 YTPZAVZUKGGOBC-LZYBPNLTSA-N 462.287 3.970 50 10 JHGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 9229885 OCHBXYRZXKIDPX-NTCAYCPXSA-N 476.514 3.523 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2[C@@H](C)CC)cc1 9872716 OPDQCWBQTVSGRB-ZWKOTPCHSA-N 455.555 3.932 50 10 JHGE COc1cc(OC)c(/C=N/NC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1Br 12577257 OWMOVAWQYWUZSI-FSJBWODESA-N 462.344 3.952 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016950 ODHDHBUYXJJKOV-UHFFFAOYSA-N 467.566 3.923 50 10 JHGE CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(I)cc2)cc1 20594797 KEPZHCNSTVRXBY-FYJGNVAPSA-N 452.292 3.999 50 10 JHGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 33768838 KQVSGRCLFMIYTF-LUDQZLGDSA-N 458.518 3.560 50 10 JHGE CC1(C)C[C@@H](N=C=O)C[C@](C)(CNC(=O)Nc2[nH]nc3c2CCN(C(=O)OC(C)(C)C)C3)C1 170290066 BTSLPASDXGJNKK-CMJOXMDJSA-N 460.579 3.745 50 10 JHGE CCCOc1ccccc1/C=C(/C#N)C(=O)OCCCNC(=O)c1cc2ccccc2oc1=O 206991126 XTYBLJISNMCXJQ-HKWRFOASSA-N 460.486 3.852 50 10 JHGE CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1 254381952 ZBAIQMORWLRUPF-QCMCDIMTSA-N 475.480 3.721 50 10 JHGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 254448846 PMUPXCRQPFTMBX-UHFFFAOYSA-N 464.474 3.704 50 10 JHGE C[C@H](Br)[C@H](C)NC(=O)c1cc(I)ccc1Br 387000055 LWUKFGAOCISZIX-BQBZGAKWSA-N 460.935 3.955 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)O[C@@H](C)c2c(F)cccc2F)cc1 918948928 FEAVHUQHROWIEI-YSKWHIJTSA-N 480.471 3.924 50 10 JHGE COCCCNC(=O)C1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 920741414 AAIPCEUONGCETN-CJLVFECKSA-N 466.557 3.532 50 10 JHGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1c(F)cccc1Cl 1083907718 REXLOPSSVCUPIB-UHFFFAOYSA-N 490.900 3.733 50 10 JHGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1083912845 IPEQZHIKIPAUEH-UHFFFAOYSA-N 495.289 3.681 50 10 JHGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)c(Br)c1O 1083986869 FSSPCNVMECECOF-ZDUSSCGKSA-N 486.160 3.890 50 10 JHGE C=CCn1c(SCC(=O)NNc2cccc(C(=O)OC)c2)nnc1-c1ccc(Cl)cc1 1566759431 XPMFYASQTSODEI-UHFFFAOYSA-N 457.943 3.807 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccs3)cc2)cc1 1858990071 AWYHOPFKVQPHFP-UHFFFAOYSA-N 486.600 3.804 50 10 JHGE CC[C@@H](NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867105165 DTOUHSXKMLGNJO-GOSISDBHSA-N 467.526 3.955 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@@]2(CC[C@](C)(CI)O2)C1 1924233019 ARHXQGLWJYXOHV-SQNIBIBYSA-N 451.345 3.919 50 10 JHGE Cc1cc(C(=O)N[C@H](CI)C(C)C)ccc1I 2026130984 OJISWIWCTLTISG-GFCCVEGCSA-N 457.093 3.789 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1cc(CBr)sc1Br 2076249376 BQNBZKSGQQWZBM-XPUUQOCRSA-N 482.057 3.809 50 10 JHGE O=C(NC[C@H](CBr)C(F)(F)F)c1ccc(F)cc1I 2105270219 LKTJTUFIEGJTQN-LURJTMIESA-N 453.999 3.734 50 10 JHGE O=C(NCC[C@H]1COC[C@@H]1Br)c1ccc(Br)cc1Br 2111279148 GJWHLKAOJDHYFP-UFBFGSQYSA-N 455.972 3.741 50 10 JHGE CC1(C)CO[C@@H](CCl)CN1C(=O)c1ccc(I)c(Br)c1 2167525522 XWALXUNCLBKKEH-JTQLQIEISA-N 472.548 3.912 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](OCCCBr)C1 2207051981 RRKVIXHACHFSQK-NSHDSACASA-N 472.548 3.961 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCCI)C2(CCOCC2)C1 2220219086 XIMHTVRJGGKBFT-MRXNPFEDSA-N 466.404 3.988 50 10 JHGE COc1ccc([C@H](Br)[C@H]2CCCS(=O)(=O)C2)cc1I 2269542423 JZULVYQPGKVUDQ-GWCFXTLKSA-N 459.143 3.561 50 10 JHGE COc1ccc([C@@H](Br)[C@H]2CCCS(=O)(=O)C2)cc1I 2269542426 JZULVYQPGKVUDQ-GXFFZTMASA-N 459.143 3.561 50 10 JHGE CC(C)(C)OC(=O)NCCN1CCN(CCCCCI)C(C)(C)C1 2300620473 NKIBWHSQKYRMPJ-UHFFFAOYSA-N 453.409 3.513 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 2313617043 XCDGHQASNFUHBS-GFCCVEGCSA-N 468.362 3.505 50 10 JHGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccc([N+](=O)[O-])cc4)cc3[nH]2)cc1OC 2323720612 NUMBTZXJGVUBMS-UHFFFAOYSA-N 459.462 3.843 50 10 JHGE C[C@@H](C(=O)NNC(=O)C=Cc1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325886168 BWRAYAHZFYUMAQ-KGLIPLIRSA-N 470.982 3.658 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1ccc(Cl)cc1I 2340053522 BMBFLFICVGDKBK-WCBMZHEXSA-N 458.521 3.569 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2ccc(Cl)cc2I)C1 2340068993 UMWGVDBUIHNLKN-SCZZXKLOSA-N 458.521 3.569 50 10 JHGE CN(CC[C@@H](Cl)c1cccs1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2340668880 DNYVTBYYBHVAPJ-QGZVFWFLSA-N 455.001 3.756 50 10 JHGE C[C@@H]1CC(OC2(CBr)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)S1(=O)=O 2352655994 IVDCELFHWHIHAS-ZIAGYGMSSA-N 454.427 3.522 50 10 JHGE CN(C1(CCl)CC(C)(C)C1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364201865 LVCNTOQKOZJIKH-UHFFFAOYSA-N 455.020 3.902 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OC)cc1Br 14041456 GFCRTKDDLSREPB-UHFFFAOYSA-N 480.384 3.586 50 10 JHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14653126 WBXAGLOBRBQKLQ-UHFFFAOYSA-N 493.354 3.501 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2)c(Br)c1 14832250 FRQFWSOSXNCMAF-OAHLLOKOSA-N 476.371 3.908 50 10 JHGE O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(Br)c([N+](=O)[O-])c1 15626619 WZGPZEGAYKOXHV-UHFFFAOYSA-N 460.240 3.604 50 10 JHGE Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)[C@@H](C)Cl)CC3)c12 35908834 MUPIRLYMLOYXQX-GOSISDBHSA-N 474.996 3.991 50 10 JHGE O=S(=O)(N[C@H]1CCC[C@@H]1Br)c1cc(Br)ccc1Br 122373361 QXXOPAMCSCAWQV-WPRPVWTQSA-N 462.001 3.806 50 10 JHGE Cc1nc2ccccn2c1C(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 725425505 JSDVDCNQWFQTSI-GOSISDBHSA-N 455.518 3.663 50 10 JHGE CC(=O)N(CCC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)Cc1ccccc1 726134406 FJTSCKKFIIWDNA-UHFFFAOYSA-N 463.509 3.605 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccccc1O 1084600748 OJUYPLABRUGNTQ-QGZVFWFLSA-N 450.568 3.803 50 10 JHGE Cc1cccc(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)c1 1084648339 FJBUWJYKBAGZLN-UHFFFAOYSA-N 495.626 3.835 50 10 JHGE CC(C)(C)OC(=O)N1CCN(C(=O)NNC(=O)CC(c2ccccc2)c2ccccc2)CC1 1858082187 NPWAZKPSVVXSKJ-UHFFFAOYSA-N 452.555 3.502 50 10 JHGE Cn1c(=O)oc2cc([C@H](Br)c3cc(I)sn3)ccc21 2120033721 UJNSVCVGHSSPFY-NSHDSACASA-N 451.083 3.677 50 10 JHGE CCCn1cc(S(=O)(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cc1CBr 2179858091 JURBBBGHYXYQSV-SFHVURJKSA-N 454.434 3.688 50 10 JHGE Cc1ccc(C(=O)N[C@H](CBr)C[C@H]2CCOC2)cc1I 2232839072 OZOGDJPSHBBNOA-YPMHNXCESA-N 452.130 3.520 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@@H](Br)[C@H]2COC[C@H]21 2308664555 XLZXGYIZQVBYTJ-BWZBUEFSSA-N 459.985 3.507 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC(C)(CBr)CC1 2338669197 ATRMSOINXWVHPJ-UHFFFAOYSA-N 457.992 3.582 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@](NC[C@H]2C[C@@H](Br)C2)(C(=O)O)C[C@H]1C(F)(F)F 2376561067 PMVHAOUEBHNBEA-MEQWQQMJSA-N 459.303 3.535 50 10 JHGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)ccc1O 12482956 WEYMFIBRRPYPHP-DNTJNYDQSA-N 472.133 3.763 50 10 JHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)c1 14041948 NKGFKZDPBYBVTF-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE COc1ccc2oc(=O)c(C(=O)N/N=C/c3cc(Br)cc(Br)c3O)cc2c1 20074745 XFKFJHVUYKHZHX-ODCIPOBUSA-N 496.111 3.796 50 10 JHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)o2)sc2c1CCCC2 38704517 ASYYXQVYZWWWKK-SQFISAMPSA-N 455.536 3.779 50 10 JHGE CCOC(=O)[C@H]1CCCN(/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 216496796 UCUZDWVYTVELJF-DWCUFGPVSA-N 486.616 3.603 50 10 JHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 254511254 YIQJWHXTHZFUDZ-UHFFFAOYSA-N 464.474 3.704 50 10 JHGE CC(=O)Nc1cccc(C(C)=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 254871192 QSSOYQKLGOJEMZ-UHFFFAOYSA-N 456.549 3.661 50 10 JHGE COc1ccccc1C(=O)NN=Cc1ccccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 263631816 XZPLLNZJSUYZEC-UHFFFAOYSA-N 464.474 3.704 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1 728956269 PIJCWSOAQGVZRH-UHFFFAOYSA-N 467.751 3.689 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)COc1cc(C)ccc1C(C)C)c1ccc(Br)cc1 1470663733 RAAOKJPLIDTHJE-IBGZPJMESA-N 458.356 3.965 50 10 JHGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709976 LMYCIFZKWQYQNV-FQEVSTJZSA-N 479.880 3.986 50 10 JHGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)nc2c1 1872727534 IHWCEUMCCMNYKT-LFYBBSHMSA-N 456.252 3.663 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3cc(Br)c(Br)s3)[C@@H]2C1 2006160728 VRTQJGIYVUPQAH-NFNBNWGISA-N 465.026 4.000 50 10 JHGE CCN(CC)CCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2007036110 KCHQVPQFLUJBMT-SFHVURJKSA-N 454.393 3.940 50 10 JHGE CCn1cc(S(=O)(=O)N(C)[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1CBr 2179786473 AVUZPBOHCRXRRZ-VQIMIIECSA-N 454.434 3.686 50 10 JHGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@H](CCBr)C1 2179951596 ATUKBNZONUBCSV-HXUWFJFHSA-N 460.482 3.572 50 10 JHGE O=C(c1cc(I)ccc1F)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190669725 FNXWVXWPUTXQAX-SKZLGDCLSA-N 456.068 3.909 50 10 JHGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@H]1CCN(Cc2ccccc2)C1 2242049231 JUEUYIHGGFRPLY-FXAWDEMLSA-N 474.383 3.996 50 10 JHGE CN(CCBr)CCN(C)C(=O)Cc1cc(Br)cc(Br)c1 2295318052 VHTRVYGWLLDENQ-UHFFFAOYSA-N 471.031 3.539 50 10 JHGE O=C(COc1ccc(Cl)cc1I)NN=Cc1cc(Cl)ccc1O 2297708265 RLRIESBSDIGVME-UHFFFAOYSA-N 465.074 3.833 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1CCOCCI 2326642396 RVCRPSKLUZPCAE-OLZOCXBDSA-N 480.309 3.606 50 10 JHGE C[C@@H](Br)[C@@H]1CCCN(C(=O)c2c(Br)c(Br)nn2C)C1 2338863012 DNOJMZQXWOXBQF-HTQZYQBOSA-N 457.992 3.581 50 10 JHGE COC[C@@](C)(CBr)CNC(=O)c1ccc(Cl)cc1I 2340063931 MXZOHGIPIYXWRW-ZDUSSCGKSA-N 460.537 3.722 50 10 JHGE COC1(CBr)CCN(C(=O)c2ccc(Cl)cc2I)CC1 2365590300 FGBKWTQVSIHZAF-UHFFFAOYSA-N 472.548 3.961 50 10 JHGE COc1cc(C=NNC(=O)COc2cccc3cccnc23)ccc1Oc1ccc([N+](=O)[O-])cn1 13801076 FKQLJYVDZRLJQO-UHFFFAOYSA-N 473.445 3.868 50 10 JHGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)CCC1CCCCC1 14029324 BSLFDHTVNUWNLJ-UHFFFAOYSA-N 476.824 3.864 50 10 JHGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)c1 14644869 QKOIVFDFLRSCGT-UHFFFAOYSA-N 457.596 3.949 50 10 JHGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 40841072 JULIGQMNHQVGIR-XDJHFCHBSA-N 490.512 3.927 50 10 JHGE C/C=C/C=C\C(=O)NNC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 96653056 ZYBPBHZTJMSPCE-OQIXSKIXSA-N 461.490 3.912 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 101591839 HTIURFNALCZRBS-NLRVBDNBSA-N 464.909 3.787 50 10 JHGE Cn1ncnc1CC(CBr)(CBr)c1ccc(Br)cc1 118671810 PIIBGMYXLJZDIE-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE CCOc1cc(C=NNC(=O)c2cc(Br)cc(Br)c2O)ccc1O 254291616 NEFWENFVZSFEGX-UHFFFAOYSA-N 458.106 3.785 50 10 JHGE O=C(NN=Cc1cccc(O)c1O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 254659516 WFIVXCHVRLOLGD-UHFFFAOYSA-N 473.510 3.724 50 10 JHGE O=S(=O)(c1ccc(Br)cc1Cl)N1CCSC[C@H]1CCBr 689308494 CNWJKQIWWWKEHL-SNVBAGLBSA-N 463.644 3.994 50 10 JHGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 1084032130 DPPNIWGNKVTHMV-UHFFFAOYSA-N 484.753 3.603 50 10 JHGE O=C(Cn1c2ccccc2c2ccccc21)NN=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1084404913 SOTHOHJBWUXMLO-UHFFFAOYSA-N 457.490 3.690 50 10 JHGE C=C(C)[C@@H](NC(=O)NNC(=O)c1cc(OC)ccc1Br)c1ccc(F)c(F)c1 1469853656 MCXHUMKIJKEKBH-QGZVFWFLSA-N 454.271 3.997 50 10 JHGE CCOC(=O)Cc1c(OC(F)(F)F)cc(I)nc1CBr 1848387822 YMGNMEKEAGQZAN-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCOc1cc(I)c(I)c(C(=O)CCl)c1 2060131775 ONRMFFJUISXRIK-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE N#CCc1ccc(I)c(CBr)c1I 2060169858 VEAYKEUKQRYUQE-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1CBr 2179790123 ZUAXJYAKUGCRME-HNNXBMFYSA-N 455.418 3.934 50 10 JHGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)ccn1 2179818097 VIRUDEPPAOEJNC-MJGOQNOKSA-N 453.402 3.981 50 10 JHGE C[C@H](NC(=O)c1cccc(F)c1I)c1nnc(CBr)s1 2192618864 AJAUSHUDZQFJNT-LURJTMIESA-N 470.105 3.668 50 10 JHGE COC(=O)[C@H](Br)COCc1cc(I)ccc1Br 2302777210 TZJMBUHIVUOSOG-SNVBAGLBSA-N 477.918 3.507 50 10 JHGE CC(C)(C)OC(=O)N1CCN(CCOCCI)C2(CCCCC2)C1 2306805585 VJFYREAMPSYEFD-UHFFFAOYSA-N 452.377 3.694 50 10 JHGE CC(C)[C@@H](CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821089 BGZAPHMANLOXAS-GOSISDBHSA-N 473.433 3.572 50 10 JHGE O=S1(=O)CC[C@@H]([C@@H](CCl)Cc2ccc(I)c(Br)c2)C1 2349856466 VUSWVXSBTULWRF-GHMZBOCLSA-N 477.589 3.886 50 10 JHGE Clc1ccc(I)cc1CN1C[C@H]2CCO[C@@]2(CBr)C1 2352430276 SHCYNVQIYZXHTB-RISCZKNCSA-N 456.549 3.930 50 10 JHGE O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccc(OCc2ccccc2)cc1 3169675 YQQGWPJPOFNPOO-VULFUBBASA-N 466.335 3.908 50 10 JHGE COc1ccccc1C(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 8683022 NXPJPYRNLGUSOF-MZJWZYIUSA-N 496.361 3.917 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)c1 14030617 DVGXLVGBLSXZHR-UHFFFAOYSA-N 457.596 3.868 50 10 JHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823668 RJSNULVEIAHAIG-MFKUBSTISA-N 451.504 3.779 50 10 JHGE C#CCOc1c(CC=C)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 58895321 WBNJQWLDBAJALT-FELXSTKCSA-N 450.535 3.798 50 10 JHGE C=CCn1c(SCC(=O)N/N=C(/C)c2ccc(Br)cc2)nnc1-c1cccnc1 58991009 RQPRYARHBFYPPU-UCQKPKSFSA-N 471.384 3.921 50 10 JHGE COc1ccc(CCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(O)c1 59152460 IRQVZNZOWJAQAF-AWQFTUOYSA-N 472.133 3.714 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)c2cc(Br)ccc2O)c1C 59166434 ABPKXXDTZVZTMU-LSHDLFTRSA-N 488.298 3.638 50 10 JHGE CCOC(=O)[C@@H]1[C@@H](C(=O)N/N=C/c2c[nH]c3ccccc23)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 98020686 DWIBABBXSRBGGR-MAPHDFDHSA-N 486.450 3.701 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596160 SJZDPSYFMFZWBK-OVVQPSECSA-N 482.899 3.926 50 10 JHGE Cc1nc(C)c2c(C)c(C(=O)NNC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)sc2n1 105745086 TYNOCGUJNMZSTE-UHFFFAOYSA-N 483.557 3.939 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H](CBr)C1 125939167 DLYWOVUXUIPCHB-MRVPVSSYSA-N 462.001 3.617 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H](CCl)O1 235367115 LPEZXUQFCDBKET-PSASIEDQSA-N 458.521 3.522 50 10 JHGE CN1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238518 UJOBWZDAKIEIJA-SFHVURJKSA-N 459.921 3.854 50 10 JHGE O=C(NNC(=S)NCCc1ccc2c(c1)OCCO2)c1ccccc1OCc1ccc(F)cc1 726745906 ZKUBUAZZCMGNEJ-UHFFFAOYSA-N 481.549 3.528 50 10 JHGE COc1ccccc1Nc1nc2sc(C(=O)NNC(=O)COc3ccccc3O)cc2s1 730835914 MGPHVDIIRWVJEO-UHFFFAOYSA-N 470.532 3.656 50 10 JHGE C[C@H](NC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 761414044 CPYDHIYYHDERSL-PDAHTBPXSA-N 471.561 3.855 50 10 JHGE CC(=NNC(=O)CCCSc1nnc(-c2ccccc2O)n1N)c1ccc2ccccc2c1 1084412776 VZDGHUSIPUWWGD-UHFFFAOYSA-N 460.563 3.930 50 10 JHGE CC(=O)c1cc(C(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)c(C)nc1C 1633661347 NKGGEYCVDPXERY-UHFFFAOYSA-N 455.518 3.974 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751676 WNDPRQIIOGUEOS-UHFFFAOYSA-N 485.500 3.583 50 10 JHGE Cc1ccc(S(=O)(=O)CCCC(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1 1865757266 UVRWWKZSAZABBE-UHFFFAOYSA-N 487.528 3.659 50 10 JHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc(C(=O)OCCOC)c1C 1866127582 RNJNHCTZJGNQHF-RVDMUPIBSA-N 460.483 3.721 50 10 JHGE CO[C@H]1C[C@@](CCl)(NC(=O)c2cc(Br)ccc2I)C1 1899854208 BWAIWZPEJLRZQG-SWZMTVOYSA-N 458.521 3.570 50 10 JHGE FC(F)(CI)C(F)(F)CNC[C@@H]1CC1(Br)Br 1900061655 IDMPMMYJXVQVFY-YFKPBYRVSA-N 482.879 3.788 50 10 JHGE CC(C)c1nc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c(Br)[nH]1 1905345303 ZTKPVKBQBHWKRO-JTQLQIEISA-N 455.150 3.898 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@@H](Br)C(F)(F)F 1955956712 SAJQJCNUBIGDQQ-GFCCVEGCSA-N 478.350 3.664 50 10 JHGE Cc1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)sc1CBr 2123242895 CAUSEUARIMWOFT-CALCHBBNSA-N 455.443 3.989 50 10 JHGE CN(Cc1ccccc1NC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163054895 BGGPNXUSFWMNMQ-UHFFFAOYSA-N 462.410 3.570 50 10 JHGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CBr)cn1 2179809340 SJLLQNYNSAJEHE-UHFFFAOYSA-N 452.418 3.652 50 10 JHGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@@H](CCl)O1 2207272577 PSNZOTAETKUPSU-SNVBAGLBSA-N 472.548 3.912 50 10 JHGE CO[C@]1(CBr)CCCN(C(=O)c2cc(C)ccc2I)C1 2240910125 AHWCYHYJCZQCMK-HNNXBMFYSA-N 452.130 3.616 50 10 JHGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2256604541 DJGZIFNVULKNJS-XMMPIXPASA-N 492.768 3.522 50 10 JHGE COC[C@](C)(CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277934366 HWNGRVIDNUKUPF-ZDUSSCGKSA-N 457.988 3.670 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@H]1N(C)CC1(C)C)C(=O)OC(C)(C)C 2298945148 KAUUKMCFDNZMCL-RDTXWAMCSA-N 454.393 3.794 50 10 JHGE BrCCOC1CN(Cc2ccc(I)c(Br)c2)C1 2306221509 ITMUZXBHVKRHEU-UHFFFAOYSA-N 474.962 3.649 50 10 JHGE CN1CCN(Cc2ccc(I)c(Br)c2)[C@H](CBr)C1 2325223080 NTRKOLVYOSVKEZ-LLVKDONJSA-N 488.005 3.565 50 10 JHGE COC(=O)c1sc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)c(C(=O)OC)c1C 2329663827 YJVFBNWQOOZKGQ-UHFFFAOYSA-N 463.309 3.938 50 10 JHGE CC1CCC([C@H](CBr)NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2351616468 XUKUOIIASBSYHW-RJYAGPCLSA-N 485.444 3.572 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)c1ncc(Br)c(CCl)n1 2364377474 WEBYEOFCSFCIHP-UHFFFAOYSA-N 488.409 3.873 50 10 JHGE Cn1nc(Br)c(Br)c1CNC(=O)c1ccc(CBr)cc1 2364432652 MVKREEYQXBFFAO-UHFFFAOYSA-N 465.971 3.770 50 10 JHGE Cc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc1 12698578 UDOSRVOEDVFHFD-UHFFFAOYSA-N 455.609 3.724 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCC(C)C)c1 14644899 ZJXUSVGQKIJXNC-UHFFFAOYSA-N 463.987 3.788 50 10 JHGE CCCCCN1C(=O)/C(=N/NC(=O)CCNC(=O)c2ccccc2Cl)c2cc(C)ccc21 33959326 DHVCQYNPJSDECZ-XAYXJRQQSA-N 454.958 3.826 50 10 JHGE C/C(=N\NC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc(F)cc1 58991132 XGZJXSBMGYNXOA-ZMOGYAJESA-N 491.390 3.973 50 10 JHGE COc1ccc(COC(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 59147242 USKMSWZHWSJQHM-FSJBWODESA-N 453.455 3.675 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)Cn3cnc4cc(C)c(C)cc43)cc2)cc1 59147844 YBCPWUHSTPLEDZ-MZJWZYIUSA-N 476.558 3.880 50 10 JHGE CCn1c2ccccc2c2cc(C=NNC(=O)Cn3c(-c4nonc4N)nc4ccccc43)ccc21 252604830 GDZIQTOKWVQSDN-UHFFFAOYSA-N 478.516 3.947 50 10 JHGE CC(=O)Nc1cccc(C(C)=NNC(=O)c2ccc(Cn3nc([N+](=O)[O-])c(Cl)c3C)o2)c1 252624019 PEPFOKAAFZXQHG-UHFFFAOYSA-N 458.862 3.507 50 10 JHGE CCOC[C@@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 380821231 PUYODIWBVURHJB-VIFPVBQESA-N 494.043 3.598 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)NCc1ccccc1 761396566 GAHOCERRAJUURG-QTCOBDOFSA-N 453.502 3.619 50 10 JHGE O=C(NNC(=O)c1ccc(Br)cc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 1318345637 HLPAWRZSJILMNL-UHFFFAOYSA-N 483.313 3.664 50 10 JHGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 1464672288 BDMNXVHSELRVAV-SEYXRHQNSA-N 455.458 3.573 50 10 JHGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCOCC5)c(C)c43)coc2c1 1772752079 UCQHUKGYRHPGMR-UHFFFAOYSA-N 463.534 3.823 50 10 JHGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)CCCN1C(=O)c2ccccc2C1=O 1865755745 OAJWOIRAOROYJN-UHFFFAOYSA-N 476.920 3.548 50 10 JHGE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(C(=O)OC(C)(C)C)cc1B(O)O 1887522468 IXZKZHQQKLTASR-UHFFFAOYSA-N 473.334 3.991 50 10 JHGE O=C(NCC[C@@H]1COC[C@H]1Br)c1cc(Br)cc(Br)c1 2111278941 DZEQZOYJXPGQJK-PRHODGIISA-N 455.972 3.741 50 10 JHGE O=C(c1cc(I)sn1)N1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2120025380 JBYWYABSTOIPNY-FXPVBKGRSA-N 455.159 3.916 50 10 JHGE O=C(NCC12CC(CBr)(CO1)C2)c1cccc(Br)c1Br 2159582784 NIKWBMFNDCCHSS-UHFFFAOYSA-N 467.983 3.886 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(S(=O)(=O)c3ccc(CBr)cc3)[C@H]2C1 2163050012 FZYBSRRPWFIBDZ-RDJZCZTQSA-N 459.406 3.602 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@H](Br)CCC12CCC2 2174541011 UNPKSUFXCILNBJ-SNVBAGLBSA-N 450.114 3.919 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179869401 XLIDELSPEFGNKK-ZWKOTPCHSA-N 453.402 3.707 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 2313892329 YLMIYBMPUUFWPO-UHFFFAOYSA-N 455.580 3.631 50 10 JHGE CC(=O)N(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(N)cc1 2324598950 NITLEAFRVNIFSB-UHFFFAOYSA-N 479.584 3.963 50 10 JHGE C[C@@H]1CC[C@](CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338850341 RDBNKMQEXFNGCS-IERDGZPVSA-N 485.444 3.716 50 10 JHGE Cn1ncc(I)c1-n1c(CCCl)nc2ccc(Br)cc21 2381868970 RCXIXXBWVDPYTB-UHFFFAOYSA-N 465.520 3.907 50 10 JHGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c21 2435059 YYFBQDZHPJHHIL-HXUWFJFHSA-N 479.334 3.589 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)cc2)c(Br)c1 14039094 CZCFVERYKLYTIF-UHFFFAOYSA-N 494.411 3.513 50 10 JHGE CC(C)Oc1c(Br)cc(Br)cc1/C=C(/C#N)c1nn(CCO)c(N)c1C#N 33764015 KRHXVAUNSXGCEQ-XGICHPGQSA-N 495.175 3.706 50 10 JHGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccnc2)CCC3)cc1 40814154 SHJRCWSNEZKHEX-TURZUDJPSA-N 460.490 3.882 50 10 JHGE N#Cc1cc(I)c(OC[C@H](Br)C(F)(F)F)c([N+](=O)[O-])c1 69394279 XDTSJJIFDSYOMQ-QMMMGPOBSA-N 464.963 3.776 50 10 JHGE CCOC(=O)c1ccc(N/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 209902300 REDVGBIEBDTLFI-KQWNVCNZSA-N 459.502 3.619 50 10 JHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1ccc(I)c(Cl)c1 384690228 IFZYTYWCYYHGSE-LLVKDONJSA-N 471.564 3.534 50 10 JHGE COC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 725447616 IBWKMPHXRQVOTK-QGZVFWFLSA-N 483.746 3.618 50 10 JHGE CCC/C(C)=C/C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 920287128 DVLQHAYMYNVFGF-WYMLVPIESA-N 465.959 3.657 50 10 JHGE C=CCc1cccc(C=NNC(=O)[C@H](C)Nc2ccc(I)c(C)c2)c1O 1083965117 GQBFZWXIOPFPSH-AWEZNQCLSA-N 463.319 3.984 50 10 JHGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 1084213424 OXKQIEFWSVBDKG-UHFFFAOYSA-N 493.995 3.555 50 10 JHGE COc1c(C(=O)NN=C2C(=O)N(CCN3CCCCC3)c3ccccc32)ccc2ccccc12 1084555314 JLXNIIQSRMZBFN-UHFFFAOYSA-N 456.546 3.815 50 10 JHGE CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)C3CCN(C(=O)c4ccco4)CC3)cc2C1 1087423456 URKBWSNYWYMWMG-QGZVFWFLSA-N 457.596 3.806 50 10 JHGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 1562263934 ZSRQGVVVLYRLFL-MRXNPFEDSA-N 456.930 3.774 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)c1 1644838170 MHKSSNNVUKIFFC-UHFFFAOYSA-N 453.930 3.766 50 10 JHGE C#CC[C@@H](NC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1 1670715567 BAODFPTVJRJFLT-CLJLJLNGSA-N 452.558 3.709 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745601 CERWHNGNSOQBHV-UHFFFAOYSA-N 468.897 3.688 50 10 JHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745952 MBQIOXKZVWVXEU-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE COc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1 1865759535 FRYSTAKZQGMKQZ-UHFFFAOYSA-N 455.461 3.964 50 10 JHGE CC[C@@H](Br)CNC(=O)c1ccc(Br)cc1I 1995286168 PRZBNZNKMJFXBP-SSDOTTSWSA-N 460.935 3.957 50 10 JHGE O=C(c1scc(Br)c1Br)N1CCO[C@@H](CCBr)C1 2052692488 YGTUMGMLCKRFKK-ZETCQYMHSA-N 462.001 3.899 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](CBr)[C@@H](F)C1 2056996729 BAMQBLMKQNUPCG-WPRPVWTQSA-N 490.936 3.859 50 10 JHGE O=S(=O)(C[C@H](Cl)c1ccc(I)c(Br)c1)N1CCCC1 2089397951 LWAQCPVIVWNDFV-NSHDSACASA-N 478.577 3.759 50 10 JHGE C[C@H](CBr)[C@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089707341 MULOOSXFGHTXAL-VQIMIIECSA-N 485.444 3.668 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2cccc(Br)c2Br)C1 2092341049 XNVDUINORYHOIL-IUCAKERBSA-N 455.972 3.836 50 10 JHGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123242039 QZIBKUAKERARQN-IAGOWNOFSA-N 455.443 3.704 50 10 JHGE C[P@@]1(=O)C[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)[C@@H](Br)C1 2177849253 PJJVLVNXPNRIAG-UFHPCEOVSA-N 465.531 3.519 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H]2[C@H](CCC[C@H]2Cl)C1 2233836946 NVQBGXCYWDWREX-FUHIMQAGSA-N 453.004 3.512 50 10 JHGE COC[C@H](Br)CCNC(=O)Cc1cc(Br)cc(Br)c1 2277931663 HXIBOZJLPIMXGC-SNVBAGLBSA-N 457.988 3.670 50 10 JHGE CCCCCn1c(=O)c(C(=O)NN=Cc2cc(OC)c(OC)cc2OC)c(O)c2ccccc21 2328629256 WUEADWGFDOVIRS-UHFFFAOYSA-N 467.522 3.687 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCC[C@@H](CBr)C1 2364196129 XAVXHRPXYGVIJS-QZTJIDSGSA-N 499.471 3.964 50 10 JHGE CC1(C)OCCN(C(=O)c2ccc(Cl)cc2I)[C@@H]1CBr 2365591798 JBMKWLLLOMMROZ-GFCCVEGCSA-N 472.548 3.959 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](NCC2CC(Br)C2)(C(=O)O)C(F)(F)CC1 2376557180 ZHQXVDFNHSLQPF-FVKWTLKZSA-N 455.340 3.629 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2cncc(Br)c2)ccc1OC(=O)c1ccco1 3115156 KSXHLQVGORAJRF-AUEPDCJTSA-N 458.268 3.819 50 10 JHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccccc2)c(C(C)C)cc1Br 13976487 AEANHAZOAVIEOC-UHFFFAOYSA-N 464.385 3.595 50 10 JHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 14030642 LINKFBOAQFNIRC-UHFFFAOYSA-N 490.585 3.923 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCC)cc2)c(OC)c1 33706496 JGSUCJWTUUBXQN-GYYIQJFNSA-N 457.486 3.816 50 10 JHGE COc1ccc(OC)c(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)c(C)c2)c1 100969918 BKIRKWFYDVZTFY-ZVHZXABRSA-N 478.343 3.674 50 10 JHGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 102684622 AIMNZSSSZZTFBP-PEZBUJJGSA-N 497.349 3.699 50 10 JHGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2)cc1OCC 207127702 ILEJLHCSBMIMOA-ASBGPMMZSA-N 464.518 3.772 50 10 JHGE CC(C)(CBr)Cn1cnc(I)c1I 306307048 NQAMRRXXRIRLFU-UHFFFAOYSA-N 468.902 3.513 50 10 JHGE O=C(NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1cccc2cccnc12 727477078 BMRAFIHBFMZURA-HXUWFJFHSA-N 463.925 3.691 50 10 JHGE N[C@H](CCSSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O 958741799 HFVYNJJFTYVQDX-WOJBJXKFSA-N 490.603 3.552 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 1083999762 FFOSEJKKLCMXHU-UHFFFAOYSA-N 462.594 3.716 50 10 JHGE CCCCC(C)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 1084034112 RWZHUJBTTLSVLA-UHFFFAOYSA-N 472.611 3.561 50 10 JHGE CC(=O)N(c1ccc(NC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1)[C@@H]1C[C@H]1C 1677827546 MZDNZRPXWBFWNA-KZULUSFZSA-N 452.483 3.593 50 10 JHGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865710915 LIRGWPDGFVHWJM-QFIPXVFZSA-N 450.470 3.623 50 10 JHGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712278 UUPXHUWDFTYKFK-FQEVSTJZSA-N 465.853 3.732 50 10 JHGE C[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1914348357 MUMRTOBFTQUMMW-KRWDZBQOSA-N 462.999 3.768 50 10 JHGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)C1CC(OCc2ccccc2)C1 1958927975 HOHWEPZOFGMTGF-HWELCPFYSA-N 482.440 3.976 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CC[C@@](C)(CI)O1)CO2 2005247389 WONKQUXKRMFENF-WMZOPIPTSA-N 451.345 3.919 50 10 JHGE CCN1CC[C@@H]([C@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2089535827 OKQXUCXTPIKWEA-NWDGAFQWSA-N 478.577 3.758 50 10 JHGE CO[C@H]1C[C@@H](Cl)CN(C(=O)c2ccc(Br)cc2I)C1 2142285383 OULCNNYSEKEKBU-ZJUUUORDSA-N 458.521 3.522 50 10 JHGE CN(C[C@H](Cl)C1CCCCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2167651432 DPJKVQZRIVKBDV-FQEVSTJZSA-N 455.020 3.902 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1CBr 2179790124 ZUAXJYAKUGCRME-OAHLLOKOSA-N 455.418 3.934 50 10 JHGE O=C(N[C@H](CBr)[C@H]1CC=CCC1)c1cc(I)ccc1O 2196158068 VNBVSPDSFJCTMA-GXFFZTMASA-N 450.114 3.846 50 10 JHGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CC(SC(F)F)C1 2196690519 IRSVATCRDOFGAD-UHFFFAOYSA-N 451.152 3.673 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)Cc1ccc(Br)cc1 2226096473 GGNFQAOGGLZYCJ-UHFFFAOYSA-N 485.491 3.775 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CCCC[C@]2(CCl)C1 2238804438 CFVRBQYFYSACFV-VGSWGCGISA-N 453.004 3.514 50 10 JHGE CCN1C(=O)COc2ccc(C(C)=NNC(=O)c3ccc(-c4ccc(OC)c(OC)c4)nc3C)cc21 2321281074 SAYBJWPIVUAVGC-UHFFFAOYSA-N 488.544 3.974 50 10 JHGE C[C@H](Br)COCc1cn(Cc2cc(I)ccc2Cl)nn1 2380445768 BQPJJWFXSOAGFM-VIFPVBQESA-N 470.536 3.884 50 10 JHGE CC(=O)N1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2cccc(Cl)c2)C3)c2ccccc21 2348555 QGOWFMNANXUBOE-ODCWNRFASA-N 459.889 3.596 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(C)=O)cc2)c(Br)c1 14832221 VYMPWGDCESBTRG-ZDUSSCGKSA-N 462.344 3.761 50 10 JHGE O=C(CCn1c(=O)oc2ccccc21)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 17171638 IMEZUQBMJWXTQT-UHFFFAOYSA-N 452.470 3.661 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C\c3ccc(F)cc3)cc2)c1 33744625 HFCBUXMDTOYQBP-AUWJEWJLSA-N 476.533 3.735 50 10 JHGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4Cl)c(C)c32)c1 101613059 MSFUFTIKYQSVCC-ZXVVBBHZSA-N 494.935 3.795 50 10 JHGE CCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cc(-c4ccco4)nc4ccccc34)ccc21 107923584 CSYMIWZSSGPDAF-UHFFFAOYSA-N 454.486 3.869 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c(C)n1C[C@@H]1CCCO1 731338255 SGYRDXYQQNKRKK-JGFKBXGXSA-N 497.617 3.782 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccn(CCc3ccncc3)n2)c(-c2ccccc2)n1 749628875 BIMUHAQMHWFARK-XLNRJJMWSA-N 462.517 3.844 50 10 JHGE C=CC[C@@H](C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1 1135582171 TUSVSYURWPYWOO-OAQYLSRUSA-N 452.514 3.566 50 10 JHGE CC(=O)N(c1ccc(NC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1)[C@@H]1C[C@H]1C 1662053818 FCZRCPYDCRTTIN-OPAMFIHVSA-N 452.555 3.977 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(Br)c(F)cc2F)cc1 1668869893 HWDIUQXYFRVAKG-SNVBAGLBSA-N 456.243 3.550 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865708929 JJTVLAKKCMVGCA-LJQANCHMSA-N 465.307 3.948 50 10 JHGE C[C@@H](NC(=O)c1ccc(I)cc1)c1nnc(CBr)s1 1877559491 ZSRQZCMIBOFXAP-SSDOTTSWSA-N 452.115 3.529 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCC(I)CC1 2021440769 MCWXQHDRVDVKCR-UHFFFAOYSA-N 475.495 3.984 50 10 JHGE CN(C)CCN(CCBr)C(=O)c1scc(Br)c1Br 2038017116 QVMNONYSHRXTSQ-UHFFFAOYSA-N 463.033 3.672 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)c2csc(Br)c2Br)CCO1 2053845001 KUGRYISUWOJRRF-POYBYMJQSA-N 462.001 3.898 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C12CCC2 2162589155 NMKYXCKZAOHMES-HZPDHXFCSA-N 459.406 3.696 50 10 JHGE C[C@@H](N(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)Oc1ncc(Br)cc1B(O)O 2217183801 OFFTUPYTLAYQQE-OAHLLOKOSA-N 493.207 3.507 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2COC[C@@]2(CBr)C1 2234579699 KPISOPBSCBKLBI-QMTHXVAHSA-N 467.983 3.695 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CCC2(CCOCC2)N(CCCCI)C1 2248246870 CMYHIPMJGKZKIU-OAHLLOKOSA-N 452.377 3.740 50 10 JHGE COCCN(C[C@H](C)Cl)C(=O)c1ccc(I)c(Br)c1 2272468733 ZRSWGFWROFUPAT-VIFPVBQESA-N 460.537 3.770 50 10 JHGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 2295482991 NNTRDWYRQPWPIF-UHFFFAOYSA-N 457.490 3.582 50 10 JHGE CN1CCN(Cc2ccc(I)c(Br)c2)[C@@H](CBr)C1 2325223085 NTRKOLVYOSVKEZ-NSHDSACASA-N 488.005 3.565 50 10 JHGE C[C@]1(CNS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCC[C@H]1Br 2338832888 GSLNCWAVQTVLNA-WIYYLYMNSA-N 485.444 3.716 50 10 JHGE CC1(C)C[C@@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338853409 XGUXBXXVYLIOBA-INIZCTEOSA-N 485.444 3.668 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2344139498 IIDWRBKOCYCBDH-VGWMRTNUSA-N 456.324 3.854 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2355845378 NYBDPLBFAVMAIY-IVAOSVALSA-N 455.462 3.866 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CCC[C@@]2(CBr)C1 2364021815 JTSNVDFBAQZZJJ-AMIZOPFISA-N 470.003 3.582 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@](C)(CBr)CC1(C)C 2364229071 VFKGUCATBHYFOG-CYBMUJFWSA-N 472.019 3.971 50 10 JHGE Cc1ccc(I)c(C(=O)N(CCBr)C2CCOCC2)c1 2381884777 ZVRGHQIETBBHAB-UHFFFAOYSA-N 452.130 3.616 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCC(C)C)c1 10283030 LSAOIZIXZVFAKP-QGZVFWFLSA-N 457.596 3.949 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)c(C)c1 13979596 GOZMLIIPLJMFCG-UHFFFAOYSA-N 482.762 3.664 50 10 JHGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2[N+](=O)[O-])cc1 40645770 ODGLPWHBCWTUTO-UHFFFAOYSA-N 456.846 3.715 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC2(CBr)CC2)cc1Br 143290887 GHOOMXGAFFIBRV-UHFFFAOYSA-N 462.001 3.726 50 10 JHGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@@H](CCl)O1 232792510 ZLMUPTFYRXVJOB-SNVBAGLBSA-N 472.548 3.912 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N=CN3CCOCC3)OC3=C2C(=O)CC(C)(C)C3)cc1OC 254714060 JRUSUBKMUKESOS-QFIPXVFZSA-N 451.523 3.556 50 10 JHGE COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 730872033 BPDCFZPTUYHYHC-RBUKOAKNSA-N 452.894 3.610 50 10 JHGE COc1c(Br)cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 915931372 CBYTUKLQTWNCSF-UHFFFAOYSA-N 457.078 3.892 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)O[C@@H](C)c2ccc(F)cc2F)cc1 918948825 CVASXILHTFSVTM-ZCQLHAAUSA-N 480.471 3.924 50 10 JHGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 1083915038 FBQKTESUHQFYSN-UHFFFAOYSA-N 460.534 3.976 50 10 JHGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)c1ccccc1S(=O)(=O)CC(C)C 1865758156 LWTDFRBASYYWSJ-UHFFFAOYSA-N 469.538 3.701 50 10 JHGE CCc1ccc(-c2ccc(C(=O)NNC(=O)CCCS(=O)(=O)c3ccccc3)c(C)n2)cc1 1865758758 PTDJRRQRAOUADO-UHFFFAOYSA-N 465.575 3.635 50 10 JHGE CSCC[C@@H](NC(=O)CCc1ncc2ccccn12)C(=O)Nc1ccc(SC#N)cc1 1866898348 XWUUBUQJRRWJPL-LJQANCHMSA-N 453.593 3.717 50 10 JHGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/NC(=O)CSc1nc2ccccc2s1 1873496369 NHGFFZVNGHDGLZ-AUEPDCJTSA-N 484.559 3.824 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1873794917 JDDKBYQMGVEPCB-WNFNFYEPSA-N 455.486 3.895 50 10 JHGE BrCC1=CCN(c2ncc(I)cc2Br)CC1 1988532336 FKJBFOLHBJBUSW-UHFFFAOYSA-N 457.935 3.980 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCCCN1CCCCCC1 2007039977 LXTMNXFSLKTMES-SFHVURJKSA-N 454.393 3.988 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@](C)(CBr)CC1(C)C 2134837864 PZHDAIWXFMETBR-NRFANRHFSA-N 485.444 3.524 50 10 JHGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1c[nH]c(CBr)c1 2179866497 IXNKYFWRVZSGGQ-BWTSREIZSA-N 452.418 3.726 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@H]2CBr)cc1Br 2225383686 CFVUMATVZHVZFL-KWQFWETISA-N 476.028 3.972 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2CCO[C@]2(CBr)C1 2239891824 FISWBHJCGPVSMM-LKFCYVNXSA-N 467.983 3.838 50 10 JHGE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2267503814 JVNPSASXEQAPGW-UHFFFAOYSA-N 486.465 3.523 50 10 JHGE CCCOc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NCCOC)cc1OC 2314774595 UBJUYUULUAHCTH-UHFFFAOYSA-N 464.518 3.772 50 10 JHGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccc([N+](=O)[O-])cc1 9779732 JQLGMGGQJBQABH-UHFFFAOYSA-N 463.071 3.504 50 10 JHGE O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039714 KJDLAVQKAJQHDN-UHFFFAOYSA-N 483.977 3.676 50 10 JHGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1 20922898 CIZRFRZUEGERGH-UHFFFAOYSA-N 475.549 3.745 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCCCCC2)c1[N+](=O)[O-] 40610105 KOHQYHXPIRMZTD-UHFFFAOYSA-N 455.302 3.594 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1N 40785183 HQWUQUQDXVDAKZ-UHFFFAOYSA-N 453.812 3.635 50 10 JHGE N#C/C(=C/c1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 58214859 NKJNIFWOVYXNFQ-GHXNOFRVSA-N 450.252 3.819 50 10 JHGE O=C(NCCCOCCBr)c1cc(I)ccc1Br 230776498 KIHLMMROLQROCW-UHFFFAOYSA-N 490.961 3.585 50 10 JHGE O=C1[C@H](Br)CCCN1c1ccc(I)cc1Br 300906583 OFMIHGOMCIQXHE-MRVPVSSYSA-N 458.919 3.944 50 10 JHGE O=S(=O)(c1sccc1Br)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 709785786 BEBUUNJXZHILDS-RNFRBKRXSA-N 457.131 3.705 50 10 JHGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cccc(Cl)c3)cc2)cc1 725394106 MTRWOHBIWAHZNY-UHFFFAOYSA-N 464.909 3.755 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCC(=O)Nc2cccc3cccnc23)c(-c2ccccc2)n1 725718733 FDYNKWKSANDHLO-RCCKNPSSSA-N 475.512 3.674 50 10 JHGE COC(=O)CCn1nc(C)c(C=NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1C 727059700 VCJMMNBRQFIRBF-UHFFFAOYSA-N 452.486 3.545 50 10 JHGE COc1cccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c1 1083962634 RELGXXODKCDYDN-UHFFFAOYSA-N 469.339 3.954 50 10 JHGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)c1ccc(Br)cc1 1084349780 IEFXZABBHPQGCN-UHFFFAOYSA-N 468.355 3.544 50 10 JHGE C/C(=C/C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1C(F)(F)F 1140534717 XQCUWILLXVBLEM-ZSMUJPCHSA-N 455.477 3.903 50 10 JHGE C#Cc1cccc(N(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)Cc2cccs2)c1 1307560877 GHKZCEYCBMBDKJ-UHFFFAOYSA-N 453.951 3.859 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)cc1 1562695022 YFYGUGXHGHITRU-OAHLLOKOSA-N 455.902 3.657 50 10 JHGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(F)c(F)c4)nc3C)cc2C1=O 1865757368 ZRLRLNILVCSXTA-ZDUSSCGKSA-N 492.482 3.805 50 10 JHGE Cc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1865852502 ZFEBFPCGLWYJMX-UHFFFAOYSA-N 490.585 3.748 50 10 JHGE C[C@@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(SC#N)cc1 1867074940 LAIBKEIRRYGRBC-OAHLLOKOSA-N 466.592 3.681 50 10 JHGE CN(CCOCc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 1984648111 ALKURRCYXYOINV-UHFFFAOYSA-N 467.179 3.774 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1991464034 SFBCEMDYNZYAKI-SELNLUPBSA-N 480.447 3.788 50 10 JHGE O=C(CBr)c1cc(OC(F)(F)F)c(I)c([N+](=O)[O-])c1 2055242541 UBEFLKQULFYCIS-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE CN1CCC[C@@H](n2nc(CBr)c(I)c2C(F)(F)F)C1 2079260890 QRJLBNYUTADAAR-SSDOTTSWSA-N 452.056 3.668 50 10 JHGE O=C(Cc1ccccc1I)N1CCSC[C@@H]1CCBr 2087581345 ATWXBVVZBPRWQM-LBPRGKRZSA-N 454.171 3.563 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCN2C[C@H](Br)C[C@@H]2C1 2148751884 RSPYRMJQGBGOIJ-NXEZZACHSA-N 466.999 3.505 50 10 JHGE CC(C)[C@@H]1CN(S(=O)(=O)c2cc(CBr)ccn2)CCN1Cc1ccccc1 2179818123 VPAFYVSFFWZPIE-IBGZPJMESA-N 452.418 3.508 50 10 JHGE O=S(=O)(C1CCC(CBr)CC1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179825277 FSQGBZOKZJAJDP-FPGXKEGCSA-N 455.462 3.724 50 10 JHGE C[C@]1(F)CN(S(=O)(=O)c2cc(CCl)oc2Br)C[C@]1(C)Br 2205656463 ULETWXXDNATWLP-QWRGUYRKSA-N 453.555 3.667 50 10 JHGE CCCCN(CCOCCI)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2306804351 HSPBVMPPCDAKIX-INIZCTEOSA-N 454.393 3.940 50 10 JHGE N#CC(=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314489169 QGINANPNCTYZMB-UHFFFAOYSA-N 461.503 3.970 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC=C[C@]1(C)CBr 2338671561 XBWCMLHJBYLZBK-GFCCVEGCSA-N 455.976 3.501 50 10 JHGE C=CC[C@@](C)(CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338834307 WETAXAOSJGLIOD-NRFANRHFSA-N 485.444 3.740 50 10 JHGE C[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CC[C@H]1CCBr 2364025572 ZLDXMPQQPAJUOY-DTWKUNHWSA-N 472.019 3.828 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCCC[C@@H](Cl)C1 2364215087 RDUPSIDIMQMYQO-QZTJIDSGSA-N 455.020 3.950 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](OCCCBr)C1 2365585962 GYMVHSKLICWACJ-LLVKDONJSA-N 472.548 3.961 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)[C@@H]1C(F)(F)F 2377536733 YTHOFZFOUMOGII-QHSOUUPTSA-N 459.303 3.535 50 10 JHGE CN1CCC(CBr)(NC(=O)c2cccc(Br)c2Br)CC1 2380703175 XZQYTGYQTHCYPU-UHFFFAOYSA-N 469.015 3.801 50 10 JHGE O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510935 SNFASRYVVWRINO-UHFFFAOYSA-N 467.978 3.840 50 10 JHGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)c1 10671733 CMFIHWFUWWTKQL-CQSZACIVSA-N 494.411 3.649 50 10 JHGE CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)N/N=C/c1ccco1 12384111 GJDPPUXMDDWGFX-XDEFOSFOSA-N 490.520 3.700 50 10 JHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)CCC(=O)OCCCc1ccccc1 13998684 HIUJWKLMVASTQT-UHFFFAOYSA-N 494.375 3.816 50 10 JHGE C=CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccc(C)cc3)c3ccccc31)C(C#N)=C(N)O2 39919108 WKXKZELBVYLXPH-NDEPHWFRSA-N 464.525 3.570 50 10 JHGE Cc1ccc2nc(Nc3ncnc(NNC(=O)Cc4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])sc2c1 40650522 XVMNITAZIODPGF-UHFFFAOYSA-N 480.466 3.641 50 10 JHGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OC 58891571 GLEPTDQFZKEWNE-RIWZNOJBSA-N 482.318 3.662 50 10 JHGE COC(=O)c1cc(Br)cc(Br)c1NS(=O)(=O)CCCCCl 228332421 DFDMCPKSWDPIJO-UHFFFAOYSA-N 463.575 3.759 50 10 JHGE O=C(O)COc1ccc(C=NNC(=O)/C(=C/C=C\c2ccccc2)NC(=O)c2ccccc2)cc1 254625759 XSKMWTAYFDOMOC-ZBHDUWESSA-N 469.497 3.627 50 10 JHGE CC[C@@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721579094 PULRNGYYHXKCAZ-MRVPVSSYSA-N 460.935 3.957 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)NNC(=O)c2cccc3cccnc23)CC1 728952352 NHFGKRJWZUPPCF-HXUWFJFHSA-N 467.570 3.701 50 10 JHGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Br)cc1)O[C@@H](C)C2 1318309126 ZAYQOSSYNJABOP-ULFGMLNVSA-N 459.340 3.736 50 10 JHGE CCOC(=O)c1ncc(OC(F)(F)F)c(CBr)c1I 1848387551 DILRDVGLCNZELF-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE O=C(Cc1ccccc1I)NCCCCCI 1940438891 QUIYLXVGFZUPES-UHFFFAOYSA-N 457.093 3.555 50 10 JHGE Brc1cc(I)cnc1N1C[C@H](Br)C2(CC2)C1 1988536113 IKWYLVFIAHMPSO-VIFPVBQESA-N 457.935 3.812 50 10 JHGE BrC[C@@H]1[C@H]2CN(c3ncc(I)cc3Br)C[C@H]21 1988536635 PZCUINGGKXVXQT-PSVAKVPMSA-N 457.935 3.526 50 10 JHGE C[C@H](Br)[C@H]1C[C@H]1NC(=O)c1ccc(I)c(Br)c1 2011200643 NUGLKJJPYOTKGO-FMTFEUNWSA-N 472.946 3.955 50 10 JHGE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NS(=O)(=O)c3ccc(CBr)cc3)[C@@H]21 2162602432 OPOSLHVCAUPXSV-IXDOHACOSA-N 459.406 3.648 50 10 JHGE CC(C)(C)OC(=O)NCC[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163055934 MRGGAOQFELOWAK-MRXNPFEDSA-N 461.422 3.897 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)cc(Br)c1 2178908350 WLXSBNGTSHECQA-CHWSQXEVSA-N 469.015 3.751 50 10 JHGE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2201351601 LHTHYYGKUSHWOJ-DNVCBOLYSA-N 459.406 3.507 50 10 JHGE O=C(NC[C@@]1(CCl)CCCOC1)c1ccc(Br)cc1I 2207275098 INNCQCOUNQNVIM-AWEZNQCLSA-N 472.548 3.819 50 10 JHGE C[C@@H](Cl)CN(CCC(C)(C)C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2288020709 IHMSFIFOUBURQU-VFNWGFHPSA-N 460.999 3.706 50 10 JHGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1ccccc1 2296882306 NZQGGFSUMFOYMC-UHFFFAOYSA-N 459.618 3.971 50 10 JHGE CC(C=Cc1ccccc1)=NNC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N 2313588989 IQHXZIXDTAHMMR-UHFFFAOYSA-N 465.539 3.645 50 10 JHGE CC(=O)OCCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(C)=C(C#N)C1=O 2314621012 YSRHNQLYWXJGRX-UHFFFAOYSA-N 469.291 3.864 50 10 JHGE CC[C@H](Br)CN(C(=O)c1c(Br)c(Br)nn1C)C1CC1 2338684724 RBGNIWKJRUIATG-ZETCQYMHSA-N 457.992 3.723 50 10 JHGE Cc1c(CCl)ccc(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)c1C 2367944776 FVYXIOVRVIRQKF-OAQYLSRUSA-N 452.935 3.808 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C)cc2O)cc1OC 2869673 PGABLEZWNBPXOY-XIWWWBPQSA-N 459.502 3.639 50 10 JHGE O=C(CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N/N=C/c1cccc([N+](=O)[O-])c1 19646095 JNFPBJMMHQEACT-LSHDLFTRSA-N 465.516 3.802 50 10 JHGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59167387 ICQJTFYMSYJKTB-GPRUVOTFSA-N 456.458 3.554 50 10 JHGE CC(C)[C@H](C(=O)NNC(=O)c1ccc(Br)s1)n1cnc2cc(F)c(F)cc21 109496148 MVHZMYPKJZJZCY-OAHLLOKOSA-N 457.300 3.797 50 10 JHGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OC)c(OC)c2)c(OC)c1 206500543 JNXSATLLVVOWMF-WQXXOLMXSA-N 450.491 3.764 50 10 JHGE Cc1cc(S(=O)(=O)N2CCC(F)(F)[C@@H](CBr)C2)sc1Br 403929621 VRYSBDOXFOVNOM-QMMMGPOBSA-N 453.168 3.860 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NC2CCN(CC(F)(F)F)CC2)c(-c2ccccc2)n1 742448619 HLIJXSUCSQBGRS-QGOAFFKASA-N 456.472 3.514 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)cc1 1083956016 YIZQYFLYYPWPOI-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)COc1ccc(Cl)cc1 1672708791 SIRXSXOKMLDPLP-UHFFFAOYSA-N 454.708 3.899 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772746384 AZXHBMHVXFWEKN-UHFFFAOYSA-N 477.477 3.732 50 10 JHGE Cc1c(C(=O)N2CCCCCC2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746977 JTXCZHJESJRMFB-UHFFFAOYSA-N 452.511 3.912 50 10 JHGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1 1868253457 ICLQHCSHRDINFE-HSZRJFAPSA-N 478.553 3.799 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@@H]2[C@H]1CBr 1905823777 RAFUVYLHPIHCBE-OVYXKVPISA-N 474.012 3.616 50 10 JHGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1915268086 KFEAUZOIYGOILC-NRFANRHFSA-N 462.999 3.768 50 10 JHGE O=C(N[C@@H](CCBr)C(F)(F)F)c1ccc(F)cc1I 1918554996 WFXVCLHPBGAMBV-VIFPVBQESA-N 453.999 3.876 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@]2(CCC[C@@H]2Br)C1 1918937614 JMLPWTIQABRNAV-DZGCQCFKSA-N 450.114 3.777 50 10 JHGE C=C[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 1993699536 RCYMOOYUCGKZAE-QMMMGPOBSA-N 458.919 3.733 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](Br)C(F)(F)C1 2034595270 KFWUGLFWSPCPSD-VIFPVBQESA-N 450.448 3.799 50 10 JHGE O=C(Cl)c1cc(I)cc(OC(F)F)c1I 2060174583 LHGRUDLZGCBFDZ-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE CC1(C)CN(c2ncc(I)cc2Br)C[C@H](CBr)O1 2069526407 VNVQNFWWLUNFEL-VIFPVBQESA-N 489.977 3.827 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCBr 2115851172 LUBLAMRVLKQDHX-SJORKVTESA-N 485.444 3.526 50 10 JHGE Clc1cc(CN2CCN(CCCBr)CC2)ccc1I 2142951319 ZBSNZFXKQZFRTP-UHFFFAOYSA-N 457.581 3.847 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178081405 DTGQQOQTCKTTAK-WLTAIBSBSA-N 467.983 3.694 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2179834917 NYBDPLBFAVMAIY-BQJUDKOJSA-N 455.462 3.866 50 10 JHGE O=C(N[C@H]1CC[C@H]1CBr)c1ccc(I)c(Br)c1 2213319688 WLQJWYJYVKBRLE-KWQFWETISA-N 472.946 3.957 50 10 JHGE BrC[C@@H]1CC[C@@H]2CN(c3ncc(Br)cc3Br)C[C@H]2O1 2273542423 WKYOYFUWPJVCIM-UBHAPETDSA-N 454.988 3.985 50 10 JHGE COCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 2296543638 TWBKMQMFCGNFOA-UHFFFAOYSA-N 460.534 3.844 50 10 JHGE BrCCN(Cc1ccc(I)c(Br)c1)C1COC1 2306225717 WTIJLWWDQCOFIN-UHFFFAOYSA-N 474.962 3.649 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1 2313616897 OTCQUPRMELKYCD-UHFFFAOYSA-N 460.559 3.927 50 10 JHGE CCCCCOc1ccc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 2314620142 KKKUGHIZQIGOGD-UHFFFAOYSA-N 454.523 3.810 50 10 JHGE Cl[C@@H]1C[C@H]2CN(Cc3ccc(I)c(Br)c3)CCN2C1 2349829143 NCMQWEBTDDVDGP-NEPJUHHUSA-N 455.565 3.551 50 10 JHGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)CC1 2352108595 XMZLYZKUFVQSFC-HFJWLAOPSA-N 454.475 3.999 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1 10505989 KHXCACGBLQHXDH-UHFFFAOYSA-N 491.194 3.779 50 10 JHGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)c1 10671981 MCGSGWBTIJJFMK-AWEZNQCLSA-N 494.411 3.649 50 10 JHGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 12503531 KFURNWMJPDDGSF-NTCAYCPXSA-N 458.543 3.537 50 10 JHGE COc1cc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc(OC)c1OC 14666963 PLZOTISPJZZBEJ-UHFFFAOYSA-N 481.343 3.585 50 10 JHGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3[nH]2)C1 35304628 VACBKVNOWBZPAU-OWBBTNHHSA-N 482.544 3.723 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c(OC)c1 38688448 ISKQNQRYMJKTHK-RPBOFIJWSA-N 486.480 3.667 50 10 JHGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc([N+](=O)[O-])c1O 40844679 WFDUWTAPDZGBKT-LSHDLFTRSA-N 480.315 3.898 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(Cl)cc1Cl 41011822 XLLJEBXJASPOQJ-XNTDXEJSSA-N 461.301 3.987 50 10 JHGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCN2CCOCC2)cc1C 102859290 LOIUTCOQUZRDFJ-NKFKGCMQSA-N 485.588 3.602 50 10 JHGE Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-] 206677358 ZOWWBRRXTJPDQJ-MFOYZWKCSA-N 476.401 3.847 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccncc3)n2-c2ccc(OC)cc2)cc1 254441130 JHONUHJEPSYGGV-UHFFFAOYSA-N 474.546 3.589 50 10 JHGE CC(=O)[C@H](Br)c1cccc(I)c1I 306915507 UZYZZWGIDVPNOG-QMMMGPOBSA-N 464.866 3.921 50 10 JHGE Cn1ncc([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)c1Br 393693771 KVJIAGJFQSDXBP-GFCCVEGCSA-N 463.955 3.924 50 10 JHGE O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCSC[C@H]1CCBr 689309291 HRXLWGYVIOWBMB-SECBINFHSA-N 463.644 3.994 50 10 JHGE O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNC(=O)c1ccccc1OCc1ccc(F)cc1 725936069 XVPJWLYMTVMHQA-JKRLWXMKSA-N 452.526 3.887 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)cc1 1772750978 FCUJVPKNANNMRI-UHFFFAOYSA-N 475.574 3.998 50 10 JHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H]2CCCCO2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867247189 AHLXBKGJUYKENN-FYYLOGMGSA-N 481.574 3.810 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc(CBr)cc1[N+](=O)[O-] 1912988374 DJVBUHAIEBPPCN-UHFFFAOYSA-N 469.295 3.904 50 10 JHGE Clc1cc(CN2C[C@@H]3OC[C@H](CBr)[C@@H]3C2)ccc1I 2142946376 ZYQYEFPWJWYCDQ-MJVIPROJSA-N 456.549 3.786 50 10 JHGE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163057093 YGEHUKURYXTARK-HOCLYGCPSA-N 461.422 3.895 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N[C@H](CBr)c2cscn2)c1Br 2175674886 LPFGZBWMJFTLIU-MRVPVSSYSA-N 460.238 3.998 50 10 JHGE Cc1cnc(CN(C)S(=O)(=O)c2cc(CBr)sc2Br)s1 2179785894 RYJLPFRLOYJBGT-UHFFFAOYSA-N 460.238 3.991 50 10 JHGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)N1CCC(CCBr)CC1 2197754408 FYGFMIDNRBQHAY-HXUWFJFHSA-N 459.450 3.800 50 10 JHGE O=C(NC/C=C/CBr)c1ccc(Br)cc1I 2244739885 RSMHVNFTUQUYOP-OWOJBTEDSA-N 458.919 3.735 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@H](NC(=O)OC(C)(C)C)C1 2322068820 LPJDGKHYPVIREI-BTYIYWSLSA-N 493.692 3.773 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@H](CCBr)C(F)(F)F 2364017395 KKNDTXSVIZBGCN-RXMQYKEDSA-N 485.924 3.733 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC(F)(F)C[C@@]1(C)CBr 2364022390 OZFBRSMZKNOFDV-JTQLQIEISA-N 479.945 3.580 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 13977074 JTBBNOKOOAXPRU-UHFFFAOYSA-N 478.412 3.770 50 10 JHGE O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccc(-c2cccc(Br)c2)o1 33737113 XOBHFJZUDLGKJV-APYKENOFSA-N 452.308 3.689 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(O)cc2Br)cc1 58894179 ZTBOLWLNTVUABV-MTEVNVADSA-N 451.317 3.526 50 10 JHGE O=C(COc1cccc(Br)c1)N/N=C/c1cc(Br)c(N2CCCC2)o1 59249361 LFXUWNRWWSLXGV-KEBDBYFISA-N 471.149 3.934 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccccc1O 59829647 OJUYPLABRUGNTQ-GZPJKGAFSA-N 450.568 3.803 50 10 JHGE CCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207228907 NOMDLZKSXLWNFR-PCJWLMPMSA-N 476.529 3.869 50 10 JHGE CCOc1ccccc1OCC(=O)NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 254837634 JOLZKFHIOVPLIX-UHFFFAOYSA-N 463.446 3.742 50 10 JHGE O=C(COc1ccccc1F)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727722782 OVVLGGXVRIRXKK-UHFFFAOYSA-N 464.428 3.885 50 10 JHGE O=C(Nc1cc(F)ccc1C(=O)NNC(=O)c1cc(F)ccc1Br)c1ccoc1 728546655 FSPFOBBPKHXEIX-UHFFFAOYSA-N 464.222 3.647 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)c2ccoc2)nnc1-c1ccc(Cl)cc1Cl 747183984 IYBVAOYJNYXCMW-UHFFFAOYSA-N 452.323 3.584 50 10 JHGE CS(=O)(=O)c1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 918571613 GNEYTADDENWGPJ-UYRXBGFRSA-N 493.976 3.744 50 10 JHGE C[C@H]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)=C2NC=C(C(=O)NN=Cc3ccccc3)C(=O)N21 1088659699 LXDSEASZBGMCOX-AWEZNQCLSA-N 498.370 3.792 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2ccc(Cl)cc2Cl)cc1 1566597191 HOQKXJMMRPJNRA-UHFFFAOYSA-N 458.367 3.740 50 10 JHGE C=CCN1CCC(NC(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1 1616331631 XQJXKQZPGQNQKK-UHFFFAOYSA-N 450.699 3.720 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(Br)c2Cl)cc1 1670741341 CSXAFRJYVRCRAT-NSHDSACASA-N 454.708 3.925 50 10 JHGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865695732 RZDIQPWEFMEUDF-QGZVFWFLSA-N 457.412 3.912 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2ccc(I)c(Cl)c2)[C@H]1Br 1911027721 VLHWMCGJSAVUGF-WDEREUQCSA-N 458.521 3.615 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@@H]2[C@H]1CBr 2078298521 NXMCEXPGZGRZKY-QOSJWCAFSA-N 484.957 3.909 50 10 JHGE COc1ncc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1F 2078934807 UZUDGMSGZOGHIP-UHFFFAOYSA-N 479.997 3.933 50 10 JHGE CCCN1CC[C@H]([C@@H](Br)c2ccccc2I)S1(=O)=O 2089533621 AFSWNBSYXVRTHQ-OLZOCXBDSA-N 458.159 3.541 50 10 JHGE C[C@@]1(CCl)COCCN1C(=O)c1ccc(I)c(Br)c1 2112707875 JMMCOTZUFXQJLI-CYBMUJFWSA-N 458.521 3.524 50 10 JHGE O=C(c1scc(Br)c1Br)N1CCN(CCCBr)CC1 2113617921 IWQUVBADGDJDOM-UHFFFAOYSA-N 475.044 3.816 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189051187 SRVRSMSIKIDMAS-GDGBQDQQSA-N 467.983 3.694 50 10 JHGE CC(C)(C)OC(=O)N1CC(c2csc(NS(=O)(=O)CCC(CCl)CCl)n2)C1 2201914579 PCEOYWXRPLYBLK-UHFFFAOYSA-N 458.433 3.703 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2ccc(Cl)c(I)c2)C1 2268342714 TXGSTIOKKAQIDB-ZJUUUORDSA-N 458.521 3.569 50 10 JHGE CCc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)cc1 2296033172 CBVSYGZFDDIDIO-UHFFFAOYSA-N 452.565 3.521 50 10 JHGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2Br)c(OC)c1 2314737389 GHHCLWGRSUFGSK-UHFFFAOYSA-N 473.323 3.875 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H]1COc2ccccc2O1 2314754932 IYTXCSHXWHMDTC-XMMPIXPASA-N 474.469 3.647 50 10 JHGE N#Cc1ccc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)cc1Cl 2343411262 DBUXIRONPKXOLK-INIZCTEOSA-N 457.777 3.860 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CCC2)C[C@@H]1CBr 2364215007 IHAPJMKYSWQZIP-QGZVFWFLSA-N 497.455 3.812 50 10 JHGE CC[C@H](Nc1cccc(Br)c1)C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 252601744 FCKPOSPPBLSOSB-INIZCTEOSA-N 450.333 3.816 50 10 JHGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 252602892 FLSLQFAQGTZMCM-UHFFFAOYSA-N 479.558 3.574 50 10 JHGE CCOC(=O)c1sc(NC(=O)NN=Cc2cc(OC)ccc2OC)c(C(=O)OCC)c1C 256018450 JVXDMCJLVGWQJA-UHFFFAOYSA-N 463.512 3.583 50 10 JHGE O=S1(=O)CC(COc2c(Br)cc(CBr)cc2Br)C1 722767298 FUYYSBYSLAUVML-UHFFFAOYSA-N 462.985 3.530 50 10 JHGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1OC 725391352 CJPHKVZXIZUMHW-UHFFFAOYSA-N 496.995 3.964 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(Cl)c2OCC(F)F)cc1 1476693322 RYZBUSYCFYBXBD-GFCCVEGCSA-N 455.845 3.807 50 10 JHGE COc1cc2nc(/C(C#N)=C/c3ccc(OC)c(O)c3Br)nc(O)c2cc1OC 1872727552 JMXRIVICWIQGGJ-IZZDOVSWSA-N 458.268 3.893 50 10 JHGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1cc(CBr)sc1[N+](=O)[O-] 1913031327 XUUUIIZROQSEKM-UHFFFAOYSA-N 461.297 3.576 50 10 JHGE COC[C@@](C)(CBr)CNC(=O)c1cc(Br)cc(Br)c1 1926998514 FCCMQKFHMMFAIR-ZDUSSCGKSA-N 457.988 3.989 50 10 JHGE O=C(N[C@@H](CCS(=O)(=O)CC1CC(Cl)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1991717702 ANUURDVRLYGSHC-LGHDPPOTSA-N 491.993 3.801 50 10 JHGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1scc(Br)c1Br 2072942732 BLYPBALCEGGVAI-HTRCEHHLSA-N 462.001 3.803 50 10 JHGE O=C(c1ccc(Br)cc1I)N(CCCl)CC(F)F 2086147038 IHLZHRHFCGJLED-UHFFFAOYSA-N 452.464 4.000 50 10 JHGE O=C(c1csc(Br)c1Br)N1CCN2C[C@@H](Br)C[C@@H]2C1 2093941840 DDRWEZBHVIBEBK-JGVFFNPUSA-N 473.028 3.567 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179947142 PYAKMJZZHCRPFC-UHFFFAOYSA-N 475.346 3.580 50 10 JHGE COc1cc(F)c(CCl)c(-n2cnc(I)c2I)c1 2256278197 DBOAJEKIZTXKGC-UHFFFAOYSA-N 492.457 3.968 50 10 JHGE CCOc1cc(C=NNC(=O)C(=Cc2cc(OC)ccc2OC)NC(=O)c2ccccc2)ccc1O 2296977104 GOQMQYIYJWJIBN-UHFFFAOYSA-N 489.528 3.729 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1OC 2297314162 VWAAHKQYCWAQHV-UHFFFAOYSA-N 457.533 3.653 50 10 JHGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1 2297534021 GHVIEVXOOKWREB-UHFFFAOYSA-N 451.504 3.621 50 10 JHGE COc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 2313567064 CHIHEVYJCLDYRW-UHFFFAOYSA-N 460.284 3.940 50 10 JHGE Cc1ncnc(N2CC[C@@H](Br)C[C@H]2C(F)(F)F)c1I 2339897714 HVPVKSIZMDKIHX-SFYZADRCSA-N 450.040 3.684 50 10 JHGE O=C(NC[C@@]1(CBr)CCCOC1)c1ccc(Cl)cc1I 2365592652 PBQFEZGMSNYXRK-AWEZNQCLSA-N 472.548 3.866 50 10 JHGE CS(=O)(=O)C1CC(CO[C@@H](CI)c2ccc(Br)cc2)C1 2380701951 LUZLDRNCQBMJRK-DBRPNBKGSA-N 473.170 3.765 50 10 JHGE COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 9090486 CBKPHQCVIXSTDD-QGOAFFKASA-N 489.488 3.970 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 12502487 JHEUWXFGIWFLMF-UHFFFAOYSA-N 460.968 3.853 50 10 JHGE Cn1cc(C(=O)NNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc21 15093079 ZSVWHGUWVKFTAS-UHFFFAOYSA-N 489.454 3.783 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCC#N 59333066 OYUMESRRJPUCPR-QGOAFFKASA-N 481.350 3.616 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384966 IXBLMWQZEDGMAC-KCBMDGGTSA-N 464.334 3.845 50 10 JHGE CC1=C(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384973 WAKPMKTVFMQKRK-KCBMDGGTSA-N 464.334 3.845 50 10 JHGE Cc1ccc(SCc2c(C(=O)NN=Cc3ccc(C(C)C)cc3)nnn2-c2nonc2N)cc1 254735540 KNEIWJJOOJJXBI-UHFFFAOYSA-N 476.566 3.721 50 10 JHGE Cn1cc(Br)c([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)n1 693045583 YMBCZDBWTDWAID-GFCCVEGCSA-N 463.955 3.924 50 10 JHGE O=C(NCC1(c2ccc(Br)cc2)CCOCC1)NNC(=O)c1cccc2cccnc12 726276270 PBXGREZMLLBTSX-UHFFFAOYSA-N 483.366 3.690 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(-c2ccccc2)n1 914465519 AECGVCMJKACCQQ-NKFKGCMQSA-N 478.556 3.792 50 10 JHGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1083972566 AEAIFSBCOQZIHZ-KRWDZBQOSA-N 464.334 3.845 50 10 JHGE CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 1084399149 WESDIUOAKOATES-UHFFFAOYSA-N 496.564 3.828 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084485848 GFSSUZGRQURALG-GOSISDBHSA-N 464.303 3.820 50 10 JHGE C[C@@H]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)=C2NC=C(C(=O)NN=Cc3ccccc3)C(=O)N21 1088659700 LXDSEASZBGMCOX-CQSZACIVSA-N 498.370 3.792 50 10 JHGE CC(=O)CCc1ccc2oc(C(=O)NNc3nc(O)c4cnn(C(C)(C)C)c4n3)c(C)c2c1 1306561836 VEXYOGPVXYCECF-UHFFFAOYSA-N 450.499 3.620 50 10 JHGE CC(=O)N[C@@H](C(=O)NNc1ccc(Br)c(C)c1)c1cccc(Br)c1 1566610515 HDOFEMBUXWHWFW-MRXNPFEDSA-N 455.150 3.841 50 10 JHGE CC(=O)c1cccc(CNC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 1682401902 QZRFKTRFVVVBJO-UHFFFAOYSA-N 453.502 3.886 50 10 JHGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695651 FOZINWIBAMZEGT-SFHVURJKSA-N 482.338 3.915 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1O 1865706125 ODIDDSSBPIBZFX-LJQANCHMSA-N 453.296 3.876 50 10 JHGE COC[C@](C)(CBr)N(C)c1ncc(I)cc1Br 2015762462 LIRAWXYYJINESL-NSHDSACASA-N 477.966 3.685 50 10 JHGE CC(=C(C#N)P(=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N1CCOCC1)N1CCCC1 2053497753 CFAARXFTKFYSGQ-UHFFFAOYSA-N 474.502 3.773 50 10 JHGE CCN1CCC[C@H]([C@H](Br)c2ccccc2I)S1(=O)=O 2089534776 HXIZEUILZZAWPO-CHWSQXEVSA-N 458.159 3.541 50 10 JHGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2[C@H]1CCCCN1C(=O)OC(C)(C)C 2105847765 MDMHBSNENHJVKP-CXTCDGGRSA-N 479.355 3.692 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CCC2)[C@H](CCl)C1 2151646678 ZFXHPSWBSHBNFR-QGZVFWFLSA-N 453.004 3.514 50 10 JHGE CC1(C)[C@@H](CCl)OCCN1C(=O)c1cc(Br)ccc1I 2159643864 RZSYWNWASVXGAW-GFCCVEGCSA-N 472.548 3.912 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1S(=O)(=O)c1ccc(CBr)cc1 2163056482 SDTUHPZKLYSPDQ-ZNMIVQPWSA-N 461.422 3.988 50 10 JHGE Cc1ccc([C@@H](Br)CS(=O)(=O)N2CCCCC2)cc1I 2232824577 BDDRLOZPGMLRIP-ZDUSSCGKSA-N 472.186 3.851 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2322022744 SOFOUAQYNUOHSI-YCRPNKLZSA-N 493.692 3.630 50 10 JHGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 2324903191 HPEARAJSGJBCII-HDOKVFJDSA-N 465.550 3.800 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)C=Cc3ccc(Cl)cc3)c(=O)c2c1-c1ccccc1 2325890815 CPZXAUGCCDWZRC-UHFFFAOYSA-N 478.961 3.948 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)CC(C)(C)C 2338670453 QGMHEGXSGFTQKT-SSDOTTSWSA-N 460.008 3.875 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2364231520 ZVWJDPRWJMVXBB-CIUDSAMLSA-N 470.003 3.581 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(C)c(I)c1 13980482 IBYYKEHRIFJQMW-CYBMUJFWSA-N 466.319 3.953 50 10 JHGE O=C(NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40610859 XXRYOEKHHWXSPI-UHFFFAOYSA-N 488.335 3.775 50 10 JHGE CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2cccc(Br)c2)cc1 59385416 ADMVTZTYJDUYOI-AOOMUMSASA-N 473.396 3.791 50 10 JHGE O=C(CCC(=O)N/N=C/c1ccccc1Br)N/N=C/c1ccccc1Br 59502104 MBBJEEUVOJAQNK-XHQRYOPUSA-N 480.160 3.592 50 10 JHGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101335329 XXKCQYGIZGLZPH-HYARGMPZSA-N 483.484 3.686 50 10 JHGE CC[C@@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 137054203 PUIJKAMHROHZJO-QMMMGPOBSA-N 464.017 3.972 50 10 JHGE Cc1ccccc1OCC(=O)NN=Cc1cc(Br)cc(I)c1O 254490257 TWTPKSPYNFWNJK-UHFFFAOYSA-N 489.107 3.597 50 10 JHGE CCOc1cc(C=NNC(=O)CSc2nnc(C)s2)ccc1OCc1ccccc1C#N 254506673 XWRJMLZKBYYIEB-UHFFFAOYSA-N 467.576 3.938 50 10 JHGE O=C(NN=C1C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21)c1ccc(F)cc1 254851588 PKDAWHOUIYQCOC-JOCHJYFZSA-N 457.509 3.886 50 10 JHGE O=C(NCc1ccc2c(c1)OCCCO2)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727605587 PPJPBWJXAWIXJQ-UHFFFAOYSA-N 465.481 3.710 50 10 JHGE O=C(NNC(=O)c1cccc2cccnc12)c1ccc(Br)cc1I 727801887 LDLWQZNKOGVBIC-UHFFFAOYSA-N 496.102 3.677 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)n1C[C@H]1CCCO1 743662806 AQAAZHJZUFKYPW-GOOXQAOHSA-N 497.617 3.971 50 10 JHGE COC(=O)C[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccc(Br)cc1 917865095 CUHWIEHIGAQWIF-KRWDZBQOSA-N 460.777 3.813 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCCCN2S(=O)(=O)c2ccc(CBr)cc2)C1 1260505957 XVBRYYFTDLDIHE-UHFFFAOYSA-N 459.406 3.746 50 10 JHGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715129 WVJQMLCXSDTZRB-OAQYLSRUSA-N 464.497 3.964 50 10 JHGE CCCc1ccc(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1865845208 NCZOIZILMYMLJA-UHFFFAOYSA-N 490.585 3.612 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 1866856492 JIOIBANCEKZTQU-NRFANRHFSA-N 496.495 3.548 50 10 JHGE COc1ccc([C@@H](C(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867014864 ZUJHXFXWPGLTQZ-YADHBBJMSA-N 453.564 3.658 50 10 JHGE CCN(C[C@](C)(CI)OC[C@@H]1C[C@@]12CCOC2)C(=O)OC(C)(C)C 2021276906 NNMKZZSKEBFJOO-JCGIZDLHSA-N 453.361 3.880 50 10 JHGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1cc(Br)c(Br)s1 2039821702 MLLMGBWIFPAVPP-RNFRBKRXSA-N 462.001 3.803 50 10 JHGE Cc1cc(I)cc(C(=O)CBr)c1I 2060167250 KZRXTJJEYNAUAZ-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE C[C@H]([C@@H](Cl)c1ccc(Br)cc1I)S(=O)(=O)N(C)C 2086149982 VGLSTPAABJLRSE-RDDDGLTNSA-N 466.566 3.614 50 10 JHGE C[C@@H]1CCC[C@](CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089708383 ZBRHZOWVUFYSDH-IERDGZPVSA-N 485.444 3.716 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NS(=O)(=O)c3ccc(CBr)cc3)CC[C@H]2C1 2162588152 BVGBXYFYTKYTLX-UAGQMJEPSA-N 459.406 3.505 50 10 JHGE O=S(=O)(N[C@@H](CBr)c1cscn1)c1c(Cl)cccc1Br 2175670753 KUQONSKHZRYBQT-VIFPVBQESA-N 460.600 3.974 50 10 JHGE COCCN(C[C@H](C)Cl)C(=O)c1cc(I)ccc1Br 2272432892 CYVVHFNJVOQDGA-VIFPVBQESA-N 460.537 3.770 50 10 JHGE O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2297635510 GMIXSGODPKBLGX-UHFFFAOYSA-N 466.881 3.594 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@]1(C)CCN1C(=O)OC(C)(C)C 2325069805 HPEBPKWQUIAHQZ-LEWJYISDSA-N 493.692 3.725 50 10 JHGE COc1cc([N+](=O)[O-])ccc1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2325406056 QMWNHGLAAVLUNG-UHFFFAOYSA-N 478.246 3.975 50 10 JHGE CC(C)[C@@H]1C[C@](C(=O)O)(N(C)C[C@H]2C[C@@H]2Br)CN1C(=O)OCc1ccccc1 2325645973 BNYJDZKSESDIGN-WKRCXCSHSA-N 453.377 3.592 50 10 JHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4ccc(F)c(Br)c4)c(=O)c23)C1 2325904330 UGLNDWUNWQSSQU-NSHDSACASA-N 477.359 3.635 50 10 JHGE C[C@@H]1C[C@H](Br)CCN(C(=O)c2c(Br)c(Br)nn2C)C1 2338680385 BZXIIUSDLGVUPU-HTQZYQBOSA-N 457.992 3.581 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CCCC[C@H]1Br 2338862600 XTGNORQFLAVANT-JGVFFNPUSA-N 457.992 3.629 50 10 JHGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14643343 BKQAGDZIYRPIQD-HNNXBMFYSA-N 476.371 3.889 50 10 JHGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)c(C)c1 33758352 GOVRQEXVOPTEGL-HKWRFOASSA-N 460.534 3.942 50 10 JHGE O=C1C[C@@H](I)[C@@](c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1 33902581 UBQSMYZUMKSSBD-NFBKMPQASA-N 488.369 3.687 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2[N+](=O)[O-])cc1 40658887 ZEHDKYGOBNYBDQ-UHFFFAOYSA-N 464.360 3.793 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cccc(O)c1 59486859 XHJBRYIMRROYBW-WYMPLXKRSA-N 456.959 3.678 50 10 JHGE CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NCCc1ccc(OCC)c(OCC)c1 217156587 FSQHOVUUNHJHTG-ZPHPHTNESA-N 451.523 3.839 50 10 JHGE Cc1ccc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2)cc1C 254678880 VMMUPJFNAJQKDH-UHFFFAOYSA-N 486.572 3.978 50 10 JHGE O=C(c1ccc(F)cc1I)N1CCSC[C@@H]1CCBr 689280607 SIYKTQPXOHDAKE-JTQLQIEISA-N 458.134 3.773 50 10 JHGE CC(=O)Nc1ccc(C(C)=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 1084545175 FVXKOYMQCXNJAG-UHFFFAOYSA-N 464.547 3.624 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCCN(S(=O)(=O)c3ccc(CBr)cc3)C2)C1 1260506537 HEPQGKFXJOFIQA-UHFFFAOYSA-N 459.406 3.603 50 10 JHGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)/C=C/c1cccc(OCc2ccccc2)c1 1865757396 AQBIOQWUMYWWLR-ZHACJKMWSA-N 471.542 3.962 50 10 JHGE CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)cc1 1866130089 ZPSVDXCYPORLIT-FOWTUZBSSA-N 460.943 3.674 50 10 JHGE O=C(N[C@@H](C[S@](=O)C[C@H]1C[C@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1883576864 HHDGURMDMYIUHK-VMNJRIKJSA-N 492.391 3.510 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)[C@@H](Br)C1CCCC1 1979584346 GHPUEPJOZJGXPS-INIZCTEOSA-N 492.455 3.818 50 10 JHGE COC(=O)Cc1cc(I)c(I)c(CBr)c1 2055322819 IXWZSOKIXSPESP-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE O=C(CBr)c1cc(I)cc(I)c1S 2060151545 ZPPYUAORKSLQAP-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE C[P@@]1(=O)C[C@H](NC(=O)c2cc(I)ccc2Br)[C@@H](Cl)C1 2121337889 PJOJRXBSTMIAAM-ADWYPQAOSA-N 476.476 3.766 50 10 JHGE O=C([C@H](Br)C1CCCC1)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 2167034335 RMKYCRMKNGTYGH-GARJFASQSA-N 453.221 3.541 50 10 JHGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179792355 FEGXEWRMSQMYSE-HDICACEKSA-N 469.832 3.987 50 10 JHGE Cc1cccc(C(=O)N2CCOC[C@@H]2C[C@H](C)Br)c1I 2185320995 ZRTOSZHUMFVHIR-RYUDHWBXSA-N 452.130 3.614 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCSC[C@H]1CBr 2317776011 SFTCRFUQKOAAFF-SECBINFHSA-N 460.562 3.897 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 2325902660 BGZMWPCKRCTLFI-INIZCTEOSA-N 451.596 3.894 50 10 JHGE CCN(CC)Cc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325904358 ZFKSUMOYFZJOLP-KRWDZBQOSA-N 465.623 3.575 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCC[C@@H]1CCBr 2338678699 GFQJFEYWIWGPDH-HTQZYQBOSA-N 457.992 3.629 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@@H]2CC[C@@H]21 2355655300 FPXRPDSPKHHSBM-BBWFWOEESA-N 459.406 3.648 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361462298 HYEJMRZXFNPZES-RQJHMYQMSA-N 457.131 3.990 50 10 JHGE O=C(CCC(=O)N/N=C/c1ccc(Br)s1)N/N=C/c1ccc(Br)s1 12575045 CETZYXRPMCFHER-ZEELXFFVSA-N 492.218 3.715 50 10 JHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br 14771061 RTZKQFHXLJARIQ-UHFFFAOYSA-N 494.411 3.832 50 10 JHGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)NCCCOC(C)C 33367275 GXCDKYDASHZASI-HKWRFOASSA-N 460.534 3.942 50 10 JHGE COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959246 LNVZUOXSWSQFCG-CVKSISIWSA-N 464.474 3.704 50 10 JHGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)C(=O)Nc3ccc(C)c(C)c3)c3ccccc3C2=O)c(C)c1 38183824 ONSPZUOULZIZSN-HZHRSRAPSA-N 482.540 3.708 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38650297 UWSKTQCHGVPOAU-RUZDIDTESA-N 458.470 3.906 50 10 JHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812172 UQTZLAYZSBHBMS-OVVQPSECSA-N 490.472 3.625 50 10 JHGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2)c(OC)c1 40853320 YVPLWPSXSFDFQK-XNTDXEJSSA-N 460.280 3.912 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)Cn2cnc3cc(C)c(C)cc32)c1C 59166795 SZVFWHYXPLEXRH-KBKYJPHKSA-N 475.509 3.523 50 10 JHGE COc1cc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)ccc1O 59384974 RRNWYNPIBKENCM-WVZWPQFDSA-N 465.362 3.651 50 10 JHGE COc1cc(C)ccc1OCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 100460993 SSAKJTLIPAGOJS-UHFFFAOYSA-N 473.323 3.525 50 10 JHGE O=C(CCNC(=O)c1ccc(F)cc1Cl)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 107923733 QGOPMTGEQSXSTM-UHFFFAOYSA-N 480.883 3.868 50 10 JHGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NNC(=O)c2cccnc2)cc1 205964609 RMSDNUNAXFSKAL-RCCKNPSSSA-N 484.541 3.659 50 10 JHGE COc1cc(C)ccc1C(=O)NN=Cc1cccc(OC)c1OS(=O)(=O)c1ccc(C)cc1 252629723 UMKKAWIGVASKDB-UHFFFAOYSA-N 468.531 3.852 50 10 JHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc1 254394092 AKKREFWPLWJWCN-UHFFFAOYSA-N 477.492 3.714 50 10 JHGE Nc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(O)c1 382681717 AWORUDHOHFLVQX-WMLDXEAASA-N 452.292 3.762 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1Br 387898242 JKVZYADIGFGLAF-XCBNKYQSSA-N 472.946 3.909 50 10 JHGE CCOC[C@@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721619094 KSHMNUUIYCZHHT-VIFPVBQESA-N 490.961 3.584 50 10 JHGE Cc1ccc(C(=O)N[C@@H](CC(=O)NNC(=O)c2cccc3cccnc23)c2ccccc2)cc1 729843045 WBGYIBKTKXHJKB-QHCPKHFHSA-N 452.514 3.866 50 10 JHGE O=C(Cc1cccc(C(F)(F)F)c1)NN=Cc1cc(Br)c(N2CCOCC2)o1 1084448666 YGMZMGOGSNHXSV-UHFFFAOYSA-N 460.250 3.590 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nc(Sc3ccccc3)ns2)cc1 1465845118 PZZKYBZIXILZLV-ZDUSSCGKSA-N 457.537 3.512 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751278 LYBRZIZMHDJYLC-UHFFFAOYSA-N 470.533 3.623 50 10 JHGE O=C(NC[C@H]1C[C@H]1CBr)c1cc(I)ccc1Br 1907254945 PQVZLGCQERRJKR-JGVFFNPUSA-N 472.946 3.815 50 10 JHGE BrC[C@H](CC1CC1)Cn1cnc(I)c1I 1961125116 FXEJWOZUCCTYRG-QMMMGPOBSA-N 494.940 3.904 50 10 JHGE BrCCO[C@H]1CCCN(c2ncc(I)cc2Br)C1 2069528494 JRRQBRPFHBGJAE-JTQLQIEISA-N 489.977 3.829 50 10 JHGE O=C(O)COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCl)cc1 2070372163 GHTPCWCAECKBKR-KRWDZBQOSA-N 451.704 3.829 50 10 JHGE Clc1ccc(I)c(CN2C[C@@H]3OC[C@H](CBr)[C@@H]3C2)c1 2121589167 WBMSQEUBNMJCNR-JKOKRWQUSA-N 456.549 3.786 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCC2)CC[C@@H]1CBr 2152060983 MPURLSXUIPLQNR-QGZVFWFLSA-N 497.455 3.812 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2240737723 LRLFJEASYKZJKH-TXPKVOOTSA-N 497.455 3.667 50 10 JHGE COc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)ccc1Oc1c(F)c(F)c(F)c(F)c1F 2295157364 IIOVKOGBLNPLMC-UHFFFAOYSA-N 491.376 3.890 50 10 JHGE C[C@@H](Br)CN1CCN(Cc2cc(I)ccc2Cl)CC1 2352426661 WSUBLBKIMIBLLT-LLVKDONJSA-N 457.581 3.846 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCC[C@H](CCl)C1 2364195906 UXGSMESNSXRMPI-ZWKOTPCHSA-N 455.020 3.808 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](CBr)C12CCC2 2364213356 GQVQUDHLPVZNNK-QGZVFWFLSA-N 497.455 3.812 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccccc2[C@@H](C)CC)cc1 9872700 OPDQCWBQTVSGRB-ROUUACIJSA-N 455.555 3.932 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1 10506065 MSVCHUHHWFPRIX-UHFFFAOYSA-N 467.378 3.927 50 10 JHGE COc1ccccc1/C=C/C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 12403478 AHRQZGVDXDSEBT-FMIVXFBMSA-N 461.356 3.995 50 10 JHGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 13981208 YYLFXNUMLBQTPS-UHFFFAOYSA-N 484.405 3.870 50 10 JHGE Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823054 CZSXMZMGWOIDFF-PCLIKHOPSA-N 471.311 3.739 50 10 JHGE CC(C)[C@@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 126970316 WUFXZELSDGBHSJ-JTQLQIEISA-N 464.017 3.909 50 10 JHGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1CCN(c2ccc(F)cc2)CC1 217253874 SVDDBLUZODIEER-PEZBUJJGSA-N 490.320 3.907 50 10 JHGE COc1ccc(CC(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC 254310625 VXJJICBYDBUUCI-UHFFFAOYSA-N 463.446 3.524 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1 254744306 PXCSTYOLOZNSAD-GWRZGQJUSA-N 472.545 3.691 50 10 JHGE BrCCc1cn(-c2cc(Br)ccc2I)nn1 300887574 BVTUYUUJYUGDJJ-UHFFFAOYSA-N 456.907 3.572 50 10 JHGE Nc1ccc(O)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382740089 ZAYCZQAIGYKEHQ-YOEHRIQHSA-N 452.292 3.762 50 10 JHGE C[C@H](Br)CCNC(=O)c1ccc(I)c(Br)c1 721580250 UUESAYLTQKUZLG-ZETCQYMHSA-N 460.935 3.957 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)O[C@H](C(N)=O)c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1 821892378 DGOHCWHLPCYLGC-PFSBYRDKSA-N 477.883 3.933 50 10 JHGE Cc1cc(C=NNC(=O)COc2cccc3cccnc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1083900077 VXTHHYOCYGYNPN-UHFFFAOYSA-N 486.484 3.568 50 10 JHGE C#CCN1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 1302088220 KUFDPVLSQQMVEH-HMMYKYKNSA-N 451.368 3.541 50 10 JHGE CC(=O)N1CCCc2cc(NC(=O)NNC(=O)[C@H](C)Oc3c(C)cc(Cl)cc3C)ccc21 1623012707 AKAXZUVSBQTCGJ-HNNXBMFYSA-N 458.946 3.876 50 10 JHGE CC(=O)N[C@@H](C(=O)NNc1cc(F)ccc1Br)c1cccc(Br)c1 1638161539 QUWGWYKJXIAHFB-OAHLLOKOSA-N 459.113 3.671 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749046 JCQWHHKNKSXBBZ-UHFFFAOYSA-N 470.938 3.848 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751599 GYJPIQHPZRRPEK-UHFFFAOYSA-N 472.545 3.726 50 10 JHGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 1772755440 HSPLPBKSTNQKMI-UHFFFAOYSA-N 451.317 3.566 50 10 JHGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4ccccc4[C@H]3C2)n1 1868253956 ZIUYVDXFQXYUPY-JOCHJYFZSA-N 486.601 3.928 50 10 JHGE O=S(=O)(NC1CC([C@@H](F)CBr)C1)c1cc(Cl)c(Br)s1 1906454170 VYNSVNVPGXHDPC-QIECLKSESA-N 455.596 3.954 50 10 JHGE CC(N)=C(C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc3c(c1)OCO3)CC2 2042440587 MNACJILOQWKRJX-UHFFFAOYSA-N 467.481 3.932 50 10 JHGE O=C(NC[C@H]1C[C@@H](Cl)CCO1)c1ccc(I)c(Br)c1 2097944190 BNNVEWYLFOHITK-VHSXEESVSA-N 458.521 3.570 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(Br)cc1F 2136492132 HOTOSECZSUFVTF-GZMMTYOYSA-N 464.138 3.716 50 10 JHGE CC1(C)CO[C@@H](CCl)CN1C(=O)c1cc(I)ccc1Br 2167525890 BELVNNWQXHCZPU-JTQLQIEISA-N 472.548 3.912 50 10 JHGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2ccc(CBr)cn2)C1 2179809147 QFTQFWLWQDFFNP-LJQANCHMSA-N 452.418 3.652 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](OCCBr)C1 2268356702 UZCRKFAFSWHXPM-SNVBAGLBSA-N 458.521 3.571 50 10 JHGE C=CC[C@]1(CBr)CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2272230376 YMZZITUFFYYJHQ-OAQYLSRUSA-N 483.428 3.588 50 10 JHGE O=S(=O)(NC[C@@H]1CC[C@@H](CBr)CO1)c1cc(Cl)c(Br)s1 2279395250 VLTLQCGULPASNF-YUMQZZPRSA-N 467.632 3.632 50 10 JHGE O=C(NCC(F)(F)CBr)c1cc(I)ccc1Br 2299745462 NIXDYDFTBAKFAA-UHFFFAOYSA-N 482.888 3.814 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(OC)c1 2314771059 QAFSJDXDACNUNA-UHFFFAOYSA-N 476.485 3.895 50 10 JHGE CC1(NC(=O)OCc2ccccc2)CCC(NC[C@H]2C[C@@H](Br)C2)(C(=O)O)CC1 2322614838 BAZGOFVNDTXXRZ-AGXSTUJCSA-N 453.377 3.832 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2ccc(Cl)cc2I)C1 2340049854 KOVJZIFPFWMHLG-NXEZZACHSA-N 458.521 3.569 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC2(CC[C@H](CBr)O2)C1 2361880504 XLTDOXUJYAYZTH-SNVBAGLBSA-N 470.532 3.713 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2C)c1 12503443 ODBUMCXQBXYYOS-UHFFFAOYSA-N 463.987 3.560 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643057 QYNLRTKRGAYFQI-AWEZNQCLSA-N 462.344 3.643 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc(F)cc2)cc1 35419454 VBENFEATJDEGMV-NVNXTCNLSA-N 476.533 3.735 50 10 JHGE O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 59160605 XTGNDOMHFZRTPV-VULFUBBASA-N 477.542 3.786 50 10 JHGE Cc1cc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1cccc(C(C)C)c1 97490883 BGMBJLXPBSSIQW-UHFFFAOYSA-N 453.564 3.696 50 10 JHGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3\CC(=O)CC(C)(C)C3)cc2)cc1 100557550 LYGNZPQZCDHCIZ-LKUDQCMESA-N 455.580 3.681 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618920 QRPRODFASIXIBU-TWKHWXDSSA-N 499.502 3.821 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1C(C)(C)C 207214653 YRVOVCDEVLAHDP-HKWRFOASSA-N 478.545 3.743 50 10 JHGE O=C(NC1(CBr)CCOCC1)c1cc(Br)ccc1Br 230746807 ZHLSCSZNIYUFTR-UHFFFAOYSA-N 455.972 3.886 50 10 JHGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 254516889 CXOSTSZGHPTTJZ-UHFFFAOYSA-N 475.501 3.792 50 10 JHGE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 728216807 IGCOWSMKEOBVOC-HSZRJFAPSA-N 464.547 3.906 50 10 JHGE N#C/C(=C/c1cn(CC(=O)N2CCCCCC2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 1084263172 AFOVAAUOOXLDII-STZFKDTASA-N 484.556 3.996 50 10 JHGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 1084284396 KXKFYAUJJWKIGR-UHFFFAOYSA-N 489.893 3.788 50 10 JHGE O=S(=O)(NC[C@@H](Br)CBr)c1ccc(Br)cc1Cl 1184825134 XBUBYHAJXAKFDK-ZETCQYMHSA-N 470.408 3.539 50 10 JHGE CCCCN1C(=O)C(=NNC(=O)COc2ccccc2Br)c2cc(OC)ccc21 1772720069 AWODCKRZJOLFMC-UHFFFAOYSA-N 460.328 3.504 50 10 JHGE Cc1c(C(=O)NNC(C)(C)C)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749064 WFILRICGKFJAMP-UHFFFAOYSA-N 461.906 3.653 50 10 JHGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3nc(C)n(C)n3)CC2)n1 1868253211 CLHOYMSNDDGLPL-UHFFFAOYSA-N 464.599 3.803 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNCC1CN(C(=O)OCc2ccccc2)C1 1882323741 OWHBOFVRPJFVBS-UHFFFAOYSA-N 455.646 3.751 50 10 JHGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915115477 MRXFNBXWVQTWMV-IBGZPJMESA-N 462.999 3.912 50 10 JHGE CC(C)(C)OC(=O)NC1(C(=O)NC[C@H]2C[C@H](Br)C2)CCN(Cc2ccccc2)CC1 1991447902 UFQXZWGXQNBNGS-WGSAOQKQSA-N 480.447 3.836 50 10 JHGE COc1nsc(CNCCSSCCNC(=O)OC(C)(C)C)c1Br 2010828071 ANEJPUCESWGWFQ-UHFFFAOYSA-N 458.469 3.910 50 10 JHGE BrC[C@H]1CN(c2ncc(I)cc2Br)C2(CC2)CO1 2069533132 YVNUTFLHPYJNQM-VIFPVBQESA-N 487.961 3.581 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCO[C@H](CCBr)C1 2116238886 NKDZIFJBKRXHSQ-GFCCVEGCSA-N 455.972 3.838 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2132365120 NRRQLWSZEBZEBE-HOCLYGCPSA-N 459.793 3.676 50 10 JHGE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2162586823 MRKWFGLKANHXJG-INIZCTEOSA-N 461.422 3.895 50 10 JHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCCl)C1CCCCC1 2164494484 VVHXUHBAGNOQNJ-GHTZIAJQSA-N 458.983 3.508 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179827739 IPWZQFVQTFFFSP-ZWKOTPCHSA-N 465.404 3.723 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCO[C@@H]2C[C@H](Cl)C[C@@H]21 2185325997 OZCJAJAFBFWMLG-OXHMUOHRSA-N 470.532 3.665 50 10 JHGE O=S(=O)(Nc1cc(Br)c(Br)c(Br)c1)N1CC(Cl)C1 2254134459 WAMZGUNDEYWIQR-UHFFFAOYSA-N 483.407 3.554 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1OC 2313601892 LPJJCRXEOLEIEP-UHFFFAOYSA-N 485.334 3.859 50 10 JHGE CC(C)CN(C[C@H](C)Br)C(=O)c1c(Br)c(Br)nn1C 2338863720 NJTWKVVMEHGASK-QMMMGPOBSA-N 460.008 3.827 50 10 JHGE CN(CC[C@@H](Cl)c1cccs1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2366248127 PNNRHVNSLCUJGV-UZLBHIALSA-N 472.991 3.704 50 10 JHGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 13989272 IKFHAWBMYAKGMX-GFCCVEGCSA-N 486.160 3.514 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)ccc1Br 14035381 WTLSWTQEFQVRTF-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)c1C 33422990 UUWDGBMNIGOPEH-HKWRFOASSA-N 460.534 3.942 50 10 JHGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 48571949 XLVKPFJOSSTKEN-STBIYBPSSA-N 489.528 3.583 50 10 JHGE Cc1cc(S(=O)(=O)NC(C)(CBr)CBr)sc1Br 126521563 OXZOJVBOFGYSPW-UHFFFAOYSA-N 470.046 3.646 50 10 JHGE COc1ccc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c(OC)c1 254487152 ZORSZAIBVAQYHT-UHFFFAOYSA-N 462.531 3.601 50 10 JHGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccco1 254702212 RTKBASWKJNHKHH-UHFFFAOYSA-N 470.481 3.894 50 10 JHGE C[C@@H](Br)C(=O)c1cccc(I)c1I 307133687 XYJYTWSEULCUPB-RXMQYKEDSA-N 464.866 3.862 50 10 JHGE CCOC(=O)Cc1csc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)n1 918640950 DLSSDWCUXPUCNK-GZTJUZNOSA-N 460.519 3.572 50 10 JHGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccccc2C(=O)O)cc1 1083902037 TXLNDHPWSQLZJX-UHFFFAOYSA-N 485.949 3.768 50 10 JHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Cl)c2)Cc2ccccc2)cc1 1084471428 JBGMEBFWPFYYGY-UHFFFAOYSA-N 455.967 3.990 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c1 1176933311 MQCLQAYRIYYMQL-UHFFFAOYSA-N 452.543 3.606 50 10 JHGE CC(C)Oc1cccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860771640 CGEMXXMQXPLQDU-LPQFERQCSA-N 480.590 3.546 50 10 JHGE COc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc(OC)c1OC 1865755732 NRHBZXJHMDUXQY-UHFFFAOYSA-N 455.898 3.811 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(Br)ccc2I)[C@H]1Cl 1910986478 QYLAJWQEASTTFU-WDEREUQCSA-N 458.521 3.568 50 10 JHGE COC(=O)Cc1cc(I)cc(CBr)c1I 2055323820 TVDIQKRTGWOCNV-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE COC(=O)Cc1cc(OC(F)(F)F)cc(I)c1CBr 2055370435 DDMXWZVVRUWCQQ-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE O=C(N[C@@H](CBr)c1ccsc1)c1ccc(I)c(O)c1 2119037401 CKSPKJVPCMVLOG-NSHDSACASA-N 452.111 3.924 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2139255076 NOBQMQULCIMVBO-GUBZILKMSA-N 455.159 3.773 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CC(OCCCBr)C1 2141975681 HFKIZTRGPMUHJX-UHFFFAOYSA-N 455.972 3.838 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCC2)CC[C@H]1CCl 2152060412 HVDAURIXWDXOKS-KRWDZBQOSA-N 453.004 3.656 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178090245 GNZOPJAUNLNQIH-PEXQALLHSA-N 467.983 3.694 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189066390 JZHLBHSODGCGQH-DDFAGTSDSA-N 467.983 3.694 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)Cc1cccc(Br)c1 2226100836 DCMGSJJXUYZLOL-GWCFXTLKSA-N 460.175 3.718 50 10 JHGE CC(C)CN(C[C@H](C)Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2259745314 SETWRFSLNNHOFA-INIZCTEOSA-N 473.433 3.524 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(CCCCCl)CC1 2283134304 VIYRMFWHZIHUIN-UHFFFAOYSA-N 455.020 3.904 50 10 JHGE Cc1cc(C=C(C#N)C(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1CC(C)C 2297434725 KNNJPZMJTHQAAR-UHFFFAOYSA-N 462.594 3.556 50 10 JHGE Cc1ccc(C)c(OCCn2cc(C=C(C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)c1 2297551934 AUVGBWCQGCDANY-UHFFFAOYSA-N 470.573 3.968 50 10 JHGE O=C(C=Cc1ccccc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 2313607219 MOAQHHZWQABQJX-UHFFFAOYSA-N 450.564 3.554 50 10 JHGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)[C@@H]([C@H](C)CC)N2C(=O)c3ccccc3C2=O)c1 2314760315 KPRWNTUHSUOFDL-OPAMFIHVSA-N 460.486 3.773 50 10 JHGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2324879634 INIIXBAOKAOMDR-UHFFFAOYSA-N 478.374 3.830 50 10 JHGE COC[C@]1(CBr)C=CCN1c1ncc(I)cc1Br 2326786164 VMMMZYBPRUETIJ-GFCCVEGCSA-N 487.961 3.605 50 10 JHGE Clc1ccc(CN2C[C@@H]3[C@H](CBr)CO[C@H]3C2)cc1I 2337229177 FTCIWKKJVYGXIO-GYSYKLTISA-N 456.549 3.786 50 10 JHGE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2369477990 YWGFMULAJZWAIA-MRXNPFEDSA-N 457.346 3.552 50 10 JHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 9821823 YMIFSLHANJFQLJ-UHFFFAOYSA-N 477.586 3.570 50 10 JHGE O=C(CCCNC(=O)c1ccccc1Br)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 38249357 GJEFSLWUYSNIMO-UHFFFAOYSA-N 498.164 3.739 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2cccs2)nnc1-c1ccc(Br)cc1 58989909 PZDRSLVCLFGURR-RGVLZGJSSA-N 465.402 3.506 50 10 JHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598952 AEIBUYBWQZONFW-ZXVVBBHZSA-N 494.935 3.552 50 10 JHGE CCOc1cc(/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214424416 QNPNVHADGWTPFN-HMAPJEAMSA-N 474.513 3.820 50 10 JHGE COc1ccccc1N[C@@H](C)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 254568034 ZLDKTWLFICLWDA-JTQLQIEISA-N 471.149 3.877 50 10 JHGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC 254826959 GRZNTNQGCVSGGJ-UHFFFAOYSA-N 481.574 3.748 50 10 JHGE O=C(c1csc(I)c1)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 709778427 AYRPXZKMBNPSFH-HTQZYQBOSA-N 468.076 3.998 50 10 JHGE N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 1083947144 PFZOWAVOXBEIQI-CXUHLZMHSA-N 468.307 3.660 50 10 JHGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccc(C(=O)O)cc2)cc1 1083971252 SGLGABIAYHJGQY-UHFFFAOYSA-N 485.949 3.768 50 10 JHGE O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 1084072831 WWQFEZASLKEHSR-UHFFFAOYSA-N 490.900 3.733 50 10 JHGE COc1cc(C=NNC(=O)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1 1084473780 SMNRNUXPOQEOPM-UHFFFAOYSA-N 451.910 3.694 50 10 JHGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=S)Nc1ccc(C)c(C)c1 1135700822 XWAWPVRUSGVOAY-UHFFFAOYSA-N 450.358 3.665 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)c1cc(OC)ccc1Br)c1ccc(Cl)cc1F 1565000087 NVULPYPIVKQPEZ-MRXNPFEDSA-N 454.683 3.569 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)CCSc1ccc(F)cc1)c1ccc(Br)cc1 1683507662 GKXZVKXYKSDIOB-KRWDZBQOSA-N 450.333 3.775 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744397 WUASOOHQOGYLFU-UHFFFAOYSA-N 482.899 3.926 50 10 JHGE CCOC(=O)c1cc(OC(F)(F)F)c(CBr)nc1I 1848387827 YQAPIWQVOBAJBB-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712103 PPZBQOQMNQXWKR-QGZVFWFLSA-N 485.378 3.789 50 10 JHGE CC1(C[S@@](C)(=O)=NCC2(CBr)CCOCC2)CN(C(=O)OC(C)(C)C)C1 1877880334 CRLVYSIYKZPQAM-AREMUKBSSA-N 453.443 3.533 50 10 JHGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 1904653077 IAYMAOBHQIGACV-NSHDSACASA-N 450.283 3.931 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H]2C[C@@]1(CBr)CO2 2033587783 SPLCIGWTMHPBHL-KSBSHMNSSA-N 459.985 3.652 50 10 JHGE CC[C@]1(CBr)COCCN1c1ncc(I)cc1Br 2069525918 ODJYZFFLSOPCMO-LBPRGKRZSA-N 489.977 3.829 50 10 JHGE CN1CCC[C@H]([C@@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2089531118 KPIVJKGPAYIZFZ-NEPJUHHUSA-N 478.577 3.805 50 10 JHGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(I)ccc1O 2204561208 DZJFYAQOMWFWDO-LOHPEHISSA-N 450.114 3.679 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OC 2313545735 BMUDZTDYMPGNBC-UHFFFAOYSA-N 456.340 3.722 50 10 JHGE C[C@@H](NC(=O)C(C#N)=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1ccccc1 2314486696 BGJBUSYOMRYBAM-OAHLLOKOSA-N 477.502 3.853 50 10 JHGE CC(C)[C@@H](CBr)N(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2318872136 LGJCIMWUELGIDU-GOSISDBHSA-N 473.433 3.524 50 10 JHGE COc1ccc(Br)cc1C=NNC(=O)c1cccn(Cc2ccc(C)cc2)c1=O 2323647380 GEMIVLUKQGWUAX-UHFFFAOYSA-N 454.324 3.740 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCC[C@H](CBr)C1 2364196131 XAVXHRPXYGVIJS-ZWKOTPCHSA-N 499.471 3.964 50 10 JHGE CCOCCOc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 10216462 KTRPOYRQJWRPGW-UHFFFAOYSA-N 461.518 3.737 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1OC 14030877 MWJJWVZXFSTIML-FYWRMAATSA-N 491.569 3.632 50 10 JHGE COc1ccc(CNc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40753932 XVPWIYQBEMIIGZ-UHFFFAOYSA-N 463.325 3.508 50 10 JHGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCc1nc2ccccc2c(=O)n1C1CC1 105278900 QBEJKWURWIOTPF-UHFFFAOYSA-N 473.558 3.557 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(N3CCC[C@@H](C)C3)nc12 208181264 SIZQWQLEUZKCTJ-OSEFQUDUSA-N 455.562 3.505 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 746186091 XBBNXMZVXVXZJY-UHFFFAOYSA-N 450.900 3.980 50 10 JHGE CCOc1cc(C=NNC(=O)c2cccc(I)c2)cc(Br)c1O 1083965139 LYOUSBDRBBXYIR-UHFFFAOYSA-N 489.107 3.922 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)C1CCOCC1 1684188330 NHMUHJXSYWVVFP-JOCHJYFZSA-N 455.942 3.600 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c(C(C)(C)C)c1 1865852294 RRWKIMDADATLRW-MRXNPFEDSA-N 496.633 3.730 50 10 JHGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1ccc(CBr)cc1[N+](=O)[O-] 1913031389 YODVTYKJGOPPBB-UHFFFAOYSA-N 455.268 3.514 50 10 JHGE CC(C)(C)OC(=O)NCCCCc1ccc(NS(=O)(=O)CI)cc1 2007709979 RSOWBUHAOYRUGF-UHFFFAOYSA-N 468.357 3.668 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NC(=O)N1CCC(Br)CC1)C2 2162870438 FBKQLIXKAWTGER-DNOBIOAJSA-N 464.426 3.607 50 10 JHGE CN(C1(CCl)CC2(CCC2)C1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2164586080 KSMREEQBCMKGBS-UHFFFAOYSA-N 453.004 3.512 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCN(CCCBr)CC1 2169927962 LKUGSLDPMFDIJE-UHFFFAOYSA-N 469.015 3.754 50 10 JHGE C[C@@]1(C2CC2)CN(S(=O)(=O)c2c[nH]c(CBr)c2)CCN1Cc1ccccc1 2179867624 YNIOJRZQNANXTO-FQEVSTJZSA-N 452.418 3.585 50 10 JHGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(I)c(Cl)c1 2185318357 KLWWGORELQPKKS-GXSJLCMTSA-N 472.548 3.959 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185327389 WGXHHXKBABKLDO-GGZOMVNGSA-N 467.983 3.979 50 10 JHGE Cc1ccc(C(=O)N[C@H](CBr)C[C@@H]2CCCO2)cc1I 2232824109 VASOMBVAVDSFFQ-STQMWFEESA-N 452.130 3.662 50 10 JHGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NCCCCI)CC2 2243586369 OZPWYUWVNBVXAV-UHFFFAOYSA-N 456.390 3.843 50 10 JHGE CCN(CC)Cc1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 2325902895 XLAMOELZEDOMKF-KRWDZBQOSA-N 465.623 3.890 50 10 JHGE O=S(=O)(N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12)c1cc(Br)ccc1Br 2354928287 LMZRLERPDFODPB-YJBLWWEUSA-N 488.039 3.909 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC2(CC[C@H](CBr)O2)C1 2361883195 NCNQXBFHMLCKOD-SNVBAGLBSA-N 470.532 3.713 50 10 JHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl 12574803 WEMZTICYXAHHLR-UHFFFAOYSA-N 458.729 3.900 50 10 JHGE O=C(NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1cncc(Br)c1 15987774 ZQKDKPUKDQWJIB-UHFFFAOYSA-N 468.263 3.556 50 10 JHGE aggregator Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 17200659 HBDUFLYXTFQSJH-UHFFFAOYSA-N 486.503 3.851 50 10 JHGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40657445 LNFKDEPSLRUDQD-UHFFFAOYSA-N 476.280 3.514 50 10 JHGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccccc4OC)c3[N+](=O)[O-])sc2c1 40657600 IMXAQBGXTOJLBU-UHFFFAOYSA-N 467.467 3.512 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1 58893048 FCIFRDSZTQMNKV-ZMPUUUETSA-N 465.344 3.829 50 10 JHGE O=C(NNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1)c1cc(-c2ccco2)nc2ccccc12 107920537 YMGRUIWSEPOYGI-JOCHJYFZSA-N 460.534 3.827 50 10 JHGE CC1(C)CN(C(=O)c2cc(Br)ccc2I)C[C@H](CCl)O1 232792583 ZLMUPTFYRXVJOB-JTQLQIEISA-N 472.548 3.912 50 10 JHGE O=C(NN=Cc1c(O)ccc2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254486830 IBMISXZRXDNLOI-UHFFFAOYSA-N 452.470 3.887 50 10 JHGE BrCCc1cn(-c2cc(I)ccc2Br)nn1 300885267 ACVCLTFAQDQBLQ-UHFFFAOYSA-N 456.907 3.572 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)c(-c2ccccc2)n1 918640981 ADIXPCJWXCOXRX-YWFITGJYSA-N 457.456 3.941 50 10 JHGE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)CCOC 1157606202 JTRDYWWWHWOVNJ-JOCHJYFZSA-N 457.958 3.646 50 10 JHGE C=CC[C@@H](C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 1463737774 RRJNDVYLXYVQKC-QGZVFWFLSA-N 455.561 3.670 50 10 JHGE Cc1c(C#C[Si](C)(C)C)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 1887519681 HDGJRAUKSLBGQX-UHFFFAOYSA-N 483.449 3.942 50 10 JHGE COC[C@H](CCCNC(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 1985346454 CMLRIIAEBFCXAY-INIZCTEOSA-N 467.698 3.802 50 10 JHGE C[C@H](Br)[C@@H]1C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Br 2061894228 WHOTYKBRDSZUFP-HKPALBBZSA-N 462.001 3.662 50 10 JHGE C[C@@H](Cl)[C@H]1CN(C(=O)c2cc(Br)ccc2I)CCO1 2117535176 YABMLQUJQUNESG-PRHODGIISA-N 458.521 3.522 50 10 JHGE O=C(N[C@@H](CCl)C[C@@H]1CCOC1)c1ccc(I)c(Br)c1 2195497744 SDOOJDLEGRYRPT-GXSJLCMTSA-N 472.548 3.818 50 10 JHGE BrCc1c(OCCOCCOCCOCc2ccccc2)nc2sccn12 2236083026 SDIPRTGAWIEGJR-UHFFFAOYSA-N 455.374 3.920 50 10 JHGE Cc1c(C(=O)N[C@@H](CCBr)COCc2ccccc2)nn(C)c1Br 2303537590 GSUKYPFIHOCVLQ-AWEZNQCLSA-N 459.182 3.591 50 10 JHGE COC1CC2(CC(CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3I)C2)C1 2307608449 VGJWSXRCVDRRAF-BSGOTLCWSA-N 451.345 3.631 50 10 JHGE N#CC(=Cc1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 2313557201 WXRDSVIKAAEDHJ-UHFFFAOYSA-N 455.268 3.810 50 10 JHGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)N2CCC(Cc3ccccc3)CC2)c1 2318468109 JSJUFLWBCQBWCF-UHFFFAOYSA-N 461.518 3.560 50 10 JHGE C[C@@H](C(=O)NN=Cc1ccc(Br)cc1F)n1cnc2sc3c(c2c1=O)CCCC3 2325903021 YWAQVBSIHNKMIE-NSHDSACASA-N 477.359 3.950 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2336332674 YSFJUZNFKNBPCD-LBDPXKHJSA-N 456.324 3.854 50 10 JHGE Clc1ccc(CN2CCN3C[C@@H](Br)C[C@H]3C2)c(I)c1 2341052220 SBORZWMXBYSRCW-AAEUAGOBSA-N 455.565 3.598 50 10 JHGE Cc1cc(Br)cnc1C(=O)NCC(F)(F)C(F)(F)CI 2361674277 JZFRDUWJNVBZKB-UHFFFAOYSA-N 469.014 3.588 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@H]1C(C)(C)CBr 2364228165 JLIMRKSNRIJJAK-QMMMGPOBSA-N 472.019 3.971 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@H](CBr)C12CCC2 2379717861 KMQIUKZLVJPWIS-HTQZYQBOSA-N 470.003 3.629 50 10 JHGE COc1cc(C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc(OC)c1OC 12502522 AOHSYDVAJHMNAU-UHFFFAOYSA-N 479.967 3.530 50 10 JHGE COc1cc(OC)c(/C=N/NC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 12579757 XFSSINDVENOJSL-SSDVNMTOSA-N 468.735 3.989 50 10 JHGE O=C(Cc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14028077 CKDFGXZRQFKHLK-UHFFFAOYSA-N 453.951 3.797 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040612 ARNMSWUJFSPJLV-UHFFFAOYSA-N 492.528 3.551 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br 14770237 GNCWLYIJRKQKDM-UHFFFAOYSA-N 455.736 3.958 50 10 JHGE CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 28063622 JUQYODWCPWLHDX-HNAYVOBHSA-N 450.564 3.724 50 10 JHGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O 33411925 IEADANHQDPIVLP-VKAVYKQESA-N 466.925 3.898 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2ccc(OC)c(OC)c2)cc1 33564182 BVGLOOCMVZADEH-DJXGBFBFSA-N 471.579 3.743 50 10 JHGE O=C(NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40588825 YKNONUHKEUBPJQ-UHFFFAOYSA-N 463.332 3.812 50 10 JHGE COC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811729 JSJHNIKQTZRVNY-VOBMZTLLSA-N 462.344 3.586 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1cc(Cl)ccc1I 235287461 IZMJCZYENQNTDT-PSASIEDQSA-N 458.521 3.569 50 10 JHGE C[C@H]1CCC[C@](CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703967698 RIBBZFRKHWBPQL-BTYIYWSLSA-N 485.444 3.572 50 10 JHGE COc1cccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1O 725425189 DCXUYUYYVXAANS-UHFFFAOYSA-N 487.965 3.784 50 10 JHGE O=C(NNC(=O)c1cccc2cccnc12)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 731006007 UWDLUDXPLZXHHL-UHFFFAOYSA-N 477.258 3.832 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(OC)c(OC)c2)cc1)S(=O)(=O)c1ccccc1 1083920964 ZXYAXNPJZWRSFH-UHFFFAOYSA-N 479.558 3.849 50 10 JHGE CCOc1ccccc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 1084115989 AFZOAYUGMUSADN-UHFFFAOYSA-N 479.602 3.777 50 10 JHGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1Br 1084187048 QHFVARFCHPGLME-UHFFFAOYSA-N 457.240 3.706 50 10 JHGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1 1084287905 RNKDLHMXZUUVRI-UHFFFAOYSA-N 496.523 3.955 50 10 JHGE CC(=O)N[C@@](C)(C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C(C)C 1141361619 TUQFWAMJGZGYEJ-XMMPIXPASA-N 452.942 3.867 50 10 JHGE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccc(CBr)cc1 1260505818 QZFDJVYQYQZTPN-GDBMZVCRSA-N 461.422 3.895 50 10 JHGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNc2cc(C)ncn2)ccc1Cl 1457638556 OWPRSRMUSXBLTG-UHFFFAOYSA-N 457.943 3.577 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nc(C)c(Cc3ccccc3)s2)cc1 1467248477 QMENGYANVJWKGO-MRXNPFEDSA-N 452.536 3.865 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1)c1ccc(Cl)cc1 1470661921 CNJVQBAOIIERAZ-SJKOYZFVSA-N 450.720 3.575 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(F)cc3)cc2)cc1 1858666368 VYKCKNLVNXYOHY-UHFFFAOYSA-N 484.534 3.839 50 10 JHGE COc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858666496 CBUJYLRTZTYWAN-UHFFFAOYSA-N 496.570 3.709 50 10 JHGE CC(C)SCc1ccc(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)o1 1865852435 WHPUTFRBHAJNIP-UHFFFAOYSA-N 482.587 3.821 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCCC2(CCC2)[C@H]1Br 1924836600 NNZFQMBTNWKOOV-APWZRJJASA-N 497.455 3.716 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2cc(Br)c(Br)s2)C1 2046666472 AKRHBLUBXBPTCJ-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE CCOc1ccc(I)c(I)c1C(=O)CCl 2060131616 LFOPSPAOFJNSPW-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1(CBr)CCCCC1 2089708428 ZLXNGOKOUXOMOQ-UHFFFAOYSA-N 485.444 3.718 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NC(=O)[C@H](Br)C3CCCC3)CC2)C1 2176130424 SLMLLVUPKWFTGR-OAHLLOKOSA-N 463.438 3.966 50 10 JHGE COc1cc(CBr)ccc1S(=O)(=O)N(C)[C@H]1CC[C@H]1OCc1ccccc1 2179859069 XVZMMQPGCQUYNE-ZWKOTPCHSA-N 454.386 3.958 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H]3C[C@H]2[C@H]3CBr)cc1Br 2203020712 KCZLYRFCSRDHPH-PTRXPTGYSA-N 488.039 3.924 50 10 JHGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1ccc(Cl)c(I)c1 2283665143 LJUDCSQOXBKZAC-ONGXEEELSA-N 472.548 3.865 50 10 JHGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2C)cc(OCC)c1OCC 2313681612 JFMUWEQMJXICAU-UHFFFAOYSA-N 484.528 3.953 50 10 JHGE CC[C@@H](C[C@H](C)Br)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823241 ZBZGQDJELKDIHG-HOTGVXAUSA-N 473.433 3.715 50 10 JHGE N#CC(=CN1CCN(c2ccccn2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609849 VZZGPSXIDYGRIL-UHFFFAOYSA-N 492.627 3.545 50 10 JHGE C[C@@H](C(=O)NN=Cc1ccccc1Br)n1cnc2sc3c(c2c1=O)CCCC3 2325902838 NEHVJEVDXZZWCG-LBPRGKRZSA-N 459.369 3.811 50 10 JHGE C[C@@H](Br)CN1CCN(Cc2ccc(Cl)c(I)c2)CC1 2337227722 OGWSCFMXNRQNAA-LLVKDONJSA-N 457.581 3.846 50 10 JHGE CN(CCCBr)S(=O)(=O)N(C)Cc1c(Br)cccc1Br 2366218291 WYYFOJJVOJRLGT-UHFFFAOYSA-N 493.059 3.605 50 10 JHGE COc1ccc(C(=O)NN=C2C(=O)Nc3ccc(C)c(Br)c32)cc1Br 12579670 RYSFAPVUYASFQQ-UHFFFAOYSA-N 467.117 3.615 50 10 JHGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 14645646 ZDVIXWOZVNTCMX-UHFFFAOYSA-N 450.289 3.857 50 10 JHGE COc1ccc(/C(C)=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])cc1 33303775 CQYQLQUQIILSTN-LPYMAVHISA-N 472.299 3.765 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC 33690031 FQLCQTUAIGWOGT-GHXNOFRVSA-N 479.230 3.762 50 10 JHGE C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 59333069 OBFWVDSYVKJQJA-XMHGGMMESA-N 480.362 3.725 50 10 JHGE O=C(NNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)c1ccc(-c2ccc(F)cc2)s1 72020674 SWNFVRDBAGNTPX-QGZVFWFLSA-N 457.552 3.610 50 10 JHGE CN1C(=C(C#N)C(=O)CCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)N(C)c2ccccc21 108788035 COIIQWWDMYEMBF-UHFFFAOYSA-N 484.025 3.716 50 10 JHGE N#C/C(=C/N1CCCC[C@H]1CCO)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216508402 JELMGHWOTFLZQP-YRBSCUOSSA-N 458.606 3.565 50 10 JHGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCC)cc2)sc2c1CC[C@@H](C)C2 254713789 SGMWKDDFQRHHFD-CQSZACIVSA-N 457.552 3.537 50 10 JHGE CCOc1cc(C=NNC(=O)Cn2cnc3ccccc32)ccc1OCc1ccc(C(=O)OC)o1 254734680 IERHGEAORHORGS-UHFFFAOYSA-N 476.489 3.544 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cccc(Br)c3)c3ccccc32)cc1 1083975793 WZCMSUSLUCGOOK-UHFFFAOYSA-N 491.345 3.877 50 10 JHGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc2ccccc2c1 1084130635 IFVNTAMVASLZDZ-UHFFFAOYSA-N 467.953 3.863 50 10 JHGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)c3cc4c(s3)CCCCCC4)n[nH]2)c1C 1650648351 YODUUMFZAKBQKM-UHFFFAOYSA-N 452.584 3.871 50 10 JHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772744778 JMOYQSTZIHDNOJ-UHFFFAOYSA-N 491.456 3.972 50 10 JHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccccc1)CCC2 1772749071 GYEVBYCBZXHDBY-UHFFFAOYSA-N 489.528 3.887 50 10 JHGE CCCC[C@@H](NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(SC#N)cc1 1867289625 DWMLHDIZTCNKJU-QGZVFWFLSA-N 470.517 3.674 50 10 JHGE O=C(NCC=CCBr)c1ccc(Br)cc1I 1995286340 RSMHVNFTUQUYOP-UHFFFAOYSA-N 458.919 3.735 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)C(F)(F)C1 2034596639 VDRMYADWSQEPHO-VIFPVBQESA-N 494.899 3.908 50 10 JHGE CCOC1(CBr)CN(C(=O)c2cc(Br)c(Br)s2)C1 2052831271 HGGJHJCJFSHLPM-UHFFFAOYSA-N 462.001 3.899 50 10 JHGE O=S(=O)(c1ncc(I)cc1Br)[C@@H]1CCC[C@@H](Cl)C1 2069534886 AYDIZBYMFKMZOA-VXNVDRBHSA-N 464.550 3.772 50 10 JHGE Cc1cc(Br)ccc1S(=O)(=O)NC(C)(CBr)CBr 2085731928 PWQBDLWZGZFSBP-UHFFFAOYSA-N 464.017 3.584 50 10 JHGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2123242981 DBFVWHFAJKZQEH-IRXDYDNUSA-N 455.443 3.846 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2174306055 LZFAAXBQFHUVPG-QXEWZRGKSA-N 488.039 3.863 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N[C@@H]2C[P@@](C)(=O)C[C@H]2Br)c1Br 2177852692 XYPBDQMEKHDHNW-OOSSNNJISA-N 465.169 3.544 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCSC[C@H]2CCBr)c1 2232164664 FLLPHWUBCXYEOK-LLVKDONJSA-N 454.171 3.942 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2267591964 AUSIZBHTMMXNBR-UHFFFAOYSA-N 482.477 3.622 50 10 JHGE C[C@@H](Br)COCc1cn(Cc2cc(Cl)ccc2I)nn1 2295785510 RSSOMXUNUSEURQ-SECBINFHSA-N 470.536 3.884 50 10 JHGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)c1nn(CCO)c(N)c1C#N 2296738390 OHQZGUJSIYYOSQ-UHFFFAOYSA-N 464.323 3.735 50 10 JHGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1ccc(Br)cc1 2296837165 CZKYXMKVNCSRQR-SFHVURJKSA-N 472.364 3.630 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(Br)c1 2313861564 AQBNKGFVKWFFNQ-UHFFFAOYSA-N 476.327 3.894 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@H]4CCCO4)c(=O)oc3c2)cc1 2314751158 TWEAAMPTMUQRLQ-JOCHJYFZSA-N 488.496 3.613 50 10 JHGE C[C@](NC[C@@H]1C[C@H]1Br)(C(=O)O)c1cc(Br)c(Br)s1 2325284354 OTDOKVDZXJVWJZ-WGDKSQQYSA-N 462.001 3.946 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCC[C@H](Br)C1 2338836773 NGXVFJTXIMJNAL-SJORKVTESA-N 485.444 3.716 50 10 JHGE CC1(C)CC(CBr)(CN=[S@@](C)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 2345004992 SCJWTVAMHBIEHL-AREMUKBSSA-N 452.459 3.753 50 10 JHGE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2369432036 YWGFMULAJZWAIA-INIZCTEOSA-N 457.346 3.552 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1cc2ccccc2cc1O 12502379 MDKGTBOKFNEFBB-UHFFFAOYSA-N 464.330 3.567 50 10 JHGE O=C(CCc1nc(-c2ccsc2)no1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 15587144 ZAUOKCGPTCIPNK-UHFFFAOYSA-N 466.494 3.910 50 10 JHGE COc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)N(CC(=O)NN)C(=O)CO4)c2)cc1 19893972 CHWLYUAWVNHGPU-UHFFFAOYSA-N 498.514 3.946 50 10 JHGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)c(OC)c2)cc1OC 31902065 PXLSJLYOVKCVHV-UNOMPAQXSA-N 498.491 3.978 50 10 JHGE COc1cc(/C=N\NC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 32926508 BUXWZCFIFIAVDR-WGARJPEWSA-N 462.462 3.693 50 10 JHGE C/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccc(F)cc1 58991135 LYIJLDTXVWZPMX-CFRMEGHHSA-N 491.390 3.973 50 10 JHGE COc1ccc(CCC(=O)N/N=C2\C(=O)N(C/C=C/c3ccccc3)c3ccccc32)c(O)c1 59157067 KUFLQGQSMUZTFP-SYEMVBCKSA-N 455.514 3.914 50 10 JHGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 101340939 QRAIMRNLDRLHTQ-HZHRSRAPSA-N 466.497 3.695 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601490 HUJSHKJXRNRFOZ-NLRVBDNBSA-N 464.909 3.787 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1ccc(Br)cc1Br 235287988 OUHNEFHYIZUVKJ-PSASIEDQSA-N 455.972 3.836 50 10 JHGE O=S(=O)(N[C@@H]1CCOC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 706706138 VLYGXHYDDFRGRZ-OIBJUYFYSA-N 467.994 3.587 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2cccc(Cl)c2Cl)cc1 920853036 GMUVKWVPECNMSA-GZTJUZNOSA-N 498.370 3.964 50 10 JHGE COc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)CCCCl)c(OC)c1 1260051679 UQKLGIMNYYWKAP-UHFFFAOYSA-N 457.976 3.682 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(C(F)(F)F)cc3)c(=O)c2c1-c1ccccc1 1860769889 KOHKTUBZDGUCRZ-UHFFFAOYSA-N 486.475 3.913 50 10 JHGE C[C@H](C(=O)N/N=C\c1ccc(Br)cc1F)n1cnc2sc3c(c2c1=O)CCCC3 1860774475 YWAQVBSIHNKMIE-WMNNYHSGSA-N 477.359 3.950 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c(C)c1 1865852482 YSQQZYNNCJYSFM-KRWDZBQOSA-N 466.607 3.685 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H](F)[C@@H](Br)C1 2020427066 DDUWWXAOMZJCFX-IUCAKERBSA-N 476.909 3.611 50 10 JHGE CS(=O)(=O)c1ccc(-n2nc(CCl)c(I)c2C(F)(F)F)cc1 2079211929 FPBHIBWCQYIODH-UHFFFAOYSA-N 464.634 3.638 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H](F)[C@H](CBr)C1 2086139991 WOIKDXOKYRZTHD-GMSGAONNSA-N 490.936 3.859 50 10 JHGE CCN(C[C@@](C)(CI)OCC1CCN(C)CC1)C(=O)OC(C)(C)C 2214840123 AUHBDLBZNKIGAW-GOSISDBHSA-N 454.393 3.796 50 10 JHGE COC(=O)[C@H](I)CNCc1c(Br)sc2ccccc12 2224708650 HSVUUEPGVBYNST-SNVBAGLBSA-N 454.127 3.730 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](F)C[C@@H](Br)C1 2226316400 FGWGGFZWPDQOEJ-RKDXNWHRSA-N 479.991 3.708 50 10 JHGE CCN(C[C@](C)(CI)OC[C@@]1(C)CCCN1C)C(=O)OC(C)(C)C 2300065909 NONPYGLASNMCHA-MSOLQXFVSA-N 454.393 3.938 50 10 JHGE CCOc1ccccc1NC=C1C(=O)N(CCc2ccc(OC)c(OC)c2)C(=O)C(C#N)=C1C 2314579203 MLLFAPVVFYIESX-UHFFFAOYSA-N 461.518 3.850 50 10 JHGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)C(C)=C(C#N)C1=O 2314619109 ZUOHLPFVUIELFO-UHFFFAOYSA-N 468.513 3.787 50 10 JHGE COc1ccc(C=NNC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc1Br 2323647471 NSMYDNJYGCMKBJ-UHFFFAOYSA-N 454.324 3.740 50 10 JHGE C[C@@H](C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CCCC3 2325902790 DCRYDXNUFICHOR-NSHDSACASA-N 459.915 3.610 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2330879419 CPJWHESKWYGXOY-ZXFLCMHBSA-N 474.012 3.755 50 10 JHGE CN1CCC(CBr)(NC(=O)c2cc(Br)ccc2Br)CC1 2381138648 XGYSYWZBNIRWQQ-UHFFFAOYSA-N 469.015 3.801 50 10 JHGE COc1ccccc1/C=C\C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 33561823 AHRQZGVDXDSEBT-XFXZXTDPSA-N 461.356 3.995 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 38658376 JHSFWBSBTSOKMT-RUZDIDTESA-N 458.470 3.906 50 10 JHGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 66201489 LUMIEGAAYMRCAJ-QFIPXVFZSA-N 465.594 3.685 50 10 JHGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(OCC)cc1 101241797 XZYWCIGFNVWUNA-SSXUBFHHSA-N 451.523 3.953 50 10 JHGE CCOC(=O)c1ccc(N/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 209902332 YAQTWBCEXZKDNO-JWGURIENSA-N 489.528 3.628 50 10 JHGE CCCCCOc1ccc(/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 214424231 PRVANNCNJBAXIS-ZHZULCJRSA-N 454.523 3.810 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1ccc(Br)cc1Br 235594658 OUHNEFHYIZUVKJ-WCBMZHEXSA-N 455.972 3.836 50 10 JHGE O=C(CCCCCCCC(=O)NN=Cc1cccc([N+](=O)[O-])c1)NN=Cc1cccc([N+](=O)[O-])c1 245264248 CIQWUSLWDOZVAJ-UHFFFAOYSA-N 482.497 3.834 50 10 JHGE O=S(=O)(NCC1(CBr)CCOCC1)c1cc(Cl)c(Br)s1 700910365 IIIGEZNPBMKVPE-UHFFFAOYSA-N 467.632 3.634 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H](CCl)O1 721620321 OIRRYEYZQQKVGX-WCBMZHEXSA-N 458.521 3.522 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O 746183204 YNDNINSJCLSDSL-LLVKDONJSA-N 459.252 3.676 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1cc(OC)ccc1OC 1083911696 FGZLXPRKJWRWOV-UHFFFAOYSA-N 480.594 3.644 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1c(C)nn(C)c1C 1083967286 MLFWMGVDMNWZGP-UHFFFAOYSA-N 488.621 3.822 50 10 JHGE CCCOc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1084052418 OHWDXERZEVBAMW-UHFFFAOYSA-N 465.575 3.644 50 10 JHGE C=Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 1648393781 YFNQOKPKPXDXHN-UHFFFAOYSA-N 455.923 3.859 50 10 JHGE Cc1nc2scc(C)n2c1/C=N/NC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860773552 AKQNGFJBWGTFSG-AJBVKSIBSA-N 468.608 3.620 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865709175 PYXFGQOGBKFRHY-QGZVFWFLSA-N 470.407 3.904 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)[C@@H]2COC[C@H]21 2040594149 WDHRFKIZGXMKDL-APQOSEDMSA-N 459.985 3.507 50 10 JHGE O=S(=O)(c1ccc(CBr)s1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2123228897 GCXBLJXYUPWLFK-UHFFFAOYSA-N 465.385 3.785 50 10 JHGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123234187 MMYQIVGAWOICSU-ZWKOTPCHSA-N 455.443 3.786 50 10 JHGE O=C(NC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(F)(F)F)OCc1ccccc1 2162585812 BAKARVWORXOOSJ-KRWDZBQOSA-N 464.893 3.604 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2164657042 SRRPUINATNYSSR-SUZMYJTESA-N 450.114 3.775 50 10 JHGE CCCN1CC[C@@H]([C@H](Br)c2ccc(C)c(I)c2)S1(=O)=O 2232826049 JSPIASXCXYCPHJ-UONOGXRCSA-N 472.186 3.850 50 10 JHGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c(O)c2)cc1 2296734989 VLJOWOAPRMEBMF-UHFFFAOYSA-N 459.502 3.808 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OC 2313518644 NAQUAJCMVQPGIG-UHFFFAOYSA-N 462.287 3.922 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)c1ncc(CBr)s1 2316891056 CBVZBOJVYPYMAH-UHFFFAOYSA-N 459.005 3.933 50 10 JHGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3cccc(OC)c3)nc2C)cc1OC 2321126083 JQCFGHNAVFTLSU-UHFFFAOYSA-N 461.518 3.947 50 10 JHGE CCCOc1ccc([C@@H](CC(=O)O)NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)cc1OC 2329700290 JXJVYYHHDXWLDQ-LJQANCHMSA-N 468.506 3.740 50 10 JHGE CC[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2338833960 SEGIGIKJSQXNQH-IRXDYDNUSA-N 485.444 3.526 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NS(=O)(=O)c1ccc(CBr)cc1 2354689449 MLQRJEYRHULUDM-NXNVCVFFSA-N 459.406 3.552 50 10 JHGE CCOC(=O)[C@@H]1C[C@H](Br)[C@@H](OCc2cccc(I)c2)C1 2367354070 YNRJHMMAANWNBT-XBFCOCLRSA-N 453.114 3.913 50 10 JHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812344 TXRAKVQDJLMQER-MTDXEUNCSA-N 463.465 3.856 50 10 JHGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1cccc(C(F)(F)F)c1 103032979 UUXZWCDMNROHEF-QUWSGOTNSA-N 461.465 3.886 50 10 JHGE CC(CBr)(CBr)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl 231738465 QQTLZPQWHYBQDQ-UHFFFAOYSA-N 457.974 3.959 50 10 JHGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2c(Cl)cccc2Cl)CC1 727791757 UUPHIQSDMPWDBS-UHFFFAOYSA-N 463.365 3.718 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1 1083950109 BDHMCKZTYHEYLB-GOSISDBHSA-N 469.321 3.819 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(O)cc2Br)cc1 1084030684 XBRBGCYREOVHNC-GOSISDBHSA-N 465.344 3.916 50 10 JHGE C#CCOc1cc(Br)c(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 1084526541 ATMSISSJZMKEHL-FQEVSTJZSA-N 489.366 3.832 50 10 JHGE CCc1ccc(CCC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1865845907 YZXQKPYPZLWRII-UHFFFAOYSA-N 474.586 3.776 50 10 JHGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 1866213905 JLILWFDFWHIJCG-XMHGGMMESA-N 496.545 3.663 50 10 JHGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752695 OENUTPKRPXQUTJ-ICFOKQHNSA-N 476.426 3.536 50 10 JHGE Clc1ccc(I)cc1CO[C@@H]1COC[C@@H]1I 1904936720 QPSDJVSNFSZJHK-WDEREUQCSA-N 464.468 3.664 50 10 JHGE COc1ccc(CCNC(=O)C(C#N)=Cc2ccccc2I)cc1OC 2040446725 KQQZXNIBVGGION-UHFFFAOYSA-N 462.287 3.574 50 10 JHGE O=C(CBr)c1c(OC(F)(F)F)ccc([N+](=O)[O-])c1I 2055112029 DOXWEQKKTVYHJH-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE COc1nccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1F 2078930189 RRKGRNFGXFPMDT-UHFFFAOYSA-N 479.997 3.933 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1ccc(I)c(Cl)c1 2097944163 BKWMGJTVGQBVPH-NXEZZACHSA-N 458.521 3.617 50 10 JHGE CC(C)(C)OC(=O)Nc1nc(CNS(=O)(=O)c2ccc(CBr)cc2)cs1 2106299020 UBNLTMBFUXYCOD-UHFFFAOYSA-N 462.391 3.864 50 10 JHGE O=C(c1cc(I)sn1)N1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2120025381 JBYWYABSTOIPNY-KKZNHRDASA-N 455.159 3.916 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2139255086 NOBQMQULCIMVBO-LPEHRKFASA-N 455.159 3.773 50 10 JHGE O=C(c1cc(I)ccc1Br)N1[C@H](CCl)C[C@@H]2OCC[C@@H]21 2146698510 JYPVFCQPQKBKQB-XDTLVQLUSA-N 470.532 3.665 50 10 JHGE COc1cc(Br)c([C@@H](Br)c2nn(C)nc2Br)cc1OC 2235269372 MJRBOMNTZXEJDT-SNVBAGLBSA-N 469.959 3.842 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OC 2297324785 JPXNETMTCVSGAB-UHFFFAOYSA-N 450.232 3.560 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)c(Br)c1 2313621255 QKSPPTFJCJLTTD-UHFFFAOYSA-N 482.787 3.525 50 10 JHGE O=S1(=O)CC[C@H]([C@H](CCl)Cc2ccc(I)c(Br)c2)C1 2349856468 VUSWVXSBTULWRF-QWRGUYRKSA-N 477.589 3.886 50 10 JHGE CCN(C[C@](C)(CBr)O[C@H]1C[C@H](C)S(=O)(=O)[C@H](C)C1)C(=O)OC(C)(C)C 2352580293 QTCIZEPMTDIRBM-KRXQYRFLSA-N 456.443 3.768 50 10 JHGE C=CC[C@@]1(CCl)CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364190669 PIGCNZBPKLTTPL-QFIPXVFZSA-N 453.004 3.822 50 10 JHGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1c(C)cccc1C 14032976 RXPFMDCCUWLTEF-UHFFFAOYSA-N 457.596 3.977 50 10 JHGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 101335255 JHRXZHSKKDNUJH-HYARGMPZSA-N 496.523 3.549 50 10 JHGE COc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1O 250280328 JHUFKVJBFUBAKL-UHFFFAOYSA-N 480.318 3.782 50 10 JHGE COc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c(OC)c1 254292520 WBHBQLHVVROLCJ-UHFFFAOYSA-N 462.531 3.601 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2coc3ccccc3c2=O)cc1 263627532 KHMUMVIYSDIBGK-VVIWAWFJSA-N 467.481 3.723 50 10 JHGE N#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)N1CCN(c2ccccc2)CC1 1084326285 KKRQDKNRWFPGMF-NBVRZTHBSA-N 451.324 3.607 50 10 JHGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)NNC(=O)c1cc(Br)c[nH]1 1087991463 WPPWEIGOWNHECT-BQYQJAHWSA-N 476.762 3.767 50 10 JHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745939 LQBFXRHAXBJLHW-UHFFFAOYSA-N 494.935 3.552 50 10 JHGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1866128371 NJOIQFXJRQQMRH-RVDMUPIBSA-N 466.346 3.560 50 10 JHGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 1873795442 JQHAKAPJICVMRF-WGLQLPMYSA-N 468.554 3.704 50 10 JHGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Br)cnn1C 1915308090 LXQLVPRLKKESNV-HNNXBMFYSA-N 479.238 3.793 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC=C[C@H]1CBr 2007527373 USUMNOYKGMYNPG-VIFPVBQESA-N 470.930 3.829 50 10 JHGE CCOC(=O)c1cc(I)c(CCl)c(I)c1 2055330695 GCDZXIRRSWHKSZ-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCBr)c1ccccc1 2089697583 ANWPUACTWAKPST-UHFFFAOYSA-N 479.396 3.684 50 10 JHGE CCCN1CCC[C@H]([C@@H](Br)c2ccccc2I)S1(=O)=O 2145778309 PEIBEZPCVDLOOZ-KGLIPLIRSA-N 472.186 3.931 50 10 JHGE CCn1cc(S(=O)(=O)N(C)[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1CBr 2179786472 AVUZPBOHCRXRRZ-QFBILLFUSA-N 454.434 3.686 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1F)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188888908 WXCPXPPMSZSQQR-MJGOQNOKSA-N 453.377 3.616 50 10 JHGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)Cc1ncsc1Br 2213759685 QNJATYNBUNDDGT-ZDUSSCGKSA-N 498.262 3.648 50 10 JHGE C[C@@H](Br)[C@H](NC(=O)c1c(F)cccc1I)C(F)(F)F 2267676813 KPATZGGUWOTRJU-ANLVUFKYSA-N 453.999 3.874 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H](CBr)OCC12CC2 2283671620 YYJGRGVGXMRODW-SNVBAGLBSA-N 470.532 3.713 50 10 JHGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)cc([N+](=O)[O-])c2O)c([N+](=O)[O-])c1 2297578476 ZPRCTFTZGOARNX-UHFFFAOYSA-N 463.200 3.525 50 10 JHGE CC(C)(CI)CN1CCC[C@H](N(CC(F)F)C(=O)C(F)(F)F)C1 2306821284 NUWQTAOINYNZIT-JTQLQIEISA-N 456.237 3.568 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)c(Br)c1 2313864611 WMQVGLLMIJCXEF-UHFFFAOYSA-N 482.787 3.525 50 10 JHGE COc1ccc(CCN2C(=O)C(=CNc3ccc(C)c([N+](=O)[O-])c3)C(C)=C(C#N)C2=O)cc1OC 2314579188 LXPHCXBTYUJJDC-UHFFFAOYSA-N 476.489 3.668 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2323135039 APMLQRUEZPRMTR-BTYIYWSLSA-N 493.692 3.582 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CCC[C@H]1CC(Br)C2 2364017794 BWUYPZNMURFISE-IUCAKERBSA-N 470.003 3.866 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N(CCBr)C1CCOCC1 2381892404 PNQRAJLWUXMLJA-UHFFFAOYSA-N 472.548 3.961 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br 14661577 GUIWBZAAZJYMEG-UHFFFAOYSA-N 465.344 3.584 50 10 JHGE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NNC(=O)c1ccc(Cl)cc1 16202468 PWUFLULGHHSGOG-UHFFFAOYSA-N 464.831 3.805 50 10 JHGE C/C(=N/NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1cccc(OC(F)F)c1 33504674 DNVLZJQBCXLQAR-SAHIIKMKSA-N 465.522 3.538 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38683373 PBICPNIDVJUKFS-JOCHJYFZSA-N 471.425 3.819 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2F)nnc1-c1ccccc1Br 58989288 LPHQXMLEDAKHNB-FSJBWODESA-N 477.363 3.583 50 10 JHGE CCCCCn1nc(C(=O)NNC(=O)c2cnc(-c3cccs3)s2)c2ccccc2c1=O 110578979 YQJOETZLCRPIJE-UHFFFAOYSA-N 467.576 3.847 50 10 JHGE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207217791 XBFYQXSPJLUGSF-XLNRJJMWSA-N 478.545 3.788 50 10 JHGE O=C(NCCCI)c1scc(Br)c1Br 705405193 HHDUAIPYWRBSAH-UHFFFAOYSA-N 452.937 3.828 50 10 JHGE C#CCn1ccc(CN(CCOC)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)n1 1128569814 FHAMBTXTTQDTET-JWGURIENSA-N 459.525 3.645 50 10 JHGE CC(=O)c1ccc(-c2ccc(C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C)o2)cc1 1645573202 SJZPHHZWZGVVFE-UHFFFAOYSA-N 457.527 3.995 50 10 JHGE CCOC(=O)c1nc(CBr)cc(OC(F)(F)F)c1I 1848387582 FWJXKBNJHKBSIH-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)C(=O)COc1ccc(Br)cc1Br 1887829834 OKQVCJWDVVKKHS-SCZZXKLOSA-N 455.972 3.832 50 10 JHGE O=C(NC1(C(=O)NC[C@@H]2C[C@H]2Br)CC1)OCC1c2ccccc2-c2ccccc21 1890631371 RCOPGBIELRXCQW-VBKZILBWSA-N 455.352 3.957 50 10 JHGE O=C(c1ccccc1I)N1CCC(CI)CC1 1949203005 ZJENVXXTLTVOKM-UHFFFAOYSA-N 455.077 3.578 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)OC(C)(C)C 2013012109 BPMIJVLPDNMMDU-YESZJQIVSA-N 477.693 3.649 50 10 JHGE CC[C@@](C)(CCl)S(=O)(=O)c1ncc(I)cc1Br 2015768065 WDSPYCQMEIPSKE-JTQLQIEISA-N 452.539 3.630 50 10 JHGE CCOC(=O)c1c(I)cc(CBr)cc1I 2055238536 ZFZFVCIPNPYRCM-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE O=S(=O)(N[C@H]1CC[C@@H](Br)C1)c1cc(Br)ccc1Br 2057792927 OCGKDAOGYQGBLQ-APPZFPTMSA-N 462.001 3.806 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@@H]2CBr)cc1Br 2117657822 QSSRWJZRTOMRCV-RKDXNWHRSA-N 476.028 3.829 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(I)c(Br)c2)C[C@@H]1Cl 2130822048 KZQHFPZPKFCOCT-PTOFAABTSA-N 458.521 3.568 50 10 JHGE C[C@H](CBr)N1CCN(C(=O)c2cccc(Br)c2Br)CC1 2169366853 RGDIPCSYNXOVAG-SNVBAGLBSA-N 469.015 3.753 50 10 JHGE C[C@@H](Br)CN1CCN(C(=O)c2c(Br)cccc2Br)CC1 2170214214 RUKPUUNDIMGWBQ-SNVBAGLBSA-N 469.015 3.753 50 10 JHGE CN1CCC[C@@H](CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2214887229 UBRQWTUPNYIVHJ-CRAIPNDOSA-N 452.377 3.550 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2COC[C@]2(CBr)C1 2234579700 KPISOPBSCBKLBI-YGRLFVJLSA-N 467.983 3.695 50 10 JHGE COc1ccc([C@@H](Br)c2nn(C)nc2Br)c(OC)c1Br 2235271421 YZJSMPAKHRVDSI-MRVPVSSYSA-N 469.959 3.842 50 10 JHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1B(O)O 2268642912 HGAIDMSOZNOLDV-WXTAPIANSA-N 486.377 3.567 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 2277921906 VGUBYCICKLYBHA-XYYAHUGASA-N 451.984 3.853 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCC(Br)CC2)C[C@@H]1C(F)(F)F 2279227809 KSYVNKYDZPSWJE-CHWSQXEVSA-N 458.319 3.886 50 10 JHGE COC(=O)COc1cc(Br)c(C=C(C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC 2294284778 UUYOJVYTZAMQCY-UHFFFAOYSA-N 472.295 3.959 50 10 JHGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)NCc1ccccc1 2296543517 JOMVZLHSSDFMKH-UHFFFAOYSA-N 452.470 3.719 50 10 JHGE CCCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)NCc4ccccc4)cc3)nc2s1 2297350777 RUPJFEDPWCHRPB-UHFFFAOYSA-N 485.569 3.906 50 10 JHGE Cc1sc2nc(/C(C#N)=C/c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C 12530616 MHBWMKRBSFPYHA-AWNIVKPZSA-N 465.520 3.854 50 10 JHGE C[C@@]1(C(=O)NN=Cc2cc3c(cc2Br)OCO3)CC1(Br)Br 15895389 LQMNURGDJUYVGU-LBPRGKRZSA-N 482.954 3.524 50 10 JHGE COc1cc(OC)cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1 20288059 GCYMLNHKPQWXMJ-XQNSMLJCSA-N 474.492 3.802 50 10 JHGE COc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 48572269 XQQSKGXUWWIQEO-JVWAILMASA-N 469.501 3.645 50 10 JHGE COC(=O)/C(C#N)=C\c1cccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 206744396 MYLGGKXVYNPQTA-AQTBWJFISA-N 452.422 3.786 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccnc3)n2-c2ccc(C)cc2)cc1 254740542 UZOZFSNHYREXGD-UHFFFAOYSA-N 458.547 3.889 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCOC[C@@H]1CCCl 721623311 UVGLNSGAJYTXAO-JTQLQIEISA-N 458.521 3.524 50 10 JHGE O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 730768495 ADRNDYQZPRJOCO-BJKOFHAPSA-N 477.586 3.579 50 10 JHGE COc1cc(C(=O)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)cc(OC)c1OC 1083919571 ZVDSBCDCXBHEBH-UHFFFAOYSA-N 463.465 3.532 50 10 JHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(C)cc1 1083958282 PAPGZCFHWHALOR-UHFFFAOYSA-N 490.398 3.518 50 10 JHGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1 1618535851 OZCSKUIVIFPGOP-CQSZACIVSA-N 452.429 3.897 50 10 JHGE O=C(CCN1C(=O)c2ccccc2C1=O)NNc1ccc(OCCOc2cccc(Cl)c2)cc1 1858080477 HAQOWAQCXTZFPB-UHFFFAOYSA-N 479.920 3.927 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715227 ZSBNBFHTMXBZON-MRXNPFEDSA-N 475.358 3.921 50 10 JHGE CC[C@H](C)[C@H](CI)NC(=O)c1csc(I)c1 1993391528 WFOOZAVXYJHYNT-CBAPKCEASA-N 463.122 3.932 50 10 JHGE Oc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cc(F)n1 2078923464 BKNLFKGLUBYITB-UHFFFAOYSA-N 465.970 3.630 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)c1cc(Cl)ccc1I 2112713289 LYPIJOWPMIMKHO-ZDUSSCGKSA-N 458.521 3.571 50 10 JHGE C[C@@H](Br)CN1CCN(Cc2cc(Cl)ccc2I)CC1 2113856215 KZOVFINKINIIMZ-LLVKDONJSA-N 457.581 3.846 50 10 JHGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123243424 JLWFWXQSEBUCJY-CALCHBBNSA-N 455.443 3.704 50 10 JHGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)CCC(F)(F)CBr)C1 2123368712 DLWRKINZIBMLHF-UHFFFAOYSA-N 453.393 3.581 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC(Br)CC2)C(F)(F)CC1 2162592820 YEYVXDCUCIESFF-ZDUSSCGKSA-N 454.356 3.838 50 10 JHGE CN([C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(CBr)cc1 2163052610 FVRNCAKVJIKVRL-MRXNPFEDSA-N 461.422 3.992 50 10 JHGE O=S(=O)(c1occc1CBr)N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179825579 INRPVRHWVBJSCE-IEBWSBKVSA-N 453.402 3.707 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@@H]2COC[C@]2(CBr)C1 2226187309 WKCODXVJDMUNPP-KRTXAFLBSA-N 474.012 3.757 50 10 JHGE Cn1nc(Br)c([C@H](Br)c2cc(Br)cc3c2OCC3)n1 2226987120 OGSAJMINESHRCG-SECBINFHSA-N 451.944 3.759 50 10 JHGE O=S(=O)(Cc1ccsc1Br)N1CC[C@@H](C(F)(F)CBr)C1 2234499714 VJOSAMXYVXZFNZ-SECBINFHSA-N 453.168 3.693 50 10 JHGE COCCN(C[C@H](C)Br)C(=O)c1ccc(Cl)c(I)c1 2272440424 ZPBDBWIOGZISMR-VIFPVBQESA-N 460.537 3.817 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296380006 GSSJFYJUOHTKTE-SMDDNHRTSA-N 467.983 3.838 50 10 JHGE CC(C)[C@@H]1C[C@](NCC2CC(Br)C2)(C(=O)O)CN1C(=O)OCc1ccccc1 2324779236 JLXYZKVPKMXLOZ-JWYNLTDQSA-N 453.377 3.640 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2336332675 YSFJUZNFKNBPCD-LMPOIIKSSA-N 456.324 3.854 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@]12CCC[C@]1(CBr)C2 2364192194 YZMLOOQMIYUTGM-FGZHOGPDSA-N 497.455 3.718 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14007365 YYDCXXLMJFNOMM-LLVKDONJSA-N 458.729 3.980 50 10 JHGE COc1ccc(/C=C\C(=O)N/C(S)=N\NC(=O)COc2ccccc2-c2ccccc2)cc1OC 33725950 KKGAQVYANCEBEN-SQFISAMPSA-N 491.569 3.896 50 10 JHGE O=C(NNc1ncnc(NCCc2ccccc2)c1[N+](=O)[O-])c1ccc(Br)cc1 40610277 FQIHMJNXMSOSBU-UHFFFAOYSA-N 457.288 3.559 50 10 JHGE COc1cc(/C=N/NC(=O)COc2cccc(Br)c2)cc(Br)c1OC 40911961 ZOFHMHYVYMVHIH-AWQFTUOYSA-N 472.133 3.758 50 10 JHGE CCN1C(=O)C(=NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)c2ccccc21 254713484 DGMOQUZZNMIYNX-UHFFFAOYSA-N 476.558 3.605 50 10 JHGE CCN(CCOCCBr)c1ncc(C(F)(F)F)cc1I 686111682 SBCQABUONRUTDQ-UHFFFAOYSA-N 467.067 3.943 50 10 JHGE CSc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084375915 VEAUGQOSIPULKL-UHFFFAOYSA-N 453.589 3.750 50 10 JHGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)c2cccc(Br)c2)c1 1311140177 SGZGVBKHOPSCAI-UHFFFAOYSA-N 455.106 3.881 50 10 JHGE O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1C[C@@H](Br)[C@H](Br)C1 1884979724 FYOGMQKMQPNGGM-PHDIDXHHSA-N 455.958 3.664 50 10 JHGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 1904653766 PMQPLGPHWLLNGE-LLVKDONJSA-N 450.283 3.931 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCCC2)C[C@@H]1CCl 1912778752 FZBVRTDLDWLKSR-MRXNPFEDSA-N 453.004 3.512 50 10 JHGE O=C(NCC1(F)CCN(C(=O)OCc2ccccc2)CC1)N1CCC(Br)CC1 2044261829 JFKZPNJQSQPDBC-UHFFFAOYSA-N 456.356 3.696 50 10 JHGE CCOC(=O)c1cc(I)c(I)c(CCl)c1 2055329172 POAMHTZBVXQWDO-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1csc(Br)c1Br 2072947334 MWHRKDUARORXHE-XPUUQOCRSA-N 462.001 3.803 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2143976581 NTZMLLDZAHXVSL-NRUUGDAUSA-N 450.114 3.775 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146694340 QPEQRTCMNXKFCI-BIMULSAOSA-N 470.532 3.712 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)Cc2ccc(CBr)cc2)C1 2179787593 QZVUVBUFJOQJFT-SFHVURJKSA-N 451.430 3.865 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NS(=O)(=O)c3ccc(CBr)cc3)C[C@H]21 2202030878 MLEIPQUSPRGJLW-XJNFMUPTSA-N 459.406 3.552 50 10 JHGE C=CC[C@]1(CBr)CCCN1C(=O)c1cc(I)ccc1O 2287795573 ZQMWEYGUECUGRA-OAHLLOKOSA-N 450.114 3.943 50 10 JHGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 2313616885 KFURNWMJPDDGSF-UHFFFAOYSA-N 458.543 3.537 50 10 JHGE CC[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)[C@H](Br)CC 2316821664 IFLSWJDHCYZTQE-MSOLQXFVSA-N 473.433 3.715 50 10 JHGE ClCc1nnc(CNCc2ccc(I)c(Br)c2)s1 2325206140 BNHNYXZJEXZXAQ-UHFFFAOYSA-N 458.550 3.934 50 10 JHGE CC(C)c1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325893165 APWSRDIDAFTHNH-MRXNPFEDSA-N 464.591 3.567 50 10 JHGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC 2331333992 VJIQVGZECMEFQQ-UHFFFAOYSA-N 495.513 3.787 50 10 JHGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2364230229 JUVBYQRLXUBYAD-IUCAKERBSA-N 472.019 3.971 50 10 JHGE COc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1CSc1ccccn1 20258668 HKWQOZOGUDZBCU-ZMOGYAJESA-N 452.492 3.820 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 38654518 ZSHLMIQRWLXGES-DEOSSOPVSA-N 473.441 3.806 50 10 JHGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2)c1 254856443 QEWRAMMKTSENME-UHFFFAOYSA-N 485.525 3.822 50 10 JHGE COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)N(CC(=O)NN)C(=O)CO4)n2)cc1 725328729 JQYQMJIRIDKZAD-UHFFFAOYSA-N 480.524 3.807 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(-c2ccccc2)n1 914462211 BWPQGRJNZDBSNH-FGSNJIQSSA-N 498.562 3.700 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)[C@H](C)Sc3ccccn3)cc2)cc1 1084118427 DWGGJNZUXIYEDB-KRWDZBQOSA-N 455.561 3.789 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OC)c([N+](=O)[O-])c2)cc1 1084323640 SPMODNWXBGCEBQ-GOSISDBHSA-N 480.315 3.729 50 10 JHGE COc1cc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)ccc1[N+](=O)[O-] 1614630735 MGHPCIRSNDYPAG-STQMWFEESA-N 462.284 3.989 50 10 JHGE COC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743708 JSJHNIKQTZRVNY-GFCCVEGCSA-N 462.344 3.586 50 10 JHGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(Cl)nn2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867274387 YBLGLRAOVOZFSR-FQEVSTJZSA-N 495.948 3.608 50 10 JHGE CCOCCOCCO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2010594119 GCVDIRPUDKKMPX-QGZVFWFLSA-N 459.365 3.507 50 10 JHGE CCOC(=O)c1cc(I)cc(I)c1CCl 2055321698 PKICTQVKQABITE-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE CCC[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2140772551 WOATVSWXPZKFNF-IRXDYDNUSA-N 485.444 3.526 50 10 JHGE O=C(N[C@@H](CBr)CC1CCOCC1)c1ccc(I)cc1 2195483865 QUXCIXPOAJRMBY-CQSZACIVSA-N 452.130 3.601 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CCO[C@@]2(CCl)C1 2239904576 RAKMIGFOLOYWKS-OTYXRUKQSA-N 470.532 3.524 50 10 JHGE CCN(CC)C(=O)CN1C(=O)C(=C(C#N)c2nc3ccccc3[nH]2)c2cc(Br)ccc21 2293311762 NVTDMKHYBKHALE-UHFFFAOYSA-N 478.350 3.975 50 10 JHGE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2322965145 DGFXOKJKXACBMV-VFNWGFHPSA-N 493.692 3.725 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 14030130 YKNZHIUYCZESPB-UHFFFAOYSA-N 470.378 3.887 50 10 JHGE CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCN(C(=O)[C@H](C)Cl)CC1 23305806 XGQLSBVWNCTWMD-NSHDSACASA-N 459.761 3.779 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c(OC)c1 38688443 ISKQNQRYMJKTHK-LOSJGSFVSA-N 486.480 3.667 50 10 JHGE CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 59464065 DLUUJFCTLRYZTK-YZSQISJMSA-N 465.575 3.644 50 10 JHGE CS(=O)(=O)N(CC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc2c3c(cccc13)CC2 59464105 VOQYUZIZMUMYFJ-OPEKNORGSA-N 492.384 3.867 50 10 JHGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\NCCc2cccc(Br)c2)cc1OC 217175623 CYJNKSIDLKQWNH-SULWINFOSA-N 458.356 3.883 50 10 JHGE C=CCc1cccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(OCC)cc2)c1O 254622345 JFQOIYNKGUBPCS-UHFFFAOYSA-N 486.528 3.861 50 10 JHGE C[C@H](NC(=O)c1ccc(I)c(Br)c1)[C@@H](C)Br 721592156 FNDOVGDHOLFYHU-RQJHMYQMSA-N 460.935 3.955 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1 761399709 BUSNTDPPBHZWHO-YAJBTMAUSA-N 474.908 3.990 50 10 JHGE CCOC(=O)N1CCC(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 914439033 FPOFLVMJPOROBZ-NBVRZTHBSA-N 480.956 3.761 50 10 JHGE C=CCn1c(Cl)c(C=NNC(=O)c2cc(C)oc2C)sc1=NS(=O)(=O)c1cccs1 915906578 WBFSRVNYBAZAEP-UHFFFAOYSA-N 485.012 3.714 50 10 JHGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC(=O)O 1084062784 FQVARHLNFGPHDJ-CJLVFECKSA-N 475.545 3.533 50 10 JHGE O=C(CCc1ccc2c(c1)OCO2)NN=Cc1cc(Br)cc(Br)c1O 1084141266 WPOUFCQILJQRDI-UHFFFAOYSA-N 470.117 3.729 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1 1084474360 VDMDKNZTZRCUOZ-LJQANCHMSA-N 478.929 3.565 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N(C)C)c(C(F)(F)F)c2)cc1 1206403611 JOPHEUPVZYHALK-CYBMUJFWSA-N 452.433 3.594 50 10 JHGE C#Cc1cccc(N(CC(=O)NC)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 1434929119 QCZJQHUQIMMIGE-JCMHNJIXSA-N 454.505 3.901 50 10 JHGE C[C@@H](C(=O)NNC(=O)c1cc(Cl)cc(Cl)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860771989 NSPXASMJFFSECK-JTQLQIEISA-N 465.362 3.666 50 10 JHGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 1865759552 GLMZBYLTRXPFHS-ZDUSSCGKSA-N 497.338 3.810 50 10 JHGE CC[C@H](NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867105166 DTOUHSXKMLGNJO-SFHVURJKSA-N 467.526 3.955 50 10 JHGE C[C@H](Br)[C@@H](NC(=O)c1ccc(F)cc1I)C(F)(F)F 1882650440 CBXNYZLYXBJFQV-SSDLBLMSSA-N 453.999 3.874 50 10 JHGE C[C@@H](Br)CN1CCN(C(=O)c2cc(Br)sc2Br)CC1 2113854419 QSPHKUIIWUERPR-MRVPVSSYSA-N 475.044 3.814 50 10 JHGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123234185 MMYQIVGAWOICSU-QZTJIDSGSA-N 455.443 3.786 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CCl)C[C@@H]2OCC[C@H]21 2146685872 QRYARMLTLJXXCC-BIMULSAOSA-N 470.532 3.665 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCN2C[C@@H](Br)C[C@H]2C1 2150493005 HNBDOWZDYZYFKG-UWVGGRQHSA-N 466.999 3.505 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCCOCCCBr)cc1Br 2160295777 UBCWCXKOHQZXFS-UHFFFAOYSA-N 494.043 3.600 50 10 JHGE CC(C)(C)OC(=O)N1CCCCN(C(=O)N2CCC(Br)CC2)CC(F)(F)C1 2164879758 JEUKAFMFHBSAMI-UHFFFAOYSA-N 454.356 3.934 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H](CCBr)O1 2179375970 RKDGDDRKWLODLM-KOLCDFICSA-N 472.548 3.959 50 10 JHGE BrCCc1cn(-c2ccc(Br)cc2I)nn1 2212573908 GUZAJYUUOHIKFG-UHFFFAOYSA-N 456.907 3.572 50 10 JHGE CN(C(=O)c1c(F)cccc1I)[C@H](CCBr)C(F)F 2267667385 CMKHBUAGAFSNNG-SECBINFHSA-N 450.036 3.921 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296369460 LBXWZCPCPJHMQZ-SMDDNHRTSA-N 467.983 3.838 50 10 JHGE C[C@@H](Br)[C@@H]1C[C@H]1NC(=O)c1ccc(Br)cc1I 2297878669 XTAGXZDBIKIPHO-OUAIYISWSA-N 472.946 3.955 50 10 JHGE Clc1ccc(I)cc1CNCCOCCCI 2307331398 FGTYEBDPOIFECH-UHFFFAOYSA-N 479.527 3.876 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2328828076 JDDKBYQMGVEPCB-FQEVSTJZSA-N 455.486 3.895 50 10 JHGE COCCN1C[C@@H](Br)[C@@H](Cc2ccc(Cl)cc2I)C1 2341059723 NSWLLROFWINCQV-WCQYABFASA-N 458.565 3.829 50 10 JHGE C=CC[C@@]1(CBr)CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364206697 VFZSZRCOVZYVMN-QFIPXVFZSA-N 497.455 3.978 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2CCO[C@@]2(CBr)C1 2365590224 DQEABSGPLJIKDP-OTYXRUKQSA-N 470.532 3.571 50 10 JHGE COc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 9695872 JXPOZQJCHUUQAW-SECBINFHSA-N 462.127 3.993 50 10 JHGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 10471857 UNZUDSLXELQEAJ-GFCCVEGCSA-N 470.378 3.884 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 14030160 OLHCRENPODCIQY-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 14039057 RSOACCYJNIFQHG-LBPRGKRZSA-N 470.378 3.884 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1Br 14041431 ZVQOTIZRLCPFQY-UHFFFAOYSA-N 478.412 3.896 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 14770369 DHCVPVYDUIFIDW-UHFFFAOYSA-N 468.735 3.681 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)Cn1ccc2ccccc21 14775940 CXPUSKVQJSLGPN-UHFFFAOYSA-N 452.308 3.783 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(Br)cc2)cc1COc1ccccc1C(N)=O 32578344 OAFCDSPSOCEMML-UHFFFAOYSA-N 482.334 3.900 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814248 XZDSKKQJLQWBRJ-VUTHCHCSSA-N 475.524 3.555 50 10 JHGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 206828147 YLMIYBMPUUFWPO-LCYFTJDESA-N 455.580 3.631 50 10 JHGE COc1ccc(C=NNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 254751153 KIMWIFKECPXGRM-UHFFFAOYSA-N 451.548 3.658 50 10 JHGE C[C@@H](CCl)CS(=O)(=O)Nc1ccc(Br)c(I)c1 304201595 NMCHAVWDTLLLKJ-ZETCQYMHSA-N 452.539 3.670 50 10 JHGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N1CCN(Cc2ccccc2)CC1 394068455 NOIOXDOJUUPFAQ-UHFFFAOYSA-N 461.784 3.834 50 10 JHGE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727951113 QJOKHJPGOUOYAB-DEOSSOPVSA-N 475.520 3.702 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2F)cc1)Nc1cccc(Cl)c1 1084137269 COPKEMREKODCID-UHFFFAOYSA-N 468.872 3.585 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1 1084600512 HBHWPFOTESLGJX-UHFFFAOYSA-N 471.966 3.835 50 10 JHGE Cc1ccccc1-c1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962097 PNSNYUPOEHCHOI-DHIUTWEWSA-N 497.599 3.792 50 10 JHGE O=C=Nc1cc(I)c(I)c(OC(F)(F)F)c1 2060032130 KAXCDZKKCMFHCV-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE O=C(CBr)c1cc(I)c(I)cc1S 2060155185 MDJLZJCWZZJZDB-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE Brc1cc(I)cnc1N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2069531252 GDGLTAXUMUNLCL-BKDNQFJXSA-N 487.961 3.580 50 10 JHGE O=C(N[C@H]1CCOC[C@H]1CBr)c1scc(Br)c1Br 2072942734 BLYPBALCEGGVAI-SVRRBLITSA-N 462.001 3.803 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCSC[C@H]1CCl 2086148612 DBQHQUJIVQGCLQ-SECBINFHSA-N 460.562 3.850 50 10 JHGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)s1 2123242304 UWFNZEFPLFVDCZ-KRWDZBQOSA-N 457.459 3.971 50 10 JHGE CCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2163054484 XRHTUYWRDFPZHN-INIZCTEOSA-N 461.422 3.992 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)CCC(F)(F)CBr)C2 2179949577 XUBTXCLDMLBYBR-QZTJIDSGSA-N 465.404 3.581 50 10 JHGE Cc1ccc2[nH]c(C(=O)O)c(C=NNC(=O)COc3ccc(C(=O)NC4CCCCC4)cc3)c2c1 2321698238 VZOWRODMDOJKDO-UHFFFAOYSA-N 476.533 3.766 50 10 JHGE C[C@@H](C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325903310 WJYZEKBADBJUKW-NEPJUHHUSA-N 473.942 3.856 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1CCC(CBr)CC1 2338837738 SIYDQRXFDSARJK-UHFFFAOYSA-N 485.444 3.716 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)c1nscc1Br 2346721152 KQRKUQWMCITXBL-OAHLLOKOSA-N 486.479 3.701 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NCC1CCC(CBr)CC1 2364017445 KYNHWPFLGQQVGB-UHFFFAOYSA-N 472.019 3.876 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2364017604 LOVYJKJYLOTTSN-CIUDSAMLSA-N 470.003 3.723 50 10 JHGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)/C(C#N)=C3/Nc4ccccc4N3C)cc2)C1 9369241 LYMLIPMOFSVQMS-XLXLJDDRSA-N 450.564 3.833 50 10 JHGE O=C(CS(=O)(=O)c1ccc(Cl)cc1)NNc1nc2c(Br)cccc2s1 10045942 NWJXTSCEMXYVDH-UHFFFAOYSA-N 460.762 3.629 50 10 JHGE Cc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 12483713 FPTJNXVUDOCCDG-UHFFFAOYSA-N 456.134 3.668 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 12488519 PERKESUBOCURJP-UHFFFAOYSA-N 482.762 3.664 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)cc1 58892622 KJGLRROEWLWATR-SLCIXIPPSA-N 451.317 3.526 50 10 JHGE COc1cc(C=NNC(=O)CNC(=O)c2cccc(C)c2)ccc1OC(=O)/C=C/c1ccccc1 254304039 QQEKRWRTLKRMTO-JCHBSNHJSA-N 471.513 3.503 50 10 JHGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cccc(O)c2O)C1 382727675 RPFNHEOAGTZLDK-GDBMZVCRSA-N 453.276 3.885 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2cc(Br)c(Br)s2)C1 386894652 YELCPPZHSHWBHU-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CCOc2ccccc2)(c2ccccc2)CC1 727151944 PYYVHHDAIFXFFA-UHFFFAOYSA-N 467.566 3.572 50 10 JHGE CC1(C)CN([C@@H](CNC(=O)NNC(=O)c2cccc3cccnc23)c2ccc(Cl)cc2)CCO1 728951708 FKNPUERZRANTPX-NRFANRHFSA-N 481.984 3.684 50 10 JHGE CCCCCC(=O)NC1CCN(C(=O)NNC(=O)c2ccc(Br)cc2Cl)CC1 728954409 DTHFXTGNBNCNNZ-UHFFFAOYSA-N 473.799 3.618 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)O[C@@H](C)c2cccc(F)c2)cc1 918948862 DMWQLCHBSPSCKD-QUYZQLMHSA-N 462.481 3.785 50 10 JHGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)OCCOc1ccccc1 1858689816 ZZPQNMFPZOJCCF-UHFFFAOYSA-N 453.407 3.602 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2O)cc1 1865683596 FUSBBEYFFSQFQC-INIZCTEOSA-N 458.396 3.832 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712117 PUBARLMAVCLZFC-SFHVURJKSA-N 499.405 3.848 50 10 JHGE O=C(N[C@H]1CCOC[C@H]1CBr)c1c(Br)cccc1Br 1878695609 JOEPPYNWOODDPK-KCJUWKMLSA-N 455.972 3.741 50 10 JHGE Clc1ccc(CO[C@H]2COC[C@@H]2I)c(I)c1 1901597253 STFNHUMNEPJQNF-QWRGUYRKSA-N 464.468 3.664 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C(CBr)[C@H]2C1 2030275681 RUTQAVBVAAGALO-GHMZBOCLSA-N 484.957 3.767 50 10 JHGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1cc(Br)c(Br)s1 2039821701 MLLMGBWIFPAVPP-NKWVEPMBSA-N 462.001 3.803 50 10 JHGE C[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@H](CBr)O1 2094088863 PUFMZTAVTOAKJC-IUCAKERBSA-N 455.972 3.836 50 10 JHGE CO[C@H]1C[C@H](Cl)CN(C(=O)c2ccc(I)c(Br)c2)C1 2109023880 ZUKKMTDROOFQPY-UWVGGRQHSA-N 458.521 3.522 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2c(Br)cccc2Br)C[C@H]1Br 2130816855 HXNCFDJWFLORMW-WHGOUJPWSA-N 455.972 3.882 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC(OCCCBr)C1 2141948777 HLFSEXAQVKPPHU-UHFFFAOYSA-N 458.521 3.571 50 10 JHGE C[C@H](NC(=O)OC(C)(C)C)c1cccc(NS(=O)(=O)N2CCC(Br)CC2)c1 2162589392 PZTVSUZJCDIPFT-ZDUSSCGKSA-N 462.410 3.788 50 10 JHGE CN([C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1ccc(CBr)o1 2179870824 RJPOFMDBLVXXIA-BCDXTJNWSA-N 453.402 3.991 50 10 JHGE Cc1ccc(C(=O)N2CCSC[C@H]2CCBr)cc1I 2224629137 PIVGNFOSOZSVCX-GFCCVEGCSA-N 454.171 3.942 50 10 JHGE CC(C)(C)OC(=O)N(Cc1ccccc1)C1(COc2ccc(B(O)O)c(C(F)(F)F)n2)CCC1 2240320210 FPNVNAXIXCNEFW-UHFFFAOYSA-N 480.292 3.519 50 10 JHGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)C(=Cc1ccco1)NC(=O)c1ccc(Br)cc1 2296405747 TYGRRWBFUXRXCI-UHFFFAOYSA-N 483.278 3.872 50 10 JHGE COc1cc(OC)c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313545904 NFMIXTYSNRFGPM-UHFFFAOYSA-N 456.340 3.722 50 10 JHGE COc1ccccc1-c1ccc(C(=O)NN=C(C)c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)c(C)n1 2321282962 HEWFKXUIZOHMOA-KRWDZBQOSA-N 458.518 3.963 50 10 JHGE O=S(=O)(Cc1ccsc1Br)NCC(F)(F)C(F)(F)CBr 2361682913 APDUDVGJBBHUNF-UHFFFAOYSA-N 463.110 3.596 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2cc3ccccc3cc2O)cc1Br 12572987 NBKDKIASKZZOFH-UHFFFAOYSA-N 458.337 3.566 50 10 JHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14662624 ILOAEKTXJKMDPD-UHFFFAOYSA-N 492.370 3.534 50 10 JHGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3F)c(C)c21 101593997 CFVDYZCEDCDLTM-ZXVVBBHZSA-N 462.481 3.581 50 10 JHGE Nc1cc(N)cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382732875 VKMGEVHMGOGXSX-CRAIPNDOSA-N 451.308 3.638 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)CCC2CCCCC2)cc1 725745065 HLCDITWWCAAVQM-LTGZKZEYSA-N 463.582 3.770 50 10 JHGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1083918945 UVMVGNIBYFZBOT-UHFFFAOYSA-N 469.538 3.878 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1C 1084096048 XLMMXCCQYIRMSJ-UHFFFAOYSA-N 485.316 3.689 50 10 JHGE CC(=NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 1565518042 YTAIATGWDUTRQT-IHLPPEEMSA-N 472.457 3.635 50 10 JHGE C=CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=NNC(=O)Cc1ccccc1 1772718958 YGUSHODXFHEKLZ-BNKCDGJYSA-N 497.374 3.504 50 10 JHGE CC(C)c1nnc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)s1 1858693547 QIYQDRCTDTUGAT-UHFFFAOYSA-N 458.456 3.593 50 10 JHGE Cc1cc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)n[nH]1 1866835342 LBSNIIWRTZKNQB-HXUWFJFHSA-N 451.577 3.962 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NCC2(CBr)CCOCC2)C1 1877590691 WQFQJSIEFKRLSM-USBFQFRLSA-N 453.443 3.579 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 1910143005 KTCWXXGJPOAATQ-ZNMIVQPWSA-N 451.283 3.866 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N[C@H](CI)C(C)C)c1Br 2027395455 NOKPYWSHOFTMGA-SECBINFHSA-N 466.204 3.865 50 10 JHGE O=C(NNc1ccc(Br)nn1)Nc1cccc(Oc2ncc(Br)cn2)c1 2080459408 ZPUMQPSBFWEVFY-UHFFFAOYSA-N 481.108 3.733 50 10 JHGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123232919 XJVBJIGUYBCGNQ-IAGOWNOFSA-N 455.443 3.786 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cccc(Br)c2Br)C[C@@H]1Br 2130816065 DBGIFYLILZHYPI-BKDNQFJXSA-N 455.972 3.882 50 10 JHGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NC(=O)[C@@H](Br)C2CCCC2)C(C)(C)C1 2132805250 UPPKIRWPUFAVAZ-RMKBEBRYSA-N 451.427 3.964 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC(OCCCCl)C1 2141975918 LFOOOMQAJXYDIH-UHFFFAOYSA-N 458.521 3.524 50 10 JHGE CCN1CCC[C@@H]([C@@H](Br)c2ccc(F)cc2I)S1(=O)=O 2145758585 JJKZJIZQTWZALZ-STQMWFEESA-N 476.149 3.680 50 10 JHGE CN(C[C@H](Br)C1CCCCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2167654893 BDNULKMKHLNXOY-IBGZPJMESA-N 499.471 3.914 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@]1(F)CC[C@H](CCl)CC1 2178584474 IFTGSXWXVYDCAY-OQIWPSSASA-N 458.983 3.510 50 10 JHGE O=S(=O)(C1CCC(CBr)CC1)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179829793 FASTZGANQJZNIX-PXMFUHLKSA-N 455.462 3.724 50 10 JHGE CC1([C@@H](Br)Cc2cc(Br)cc(Br)c2)CS(=O)(=O)C1 2263518985 MDTKOSSKGTZBQS-NSHDSACASA-N 461.013 3.952 50 10 JHGE CCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 2314736325 FJIDDIXXFTVPTO-UHFFFAOYSA-N 463.519 3.612 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@@H](Br)C1(C)C 2338690754 KRZWZGSRQCLALU-SSDOTTSWSA-N 457.992 3.723 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)CCC12CC2 2338834371 WPLYPFITLXBFPN-MRXNPFEDSA-N 483.428 3.565 50 10 JHGE COc1cc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)ccc1OCc1ccccc1 19849303 ZMDVGUFWWZCNHO-UHFFFAOYSA-N 472.589 3.542 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NNC(=O)c1ccccc1 59811034 MZOZSBAGVUFUQN-UHFFFAOYSA-N 472.574 3.783 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCO)C(=O)C(C#N)=C2C)c(C)c1 95951248 JRRNPMUYZQIACB-IWIPYMOSSA-N 482.540 3.831 50 10 JHGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1OC 206244631 ICEFFHDBFXJPEQ-VBKFSLOCSA-N 484.559 3.897 50 10 JHGE COc1cccc(C(C)=NNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 254384573 WSGGKSZKIKJWCP-UHFFFAOYSA-N 468.491 3.558 50 10 JHGE COc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254522292 SLSZWQFENWVVJB-UHFFFAOYSA-N 477.473 3.969 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(C)c3)cc2OC)cc1 254837277 TXLMQGDTNDTMQB-UHFFFAOYSA-N 475.501 3.710 50 10 JHGE C[C@H](Br)c1cn(CC(=O)Nc2ccc(Br)cc2Br)nn1 313333084 LOCJLPVASSXNRR-ZETCQYMHSA-N 466.959 3.898 50 10 JHGE Nc1cc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1O 382732223 VCLBGFBGZDLSRH-HZPDHXFCSA-N 452.292 3.762 50 10 JHGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1O 1083888125 MEKUKFCLWDZJLK-UHFFFAOYSA-N 454.708 3.604 50 10 JHGE C=C(C)C[C@@H](NC(C)=O)C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1463940413 IVDPBQLCOCKYII-JOCHJYFZSA-N 450.926 3.787 50 10 JHGE CO[C@@H]1C[C@H](NCCSSCCNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1903182492 QZTIQWRPNRNDHY-JKSUJKDBSA-N 465.682 3.507 50 10 JHGE C[C@@H]1[C@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 1914423229 IDXSHKNCXWHFQP-VXNVDRBHSA-N 462.001 3.758 50 10 JHGE O=C(N[C@H]1C[C@@H]1CBr)c1cc(I)ccc1Br 1975547216 TVJCCRLJWBYEGZ-LDWIPMOCSA-N 458.919 3.567 50 10 JHGE C=C(Br)CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2009623136 ZGIUJBNTQYRPPF-UHFFFAOYSA-N 468.030 3.935 50 10 JHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCC(Br)CC2)C1 2025231229 CWXGUDCDMSGMER-HXUWFJFHSA-N 495.462 3.677 50 10 JHGE CN1C(=C(C#N)C(=O)COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)Sc2ccccc21 2053606901 XYPBJDFMWGALMK-INIZCTEOSA-N 470.938 3.529 50 10 JHGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1CC2(CN(Cc3ccccc3)C2)C1 2088573019 HYTWTAFJLXLUIZ-UHFFFAOYSA-N 455.805 3.694 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2cccc(Br)c2Br)C1 2109021880 SUBHXEPMWFYYBT-DTWKUNHWSA-N 455.972 3.836 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Br)ccc2I)C[C@@H]1Cl 2130820313 WRDKNIIJARKUJH-UBHAPETDSA-N 458.521 3.568 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2184359704 BCIXKIHXCWVYLS-ZBFHGGJFSA-N 461.422 3.799 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CCCC[C@@]2(CBr)C1 2238799482 INBGFYKKFKZYPW-VGOFRKELSA-N 497.455 3.670 50 10 JHGE CN(C)C[C@@H](Br)CN(C)C(=O)Cc1cc(Br)cc(Br)c1 2295318129 WDQHOSKJEASKQT-CYBMUJFWSA-N 471.031 3.538 50 10 JHGE BrCCN1CCN(Cc2ccc(I)c(Br)c2)CC1 2325222663 MDHTUXLZCVTLFK-UHFFFAOYSA-N 488.005 3.566 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CCCl 2364215142 RIJFRYDPLNEJRG-QZTJIDSGSA-N 455.020 3.760 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 14031223 MTLCMLLUTNWFQX-UHFFFAOYSA-N 463.559 3.857 50 10 JHGE C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14033910 XYHRUHIGIDDXDE-GFCCVEGCSA-N 456.282 3.676 50 10 JHGE COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(F)cc2)cc(OC)c1OC 33334303 QQIJGMMFZRVWSG-VULFUBBASA-N 452.438 3.835 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C)cc2Br)c(OC)c1 33631592 CURQECPPSIKZLH-BOPFTXTBSA-N 485.334 3.960 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1cccc([N+](=O)[O-])c1 58989668 WKLGADREBSVSCZ-FOKLQQMPSA-N 494.364 3.897 50 10 JHGE CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C/NNC(=O)c1ccccc1[N+](=O)[O-] 101746963 DBYORVVMDGTHHT-XNTDXEJSSA-N 472.299 3.515 50 10 JHGE C[C@@H](COC[C@H](C)OC(=O)Nc1cccc(CN=C=O)c1)OC(=O)Nc1cccc(CN=C=O)c1 111409470 OIKLHRPYUMZODQ-ROUUACIJSA-N 482.493 3.949 50 10 JHGE CC(=NNC(=O)c1nn(C)c(C)c1Br)c1ccc(NC(=O)c2ccoc2C)cc1 252623389 OQBDOAZKOJBAOB-UHFFFAOYSA-N 458.316 3.799 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 746182792 SWSCIQYGFPCNBO-GOSISDBHSA-N 496.545 3.833 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)N1CCCCC1 782092507 GFFWZZCTYOABFM-GMYFBSLISA-N 465.941 3.968 50 10 JHGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 1084080012 BNVAITKLYQKQCD-UHFFFAOYSA-N 470.957 3.565 50 10 JHGE COc1ccc(CCC(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c(O)c1 1084301940 NGRCPMPOSNVEFW-UHFFFAOYSA-N 478.501 3.770 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1 1197844373 RZCWTXSFTPLCNK-CQSZACIVSA-N 456.499 3.696 50 10 JHGE C#CCOc1ccc(CNC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1228782885 CKFJHGNFKMVOOS-UHFFFAOYSA-N 450.322 3.695 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746100 PJFNLANIIVEEDM-UHFFFAOYSA-N 476.445 3.948 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)/C=C/c4ccc(Cl)cc4)c(=O)c23)cc1 1860770726 USCCGIHRVKXSIA-IZZDOVSWSA-N 478.961 3.948 50 10 JHGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)c(OC)c1 1872755598 VVCGUUTYEKKVGR-ZZEZOPTASA-N 471.560 3.907 50 10 JHGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CC(Br)C1 1893137160 PEJLUHTVEOQLBA-LTDKPHRXSA-N 455.393 3.775 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@H]1OCc1ccccc1 1904301658 VPNOPVVGIFWVIX-DYESRHJHSA-N 456.630 3.685 50 10 JHGE C[C@H]([C@@H](Br)c1csc(Br)c1Br)S(=O)(=O)N(C)C 1945186521 IXJDHGQRVQHXBM-IYSWYEEDSA-N 470.046 3.989 50 10 JHGE BrC[C@@H]1[C@H]2C[C@H]1N(c1ncc(I)cc1Br)C2 1993993239 XPHRPAUUBCEZNW-SKWCMTHISA-N 457.935 3.668 50 10 JHGE CCN(C[C@](C)(CI)OC[C@@H](C)N1CCCC1)C(=O)OC(C)(C)C 2013717067 ZVYSHROCATWEEZ-QAPCUYQASA-N 454.393 3.938 50 10 JHGE COC(=O)c1ccc(CBr)c(I)c1I 2055322291 DEJGQNMBZWTJMQ-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE CCN1CC[C@@H]([C@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2089530583 HOKDJFOPUGSOSY-NWDGAFQWSA-N 478.577 3.758 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](OCCCl)C1 2109126024 PDOGKBHYUURIDP-SNVBAGLBSA-N 458.521 3.524 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3C[C@]3(CBr)C2)cc1Br 2146321534 RCRVQWOMTDGJPI-ZANVPECISA-N 488.039 3.926 50 10 JHGE CC(C)CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 2163051810 WXUOICXJGKEIDA-UHFFFAOYSA-N 461.422 3.848 50 10 JHGE Cc1cc(C(=O)N2C[C@@H](CBr)OC(C)(C)C2)ccc1I 2207104919 HQCWUGJLWJIAGS-GFCCVEGCSA-N 452.130 3.614 50 10 JHGE COC1CC2(CC(CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3I)C2)C1 2307608452 VGJWSXRCVDRRAF-YPFGQOJWSA-N 451.345 3.631 50 10 JHGE COC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl 2313567147 HJTYKSQGMNUSEA-UHFFFAOYSA-N 474.344 3.801 50 10 JHGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 2313743442 LXDLEPROWJWHFO-UHFFFAOYSA-N 461.543 3.623 50 10 JHGE N#CC(=CN(CCO)Cc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324605329 JQEBCFNUAACXDN-UHFFFAOYSA-N 480.612 3.822 50 10 JHGE CC[C@@]1(C)[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338846382 YMNLOTQLCFMSOU-RXVVDRJESA-N 485.444 3.811 50 10 JHGE CC1(C)C(Cl)C(C)(C)C1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364202630 UYPQLAIZNAUVAM-UHFFFAOYSA-N 455.020 3.804 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)cc1Br 13981422 HDRMYUQTBXUWIL-CMDGGOBGSA-N 452.761 3.760 50 10 JHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(NC(C)=O)cc2)cc1 27520886 YKLYFUKJIIQWCW-RRBJZPPHSA-N 456.502 3.575 50 10 JHGE COc1ccc(/C=C\C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1OC 33548040 FDRJDUGOMULJSM-ZSOIEALJSA-N 459.502 3.739 50 10 JHGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCC)cc2)c(OC)c1 33706494 JGSUCJWTUUBXQN-GYICUJRQSA-N 457.486 3.816 50 10 JHGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=c3\c(=O)c4cccc5cccc3c54)c2)c(C)c1 105473726 XPWCPJZXAZSBCZ-FVDSYPCUSA-N 483.549 3.892 50 10 JHGE COCCN(CCBr)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 164874158 MWBGHOTZYRNSSE-UHFFFAOYSA-N 470.010 3.788 50 10 JHGE COc1cccc(C=NNC(=O)c2cccc(Br)c2)c1OS(=O)(=O)c1ccccc1 252615140 JPKCUNFDYGHOLM-UHFFFAOYSA-N 489.347 3.989 50 10 JHGE COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)cc2)CC1 254808298 PAYQPRZVOLLEQM-UHFFFAOYSA-N 473.533 3.690 50 10 JHGE C[C@@H]1[C@H](CI)[C@H](I)CN1C(=O)OCc1ccccc1 306899784 KQMMOIPNKCQRTM-KGYLQXTDSA-N 485.103 3.882 50 10 JHGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cccc(O)c2O)C1 382727682 RPFNHEOAGTZLDK-ZBFHGGJFSA-N 453.276 3.885 50 10 JHGE CS(=O)(=O)N1CC[C@H](Oc2c(Br)cc(Br)cc2CBr)C1 689917894 PSDUSUAGDWAMQB-JTQLQIEISA-N 492.027 3.519 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 730908334 AGVKNGBNGGWWLG-IBGZPJMESA-N 486.544 3.748 50 10 JHGE CC(C)c1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860769616 APWSRDIDAFTHNH-BPLPYTOXSA-N 464.591 3.567 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OCc2ccccc2)C1 1882323320 LOENAMSOUMEOPN-SFHVURJKSA-N 455.646 3.893 50 10 JHGE O=C(N[C@H]1C[C@H](CBr)C1)c1cc(Br)ccc1I 1942434724 WJQYHPJITPBDIY-XWEPSHTISA-N 472.946 3.957 50 10 JHGE O=S(=O)(N1CC(OCc2ccccc2)C1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1959172477 CGYRRTQKTWFJMZ-QFIPXVFZSA-N 479.440 3.808 50 10 JHGE C[C@H](CCCCCI)NS(=O)(=O)CCCOCc1ccccc1 1982189198 CLTZRRRREQXNJB-MRXNPFEDSA-N 453.386 3.897 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1993396021 FGILFBWMZPAIGW-MWQQHZPXSA-N 451.370 3.503 50 10 JHGE Cc1ccnc(O)c1-n1nc(CBr)c(I)c1C(F)(F)F 2078931137 IFPIQKNLHCEAJW-UHFFFAOYSA-N 462.007 3.800 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162592291 SNICGENMKUKGTL-HALDLXJZSA-N 461.422 3.751 50 10 JHGE O=S(=O)(C1CC(CBr)C1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179955805 GLWIOSBZFWQOAO-CBNMVNINSA-N 455.462 3.868 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185292058 FPCURFWNSCRVQQ-RWMBFGLXSA-N 467.983 3.979 50 10 JHGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1cncc(CBr)c1 2283298574 JCAQEVQEDZRLDO-SJORKVTESA-N 452.418 3.508 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)C(F)(F)C1 2317776222 UIGLFDFFFVNYKM-VIFPVBQESA-N 450.448 3.799 50 10 JHGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331276458 ZKTQHMGSZWQJNL-UHFFFAOYSA-N 462.443 3.816 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCC[C@@H]1CCBr 2338678701 GFQJFEYWIWGPDH-SFYZADRCSA-N 457.992 3.629 50 10 JHGE C[C@@H](Br)[C@@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338852060 KPIAPLFRKWQDMP-IAGOWNOFSA-N 485.444 3.668 50 10 JHGE CC(C)[C@H](Br)C(C)(C)CN(C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2340363780 KWOZTYGFGYKKPP-SFHVURJKSA-N 487.460 3.770 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccc(Cl)cc1 12501796 FXDWESAXEWORPT-UHFFFAOYSA-N 492.782 3.970 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2cccc(OCCC(C)C)c2)cc1I 14644589 JUQDSEOZIUWXBC-UHFFFAOYSA-N 482.318 3.800 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668013 UKRKBGDSMAHELS-UHFFFAOYSA-N 492.370 3.815 50 10 JHGE O=C(NN=Cc1coc2ccccc2c1=O)c1cc(Br)c(O)c(Br)c1 15933697 WETLMRYZKKKZTK-UHFFFAOYSA-N 466.085 3.788 50 10 JHGE O=C(N/N=C/c1cccc(O)c1)C1[C@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1 20073492 ZQIDKFGYKRDRFF-JOQBJMIMSA-N 483.568 3.515 50 10 JHGE O=S(=O)(N[C@H]1COCC[C@H]1Br)c1c(Cl)cc(Br)cc1Cl 711031600 DIGPIXMIEKGXJC-XCBNKYQSSA-N 467.994 3.587 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)OCCOc2ccc3c(c2)CCC(=O)N3)c(-c2ccccc2)n1 725909234 HZDBWNSUGGRCBH-QNGOZBTKSA-N 481.512 3.878 50 10 JHGE Cc1csc(=O)n1CCOC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 749478352 DPONFTIFOCPPGU-BOPFTXTBSA-N 467.938 3.799 50 10 JHGE CCOc1ccc(C=NNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 1084183342 VPILAVZBBAGQRJ-UHFFFAOYSA-N 451.548 3.739 50 10 JHGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 1654333466 XSXSVCQSTSXQSC-ZDUSSCGKSA-N 454.412 3.516 50 10 JHGE Cc1nc2scc(C)n2c1/C=N/NC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860773555 AKQNGFJBWGTFSG-UKPZNQATSA-N 468.608 3.620 50 10 JHGE CCCSc1ccccc1C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865845498 SZCDECARUFQLCE-CQSZACIVSA-N 470.620 3.546 50 10 JHGE C[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866902362 HQNCERIAHXEVNZ-GOSISDBHSA-N 493.633 3.711 50 10 JHGE CCn1nnc(COc2c(Br)cc(CBr)cc2Br)n1 1892846494 MFKYSACDOIXJKC-UHFFFAOYSA-N 454.948 3.692 50 10 JHGE O=[N+]([O-])c1ccc(CBr)c(I)c1I 2060235651 MHDAZEBYRADPRL-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1scc(Br)c1Br 2072942735 BLYPBALCEGGVAI-XPUUQOCRSA-N 462.001 3.803 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(Br)c(Br)s2)[C@H]1Br 2078738353 PTKAXGMDQRHEIU-POYBYMJQSA-N 462.001 3.944 50 10 JHGE Brc1cc(I)cnc1N1CC[C@@]2(C[C@@H](Br)CO2)C1 2082002564 PDHFLDXAXIRIGF-PRHODGIISA-N 487.961 3.581 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 2095885830 TZSIKQNZBMUOCC-UHFFFAOYSA-N 466.781 3.635 50 10 JHGE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2162602451 OTWXDJXJISQOTD-HOCLYGCPSA-N 461.422 3.943 50 10 JHGE Cn1ncc(I)c1Cn1c(CCl)nc2ccc(Br)cc21 2189871932 NSFVHWWYRQLXMS-UHFFFAOYSA-N 465.520 3.924 50 10 JHGE O=C(c1cc(I)sn1)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2232024504 LGXRZWWVNGEHGC-YWVKMMECSA-N 455.159 3.916 50 10 JHGE Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](C)Br)cc1I 2232839044 OTGYMKPGAYIWQF-YPMHNXCESA-N 452.130 3.614 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CCO[C@@]2(CCl)C1 2239897022 VSSNAZFSTMXGAO-YGRLFVJLSA-N 470.532 3.524 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@H]1[C@H]2CBr 2311863908 GGAGKTLXXOBVLU-VDDIYKPWSA-N 484.957 3.909 50 10 JHGE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2322965143 DGFXOKJKXACBMV-BTYIYWSLSA-N 493.692 3.725 50 10 JHGE CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cn(C)c2ccccc12 15092951 ZRWGZLSADIBEAK-GOSISDBHSA-N 493.416 3.798 50 10 JHGE O=C(NN=Cc1cccc(Cl)c1)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 15985891 DQXWDPYRUBCXJN-UHFFFAOYSA-N 452.652 3.612 50 10 JHGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 40569391 IYFYHSNFZHPHLO-XLIONFOSSA-N 470.367 3.960 50 10 JHGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])cc1 40645764 UNHOBMLSHKXDQK-UHFFFAOYSA-N 456.846 3.715 50 10 JHGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc3c(C)cc(=O)oc3c2)c(OC)c1 40853100 MRWYSXNFHMNHDS-LICLKQGHSA-N 463.442 3.565 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 40884614 FGVFABLYSLWWSU-WOJGMQOQSA-N 461.430 3.947 50 10 JHGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC#N 58891544 SKSLZOPANJXLJS-SMNNTEATSA-N 460.328 3.714 50 10 JHGE CC(C)O[P@@](=O)(F)OCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 72399445 KDPHOPZAOAVYRV-BXASLSMCSA-N 467.544 3.908 50 10 JHGE in-vitro CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(CC)cc2)ccc1OC(=O)c1ccc(OC)cc1 254296753 LKYCEWQVLAVPGA-UHFFFAOYSA-N 489.528 3.964 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1 254396151 GYGNBCANUYYRDU-UHFFFAOYSA-N 463.446 3.742 50 10 JHGE CC(=NNC(=O)CON=Cc1ccccc1)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 254835770 PXZFFUSDPBIXJN-UHFFFAOYSA-N 455.729 3.886 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)cc2OC)cc1 254856359 NXERVIZLSCWHKE-UHFFFAOYSA-N 475.501 3.710 50 10 JHGE FC(F)(F)Oc1cc(I)nc(I)c1CCl 396182057 PEXDKRHETQBRNZ-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE CC(=O)OCC(=O)[C@]1(OO)[C@@H](C)C[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@]21C 504213887 VZKVPNVMKJHQHX-XDBXDXIPSA-N 488.577 3.689 50 10 JHGE O=C(NC1CC(CBr)C1)c1cc(I)ccc1Br 698906185 NEAPNNMRZGTGRH-UHFFFAOYSA-N 472.946 3.957 50 10 JHGE CC(C)Cn1ncc2cc(C(=O)NNc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cnc21 728220429 VHPIXUBTPNDHGX-UHFFFAOYSA-N 464.551 3.645 50 10 JHGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=S)Nc1ccc(C)cc1C 1135517734 LNHGBEVLTSVRRB-UHFFFAOYSA-N 450.358 3.665 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)cc1 1670033108 VMAOOJNMUQKTOW-KXBFYZLASA-N 451.445 3.551 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715183 YSBSSKCXVVSGDT-MRXNPFEDSA-N 475.358 3.921 50 10 JHGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(OC)c1 1872755463 OVCPEJFBJDDLEH-SDXDJHTJSA-N 492.469 3.824 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)C1)c1cc(I)ccc1Br 2020190278 HOUHVMWSYOGOAC-ZKCHVHJHSA-N 472.946 3.957 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@H]2[C@H]1CBr 2078298520 NXMCEXPGZGRZKY-LPBBDHJYSA-N 484.957 3.909 50 10 JHGE CCN1CCC[C@@H]([C@@H](Br)c2ccc(I)cc2)S1(=O)=O 2089536891 VNDKDSOQUYSZGY-STQMWFEESA-N 458.159 3.541 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@@H](CBr)OCC12CC2 2183973432 ARQCQLYFOUOPRW-SNVBAGLBSA-N 467.983 3.980 50 10 JHGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1cc(I)ccc1O 2204561214 DZJFYAQOMWFWDO-ZDAZMGEQSA-N 450.114 3.679 50 10 JHGE Cc1ccc(C(=O)N2C[C@@H](CBr)OC(C)(C)C2)cc1I 2232833198 LOQNGADMGQCKBI-GFCCVEGCSA-N 452.130 3.614 50 10 JHGE CCn1nc(C)c(CBr)c1-n1ccnc1CCCN1C(=O)c2ccccc2C1=O 2266639284 APRCYISVJZVEBQ-UHFFFAOYSA-N 456.344 3.521 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2268351316 WFGHLWOGIVTAMH-WCBMZHEXSA-N 458.521 3.569 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1[C@@H]1CCC[C@H](CI)O1 2307437270 QPRIAWXWXJHSLZ-ILXRZTDVSA-N 451.345 3.775 50 10 JHGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N2CCOCC2)c1 2314436974 VCRKWDDESNBGGY-UHFFFAOYSA-N 458.518 3.684 50 10 JHGE COc1ccc(-c2ccc(C(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)c(C)n2)cc1OC 2321248509 KPTGQFWCOCMIQY-UHFFFAOYSA-N 465.506 3.864 50 10 JHGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334683 BCTWXNJQKUWLIY-UHFFFAOYSA-N 490.453 3.926 50 10 JHGE CC[C@@]1(C)[C@@H](Br)CCN1C(=O)c1c(Br)c(Br)nn1C 2338673960 OFILFHAFRIQAOM-MADCSZMMSA-N 457.992 3.723 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@H]1CCC[C@@H]1Br 2338848887 BEYCUWAJXZWNAI-APWZRJJASA-N 485.444 3.716 50 10 JHGE Cc1cccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3cn(C)c4ccccc34)ccc2C)c1 10736856 LNDZJPZGKRRBCO-UHFFFAOYSA-N 476.558 3.671 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCCC)cc1Br 14647860 QDVRKUACEIEFCL-UHFFFAOYSA-N 494.411 3.976 50 10 JHGE COc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 22570040 BTVDLGFIHQFYGU-HHHXNRCGSA-N 462.513 3.850 50 10 JHGE N#CCS/C(SCC(=O)c1ccc2c(c1)OCO2)=C(\C#N)C(=O)c1ccc2c(c1)OCO2 34688140 KTMAMDUEMRXAFT-JCMHNJIXSA-N 466.496 3.935 50 10 JHGE CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C\c1ccccc1OCc1ccccc1C#N 35304445 PNNOQIVQGOEHKZ-GRXZTXSZSA-N 498.539 3.771 50 10 JHGE CCOc1cc(C=NNC(=O)CNC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccs1 254758183 GLERMPTUXJGMEH-UHFFFAOYSA-N 485.949 3.900 50 10 JHGE CO[C@@]1(CCl)CCN(C(=O)c2cc(I)ccc2Br)C1 401602087 BPZMDQUNXLZLJU-CYBMUJFWSA-N 458.521 3.524 50 10 JHGE CN(C)c1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 1084541884 TZHCRHLCUOTNHI-UHFFFAOYSA-N 470.982 3.752 50 10 JHGE O=S(=O)(CCOCCCl)Nc1ccc(Cl)c(I)c1Cl 1877116980 KAROBYANWNQNGU-UHFFFAOYSA-N 458.532 3.595 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1893148265 MIVXKPHCUTZARI-SQNIBIBYSA-N 455.393 3.728 50 10 JHGE Brc1cc(Br)cc(CO[C@H]2COC[C@H]2I)c1 1900366254 CESGMQAHFKICHH-MNOVXSKESA-N 461.919 3.931 50 10 JHGE Cc1ccc(N2C(=O)C(=CNNC(=O)CN3CCCc4ccccc43)c3ccccc3C2=O)c(C)c1 2040441789 MOGBHTOKGKKNBE-UHFFFAOYSA-N 480.568 3.905 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](Br)C2(CC2)C1 2093340928 JLLPJUGZQBREOE-LLVKDONJSA-N 474.012 3.760 50 10 JHGE C[C@]1(C2CC2)CN(S(=O)(=O)c2cc(CBr)co2)CCN1Cc1ccccc1 2179831129 SVCBBKQNEHVLQS-HXUWFJFHSA-N 453.402 3.850 50 10 JHGE O=C(Cc1ccccc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190676826 FZECFEMLCOXZHW-TZQJONAQSA-N 452.105 3.699 50 10 JHGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCCOCCOc1ccccc1 2278388010 YPZWKJJXJUNWTE-LJQANCHMSA-N 479.355 3.817 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1C[C@H](Br)CCO1 2295306950 COMFMZYTAGFDOJ-MFKMUULPSA-N 469.999 3.813 50 10 JHGE N#CC(=CNCCc1ccc(O)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598923 GSVLASKYJMKPQD-UHFFFAOYSA-N 466.585 3.866 50 10 JHGE COc1ccc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1OC 2331245089 SELAGNJQTBDMAN-UHFFFAOYSA-N 471.560 3.907 50 10 JHGE Clc1ccc(CC[C@@H](Br)CN2CCOCC2)cc1I 2337219575 UTOXGAPSGFEAHT-GFCCVEGCSA-N 458.565 3.973 50 10 JHGE C[C@H]1CC[C@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338849813 MFNNYIMGXAJOTB-DLBZAZTESA-N 485.444 3.668 50 10 JHGE C[C@H](Br)C1CCN(C(=O)c2c(Br)c(Br)nn2C)CC1 2338862134 WAWYUJJCQXTLIX-ZETCQYMHSA-N 457.992 3.581 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CBr 2358968948 LRLFJEASYKZJKH-FCEWJHQRSA-N 497.455 3.667 50 10 JHGE C[C@@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCCl 2364212782 ALHYNGGZBITMFB-XLIONFOSSA-N 455.020 3.902 50 10 JHGE Cn1cc(I)c(CN2C[C@H](CBr)C[C@H](C(C)(C)C)C2)n1 2367588013 VQEVQDFOESIYHR-RYUDHWBXSA-N 454.194 3.904 50 10 JHGE COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1OCn1cccn1 20291445 ZKLWYBOWWJITNS-WPWMEQJKSA-N 469.501 3.944 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)cc1 730998137 LQSZZVDCHJESJV-UHFFFAOYSA-N 481.412 3.762 50 10 JHGE O=C(Cc1ccccc1F)NNC(=O)c1cccnc1Oc1ccc(F)cc1Br 731328872 LSSVELWJFHQOHY-UHFFFAOYSA-N 462.250 3.918 50 10 JHGE Cc1ccccc1CNC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 748915557 CFHQXZZWVWMMQS-HYARGMPZSA-N 453.502 3.539 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)N1CCc2ccccc21 761400070 GFFNEKKFXXXSFK-ODENVGOISA-N 465.513 3.892 50 10 JHGE O=C(CSCc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084162195 ZDXNGRHXQXWZED-UHFFFAOYSA-N 478.530 3.996 50 10 JHGE CC(=O)N1C[C@H](CI)[C@H](c2ccc(C)c(I)c2)C1 1614809204 OOSRIFWJXBVOHS-STQMWFEESA-N 469.104 3.597 50 10 JHGE COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc(OC)c1OC 1860772672 FNGWNBRXRFGYDY-KKMKTNMSSA-N 492.557 3.610 50 10 JHGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O 1865757227 SKXKATCOFNDDFC-UHFFFAOYSA-N 492.482 3.805 50 10 JHGE Cc1nc(I)c(I)n1-c1ncc(CCl)s1 1928097353 GLAJUSXVDTUUCZ-UHFFFAOYSA-N 465.485 3.585 50 10 JHGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)CCC(CCl)CCl)C1 1982826514 IKHPZWPGBGUZDS-UHFFFAOYSA-N 481.442 3.853 50 10 JHGE COC(=O)c1c(CBr)ccc(I)c1I 2055332364 ZMTVAYKUVZJNRT-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N1CCC=C(Br)C1 2059265460 VXJZSNFHZCAYEE-UHFFFAOYSA-N 463.973 3.610 50 10 JHGE CC[C@@H](C)[C@H](CI)NC(=O)c1cc(I)ccc1O 2081236028 LKIKJFDPTFLUIK-KCJUWKMLSA-N 473.092 3.576 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@]2(CBr)C1 2090125546 WBVFDWDZYSJYBO-PRHODGIISA-N 474.012 3.617 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cc(Cl)ns2)C1 2110934826 NFAPYYPAWOZRLX-MRVPVSSYSA-N 451.633 3.550 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@@H](CBr)C2(CCCC2)C1 2120026413 OSFWHNFWNQTNFP-SECBINFHSA-N 455.159 3.775 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1Cc1cc(Cl)ccc1I 2122374142 HYOALVAOIFXPMC-AAEUAGOBSA-N 457.581 3.844 50 10 JHGE C[C@H](CO[C@H](CI)c1ccc(Br)cc1)N1CCOCC1 2186733695 QEHANFWPOWANQL-IUODEOHRSA-N 454.146 3.663 50 10 JHGE COC1(CBr)CCN(C(=O)c2cc(C)ccc2I)CC1 2240914828 PMIRNUQGUACCFV-UHFFFAOYSA-N 452.130 3.616 50 10 JHGE O=C(NC[C@H](Br)CBr)c1ccc(Cl)c(I)c1 2243582917 XDKYPBVLJLDFJZ-SSDOTTSWSA-N 481.353 3.833 50 10 JHGE CC(C)(CI)CN1C[C@H](NC(=O)OC(C)(C)C)CC12CCOCC2 2306814962 GYIYHYKKVGOELS-CQSZACIVSA-N 452.377 3.596 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CCC[C@@]2(CBr)C1 2364021816 JTSNVDFBAQZZJJ-ISVAXAHUSA-N 470.003 3.582 50 10 JHGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccccc1C(=O)c1ccccc1 3252764 FVNQOUAFTMZPIX-XDHOZWIPSA-N 454.438 3.735 50 10 JHGE O=C(NNC(=O)c1ccc(SC[C@@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 8680414 SIAXQQSYNSUYCY-ZDUSSCGKSA-N 480.886 3.502 50 10 JHGE C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1OC(F)F 9540552 GNWMRECWIBPFPH-BUVRLJJBSA-N 451.495 3.617 50 10 JHGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334431 ZOLDIZRLGFLZPY-UHFFFAOYSA-N 475.570 3.822 50 10 JHGE C=C(C)Cn1c(SCC(=O)N/N=C/c2cc(OC)ccc2OC)nnc1-c1ccc([N+](=O)[O-])cc1 27520609 RMOOEXUZVXAOIQ-WYMPLXKRSA-N 496.549 3.689 50 10 JHGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc2c(c1)OCO2 40685009 ZDNIIFFFDPEAOH-UHFFFAOYSA-N 454.490 3.806 50 10 JHGE COc1ccc(COC(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 59147333 UADFUWLFFNDSAQ-YYDJUVGSSA-N 460.446 3.781 50 10 JHGE CCOc1ccc(N([C@@H](C)C(=O)NN=Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 252616130 JXKMHGBYFGITEJ-ZDUSSCGKSA-N 458.367 3.697 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCSC[C@H]1CCCl 689269638 LJDDBKSKQXHDPT-SNVBAGLBSA-N 463.644 3.947 50 10 JHGE O=C(c1ccc(F)cc1I)N1CCS[C@@H](CCBr)C1 720041719 RDJCMZZREMESMO-JTQLQIEISA-N 458.134 3.773 50 10 JHGE N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CCCO2 725753519 OHHXLNRCGGLLDV-PDGQHHTCSA-N 475.936 3.950 50 10 JHGE COc1ccc(N(CC(=O)NN=C(C)c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083903892 HNRPTMXVDBQQBL-UHFFFAOYSA-N 487.603 3.809 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C)cc(Br)c1O 1084180424 ZEADKUCYDPMNSM-UHFFFAOYSA-N 472.133 3.763 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1cccc(Br)c1)c1ccc2c3c(cccc13)CC2 1084438225 IHOIPHVXXYZNOV-UHFFFAOYSA-N 486.391 3.617 50 10 JHGE C=CCn1c(Cc2ccccc2)nnc1SCC(=O)NNC(=O)c1cc(C)c(CC)s1 1188620547 MIRFSVNXHXLCIO-UHFFFAOYSA-N 455.609 3.541 50 10 JHGE CC(C)(CI)CN=[S@](C)(=O)CC1CC(NC(=O)OC(C)(C)C)C1 1904651599 RMWDMGNGOWPSME-RKLPPVLTSA-N 458.406 3.849 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc(Br)c2)C[C@H]1Br 2130822378 LVXHSGUDZLTCSO-QJPTWQEYSA-N 455.972 3.882 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2131198761 SLTUBSACPZWSDR-GJZGRUSLSA-N 459.793 3.676 50 10 JHGE CN1[C@H](COc2c(Br)cc(CBr)cc2Br)CCS1(=O)=O 2144912745 NUMRZDJSXCDXOH-VIFPVBQESA-N 492.027 3.519 50 10 JHGE COCCN1C(=O)C(=Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C(C)=C(C#N)C1=O 2314618996 XXKCQYGIZGLZPH-UHFFFAOYSA-N 483.484 3.686 50 10 JHGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 2314737121 MXYDDHYQXCLWRD-UHFFFAOYSA-N 487.468 3.811 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCC[C@H]1NC(=O)OC(C)(C)C 2325591081 KHYNHHAYCCQUDF-QVKFZJNVSA-N 493.692 3.773 50 10 JHGE COc1cc(Br)cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1O 2328822766 RVIVOTGOABUOMA-AWEZNQCLSA-N 458.353 3.553 50 10 JHGE COc1ccc(/C=C\C(=O)N/C(S)=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC 33762291 KMSYPSYODJMCJF-DHDCSXOGSA-N 491.569 3.896 50 10 JHGE O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)NNC(=O)C1CCC1 59878127 ZKJVCBHSQAWMEN-UHFFFAOYSA-N 470.986 3.572 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H](CBr)O1 235360485 KZWVIYKHEXLKQA-PSASIEDQSA-N 458.521 3.569 50 10 JHGE COc1cc(C(C)=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1O 254616504 ADPPOKTYLBECCT-UHFFFAOYSA-N 474.542 3.732 50 10 JHGE CCOc1cc(C=NNC(=O)CC2(C)OCCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 254714922 DWKBZBUMTUAONE-UHFFFAOYSA-N 457.483 3.566 50 10 JHGE COc1ccc([N+](=O)[O-])cc1C=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 254873807 IYBHTPSMTPQGSD-UHFFFAOYSA-N 496.545 3.566 50 10 JHGE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CCC(C)C)c1 727349063 KOZIJYLWPMKWPH-UHFFFAOYSA-N 494.013 3.927 50 10 JHGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1084068615 YPBPVGRSRVQUIE-UHFFFAOYSA-N 457.534 3.677 50 10 JHGE CC(=O)N(CCc1ccccc1)CC(=O)NNc1cccc(OC(F)F)c1Br 1558275520 QDVDHKMPJOHNGV-UHFFFAOYSA-N 456.287 3.585 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 1644011369 GAWQRVHRMSZNMZ-UZLBHIALSA-N 452.580 3.888 50 10 JHGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865691937 FJYZZKUFALGACC-OAQYLSRUSA-N 464.497 3.877 50 10 JHGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852392 UTQVOUCMRDMNIJ-ZACQAIPSSA-N 496.633 3.882 50 10 JHGE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866603098 BOQUQUKRRGBNNY-NRFANRHFSA-N 488.525 3.796 50 10 JHGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)C1COC1 2009713323 YXWDIHOMYWQNJQ-UHFFFAOYSA-N 475.202 3.934 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(OC)c1 2040430627 VMCGGCYBMHFSEW-UHFFFAOYSA-N 462.531 3.887 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H]2C[C@@]1(CBr)CO2 2094654208 VKZOGEGDRHYPSV-AMIZOPFISA-N 453.956 3.590 50 10 JHGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)cc1 2179786902 HPFNMAMJAPWAIA-FQEVSTJZSA-N 451.430 3.909 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2179828653 SHDQGXUBVARHMY-OALUTQOASA-N 453.402 3.850 50 10 JHGE CCOc1cccc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1O 2325904159 LYASRHFJCHMLHS-UHFFFAOYSA-N 462.531 3.688 50 10 JHGE CCN(C(=O)c1c(Br)c(Br)nn1C)[C@H]1CCC[C@H]1Br 2338863561 LQHNDXFUGULFQL-SFYZADRCSA-N 457.992 3.723 50 10 JHGE CCn1nc(C)c(Br)c1CNCC(F)(F)C(F)(F)CI 2361672865 UTLGLBGGSUQTLY-UHFFFAOYSA-N 472.062 3.769 50 10 JHGE COc1ccc(/C=N/NC(=O)COc2c(Br)cc(C)cc2Br)c(O)c1 1021468 SLBIRKDQTAODIV-DNTJNYDQSA-N 472.133 3.763 50 10 JHGE COc1ccc(/C=N/NC(=O)c2cccnc2)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C 2946168 NZFZNKNDLRUYET-RDYICOSNSA-N 474.561 3.991 50 10 JHGE CCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 14029472 CAKPBTUYZXXDPV-UHFFFAOYSA-N 482.318 3.944 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2I)c(OC)c1 103746545 ACCVXFYOAJLYEJ-PTNGSMBKSA-N 488.281 3.728 50 10 JHGE O=C(NNc1nc(-c2ccncc2)no1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 110853489 YOANFQRSPAIHFR-UHFFFAOYSA-N 455.400 3.970 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 207216412 IFNRESJJBCBXTP-STZFKDTASA-N 478.545 3.877 50 10 JHGE N#Cc1ccc(OCC(=O)NNC(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 209736674 ZIFBBWHLWINXPZ-RAXLEYEMSA-N 483.553 3.771 50 10 JHGE C[C@]1(C(=O)NN=Cc2cc3c(cc2Br)OCO3)CC1(Br)Br 252619582 LQMNURGDJUYVGU-GFCCVEGCSA-N 482.954 3.524 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(=O)O)n2-c2ccccc2)cc1 254304520 HKZRNZATARNHIV-UHFFFAOYSA-N 487.541 3.884 50 10 JHGE CCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OCC 254591176 LDRIRJDPRWRRJA-OAHLLOKOSA-N 468.579 3.531 50 10 JHGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(CC(=O)N(CC)CC)c3ccccc32)cc1 1084503288 PJVOZQDSWPMBOC-UHFFFAOYSA-N 477.609 3.662 50 10 JHGE BrC[C@H](CN1CCn2c(Cc3cccc(Br)c3)nnc2C1)C1CC1 1658442558 QJIZDVYIILYIEI-OAHLLOKOSA-N 454.210 3.868 50 10 JHGE CCOc1cc(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 1772719717 PGZGFUNCGPJKHY-UHFFFAOYSA-N 478.417 3.885 50 10 JHGE Cc1csc2nc(Cl)c(/C=N\NC(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)n12 1860772639 CRFBOBBTMRWAHY-GYRAYZOKSA-N 482.978 3.946 50 10 JHGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1865680386 JHZUSRYYCSWYDY-GOSISDBHSA-N 453.296 3.827 50 10 JHGE O=C(CBr)c1cc([N+](=O)[O-])cc(I)c1OC(F)(F)F 2055115793 CLYJXTBSYNUVFG-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE COc1ccncc1-n1nc(CBr)c(I)c1C(F)(F)F 2078925787 BAQIDFIFCDRNCO-UHFFFAOYSA-N 462.007 3.794 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(I)ccc2Br)C[C@H]1Cl 2130815904 BZGCITQDHKMUMF-GGZOMVNGSA-N 458.521 3.568 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2196362766 YIPNUMXZGLDEPW-HOCLYGCPSA-N 461.422 3.799 50 10 JHGE Clc1ccc(I)c(CN2C[C@@H]3COC[C@]3(CBr)C2)c1 2226182759 QQNMJCDGOPVFFK-RISCZKNCSA-N 456.549 3.788 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 2313892258 HSZQIMQZRLVJPA-KRWDZBQOSA-N 463.559 3.741 50 10 JHGE COc1ccccc1C(O)(C(=O)NNc1ccc(Br)cc1)c1ccccc1OC 1513362 MJVMCROHYABIBL-UHFFFAOYSA-N 457.324 3.846 50 10 JHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(Br)c1 14036200 MBDMLIVCJQIITB-UHFFFAOYSA-N 494.411 3.976 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1Br 14770378 BOCOFUVYJSKZDM-UHFFFAOYSA-N 486.160 3.759 50 10 JHGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 14834044 WOSUBQBGIAAQDG-XETPBLJFSA-N 453.951 3.996 50 10 JHGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)C(F)(F)[C@H](F)Cl)cc1F 31500245 WVORQHAOGHAORO-AWEZNQCLSA-N 474.766 3.967 50 10 JHGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/NC(=O)c1cc(Br)ccc1O 59167309 NEUVBTFJWOPBNN-UFFVCSGVSA-N 458.272 3.629 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)OC 59304258 QVJXYBHFTKRXLG-FOKLQQMPSA-N 475.295 3.910 50 10 JHGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc3cc(OC)ccc3oc2=O)c(OCC)c1 206992036 CISXGNPMSOOVDZ-YVLHZVERSA-N 463.442 3.890 50 10 JHGE O=C1NCCOc2ccc([C@@H](Br)c3ccc(I)cc3)cc21 228234175 ZGKZBKVZUXKARI-HNNXBMFYSA-N 458.093 3.898 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)c1ccc(Br)s1 232874435 ZCAGARQUCHZTQT-UHFFFAOYSA-N 470.046 3.728 50 10 JHGE Cc1cccc(NCCCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCOCC2)c1 253578226 YBRSLYXISDQJOW-TURZUDJPSA-N 460.582 3.668 50 10 JHGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)CNc3ccc4c(c3)OCO4)c2C)cc1 254315698 BUDIAXUBVWHJBM-UHFFFAOYSA-N 462.506 3.562 50 10 JHGE O=C(N[C@H]1CCCN(CCBr)C1)c1cc(Cl)ccc1I 384726718 OQMVPUJSBLSMIJ-NSHDSACASA-N 471.564 3.534 50 10 JHGE O=C(NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1cccc2cccnc12 727477077 BMRAFIHBFMZURA-FQEVSTJZSA-N 463.925 3.691 50 10 JHGE O=C(COC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 768137286 INCOXLKGLIVLIN-BKUYFWCQSA-N 497.866 3.932 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(S(=O)(=O)c3ccc(CBr)cc3)C2)C1 1260505792 QDJJUZHUFOGAPY-LJQANCHMSA-N 459.406 3.603 50 10 JHGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 1443894205 HNJNOQMOSSDPOK-UHFFFAOYSA-N 450.421 3.627 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772746441 CQJWLWZAHQIMJR-UHFFFAOYSA-N 464.497 3.753 50 10 JHGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)c1 1865759177 LZWNLDBYNGSVQV-NTUHNPAUSA-N 477.517 3.566 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@H]2[C@H]1CBr 1905823775 RAFUVYLHPIHCBE-JVUFJMBOSA-N 474.012 3.616 50 10 JHGE CN1CC[C@@H]([C@@H](Br)c2cc(Br)sc2Br)S1(=O)=O 1941946411 KIBGFJPUDHMFGH-XPUUQOCRSA-N 468.030 3.743 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1991457714 KTKFBTUESMLVLZ-MOPGFXCFSA-N 480.447 3.788 50 10 JHGE CCN(C[C@](C)(CI)OCCn1ccnc1C)C(=O)OC(C)(C)C 2012481210 HHESDTYTBDIXTN-KRWDZBQOSA-N 451.349 3.659 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)c1cc(Br)c(Br)s1 2049914527 RWTGEMSJASIELQ-LLVKDONJSA-N 462.001 3.899 50 10 JHGE CN1C(=C(C#N)C(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)Sc2ccccc21 2053612397 GAKNWZDKGUCXBH-UHFFFAOYSA-N 479.602 3.799 50 10 JHGE O=[N+]([O-])c1ccc(I)c(CBr)c1I 2060230652 QHTLLDIAZANNCP-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE C[C@H](Br)C[C@H]1CCCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2089706756 FZYPCWGQCVQJAD-DLBZAZTESA-N 485.444 3.811 50 10 JHGE O=C(c1cc(I)ccc1F)N1CCSC[C@@H]1CCBr 2113348637 KRBWJLKEFXRHJZ-JTQLQIEISA-N 458.134 3.773 50 10 JHGE O=C(c1cc(I)ccc1O)N1CCC2(CC1)C[C@@H]2CBr 2148911389 ZEJRDDLAMGUKCX-SNVBAGLBSA-N 450.114 3.634 50 10 JHGE C[C@]1(C2CC2)CN(S(=O)(=O)[C@@H]2CC[C@H](CBr)C2)CCN1Cc1ccccc1 2179827064 AFXXVRDWOFAKLH-CEWLAPEOSA-N 455.462 3.866 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@]21CC[C@@](C)(CI)O1 2249355639 KAYLYFOCNRYBHV-AJRPESIASA-N 451.345 3.679 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCOC[C@H]1CBr 2295310819 BWMPHRFKCZQOKO-MFKMUULPSA-N 469.999 3.670 50 10 JHGE O=[N+]([O-])c1cc(Br)cc(Cl)c1OCCOCCI 2326703897 GJIWXOLHHZLQEB-UHFFFAOYSA-N 450.454 3.841 50 10 JHGE N#C/C(=C\c1ccc(OC(=O)c2cccnc2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 9090575 RUBMHYJEXVSXDN-OQKWZONESA-N 478.512 3.782 50 10 JHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1 10277109 CZIYYNCZAPSUFN-UHFFFAOYSA-N 493.585 3.630 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c(C)c1 13978065 FVINDPFGNYINIK-UHFFFAOYSA-N 482.762 3.664 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 14028043 CTERQTGJIWXBGE-CXUHLZMHSA-N 461.543 3.623 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OC 14650325 JJNWRMTYQULLSN-UHFFFAOYSA-N 480.384 3.586 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Nc3nc4ccc(OC)cc4s3)c2[N+](=O)[O-])cc1 40657607 PMWPMCFBJROHDL-UHFFFAOYSA-N 467.467 3.512 50 10 JHGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCc4ccc5c(c4)OCO5)c(C)c32)c1 40822193 TUHWFYNRNZJCEI-TURZUDJPSA-N 475.501 3.726 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCC#N)c(Br)c2)cc1 58893790 NVUVSDIFMTXXPD-QHSFOXILSA-N 460.328 3.714 50 10 JHGE Nn1c(SCCCC(=O)NN=C2CCCCC2)nnc1-c1ccc(Br)cc1 58992223 ZQVQDJWWARQRAA-UHFFFAOYSA-N 451.394 3.730 50 10 JHGE CCOC(=O)C1=C(C(Br)Br)NC(=O)N[C@H]1c1ccccc1Cl 138036260 IKNYTZBJLCLNAV-JTQLQIEISA-N 452.530 3.627 50 10 JHGE CC(=O)Oc1ccc(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)c(OC(C)=O)c1 254882831 APIQBIGRYJPTTD-UHFFFAOYSA-N 476.485 3.645 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C1CCCC1 725117437 HHGTWSSOEVDTRS-SFHVURJKSA-N 485.444 3.572 50 10 JHGE C[C@H](NC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1 761410320 LBEVVFWAMSCHQQ-SBGXLDQMSA-N 471.492 3.930 50 10 JHGE CN(Cc1nc(O)c2ccccc2n1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 914465167 DSDRHLKSNKACPX-RGEXLXHISA-N 463.501 3.678 50 10 JHGE CN(C)c1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084547325 MREDBJIALIVKFW-UHFFFAOYSA-N 485.009 3.747 50 10 JHGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(CC(=O)N(CC)CC)c2ccccc21 1084555748 OYRHPRDTNUJGKS-UHFFFAOYSA-N 464.566 3.605 50 10 JHGE Cc1cc(C)c(OCC(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)c(C)c1 1084632892 XTJYJQFICAXPEA-UHFFFAOYSA-N 472.501 3.966 50 10 JHGE COc1ccc([N+](=O)[O-])c([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)c1 1614639059 QPTKSIJYZXYDNS-FZMZJTMJSA-N 462.284 3.989 50 10 JHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 1772746702 ZLZBFZFNPHDVQN-UHFFFAOYSA-N 491.456 3.972 50 10 JHGE BrCCOCc1cn(-c2ccc(I)c(Br)c2)nn1 2029348462 ZPFAUECNPZSBLA-UHFFFAOYSA-N 486.933 3.546 50 10 JHGE C[C@@H]([C@H](Br)c1c(Br)cccc1Br)S(=O)(=O)N(C)C 2033092674 CWVVTSKZXLAOHS-CPCISQLKSA-N 464.017 3.928 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC(CI)CC1 2037337237 XLMHRHSTMNNIOJ-UHFFFAOYSA-N 484.606 4.000 50 10 JHGE O=C(Cl)c1ccc(OC(F)F)c(I)c1I 2060175071 WOTRPIVLVBMEIV-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE Brc1cc(I)cnc1N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2069531253 GDGLTAXUMUNLCL-PPKCKEKNSA-N 487.961 3.580 50 10 JHGE Cc1ccc(-n2cnc(I)c2I)c(CCl)n1 2244570547 OKHZKGWVWVCSFQ-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccccc3Cl)nc12 2296542699 BCNSRFGRHCGSGT-KRWDZBQOSA-N 464.909 3.651 50 10 JHGE N#CC(=Cc1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCc1ccco1 2296846638 JJCSSRNISBSCHS-UHFFFAOYSA-N 493.567 3.970 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(CCOCCI)C1 2306804734 LGZMJTVPWTYREA-CVEARBPZSA-N 452.377 3.550 50 10 JHGE Cc1ccc(NCc2nnc(SCC(=O)NNC(=O)c3ccc(F)cc3)n2-c2ccccc2)cc1 20922833 YRVDXJHOBJKNFV-UHFFFAOYSA-N 490.564 3.880 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)c2ccccc2Br)C1 118671982 OZBFYPJREVISGZ-SNVBAGLBSA-N 475.040 3.911 50 10 JHGE CC(C)[C@@H](CI)NS(=O)(=O)c1cc(Cl)c(Br)s1 232722668 BZMUIJZYBPRIOK-SSDOTTSWSA-N 472.595 3.902 50 10 JHGE Cc1nnc(SCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1-c1ccccc1 252621537 NATGLMVTMRCWIZ-UHFFFAOYSA-N 462.491 3.986 50 10 JHGE CC(=NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1cccc(OC(F)F)c1 254835386 DNVLZJQBCXLQAR-GOSISDBHSA-N 465.522 3.538 50 10 JHGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 263626383 BAAZSMIPAUWWAB-UHFFFAOYSA-N 451.351 3.967 50 10 JHGE CN1C(=C(C#N)C(=O)CCC(=O)N2CCC[C@@H](CN3CCCCCC3)C2)N(C)c2ccccc21 728532014 XEEKFEZBCNOXPH-NRFANRHFSA-N 463.626 3.772 50 10 JHGE C[C@@H]1CCC[C@H](NC(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)[C@@H]1C 761413954 BDORHZWZWXYYTR-IMNXWKGWSA-N 459.550 3.855 50 10 JHGE NNC(=O)/C=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1 1081475888 JGQNVBBFCZYBKY-YWEYNIOJSA-N 473.108 3.636 50 10 JHGE COc1cc(C(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 1084623159 HHIBDKIXNJTWKP-UHFFFAOYSA-N 484.530 3.552 50 10 JHGE O=C(NNC(=O)c1c[nH]c2cc(Br)c(Br)cc12)c1ccc2c(c1)OCCO2 1087772277 NIUIUMAIHCKYEM-UHFFFAOYSA-N 495.127 3.539 50 10 JHGE O=C(NN=C1CCS(=O)(=O)c2ccc(Br)cc21)c1ccc(Br)cc1 1326761231 BEUNAQKQNCOZRE-UHFFFAOYSA-N 472.158 3.523 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1)c1ccc(Cl)cc1 1470661917 CNJVQBAOIIERAZ-PXAZEXFGSA-N 450.720 3.575 50 10 JHGE CCCc1nn(C)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701105 MAQNZKYFXPVJGK-ZDUSSCGKSA-N 468.149 3.821 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H](F)[C@@H](Br)C1 2020426873 BZWVXMDSYYLEBA-UWVGGRQHSA-N 476.909 3.611 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2I)C[C@@H]1Cl 2142279620 SHWBGMSXCWGKSD-PTOFAABTSA-N 458.521 3.568 50 10 JHGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(c2ncnc(O)c2I)C1 2164998362 JKUNREMXKITOMZ-NXEZZACHSA-N 454.150 3.670 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1B(O)O 2268642911 HGAIDMSOZNOLDV-QYBDOPJKSA-N 486.377 3.567 50 10 JHGE O=S1(=O)C[C@H]2C([C@H](Br)c3sc(Cl)cc3I)[C@@H]2C1 2301081275 MZCYXQRSDBOBPK-OJFKHTATSA-N 467.575 3.733 50 10 JHGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1ccc(I)c(O)c1 2303767956 WYTPKGFPKOKLRL-HNNXBMFYSA-N 459.711 3.941 50 10 JHGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCC(=O)OCC 2313566864 CCBBLQLQUDLFMS-UHFFFAOYSA-N 489.572 3.621 50 10 JHGE C[C@@H](Br)CN1CCN(Cc2ccc(Cl)cc2I)CC1 2341049649 MGVSHVSICJXUKH-LLVKDONJSA-N 457.581 3.846 50 10 JHGE COc1ccc2c(c1)/C(=N\NC(=O)COc1ccc(Br)cc1)C(=O)N2CCC(C)C 33959396 IVDQZPYXBPOHGP-NJNXFGOHSA-N 474.355 3.750 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccccc1O 58989013 HJEAFGXQQSOGHF-FOKLQQMPSA-N 465.366 3.694 50 10 JHGE N#C/C(=C/c1c[nH]nc1-c1ccc(Br)cc1)C(=O)NCc1ccc2c(c1)OCO2 96438291 RFPIPIPFYBQSLQ-NVNXTCNLSA-N 451.280 3.791 50 10 JHGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 105508726 VNSHXDGVJJRPLV-JJIBRWJFSA-N 490.585 3.566 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H](CBr)O1 235657135 KZWVIYKHEXLKQA-WCBMZHEXSA-N 458.521 3.569 50 10 JHGE COc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 254532606 ZAPJDNSOAXQNOD-UHFFFAOYSA-N 467.529 3.736 50 10 JHGE CCc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 254792027 MLFCLCBAMLNCRZ-UHFFFAOYSA-N 475.501 3.574 50 10 JHGE Cc1csc([C@@H](C)NC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)n1 727678205 KWJHHFIWNOSZFN-SLVCOGOPSA-N 468.970 3.628 50 10 JHGE Cc1ccc(C)c(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c1 1083935416 JYKMMTSOCFAZLE-UHFFFAOYSA-N 476.558 3.551 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3cc(Br)ccc3O)cc2)cc1 1084274046 BCWGNOJDVAWDQC-UHFFFAOYSA-N 489.347 3.995 50 10 JHGE C#CCCCC(=O)NNC(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1472039781 OACKOWJMFQPRBU-UHFFFAOYSA-N 459.546 3.598 50 10 JHGE O=C1[C@@H]2[C@H](C(=O)N1CC#CCCl)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 1614664943 BFUUQTVOSRVARH-ZTABQDSOSA-N 456.367 3.675 50 10 JHGE CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Br)cc2Cl)c1 1617609735 RQCFSIBSDCJSQP-LLVKDONJSA-N 454.708 3.925 50 10 JHGE CC(=O)N[C@H](C(=O)NNc1ccc(Br)cc1F)c1cccc(Br)c1 1631046362 SPCZXJGVPWPGGQ-HNNXBMFYSA-N 459.113 3.671 50 10 JHGE CCOC(=O)Cc1cc(OC(F)(F)F)c(CBr)nc1I 1848387669 MVGUKOKEBBXBMT-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE Cc1ccc(SCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865845117 JMVVDMXUODNOIH-INIZCTEOSA-N 484.647 3.611 50 10 JHGE CCOC(=O)c1c(NC(=O)c2ccc(B(O)O)cc2)sc(C)c1-c1ccc(Br)cc1 1866097734 VDARSKISNWDMKT-UHFFFAOYSA-N 488.168 3.595 50 10 JHGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1OC 1872744445 SELAGNJQTBDMAN-ZPHPHTNESA-N 471.560 3.907 50 10 JHGE BrC[C@@H]1C[C@@H]2CN(c3ncc(I)cc3Br)C[C@@H]21 1909171854 COXLCGUCSSRJIQ-QXFUBDJGSA-N 471.962 3.916 50 10 JHGE C=C(Br)CN(C)S(=O)(=O)c1ccc(CBr)cc1Br 2059315016 SZEXVJAYQZMFQN-UHFFFAOYSA-N 462.001 3.873 50 10 JHGE O=S(=O)(NCC1CC(Br)C1)c1cc(Br)ccc1Br 2076167111 IHOHVOFPQVNOJN-UHFFFAOYSA-N 462.001 3.663 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC[C@H](OCCBr)C1 2109128136 MVSZPMZPRWIXIR-JTQLQIEISA-N 458.521 3.571 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@]1(C)CNC(=O)OC(C)(C)C 2163052628 GAQZMFHJQXFUKH-LIRRHRJNSA-N 461.422 3.753 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[C@H]1Br 2221693360 OTIAKLPXEFFCHM-NWANDNLSSA-N 476.209 3.785 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCC[C@@H](OCCBr)C2)c1 2240923880 JUHLEEHQSPHYLF-GFCCVEGCSA-N 452.130 3.616 50 10 JHGE COc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccccc1C(N)=O 2297616752 RYILJAQDZORPQV-UHFFFAOYSA-N 485.496 3.690 50 10 JHGE O=C(CNC(=O)c1cccc(F)c1)NN=Cc1ccc(-c2ccc(I)cc2)o1 2297635487 VIOHXZOHJABEAC-UHFFFAOYSA-N 491.260 3.570 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2O[C@H]3CC[C@H]2C3)CC1 2307433746 DWACIFGUMOAVHY-KKUMJFAQSA-N 451.345 3.775 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3cccs3)cc2)c1 2313620184 ULNBLMSJJRTXQN-UHFFFAOYSA-N 464.572 3.658 50 10 JHGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2321121816 QLJCQGGXFPAECA-UHFFFAOYSA-N 471.542 3.962 50 10 JHGE CCOc1ccc(C=NNC(=O)c2cccn(Cc3ccccc3)c2=O)cc1Br 2323640993 LWAUORYSLLUXHF-UHFFFAOYSA-N 454.324 3.822 50 10 JHGE COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 3081093 PWYHEQKSJJHSSX-UFWORHAWSA-N 487.104 3.658 50 10 JHGE C/C(=N/NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1cccc(OC(F)F)c1 33504672 DNVLZJQBCXLQAR-NAHYFOQLSA-N 465.522 3.538 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825274 QDZLKXGSYVSRLJ-NLRVBDNBSA-N 461.547 3.690 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)c(OC)c1 40878078 UJEKHBONQJCWGO-WOJGMQOQSA-N 472.925 3.619 50 10 JHGE CCOc1ccccc1C=NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254516467 VRTKPYFBVVHDSS-AVRXXWGGSA-N 457.486 3.735 50 10 JHGE CCOc1ccc(C=NNC(=O)c2ccoc2C)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254709030 ZUVWMQCSMDVROM-RTWAWAEBSA-N 474.561 3.532 50 10 JHGE CC(C)(C)C(=O)N1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 914503164 AYBCIZZURXBBGH-XDJHFCHBSA-N 478.984 3.741 50 10 JHGE Cc1ccc([C@@H](CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)N2CCOCC2)cc1 918655136 DTYUBVKRZLRMQL-NTWBUQQASA-N 494.599 3.869 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)C(C)(C)C)nc2scc(-c3ccccc3)c2c1=O 1559330609 IDCQCVHCSINJNG-UHFFFAOYSA-N 456.593 3.597 50 10 JHGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@@H](Br)C(F)(F)F)C1 1955942728 CMWOUMPXFMYSNQ-OAHLLOKOSA-N 467.326 3.796 50 10 JHGE CC1(C)CC(CBr)(CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2102083642 DQSNWRLOVASMLX-UHFFFAOYSA-N 485.444 3.574 50 10 JHGE C[C@H](Cl)[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CCO1 2117535224 YFIXGEQKLAAPDA-UFBFGSQYSA-N 458.521 3.522 50 10 JHGE BrC[C@H]1CCC2(CN(c3ncc(I)cc3Br)C2)O1 2315119929 SFSMWXJVRHXFAE-SECBINFHSA-N 487.961 3.581 50 10 JHGE CCN(CC)Cc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325904359 ZFKSUMOYFZJOLP-QGZVFWFLSA-N 465.623 3.575 50 10 JHGE CC(C)(CI)CN1Cc2ccccc2C[C@@H]1CNC(=O)C(F)(F)F 2326673694 VEKSAQUKYNJRQY-CQSZACIVSA-N 454.274 3.553 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CCCC[C@@H]1CBr 2364228826 RKUWUWCGQIRAIW-BDAKNGLRSA-N 472.019 3.876 50 10 JHGE COCCOC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(I)cc2)c1C 3233863 JACAOFORWFNTAZ-WJDWOHSUSA-N 450.276 3.795 50 10 JHGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1 20922847 FNIHGFBFPRIJRZ-UHFFFAOYSA-N 476.537 3.572 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38653533 KLFYARRSFARQMZ-QHCPKHFHSA-N 488.412 3.706 50 10 JHGE N#CC(C#N)=C1Nc2ccccc2N=C1[n+]1cccc(NC(=O)c2ccc(Br)o2)c1 103441796 PQSJYIUXIYCEKQ-UHFFFAOYSA-O 460.271 3.887 50 10 JHGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OC 206500425 BUEWHTDHNPQRFJ-UENQDFQESA-N 450.491 3.763 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(C(=O)OC(C)(C)C)CC1 217241321 UBZUMYBUFMHHHV-ZCXUNETKSA-N 456.543 3.542 50 10 JHGE COC(=O)c1cccc(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)c1 217254353 LYOQWBVNFNAEQW-KAMYIIQDSA-N 461.259 3.844 50 10 JHGE CO[C@@]1(CCl)CCCN(C(=O)c2cc(I)ccc2Br)C1 401527257 GLHDUHIMTMXLHC-CQSZACIVSA-N 472.548 3.914 50 10 JHGE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Br)cc1Cl 728870598 RZFOJRCMIRIEQH-QGZVFWFLSA-N 499.768 3.527 50 10 JHGE CC(C)C(=O)NC1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 915869216 CEZKLQODVAQCTN-RGEXLXHISA-N 478.984 3.787 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)O[C@H](C)c2ccc(F)cc2F)cc1 918948798 CVASXILHTFSVTM-QAEAHILHSA-N 480.471 3.924 50 10 JHGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccccc1Cl 1084087129 KNPJIRBIVFZXKY-UHFFFAOYSA-N 471.985 3.829 50 10 JHGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1C#N 1084401848 YVSOPFQWHVRGRL-UHFFFAOYSA-N 483.868 3.759 50 10 JHGE O=C(CSCC(=O)Nc1ccccc1)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1084440976 FRNUZRCYESPQJO-UHFFFAOYSA-N 492.513 3.636 50 10 JHGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 1084573182 QXBZXHHGLSKBDC-UHFFFAOYSA-N 470.957 3.565 50 10 JHGE Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)NNC(=O)COc1ccc(C#N)cc1 1087382452 JXAYPJLCWOECNK-KHPPLWFESA-N 484.343 3.658 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(F)c(Br)c1 1187022988 XNHQQOPTVRQWMH-UHFFFAOYSA-N 489.454 3.773 50 10 JHGE C=CC[C@@]1(C(=O)NNC(=O)c2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)C 1347893614 XJWAUFHDDOWMEN-FQEVSTJZSA-N 452.349 3.556 50 10 JHGE CCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 1860396239 JRSJBLFACDRNFP-NSHDSACASA-N 456.282 3.919 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc(OC)c1O 1865714421 JVLYNGCKUMOMBC-HXUWFJFHSA-N 470.888 3.973 50 10 JHGE COc1ccc(-c2nc(CC(=O)N[C@@H](C)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866673195 FIBWCLLVSHXEFU-AWEZNQCLSA-N 450.520 3.918 50 10 JHGE O=C(NC[C@]1(CCl)CCCO1)c1ccc(I)c(Br)c1 1879595676 MPERGGNLEJHUJF-CYBMUJFWSA-N 458.521 3.572 50 10 JHGE CCn1cc(Br)cc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2061267510 FDLYYIYHIXLWKT-UHFFFAOYSA-N 452.440 3.906 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@H]2CCC[C@@H]21 2162588142 BSALJYMACXWELA-IKGGRYGDSA-N 459.406 3.648 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(CC2(CBr)CCOCC2)CC[C@@H]1C(F)(F)F 2163059524 UKCVUQUEQQQWNW-KBPBESRZSA-N 459.347 3.956 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1cc(Br)ccc1Br 2178908085 UXYOVCSAYAKBCF-WDEREUQCSA-N 469.015 3.751 50 10 JHGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179791856 XKZJRMRAHPEPQN-HDICACEKSA-N 469.832 3.987 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2179825247 FIQRBHNPUVCLOZ-UWHLTILDSA-N 455.462 3.866 50 10 JHGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 2179825340 GFWJVCNNFIBURU-UHFFFAOYSA-N 473.820 3.750 50 10 JHGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1 2179860419 RGENOILMATZYHY-SFHVURJKSA-N 452.418 3.613 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCCI)C2(CCOCC2)C1 2220219085 XIMHTVRJGGKBFT-INIZCTEOSA-N 466.404 3.988 50 10 JHGE CCOC(=O)[C@@H]1C[C@H](I)[C@@H](OC2CCN(Cc3ccccc3)CC2)C1 2259462528 ILRATIYCPRYVDQ-NEWSRXKRSA-N 457.352 3.813 50 10 JHGE Cc1csc(C(C#N)=C(O)CN2C(=O)c3ccccc3N3CC(=O)C(c4nc(C)cs4)=C23)n1 2297747639 MFWQAKGQWCTUHW-UHFFFAOYSA-N 475.555 3.923 50 10 JHGE O=C(N[C@@H](CCCl)COCc1ccccc1)c1cc(I)ccc1O 2303698873 BPXMMLXXMNVYDM-HNNXBMFYSA-N 459.711 3.941 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@@H](CBr)C[C@H]2CCCC[C@H]21 2358970048 LRLFJEASYKZJKH-GPMSIDNRSA-N 497.455 3.667 50 10 JHGE Cc1nc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])sc1C 40649997 WVTDNGZIWZYGJK-UHFFFAOYSA-N 464.305 3.721 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](CBr)C1 232483625 IECONUDMWJOPAQ-QMMMGPOBSA-N 472.946 3.911 50 10 JHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(F)cc3)cc2)cc1 254853090 DDWYXYYPPSBFAJ-UHFFFAOYSA-N 463.465 3.923 50 10 JHGE CC(=O)N1CCc2cc(C(=O)NNc3c(Br)cccc3Br)ccc21 1296998563 JTRTXWBJYSREHS-UHFFFAOYSA-N 453.134 3.878 50 10 JHGE COc1ccccc1C(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858666372 WDESNBLVNLGXBL-UHFFFAOYSA-N 496.570 3.709 50 10 JHGE Clc1ccc(I)cc1CO[C@@H]1COC[C@H]1I 1904936713 QPSDJVSNFSZJHK-GHMZBOCLSA-N 464.468 3.664 50 10 JHGE COc1ccccc1NS(=O)(=O)c1ccc(NNC(=O)C=Cc2cccs2)c([N+](=O)[O-])c1 2053512963 FGLONGHIMHSEDZ-UHFFFAOYSA-N 474.520 3.622 50 10 JHGE CCCN1CC[C@H]([C@H](Br)c2cccc(I)c2)S1(=O)=O 2089533982 CNHYHSOASCSJJN-CHWSQXEVSA-N 458.159 3.541 50 10 JHGE O=C(NC[C@H](NS(=O)(=O)c1ccc(CBr)cc1)C(F)(F)F)OCc1ccccc1 2106303848 YWVOWFZWTREEBN-INIZCTEOSA-N 495.317 3.717 50 10 JHGE Cc1cc(S(=O)(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)sc1CBr 2132370027 RZIZXRJYMONIQY-IAGOWNOFSA-N 455.443 3.846 50 10 JHGE C[C@H](Cl)C[C@@H]1CCCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2164503269 UHODJQKMCXUSLO-CKJXQJPGSA-N 458.983 3.603 50 10 JHGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CCC[C@@]2(CBr)CCCC[C@H]12 2165244761 SZACYUROBSFYFU-VQTJNVASSA-N 457.434 3.552 50 10 JHGE COC(=O)C[C@H](NC(=O)OC(C)(C)C)c1csc(N(C)C[C@H]2C[C@@H](Br)C2)n1 2198608993 AAYQTGRAKSUXNF-XQQFMLRXSA-N 462.410 3.882 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CC[C@@H]2CBr)cc1Br 2225383685 CFVUMATVZHVZFL-KCJUWKMLSA-N 476.028 3.972 50 10 JHGE O=C(c1cc(I)sn1)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2232024501 LGXRZWWVNGEHGC-ATZCPNFKSA-N 455.159 3.916 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CCO[C@]2(CCl)C1 2239904578 RAKMIGFOLOYWKS-YMTOWFKASA-N 470.532 3.524 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240732949 LRLFJEASYKZJKH-BXWFABGCSA-N 497.455 3.667 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H]1C[C@H](Br)C1 2263362247 DSDLTVCBZMZWCB-RBSFLKMASA-N 476.209 3.927 50 10 JHGE Cn1ncc(-n2c(CCCl)nc3cccc(Br)c32)c1I 2280050458 KLYOOXGQXXHKPT-UHFFFAOYSA-N 465.520 3.907 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2OCC[C@@]2(CBr)C1 2296378095 OGYHMEQHTZZOBE-TZMCWYRMSA-N 470.532 3.571 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(CCOCCI)C2)C1 2306802850 SOHCNDLWTQCXOC-GOSISDBHSA-N 452.377 3.551 50 10 JHGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2)cc1OCC 2314777519 ILEJLHCSBMIMOA-UHFFFAOYSA-N 464.518 3.772 50 10 JHGE O=C(Oc1ccc(C=NNC(=O)c2cccn(Cc3ccccc3)c2=O)cc1)c1ccccc1 2323641884 NKICYXCCXDYLAG-UHFFFAOYSA-N 451.482 3.880 50 10 JHGE N#CC(=CNCc1ccc2c(c1)OCO2)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599131 CAMYOGAVVUFSPM-UHFFFAOYSA-N 480.568 3.846 50 10 JHGE CC(C)(CCl)[C@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364216254 ZFPAEOPDXOAVKB-LJQANCHMSA-N 455.020 3.902 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2365587439 XNPMLDCBPDDZTK-YMTOWFKASA-N 470.532 3.713 50 10 JHGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccccc1OCCOc1ccccc1 14040578 QEAZMLLVCPBNOV-UHFFFAOYSA-N 481.936 3.978 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1C 33376350 RZAUXXSTGJZYRG-WOJGMQOQSA-N 491.456 3.713 50 10 JHGE CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C/Nc1ccc(Cn2cncn2)cc1 103519660 ATJNCSVQTINPRY-ZVHZXABRSA-N 477.528 3.555 50 10 JHGE CCCOc1c(OCC)cc(/C=N\NC(=O)Cc2ccc3nc(N)sc3c2)cc1[N+](=O)[O-] 169917159 DNISQHNSQQMQSB-FMCGGJTJSA-N 457.512 3.667 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3n2C)ccc1OCC(=O)N(CC)CC 169925947 WIHDNZVAKMJJRX-WGOQTCKBSA-N 450.539 3.588 50 10 JHGE O=C(CNS(=O)(=O)c1ccccc1)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254873800 RZOOKBYIUHKJNN-UHFFFAOYSA-N 491.544 3.987 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(-c2ccccc2)n1 918679601 CKFYFQRGXFWOBG-CLCOLTQESA-N 480.572 3.884 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084184187 YRYHXBPFTICCKN-LZYBPNLTSA-N 459.296 3.730 50 10 JHGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)c(Cl)nc2c1 1084482013 VTXJNMAUZNMHID-UHFFFAOYSA-N 495.388 3.775 50 10 JHGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711989 MYDVILUBDHUJJE-OAQYLSRUSA-N 479.880 3.791 50 10 JHGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1865759798 SOHOYVJMBZEFNJ-OAHLLOKOSA-N 474.508 3.743 50 10 JHGE O=C(NC[C@@H](Br)CBr)c1ccc(Cl)cc1I 1901576310 IBSLONDQHKELKK-LURJTMIESA-N 481.353 3.833 50 10 JHGE Cc1sc(-n2c(C)nc(I)c2I)nc1CCl 1981432116 KHRLPYIXIIIOMZ-UHFFFAOYSA-N 479.512 3.894 50 10 JHGE CCOc1cc(C=C(C#N)C(N)=O)cc(I)c1OCc1ccccc1C 2053623443 YTPZAVZUKGGOBC-UHFFFAOYSA-N 462.287 3.970 50 10 JHGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)C1 2115613287 ITUMNCNWJBYBQQ-MWDZTHCESA-N 451.427 3.868 50 10 JHGE COC1(CBr)CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 2157305194 YSFVLUVUAQGSIA-UHFFFAOYSA-N 467.994 3.540 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2162592510 VHNAJVIPCDZHQT-CVEARBPZSA-N 461.422 3.943 50 10 JHGE O=S(=O)(c1ccc(CCBr)cc1)N1CCCN(Cc2ccccc2)CCC1 2179788398 BTYMHOXVBXALIJ-UHFFFAOYSA-N 451.430 3.911 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCCOCCOCCOCc2ccccc2)C1 2211319736 KULFDSOEYBGIKM-WOJBJXKFSA-N 488.419 3.636 50 10 JHGE COCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(I)ccc1Cl 2272638783 ITLPDPBTDPHEHX-ZWKOPEQDSA-N 461.521 3.891 50 10 JHGE C[C@@H](Br)[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)CCO1 2295312504 YHFPMDMGMLKBMJ-NOZJJQNGSA-N 469.999 3.765 50 10 JHGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 2296848639 OBMGWJGJQZVFKF-UHFFFAOYSA-N 489.601 3.757 50 10 JHGE C[C@H](NC(=O)C(C#N)=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C12CC3CC(CC(C3)C1)C2 2318469954 ZWNAKJWWCUGGCV-DLHGZHJBSA-N 476.621 3.661 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(CCOCCI)C1 2326653737 JPEGPYZQDWQXEH-MRXNPFEDSA-N 460.356 3.784 50 10 JHGE NNC(=O)c1coc(CSc2cc(I)ccc2Br)c1 2338330750 KRKXMMSAVFFBPA-UHFFFAOYSA-N 453.099 3.543 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CCC[C@@H](Br)C1 2338691255 QAGOIQBHJHGNHN-JGVFFNPUSA-N 457.992 3.629 50 10 JHGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C[C@]1(CBr)CC1(F)F)C2 2351892064 LCWKKGQZORGDQN-MRXNPFEDSA-N 452.365 3.946 50 10 JHGE Cc1cc(Br)c(Oc2cc(B(O)O)c(Cl)cn2)cc1NC(=O)OC(C)(C)C 2370447446 JZWUJYIACUCLKP-UHFFFAOYSA-N 457.517 3.625 50 10 JHGE COc1ccc(C)cc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 40684431 ASRGZKVNJHVQBC-UHFFFAOYSA-N 463.325 3.948 50 10 JHGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 59878210 ZAFWRKHVQQCNDL-HNNXBMFYSA-N 473.986 3.784 50 10 JHGE C[C@H](Br)c1cnnn1CC(=O)Nc1ccc(Br)cc1Br 394252753 VJIPDCILRAMXQV-ZETCQYMHSA-N 466.959 3.898 50 10 JHGE O=C(CCCc1ccccc1)NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 727845333 LDBAYRYEUDCHPQ-QFIPXVFZSA-N 454.958 3.851 50 10 JHGE CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 914469775 GZTHBMZPNGDNKT-XQNSMLJCSA-N 478.556 3.922 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(-c2ccccc2)n1 914471456 BPXTVGNGLDGNQY-FXBPSFAMSA-N 497.534 3.886 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OC)cc2OC)cc1 1084651101 NSZLMMSZXKHKMR-GOSISDBHSA-N 465.344 3.829 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)cc1 1670633281 FVZLTAXMNLPQAQ-OAHLLOKOSA-N 455.902 3.657 50 10 JHGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3Cl)c(C)c21 1772748943 HNFUECMCSIRDPW-UHFFFAOYSA-N 468.897 3.688 50 10 JHGE COc1ccc(OC)c(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)c1 1858682587 ZQYVSYRETVRYFM-UHFFFAOYSA-N 468.422 3.635 50 10 JHGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3sc(Cc4ccccc4)nc3C)cc2C1=O 1865845848 VTAXMNOQVNFLTH-AWEZNQCLSA-N 476.558 3.512 50 10 JHGE N#C/C(=C\c1ccccc1)C(=O)N1CCN(c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 1868113534 NMLMPPBTNUOUSQ-ZBJSNUHESA-N 478.618 3.553 50 10 JHGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Nc4ccccc4)cc3)C2)C1 1872961603 MFXRMQVBZZGWAO-LEWJYISDSA-N 498.587 3.560 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNCC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1903322159 KBMOEHLONYJFBS-MRXNPFEDSA-N 465.682 3.508 50 10 JHGE CC1(C)CC[C@@H](Cl)[C@H](CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1927052274 AGUFHHROGSLHGM-QFBILLFUSA-N 455.020 3.806 50 10 JHGE O=S(=O)(N[C@H]1C[C@@H](CBr)C1)c1cc(Br)ccc1Br 2029577766 VRYCCYGPNKOVKB-OTSSQURYSA-N 462.001 3.663 50 10 JHGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NCC2(CBr)CCOCC2)CC1 2106783724 CDVZWUAJWLFMKG-AREMUKBSSA-N 453.443 3.675 50 10 JHGE C[C@@H]1CO[C@H](CCl)CN1C(=O)c1ccc(Br)cc1I 2142285627 RYKNGAJOEICGQT-PSASIEDQSA-N 458.521 3.522 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1CC[C@@](CBr)(C(F)(F)F)C1 2167689258 DKGXMSOVOUSZIL-VIFPVBQESA-N 457.131 3.849 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2ccc(Cl)c(I)c2)[C@@H]1Br 2268352024 MZCMDQXNAKOLPC-QWRGUYRKSA-N 458.521 3.615 50 10 JHGE CC(C)[C@H]1C[C@](NC[C@H]2C[C@@H](Br)C2)(C(=O)O)CN1C(=O)OCc1ccccc1 2324779234 JLXYZKVPKMXLOZ-BMQTXXJKSA-N 453.377 3.640 50 10 JHGE Clc1ccc(CN2C[C@H]3OCC[C@]3(CBr)C2)cc1I 2337221074 KHCMASZYVUVVQV-KGLIPLIRSA-N 456.549 3.930 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)CC(C)(C)C 2338670454 QGMHEGXSGFTQKT-ZETCQYMHSA-N 460.008 3.875 50 10 JHGE COC[C@](C)(CBr)CNC(=O)c1ccc(Cl)cc1I 2340063930 MXZOHGIPIYXWRW-CYBMUJFWSA-N 460.537 3.722 50 10 JHGE O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 12502766 AGRBGVKRQVMEFK-UHFFFAOYSA-N 468.922 3.716 50 10 JHGE O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(I)cc1 15777374 VSJFMYOUSFOIHE-HIXSDJFHSA-N 481.293 3.972 50 10 JHGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 33422115 SBYKMWIPXBUGGY-HKWRFOASSA-N 459.483 3.834 50 10 JHGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 38650017 UGIVTOBJGDQACC-XMMPIXPASA-N 473.441 3.806 50 10 JHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812566 HFWXCWSJEGZWOM-LGUFXXKBSA-N 456.974 3.878 50 10 JHGE CCc1cc(C)cc(OCC(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 59249765 DNKIKMVQWDAGSW-UVHMKAGCSA-N 477.517 3.890 50 10 JHGE CCN(CC)Cc1ccc(C(=O)NNC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)o1 109971285 ITHHJWYXIZCEPH-XYOKQWHBSA-N 452.486 3.922 50 10 JHGE O=C(NC1(CBr)CC1)c1cc(Br)ccc1I 232475850 BKCHBLLJDCNEHK-UHFFFAOYSA-N 458.919 3.711 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(F)cc3)cc2OC)cc1 254440325 GPXXHUYOMRBDMK-UHFFFAOYSA-N 466.465 3.981 50 10 JHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc1 254788290 LSZPEDFQKSXNNF-UHFFFAOYSA-N 465.531 3.636 50 10 JHGE CC(=O)[C@@H]1CC(C(=O)NNc2nnc(-c3ccccc3)n2-c2ccccc2)=NN1c1ccccc1 725883510 DNTDOACPTOJYLW-QHCPKHFHSA-N 465.517 3.601 50 10 JHGE CCOC(=O)[C@H](CC)C(C)=NNC(=O)COc1ccc(Br)cc1Br 1084155398 DIOKSLYDGRKKPN-GFCCVEGCSA-N 464.154 3.672 50 10 JHGE C=CCn1nc(C)c(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccccc3)n2CC=C)c1C 1084647709 NTEWKXDLLWFPDE-LJQANCHMSA-N 478.626 3.706 50 10 JHGE O=S(=O)(CCCCCl)Nc1ccc(Br)cc1I 1195559100 XLMOPDYHJGBZTI-UHFFFAOYSA-N 452.539 3.814 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nc(COc3ccccc3)cs2)cc1 1467100019 LYKNVHZEWVSFPW-OAHLLOKOSA-N 454.508 3.545 50 10 JHGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)Nc1cccc(Cl)c1 1860770856 AGUDBQZUDYEELQ-UHFFFAOYSA-N 453.911 3.631 50 10 JHGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711509 AGCNTFBRTFHEFX-QFIPXVFZSA-N 473.489 3.781 50 10 JHGE CN(CC1CC(Br)C1)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1991471627 SQBMSFVGKWKTKH-ABHNRTSZSA-N 483.403 3.645 50 10 JHGE O=C(N[C@@H]1CN(C(=O)OCc2ccccc2)CC12CCC2)N1CCC(Br)CC1 2044175451 JDEJOBNUSYJDEW-GOSISDBHSA-N 450.377 3.747 50 10 JHGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2C1CCN(C(=O)OC(C)(C)C)CC1 2105848660 POJKAPXDFDBBGO-FTXHTYHOSA-N 479.355 3.549 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2121592863 NVQFEJOKBMHTKF-BHNWBGBOSA-N 474.012 3.755 50 10 JHGE O=C(c1cc(Br)ccc1I)N1[C@H](CCl)C[C@H]2OCC[C@@H]21 2146699851 RUQCANIGHGOBRP-TVYUQYBPSA-N 470.532 3.665 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2NS(=O)(=O)c2ccc(CBr)cc2)C1 2162588153 BVGBXYFYTKYTLX-USXIJHARSA-N 459.406 3.505 50 10 JHGE FC(F)(F)c1cnc(N2CC(OCCCBr)C2)c(I)c1 2206946379 JSDSWUNAVAXPFK-UHFFFAOYSA-N 465.051 3.695 50 10 JHGE CC(C)(C)OC(=O)N1CC(N(CCCCCI)CC2CCOCC2)C1 2220216792 NEVSFKSNOQVJRU-UHFFFAOYSA-N 466.404 3.940 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296378396 RAQQERJUCQUSGH-GXTWGEPZSA-N 467.983 3.838 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CCCl)COCc1ccccc1 2303705397 IAZJNPOSZWCYQC-LBPRGKRZSA-N 479.600 3.889 50 10 JHGE CC(C)(CI)CN1CCN([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 2326664479 GHOQNVGNLXZIRW-HZPDHXFCSA-N 465.420 3.511 50 10 JHGE Cc1cc[n+]([C@@H]2[C@@H](c3ccc(Br)cc3)C(C#N)=C(C(C#N)C#N)N[C@@]2(O)C2CC2)cc1 23203341 UXXQGELQYWLOII-QPTUXGOLSA-N 475.370 3.513 50 10 JHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] 40586668 SUJBKBJWCGXFMJ-UHFFFAOYSA-N 460.406 3.924 50 10 JHGE C=CCOc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 58889642 GFSSUZGRQURALG-QWQBBLJPSA-N 464.303 3.820 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)cc1 58893910 FRMBRTLVRWCTSM-VPCUTTBHSA-N 483.348 3.908 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618909 VDLXNYNNGMMTRN-TWKHWXDSSA-N 499.502 3.821 50 10 JHGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccccc1C(N)=O 207530908 RYILJAQDZORPQV-PDGQHHTCSA-N 485.496 3.690 50 10 JHGE Cc1cc(S(=O)(=O)NCCCCCI)sc1Br 229236502 AUDYRSHJRTVHNB-UHFFFAOYSA-N 452.177 3.703 50 10 JHGE C#CCOc1c(C=NNC(=O)c2ccc(Br)cc2)cc(Br)cc1OC 252628565 STAGBRIZXXVHSV-UHFFFAOYSA-N 466.129 3.996 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccco3)n2-c2ccccc2)cc1OC 254863098 GYEJOUDQDFRYCV-UHFFFAOYSA-N 463.519 3.787 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCOC[C@@H]1CCCl 694887982 JRYGEYVCFUGRDQ-JTQLQIEISA-N 458.521 3.524 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(-c2ccccc2)n1 914462213 BWPQGRJNZDBSNH-QAHUDSGCSA-N 498.562 3.700 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C(=O)O)c1OC 1082753700 ADRBBURFZACXFQ-UHFFFAOYSA-N 465.437 3.557 50 10 JHGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 1084025701 PKQNVPIIJWPYDL-UHFFFAOYSA-N 493.995 3.555 50 10 JHGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@@H]1CCc2c(Br)cccc21 1318220342 GEJNKPRXWDURRO-OAHLLOKOSA-N 453.134 3.843 50 10 JHGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNc1ccc([N+](=O)[O-])cc1Br 1448158849 IZSREJPTBPNEED-UHFFFAOYSA-N 458.272 3.865 50 10 JHGE C[C@@H](C(=O)NNC(=O)c1cc(Cl)cc(Cl)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771017 GMNSKDDBSFRVMU-MNOVXSKESA-N 479.389 3.912 50 10 JHGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCBr)s1 1885142409 QSEBRALEIBJVNJ-MRXNPFEDSA-N 457.459 3.971 50 10 JHGE C[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@H](CBr)O1 2032953014 AZYCWXUSDCPITA-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2123240950 CGXBXGIJMBDSKW-CALCHBBNSA-N 455.443 3.723 50 10 JHGE Cc1cc(C(=O)N(CCBr)CC(F)(F)F)ccc1I 2142105751 FYCIVGTWBNKCRQ-UHFFFAOYSA-N 450.036 3.999 50 10 JHGE Cn1nc(Br)c([C@@H](Br)c2cc(Br)cc3c2OCC3)n1 2226987121 OGSAJMINESHRCG-VIFPVBQESA-N 451.944 3.759 50 10 JHGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)c(O)cc1O 2256016110 CORSNHQCGOWNRF-ZDUSSCGKSA-N 473.161 3.913 50 10 JHGE Cc1cc(B(O)O)ccc1NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2269566452 JVQUULAXRLYYPG-SANMLTNESA-N 486.377 3.567 50 10 JHGE CCC(CC)(CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338837961 UGFVDCYQEIQZOL-UHFFFAOYSA-N 487.460 3.964 50 10 JHGE O=C(NC[C@@]1(CBr)CCCO1)c1ccc(Cl)cc1I 2340055405 SPJQSGLUIDAUNQ-ZDUSSCGKSA-N 458.521 3.619 50 10 JHGE C[C@H]1CCCN(C(=O)c2c(Br)c(Br)nn2C)[C@H]1CCBr 2364012891 DWUJJBCSIPCNDD-IUCAKERBSA-N 472.019 3.971 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)c1 12503495 JAADPIFHWKYDDN-OUKQBFOZSA-N 474.586 3.911 50 10 JHGE CCOC(=O)c1ccc(N2C(=O)/C(=C/NNC(=O)c3ccoc3C)c3ccccc3C2=O)c(Cl)c1 38184040 KZGPQTSPPUQXGK-CPNJWEJPSA-N 493.903 3.881 50 10 JHGE Cc1cc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)nn1-c1ccccc1 107916916 KAEWCKLZNSZUDP-UHFFFAOYSA-N 463.501 3.503 50 10 JHGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 206825539 MXDSGMYIDRZFHN-VKAVYKQESA-N 475.570 3.866 50 10 JHGE N#CCC[C@@H]1CCCC/C1=N/NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 229622934 PLAFHPCVSOWMAE-FGGSVNHKSA-N 483.550 3.756 50 10 JHGE O=C(COc1ccc2c(c1)CCCC2)NCC(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 252602918 FMEDVRBRTFTWMY-UHFFFAOYSA-N 489.547 3.929 50 10 JHGE CCOc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1CC 254713781 PJXPTOIGUXKTBZ-UHFFFAOYSA-N 469.567 3.623 50 10 JHGE COc1ccc(CC(=O)NN=Cc2ccc(OC(=O)c3cccs3)c(OC)c2)cc1OC 254739097 TXOUPBMEWBMQNM-UHFFFAOYSA-N 454.504 3.686 50 10 JHGE O=C(NC[C@@H](Br)C1CC1)c1ccc(I)c(Br)c1 721593856 MLJXVESPRLOLLE-SNVBAGLBSA-N 472.946 3.957 50 10 JHGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(O)c2Cl)c1 1082989169 PDALCWZCBBRBHD-ZSBRMPHNSA-N 479.920 3.984 50 10 JHGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084012766 DNSNFJDRAASPMX-UHFFFAOYSA-N 498.898 3.594 50 10 JHGE COc1cc(C=NNC(=O)CCc2ccc3c(c2)OCO3)ccc1OCc1ccc(C(=O)O)cc1 1084177240 DUZBSLJJKHVINJ-UHFFFAOYSA-N 476.485 3.784 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)c1ccccc1Cl 1084459160 CKTJKWWPPDUCSW-UHFFFAOYSA-N 471.966 3.835 50 10 JHGE C#CCN1CCC[C@H](NC(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 1255362406 DSYGAKAUVAULOG-FQEVSTJZSA-N 456.999 3.674 50 10 JHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1OC 1772720617 UKMFQTBFZVDXRT-UHFFFAOYSA-N 494.416 3.503 50 10 JHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccnc1)CCC2 1772745592 FUUHRPVTQSJTSI-UHFFFAOYSA-N 460.490 3.517 50 10 JHGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)ccc1OCC(=O)N(CC)CC 1865706633 BIGISCPOIKQSSU-XMMPIXPASA-N 495.624 3.966 50 10 JHGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1 1867190123 HYADCDSIYCRJDQ-CYBMUJFWSA-N 464.503 3.638 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cccc(CCl)c1 1999366298 TUBWCCSLWLNKFK-UHFFFAOYSA-N 455.983 3.917 50 10 JHGE O=C(N[C@@H](CBr)C1CC1)c1ccc(Br)cc1I 2026218309 QKQUYKDHCXEMPN-NSHDSACASA-N 472.946 3.957 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)CCO1 2117533373 PEJOKNWIHXDVTL-UFBFGSQYSA-N 455.972 3.836 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2S(=O)(=O)c1ccc(CBr)cc1 2163057026 XQHVMEHDERUDKR-IRXDYDNUSA-N 459.406 3.744 50 10 JHGE CN(C(=O)c1cc(I)ccc1O)[C@H](CCBr)C(F)(F)F 2178516632 YDQVXZHRWBSQBT-SNVBAGLBSA-N 466.035 3.785 50 10 JHGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(CBr)c1 2179775542 MALMPXISDWDUHT-NRFANRHFSA-N 451.430 3.865 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2179865708 WEIJORZLVXPRBW-FXAWDEMLSA-N 452.418 3.585 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCO[C@@H]2C[C@H](Cl)C[C@H]21 2207263543 YVFWDTVKEKUCRT-OASPWFOLSA-N 470.532 3.665 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CCO[C@]2(CBr)C1 2231364263 WRCJDISVIICYBM-JVXZTZIISA-N 474.012 3.899 50 10 JHGE COCCN(C[C@@H](C)Br)C(=O)c1ccc(I)c(Cl)c1 2272460853 VICVJCOQWOTZPS-SECBINFHSA-N 460.537 3.817 50 10 JHGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cncc(CBr)c1 2283109451 HTUHLSCMXNLWFD-ZACQAIPSSA-N 452.418 3.649 50 10 JHGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)C(C#N)=C3Nc4ccccc4N3C)cc2)C1 2297476750 LYMLIPMOFSVQMS-CALCHBBNSA-N 450.564 3.833 50 10 JHGE O=C(NN=Cc1cc(Br)ccc1O)C1=NNC(c2ccccc2)(c2ccccc2)C1 2297672276 ZJYORSHBHDWOHU-UHFFFAOYSA-N 463.335 3.898 50 10 JHGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OCC)c1 2314736096 UMMQWFPOAMUJKB-UHFFFAOYSA-N 469.406 3.899 50 10 JHGE Cc1ncnc(N2CCC[C@H](Br)[C@@H]2C(F)(F)F)c1I 2344083760 GMENATPKEAKCHY-IONNQARKSA-N 450.040 3.684 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)CC12CCCC2 2364006995 MIPYAVXSEHHHAN-MRVPVSSYSA-N 470.003 3.867 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@](NC[C@H]2C[C@@H](Br)C2)(C(=O)O)C[C@@H]1C(F)(F)F 2376561054 PMVHAOUEBHNBEA-AZKPJATDSA-N 459.303 3.535 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1cc2ccccc2cc1O 12569986 FAHLNTUAOZTSHM-LLVKDONJSA-N 478.357 3.955 50 10 JHGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1ccccc1Br 13982125 NBKYLANQPSFBRE-UHFFFAOYSA-N 484.375 3.831 50 10 JHGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCc1ccccc1 14667340 LFRWZNAMQJTFKJ-UHFFFAOYSA-N 478.412 3.752 50 10 JHGE Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c2ccccc21 20900976 XJJASWVWBWEKAX-UHFFFAOYSA-N 482.949 3.707 50 10 JHGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40611765 JEGCJZJWPWSJGN-UHFFFAOYSA-N 477.481 3.509 50 10 JHGE COc1cc(SC#N)ccc1NC(=O)N/C=C1/C(=O)N(Cc2ccccc2)C(=O)C(C#N)=C1C 108820986 VQXJKDFICLTJKF-XDHOZWIPSA-N 473.514 3.683 50 10 JHGE O=C(Oc1ccc(C=NNC(=O)c2cnccn2)c(OC(=O)c2ccccc2)c1)c1ccccc1 254766757 WVKCBFYQXGMJHY-UHFFFAOYSA-N 466.453 3.679 50 10 JHGE COc1cccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1OC 263630516 GJZASIPJQLZDLS-VECKVTLJSA-N 472.545 3.691 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)[C@@H](C)Br)cc1Br 387001877 MECCKILXGBWFJU-SFYZADRCSA-N 464.017 3.970 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)N1CCC(F)(F)[C@@H](CBr)C1 403889675 GAPMFSDBQFZLEJ-QMMMGPOBSA-N 453.168 3.860 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(F)c(F)c1 1084345532 PEJIYZOYGRTFMW-OAHLLOKOSA-N 456.522 3.985 50 10 JHGE COc1cc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)ccc1[N+](=O)[O-] 1614630733 MGHPCIRSNDYPAG-OLZOCXBDSA-N 462.284 3.989 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nc(-c3cccc(Cl)c3)ns2)cc1 1670079818 YMPYXYVDGAHWBX-GFCCVEGCSA-N 459.915 3.681 50 10 JHGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695649 FOZINWIBAMZEGT-GOSISDBHSA-N 482.338 3.915 50 10 JHGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711754 HKTXEAMELVKHCO-JOCHJYFZSA-N 494.467 3.832 50 10 JHGE O=C(c1sccc1I)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924243382 WJFVCJLYXUHYKU-RNCFNFMXSA-N 456.143 3.511 50 10 JHGE Cc1nc(I)c(I)n1-c1ncc(F)cc1CCl 1941547568 YORQDMDVNIGKST-UHFFFAOYSA-N 477.446 3.663 50 10 JHGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)s1 2123242305 UWFNZEFPLFVDCZ-QGZVFWFLSA-N 457.459 3.971 50 10 JHGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NCC2(CBr)CCOCC2)C(C)(C)C1 2132804381 JBQUUHCCPCPUQD-SANMLTNESA-N 453.443 3.675 50 10 JHGE CC1(C)C[C@@](C)(CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2134834549 JVUPXOQPDQSIRB-NRFANRHFSA-N 485.444 3.668 50 10 JHGE Clc1cc(CN2C[C@@H]3[C@H](CBr)CO[C@H]3C2)ccc1I 2142946374 ZYQYEFPWJWYCDQ-GYSYKLTISA-N 456.549 3.786 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 2177853091 ZBFOINSBOMQUAE-UYKLKCEZSA-N 465.531 3.519 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NS(=O)(=O)c3ccc(CBr)cc3)C[C@H]21 2202030879 MLEIPQUSPRGJLW-XOSAIJSUSA-N 459.406 3.552 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2225384771 JUDXIBQVWVQYGK-KXUCPTDWSA-N 455.159 3.773 50 10 JHGE ClCc1nc2cncnc2n1-c1cc(I)cc(I)c1 2226980643 DCCIRNVVLRUDJN-UHFFFAOYSA-N 496.477 3.764 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2240733189 NZELOHBMMWHXJG-UWVAXJGDSA-N 497.455 3.811 50 10 JHGE CN1CC[C@@](C)(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2253325788 CGOJEUQHSADMRJ-MSOLQXFVSA-N 452.377 3.550 50 10 JHGE CC(C)(CBr)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 2290042241 GQASRLJYCLGDFK-FYQPLNBISA-N 455.462 3.580 50 10 JHGE CO[C@]1(C(F)F)C[C@H](CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)C1 2303391176 TWZUIHNLMRQFGE-KNXALSJPSA-N 463.303 3.782 50 10 JHGE CNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(Br)c3)sc2c1 2329699652 TXHPIWCMYVDITK-UHFFFAOYSA-N 477.365 3.513 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCC[C@H]1CCBr 2338678702 GFQJFEYWIWGPDH-YUMQZZPRSA-N 457.992 3.629 50 10 JHGE CC(C)(C)[C@H](CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338838372 WKLMALAVDQUISQ-SFHVURJKSA-N 487.460 3.962 50 10 JHGE Clc1ccc(I)cc1CN1C[C@H]2COC[C@@H](C1)[C@H]2Br 2352431813 LPWIJYBAKMUGKW-GNXNZQSNSA-N 456.549 3.786 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2C[C@H](Br)CC[C@H]21 2364206243 RCUIBYXDJHRQAM-SQGPQFPESA-N 497.455 3.811 50 10 JHGE C=CC[C@@]1(CBr)CCCN1C(=O)c1c(Br)c(Br)nn1C 2364229573 BVMLETJKJMJXPL-ZDUSSCGKSA-N 470.003 3.891 50 10 JHGE O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C[C@H]1COc2ccccc2O1)C(=O)CCl 3039500 JIRKGYSWSLPLCD-CVDCTZTESA-N 460.933 3.833 50 10 JHGE Cn1c(-c2ccccc2)c(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c2ccccc21 3640917 GTIIYPIGYGKDNN-WKULSOCRSA-N 490.527 3.978 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)ccc1Cl 12489783 SVLQWNFBXZVPGI-UHFFFAOYSA-N 455.736 3.633 50 10 JHGE O=C(/C=C/c1cccs1)NNC(=O)COc1ccc(Br)cc1Br 13979345 IQLDZDLQZUXNDY-GQCTYLIASA-N 460.147 3.513 50 10 JHGE CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14014001 MKKFGHNWESPKGS-INIZCTEOSA-N 455.736 3.795 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(Br)c1 14031636 MMONZLUWMNYZPU-OAHLLOKOSA-N 457.324 3.904 50 10 JHGE CCc1cc2c(=O)n(CC(=O)NN=Cc3ccc(OCCc4ccccc4)c(OC)c3)cnc2s1 254857913 HQDILFLFSWEGEM-UHFFFAOYSA-N 490.585 3.801 50 10 JHGE Nc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)ccc1O 382732220 VCLBGFBGZDLSRH-CVEARBPZSA-N 452.292 3.762 50 10 JHGE O=C(NNc1ccc(F)c(F)c1F)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 728718304 GQEQAUNVSWEKJA-UHFFFAOYSA-N 499.898 3.872 50 10 JHGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)c3cccc(Cl)n3)c2)cc1 1557499948 ZDGKQPYDTZXSPZ-UHFFFAOYSA-N 451.910 3.910 50 10 JHGE COc1ccc2c(c1)C(=NNC(=O)COc1ccc(Br)cc1)C(=O)N2CCC(C)C 1772719870 IVDQZPYXBPOHGP-UHFFFAOYSA-N 474.355 3.750 50 10 JHGE CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc(SC#N)cc1 1866872702 ZNRCIYWODUODAM-DYESRHJHSA-N 450.564 3.926 50 10 JHGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1csc(Br)c1Br 2039821160 IDZXONJZWCBOCR-RNFRBKRXSA-N 462.001 3.803 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1CCBr 2090572617 OUZLCXSQZODZKS-QFBILLFUSA-N 485.444 3.716 50 10 JHGE COC[C@@](C)(CCCl)NC(=O)c1cc(Br)ccc1I 2101795400 HYIZEZNGRSQZQE-CYBMUJFWSA-N 460.537 3.818 50 10 JHGE CN(C1CCC(CBr)CC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2114659992 PSNQJTRFVWJIPT-UHFFFAOYSA-N 485.444 3.668 50 10 JHGE CC1(C)C[C@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163050443 JVSBUXKOMKMYMJ-HNNXBMFYSA-N 461.422 3.895 50 10 JHGE C[C@H](CO[C@H](CI)c1ccccc1Br)N1CCOCC1 2186733685 QCQXOEXMISXUFG-IUODEOHRSA-N 454.146 3.663 50 10 JHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1C 2268647141 XLIPTXRKHFPCSE-MRDQGFSESA-N 486.377 3.567 50 10 JHGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cncc(CBr)c1 2283113502 HXIDCHCAHRKXHA-IBGZPJMESA-N 452.418 3.652 50 10 JHGE COc1c(Br)cc(C=NNC(=O)c2ccc(O)cc2)c(OC)c1Br 2323088027 PHLYMLDIAASAKW-UHFFFAOYSA-N 458.106 3.698 50 10 JHGE COc1cc2nc(C(C#N)=Cc3cc(Br)cc(OC)c3O)nc(O)c2cc1OC 2331039610 XXTDQFLLLGQVDJ-UHFFFAOYSA-N 458.268 3.893 50 10 JHGE CC(C)CCN(CCBr)C(=O)c1c(Br)c(Br)nn1C 2338682283 PGMKASAEWOVIMW-UHFFFAOYSA-N 460.008 3.828 50 10 JHGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CCBr 2364206691 VEIMZUDBJVASJV-QGZVFWFLSA-N 499.471 3.916 50 10 JHGE COc1cc(Br)cc(/C=N/NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c1O 1208289 GUKGINCHXKLFPB-LCLGRWFKSA-N 457.280 3.607 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13978094 FLMCYQIRLBDPGR-UHFFFAOYSA-N 482.762 3.927 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 13982230 WSTVYGMQHNNRHC-UHFFFAOYSA-N 452.923 3.542 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1 13986824 DWMNURHCGGGBFK-UHFFFAOYSA-N 462.344 3.726 50 10 JHGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)NCc1ccccc1 14650722 XDEBHQOJQMUMPQ-UHFFFAOYSA-N 490.398 3.732 50 10 JHGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(Cl)cc2I)cc1 32486771 YDQQTBZWZQXAKR-NSHDSACASA-N 488.709 3.572 50 10 JHGE CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2 39918981 SQYSUOPFNXLOBY-SANMLTNESA-N 472.932 3.749 50 10 JHGE Nc1c(NNC(=O)COc2ccccc2)ncnc1Oc1ccc(Br)c2cccnc12 40795292 SLZSYICOKIYYJY-UHFFFAOYSA-N 481.310 3.684 50 10 JHGE CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 59680420 KGOUQAJYQNJOBY-SSDVNMTOSA-N 492.269 3.743 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)NC(C)(CBr)CBr 126514732 MFXZKGPNNIHYKR-UHFFFAOYSA-N 470.046 3.646 50 10 JHGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1cccc(Cl)c1Cl 217129561 USKUBYIKJLFFCY-SSZFMOIBSA-N 459.333 3.886 50 10 JHGE COc1cc(C=NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)ccc1OCc1ccccc1 254380403 OQTZKUVJOUNCIN-UHFFFAOYSA-N 476.558 3.813 50 10 JHGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1 254482913 HHYCKOTYSVOAQX-IBGZPJMESA-N 487.025 3.855 50 10 JHGE O=C1NCCOc2ccc([C@H](Br)c3sccc3I)cc21 380754825 WKGHIGFNTOEZOP-LBPRGKRZSA-N 464.122 3.959 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC(CBr)C1 390086470 GKNVFZCGQUUBNY-UHFFFAOYSA-N 458.919 3.521 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NNc1ccc(F)c(F)c1F 730588173 AYYAYPCYZLVUJD-IBGZPJMESA-N 489.498 3.928 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)N(CC(=O)N(C)C)CC(F)(F)F)c(C)n1-c1ccc(F)cc1 917680442 AUWWZWGKIZCCKK-LICLKQGHSA-N 450.436 3.619 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=C(C)c1cccnc1 1084342412 BFNCYKHJKUKEOR-UHFFFAOYSA-N 455.975 3.757 50 10 JHGE COc1ccc(OC)c(N(CC(=O)NN=C(C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 1084438307 MCFCTIRYGRFYHS-UHFFFAOYSA-N 485.537 3.579 50 10 JHGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)n1 1772747800 PLORWPCPDXKCKM-UHFFFAOYSA-N 461.478 3.851 50 10 JHGE COc1ccc2[nH]cc(/C=N/NC(=O)Cn3cnc4scc(-c5ccccc5)c4c3=O)c2c1 1860773243 TYTPBPUVFQTSLK-LUOAPIJWSA-N 457.515 3.765 50 10 JHGE CCOc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OC 1860773419 YTYQJLJQFFLYNH-UVHMKAGCSA-N 476.558 3.991 50 10 JHGE N#C/C(=C\c1ccccc1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1865910105 QFKAYQKXUSROMK-WWNGRIQCSA-N 468.509 3.955 50 10 JHGE O=S(=O)(c1ccc(Br)cc1Cl)N1C[C@@H](Br)[C@H](Br)C1 2075313770 FTRVLXGEAAGJCH-HTQZYQBOSA-N 482.419 3.634 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@@H]2[C@@H]1CBr 2078298519 NXMCEXPGZGRZKY-DXBFQKDVSA-N 484.957 3.909 50 10 JHGE CO[C@H]1C[C@@H](Cl)CN(C(=O)c2cc(I)ccc2Br)C1 2109019772 BXUSSSDTRKQVRT-SCZZXKLOSA-N 458.521 3.522 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)c1ccc(Br)cc1Br 2112712161 AROLPACPGZYKRW-ZDUSSCGKSA-N 455.972 3.838 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNCc1c(Cl)cccc1S(C)(=O)=O 2181745744 DQZFTLQVEYBRLT-UHFFFAOYSA-N 455.067 3.739 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2C(C(F)F)[C@@H]2C1 2192281059 APFWIFUMCHPWRJ-RNFRBKRXSA-N 451.152 3.537 50 10 JHGE CO[C@@H]1[C@H](OC)CN(Cc2cc(Br)ccc2Br)[C@H]1CBr 2233362416 UOHVKXIKIVHXGC-MJBXVCDLSA-N 472.015 3.821 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1C 2268647143 XLIPTXRKHFPCSE-QLXKLKPCSA-N 486.377 3.567 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NCCCOCCBr 2277929268 RAGLXRDDQHXWSA-UHFFFAOYSA-N 457.988 3.672 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)c1ncccc1CBr 2338992272 SXSQFXDZNNVVKB-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)cc1 10295583 GADVYIOOFZLYBR-OAHLLOKOSA-N 456.568 3.552 50 10 JHGE C/C(=N/NC(=O)COc1ccc(Br)cc1Br)c1cc(O)ccc1O 20115281 YPPJHBJJPJZDMY-OCKHKDLRSA-N 458.106 3.542 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 23738347 XTNVNSPZILWECM-VCHYOVAHSA-N 492.484 3.757 50 10 JHGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 29708835 FIYCEMPCNIJWSP-UHFFFAOYSA-N 470.554 3.977 50 10 JHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2cccc3ccccc23)c1[N+](=O)[O-] 40627242 FBJVIMJOGREITM-UHFFFAOYSA-N 459.422 3.876 50 10 JHGE COc1ccccc1C(=O)NN=C1C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21 254739374 CKGMEZJPSNCBKA-UHFFFAOYSA-N 485.382 3.772 50 10 JHGE COc1cc([C@@H]2c3sc(=S)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)OC(=O)[C@@H]23)cc(OC)c1O 256026832 QXLHBVBPJVIWCW-DPSVOAMNSA-N 477.585 3.716 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(-c2ccccc2)n1 918679603 CKFYFQRGXFWOBG-LYBHJNIJSA-N 480.572 3.884 50 10 JHGE CC(=O)N[C@](C)(C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(C)C 1654120370 KJYXVBDQNRLIBK-DEOSSOPVSA-N 452.942 3.867 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 1873794850 DQSSHSDWMHQLEO-AUEUWSLNSA-N 466.538 3.554 50 10 JHGE CN(CC(=O)Nc1ccc(Br)cc1Br)C[C@H]1C[C@@H]1Br 1887907474 GNDHCENOVOMAOL-SCZZXKLOSA-N 454.988 3.865 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)C(F)(F)C1 2034594682 BXEIGEAQBWWAEE-VIFPVBQESA-N 494.899 3.908 50 10 JHGE Cn1nnc(Br)c1COc1c(F)cc(Br)cc1CBr 2089735257 UUZCDVNQWAYZIR-UHFFFAOYSA-N 457.923 3.953 50 10 JHGE CCC[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2140772550 WOATVSWXPZKFNF-IAGOWNOFSA-N 485.444 3.526 50 10 JHGE COCCN1C[C@@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)C1 2142938201 XBCKQCCCNAOLMI-VXGBXAGGSA-N 458.565 3.829 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201751037 MTIXGSWMGMHJSG-YMTOWFKASA-N 467.983 3.980 50 10 JHGE CC(C)(C)OC(=O)NC1C[C@H]2COC[C@@H](C1)C21CCC[C@@H](CI)O1 2249327752 MXBLOYCOCPMASL-ICEFOOHZSA-N 451.345 3.679 50 10 JHGE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1ccc(C(=O)NN)cc1Br 2288742792 YVVUATAKGJNWBM-MLGOLLRUSA-N 458.422 3.931 50 10 JHGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 2295914166 BRQGIADUAFIHKE-UHFFFAOYSA-N 498.586 3.600 50 10 JHGE CCOc1cc(C=NNC(=O)c2cc3ccccc3n2C)ccc1OCC(=O)N(CC)CC 2323725784 WIHDNZVAKMJJRX-UHFFFAOYSA-N 450.539 3.588 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N(CCCBr)C1CCC1 2338691126 OUIQGRCBRYICOL-UHFFFAOYSA-N 457.992 3.725 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@H](CBr)C(C)(C)C 2338859023 AUVHZGDRMSEJTR-SSDOTTSWSA-N 460.008 3.827 50 10 JHGE CCN1CC[C@@H]([C@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2340027972 VBXGQAMYPJQOTK-NWDGAFQWSA-N 478.577 3.805 50 10 JHGE Cn1cc(C(=O)NNC(=O)c2ccc3c(=O)n(-c4ccccc4F)c(=S)[nH]c3c2)c2ccccc21 10736692 YCAFDMOFTSCYBU-UHFFFAOYSA-N 487.516 3.754 50 10 JHGE CCCCOc1ccccc1C(=O)NNC(=O)c1ccc(OC)c(I)c1 14032075 OTBWAOCIPNGESL-UHFFFAOYSA-N 468.291 3.554 50 10 JHGE Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 14563265 WBTOMHNSECUVMB-UHFFFAOYSA-N 486.391 3.554 50 10 JHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1 14776545 FORFYCUTQOZGBO-UHFFFAOYSA-N 452.580 3.936 50 10 JHGE COc1ccc(C=NNC(=O)c2cc(Br)ccc2O)cc1Cn1cc(Cl)cn1 15985415 QCAGTQLEIZURSH-UHFFFAOYSA-N 463.719 3.825 50 10 JHGE aggregator C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H](CBr)O1 235646043 SAQYUJXKNCMRBY-UFBFGSQYSA-N 455.972 3.836 50 10 JHGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]21C 575448766 DMKSVUSAATWOCU-FUQPSBOXSA-N 466.958 3.917 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=C(C)c1cccs1)S(=O)(=O)c1ccccc1 725429794 JIZMSVZLAQFCKE-UHFFFAOYSA-N 457.577 3.883 50 10 JHGE CCOc1ccc(OCC)c(NC(=S)NNC(=O)c2nn(-c3ccc(Cl)cc3)cc2O)c1 726896560 HXQBWWLHRUTQAK-UHFFFAOYSA-N 475.958 3.660 50 10 JHGE Cc1csc([C@@H](C)NC(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)n1 727942592 ROURIHIZBVOYDM-CYBMUJFWSA-N 493.998 3.611 50 10 JHGE CC(=NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cc2cc(Br)ccc2o1 916306088 LHCSPJNNWRMCOR-UHFFFAOYSA-N 464.341 3.600 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc(OC)ccc1OC 1084059925 ARYJMISCBGLRDC-KRWDZBQOSA-N 480.594 3.724 50 10 JHGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 1084390784 DOAYZEPWVNTGFQ-UHFFFAOYSA-N 451.454 3.511 50 10 JHGE CC(=O)CCc1ccc(O[C@H](C)C(=O)NNc2cc([N+](=O)[O-])ccc2Br)cc1 1306839312 KBNIRQIBNPQHJP-CYBMUJFWSA-N 450.289 3.790 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2c[nH]cc2-c2cc(Cl)c3c(c2)OCCO3)c1 1594436893 LOCIMPNTEURMAQ-UHFFFAOYSA-N 452.923 3.719 50 10 JHGE CC(=O)N(C)c1ccc(NC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1623001319 QCQLKWCKODYMJT-UHFFFAOYSA-N 453.326 3.988 50 10 JHGE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)NCCC 1625886287 KQACKDRHTOLWSB-QFIPXVFZSA-N 450.539 3.600 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(Br)c(F)cc2F)cc1 1668869892 HWDIUQXYFRVAKG-JTQLQIEISA-N 456.243 3.550 50 10 JHGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O 1865759802 SQWAQKVNFYTCEH-UHFFFAOYSA-N 492.482 3.662 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@@H]2C[C@@H]2Br)cc1Br 1887909218 ZTSSWBZILBHOBI-WPRPVWTQSA-N 476.028 3.924 50 10 JHGE CC(C)(CI)CN=[S@@](C)(=O)[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 1904650858 KLPBAPDGAIWOHW-XCMOZONUSA-N 458.406 3.849 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2scc(Br)c2Br)C[C@@H]1Br 2067189317 QBCFTOYNIKAVHK-GKROBHDKSA-N 462.001 3.944 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2163292748 UOZLQUUZWXVREP-BQBZGAKWSA-N 457.131 3.705 50 10 JHGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccc(CBr)cn2)CC1 2179808700 LFWNNGISMCPVGM-UHFFFAOYSA-N 452.418 3.509 50 10 JHGE CN(C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1 2179857545 ATTWXYAOMWPJBJ-UHFFFAOYSA-N 454.434 3.861 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](O[C@H]2CCN(Cc3ccccc3)C2)C1 2242036356 KWBQMJBJVRYWEZ-RCCFBDPRSA-N 472.367 3.700 50 10 JHGE Cc1cccc(C(=O)NC[C@H]2CC[C@H](CBr)CO2)c1I 2279408461 OUHCVUYRRQJKHF-VXGBXAGGSA-N 452.130 3.520 50 10 JHGE C[C@@H]1Oc2ccccc2C=C1C=NNC(=O)[C@@H](CC1=CN[C@H]2C=CC=C[C@@H]12)NC(=O)OC(C)(C)C 2297639673 NHFYHSLTEXUUAY-KEIZBESESA-N 476.577 3.834 50 10 JHGE CC(CC(=O)NC(C)(C)C)=NNC(=O)COc1cc(C)c(Br)cc1Br 2297710319 BNPNUUVGEVOXIB-UHFFFAOYSA-N 477.197 3.696 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@H]1CCC[C@H]1Br 2338848890 BEYCUWAJXZWNAI-VQIMIIECSA-N 485.444 3.716 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)c1cccs1 2338851917 IXQFKHOOTGPPEZ-QGZVFWFLSA-N 499.452 3.960 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1ccc(Cl)cc1I 2340061471 OHBUMXRYTOSLEO-WPRPVWTQSA-N 458.521 3.617 50 10 JHGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(Cc1cccc(Br)c1)c1ccccc12 20071546 BYMSSNFHYGUWBE-DEOSSOPVSA-N 494.345 3.795 50 10 JHGE C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(-n2ccnc2)cc1 33683321 RUEHNQKEESKNRO-JLPGSUDCSA-N 465.560 3.889 50 10 JHGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccn1)CCC2 40814347 NZCDXAHAVOAAAF-MTDXEUNCSA-N 460.490 3.882 50 10 JHGE O=C(CBr)c1cc(I)cc(I)c1F 306814876 CCMKBBDHVLBMFL-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1ccc(Br)cc1Br 384694936 JDFLZKKDGGNCCY-LLVKDONJSA-N 469.015 3.801 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](Br)C1 721578440 PAEHQHYXUXVYOB-QMMMGPOBSA-N 458.919 3.663 50 10 JHGE COc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 727759878 FNEGZNGJLTXPAJ-CHWSQXEVSA-N 471.501 3.536 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c(C)n1C1CCCCC1 887561309 FLDXVYPJSSCQJW-DISPHTKASA-N 468.476 3.837 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2cccc(OC)c2O)cc1)S(=O)(=O)c1ccccc1 1083908306 LUQONEOLYVBMRB-UHFFFAOYSA-N 465.531 3.546 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc(N2CCCC2)o1 1084298114 IYICCLJAOMEBHK-UHFFFAOYSA-N 471.149 3.934 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2NS(=O)(=O)c1ccc(CBr)cc1 1260511111 MRGWZXOGRMHVRV-FKEKPDDDSA-N 459.406 3.505 50 10 JHGE CC(=O)c1cc(NC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)ccc1C 1671291048 USEQTIAYJTXRIJ-UHFFFAOYSA-N 454.490 3.912 50 10 JHGE C#CCCCC(=O)NNC(=O)Nc1cccc(S(=O)(=O)N(CCCC)c2ccccc2)c1 1671843386 YWZGJSIWJXAQKJ-UHFFFAOYSA-N 456.568 3.638 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(Br)c(F)cc2C)cc1 1677136802 POTMTCCHLPVDEY-GFCCVEGCSA-N 452.280 3.719 50 10 JHGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1872750777 KXSMBPYXZPIOQY-ZPHPHTNESA-N 469.544 3.661 50 10 JHGE CC(C)(C)OC(=O)NC1(CC(=O)NC[C@@H]2C[C@H]2Br)CCN(Cc2ccccc2)CC1 1897148966 MYLHXVLCDVXGOQ-RBUKOAKNSA-N 480.447 3.836 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1ccc([N+](=O)[O-])cc1CBr 1912989936 SJUSWPKMMUHQRK-UHFFFAOYSA-N 469.295 3.904 50 10 JHGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Br)cnn1C 1915086124 DKVBJISRUCSWPE-ZDUSSCGKSA-N 465.211 3.547 50 10 JHGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CC(OCc2ccccc2)C1 2009709724 ZITGRFQLKOCGOE-UHFFFAOYSA-N 475.202 3.934 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H]1[C@H]2CBr 2082887144 GGAGKTLXXOBVLU-PTRXPTGYSA-N 484.957 3.909 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146694341 QPEQRTCMNXKFCI-TVYUQYBPSA-N 470.532 3.712 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](C2(NS(=O)(=O)c3ccc(CBr)cc3)CC2)C1 2162588551 HFLNXDXCAWMFSP-HNNXBMFYSA-N 459.406 3.649 50 10 JHGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 2163054454 XIIVCXVCFXLKRF-ZBFHGGJFSA-N 461.422 3.895 50 10 JHGE CN([C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2163058316 JMQXKPDEXBFZJU-NVXWUHKLSA-N 461.422 3.895 50 10 JHGE O=S(=O)(c1sccc1Br)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2163291214 BEBUUNJXZHILDS-BQBZGAKWSA-N 457.131 3.705 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2225384770 JUDXIBQVWVQYGK-GUBZILKMSA-N 455.159 3.773 50 10 JHGE CN(Cc1ccccc1I)S(=O)(=O)[C@@H]1CC[C@H](CBr)C1 2280352516 SXIOYRLHRZYQGX-WCQYABFASA-N 472.186 3.616 50 10 JHGE CN(Cc1ccc(I)c(Br)c1)[C@@H]1COC[C@@H]1Br 2306220925 BEDYTBZNELXLTN-CMPLNLGQSA-N 474.962 3.648 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2322022743 SOFOUAQYNUOHSI-VFNWGFHPSA-N 493.692 3.630 50 10 JHGE COc1ccc2[nH]cc(C=NNC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)c2c1 2325903368 GNPMLCDERHJCAZ-KGLIPLIRSA-N 463.563 3.784 50 10 JHGE BrC[C@H]1N(c2ncc(Br)cc2Br)CC12CCOCC2 2352921326 JUDZWWNNTVDOQZ-LLVKDONJSA-N 454.988 3.987 50 10 JHGE C[C@@]1(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@H]2Br 2380916015 ZGZWICQNQZKSGG-LIWAJOSJSA-N 497.455 3.715 50 10 JHGE O=C(Cn1ccc2ccccc21)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334553 FEPMWCIHRSAXQV-UHFFFAOYSA-N 472.570 3.599 50 10 JHGE CCc1ccc(OCC(=O)N/N=C2/C(=O)Nc3cc(Br)c(C)cc32)c(Br)c1 13977582 FGBHNKRAYAOJQP-UHFFFAOYSA-N 495.171 3.934 50 10 JHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C1/C(=O)Nc2ccc(Br)cc21 13980257 GRBGCDFBKILBIF-UHFFFAOYSA-N 484.137 3.947 50 10 JHGE CCCCCC(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 14040394 NKUZUYYHWGATQE-UHFFFAOYSA-N 495.237 3.501 50 10 JHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)c1C 14660498 SVNNESXTXYONRE-UHFFFAOYSA-N 494.411 3.568 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCOC)c(Br)c2)cc1 14661559 HIKDNCXTVJOHHH-HNNXBMFYSA-N 479.371 3.828 50 10 JHGE C[C@@H](NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1ccccc1 35519540 BGJBUSYOMRYBAM-JQFNYASXSA-N 477.502 3.853 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(F)c1 38677851 YJCLESDLVVOFBZ-HSZRJFAPSA-N 461.405 3.936 50 10 JHGE CC(C)C[C@@H](N)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 59160767 SAESEZNLKXOARB-QZUPYORJSA-N 490.345 3.565 50 10 JHGE COc1cc(C)ccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100461089 WBBWNHJFAVSBES-UHFFFAOYSA-N 479.371 3.669 50 10 JHGE CC1(C)C[C@H](NC(=O)Nc2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)C[C@@](C)(CN=C=O)C1 170290076 BJMKCJHJJPWMKC-NPMXOYFQSA-N 460.579 3.745 50 10 JHGE CCOC(=O)c1ccc(CN/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1 217254355 TZVHMAFRBULIQJ-LGMDPLHJSA-N 489.313 3.912 50 10 JHGE COc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 252643440 ZUMDTJLFNDYYJB-UHFFFAOYSA-N 496.545 3.566 50 10 JHGE O=C(Cl)c1nc(OC(F)(F)F)c(I)cc1I 396161785 SJGWLCPFSOTZHN-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE O=C(NN=Cc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1084184841 GUZPUZZFJHJOHM-UHFFFAOYSA-N 473.904 3.910 50 10 JHGE CC(=O)c1cccc(OCC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)c1 1136795459 VFPQUPDKZWQKOH-UHFFFAOYSA-N 456.502 3.727 50 10 JHGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3c(C)cccc3C(C)C)CC2)c1 1641654046 PAGXAVLFOBBPJS-UHFFFAOYSA-N 457.596 3.865 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744744 HTIURFNALCZRBS-UHFFFAOYSA-N 464.909 3.787 50 10 JHGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccoc2C)CCC3)cc1OC 1772749529 OFAJPPMXMBBMTE-UHFFFAOYSA-N 479.533 3.950 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(-n5cccc5)cc4)c(=O)c23)cc1 1860770321 CUOSOSZRLALFKS-UHFFFAOYSA-N 483.553 3.685 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc(OC)c1OC 1865691855 CNKZYGJDGHBFDG-OAQYLSRUSA-N 450.470 3.623 50 10 JHGE CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)c(C(=O)OCC)c1C 1866215415 VUCUJYBBZGROPL-GHRIWEEISA-N 486.546 3.981 50 10 JHGE CC[C@@](C)(NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866627442 NDYAULKVNGPQLD-HSZRJFAPSA-N 486.619 3.727 50 10 JHGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1 1867190124 HYADCDSIYCRJDQ-ZDUSSCGKSA-N 464.503 3.638 50 10 JHGE C[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1914618413 WWNMSZIUDBFZFN-SFHVURJKSA-N 462.999 3.912 50 10 JHGE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2009622406 PYSPTUIIHABMBU-UHFFFAOYSA-N 480.222 3.690 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC[C@@H](CBr)CC2CC2)CC1 2112872176 VYJZOJPSXOSHJF-DXPJPUQTSA-N 452.459 3.753 50 10 JHGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2cc(F)c(Cl)c(CBr)c2)C1 2123269115 PMJMGJYLZFLCFV-UHFFFAOYSA-N 461.784 3.879 50 10 JHGE O=C(c1c(Br)cccc1Br)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2150495494 NAOWIWDNVAWHJA-KPXOXKRLSA-N 467.983 3.979 50 10 JHGE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NS(=O)(=O)c1ccc(CBr)cc1 2166632213 WBOFFESRJXOEMY-SANMLTNESA-N 483.450 3.673 50 10 JHGE O=S(=O)(c1cc(CBr)cs1)N1CCCN(Cc2ccccc2)CCOCC1 2179819797 PXVOFMMYVRUANH-UHFFFAOYSA-N 473.458 3.556 50 10 JHGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)C(C)=C(C#N)C1=O 2314620996 YEDCPNCBKAJQQQ-UHFFFAOYSA-N 468.893 3.772 50 10 JHGE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(CCOCCI)CC2 2326638116 FWIQJUUDLYSKGU-MRXNPFEDSA-N 466.404 3.796 50 10 JHGE NNC(=O)[C@@H]1C[C@H]1CCCSc1cc(I)ccc1Br 2338341472 MOLFDFBLEXVKOJ-PSASIEDQSA-N 455.159 3.552 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)C1CCCC1 2338669252 BHXHUWFQKJHYFB-QMMMGPOBSA-N 457.992 3.629 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(CBr)c(F)c1 2341923036 KFMUBNGMIQEKDG-UHFFFAOYSA-N 483.359 3.785 50 10 JHGE Cc1ncnc(N2CCC[C@@H](Br)[C@@H]2C(F)(F)F)c1I 2344083761 GMENATPKEAKCHY-VXNVDRBHSA-N 450.040 3.684 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2355687490 GNZOPJAUNLNQIH-MKPLZMMCSA-N 467.983 3.694 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2355843172 FIQRBHNPUVCLOZ-IVAOSVALSA-N 455.462 3.866 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14021515 REGQSIQEVRGKJT-UHFFFAOYSA-N 483.348 3.946 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38653508 ZSJYOXMNVSJYFM-QHCPKHFHSA-N 461.405 3.936 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2)c(OC)c1 39795716 DIUURLUHTNFSLM-NBVRZTHBSA-N 472.925 3.783 50 10 JHGE O=C(NNc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-])c1ccccc1Br 40658403 FAEYMJXXBWYJEF-UHFFFAOYSA-N 464.667 3.696 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)CCBr)cc1Br 134259218 DAEKTMZHENOGMO-MRVPVSSYSA-N 464.017 3.972 50 10 JHGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/Nc3ccc([N+](=O)[O-])cc3C)C2=O)cc1OC 209898918 OKSGTBBSUQZTBI-ZHZULCJRSA-N 476.489 3.668 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 728597705 YMRXNJJRRWUGLG-GOSISDBHSA-N 459.388 3.970 50 10 JHGE N#C/C(=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1)C(=O)OCCC(F)(F)F 914328425 BUDKNAOXDPBAGN-UKTHLTGXSA-N 485.260 3.591 50 10 JHGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(O)cc1O 1083903321 DNUUEGNRPLMMLR-UHFFFAOYSA-N 472.133 3.850 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1)NC1CCCCC1 1084372624 GGWQBRDVGQTEFZ-UHFFFAOYSA-N 472.545 3.756 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2ccc(Cl)cc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 1084398695 RVZZUIQEPPETEF-UHFFFAOYSA-N 494.364 3.897 50 10 JHGE O=C(NCCc1ccc(Br)cc1F)NNC(=O)c1ccc(Br)cc1 1318613647 UXEVDVPCQJKZKA-UHFFFAOYSA-N 459.113 3.537 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)c(Br)c2F)cc1 1626476863 CIHJLBNAVZJHLA-SNVBAGLBSA-N 456.243 3.550 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)cc1 1670033105 VMAOOJNMUQKTOW-BEFAXECRSA-N 451.445 3.551 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(OC(C)C)cc3)c(=O)c2c1-c1ccccc1 1860769697 DXHXKKYFOWIEJK-UHFFFAOYSA-N 476.558 3.682 50 10 JHGE Cc1csc2nc(Cl)c(/C=N/NC(=O)Cn3cnc4scc(-c5ccccc5)c4c3=O)n12 1860773430 ZKWZDFGKSUTYON-HCBMXOAHSA-N 482.978 3.946 50 10 JHGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714086 CFMFHHFXSDJLOS-FQEVSTJZSA-N 450.470 3.574 50 10 JHGE CCCc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 1865759255 QDMPKCYQNHKHQC-UHFFFAOYSA-N 463.534 3.867 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)CCO1 2053851378 RNNUUMNYMUGPBV-XPUUQOCRSA-N 462.001 3.898 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](OCCBr)C1 2109128002 LNKKTNWHUYYKBK-JTQLQIEISA-N 458.521 3.571 50 10 JHGE O=C(Cc1ccccc1I)N[C@@H](CBr)c1cscn1 2119045320 NDDIUSNQNPWQFZ-NSHDSACASA-N 451.127 3.543 50 10 JHGE F[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@H]1CBr 2120610040 LGYAMHHIHMOPET-HTRCEHHLSA-N 453.015 3.874 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@@H](Br)CC2(CCC2)C1 2151343988 CNJPJIJCOVJEPV-JTQLQIEISA-N 450.114 3.777 50 10 JHGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163052889 IJHYHQKKQVUAFE-HUUCEWRRSA-N 461.422 3.848 50 10 JHGE O=S(=O)(C1CCC(CBr)CC1)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2179826461 SGGFXNCNEZAIKM-WWFYLNGCSA-N 455.462 3.724 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@@H](I)C1 2243582575 TVNPYWUVDSVFSI-MRVPVSSYSA-N 461.468 3.594 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2OCC[C@]2(CCl)C1 2296379891 FOKFYWPBHVIKIG-JSGCOSHPSA-N 470.532 3.524 50 10 JHGE CN(C)[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1Br 2325225763 ITONCKGSCFVVKU-DGCLKSJQSA-N 488.005 3.563 50 10 JHGE CC(C)(C)OC(=O)N1CC(N(CCOCCI)CC2CCCCC2)C1 2326642599 STSGCCCXYFRLFL-UHFFFAOYSA-N 466.404 3.940 50 10 JHGE COc1ccc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1Br 2328825072 RIXQKSIPAGONPP-AWEZNQCLSA-N 460.394 3.554 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H](CBr)CCC1(C)C 2338669477 FDHOCGIRTQMHJA-ZETCQYMHSA-N 457.992 3.723 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)c1ccc(Cl)cc1I 2340069272 XGXFDDOQWMXYKC-ZDUSSCGKSA-N 458.521 3.571 50 10 JHGE CN1CCC(CBr)(NC(=O)c2c(Br)cccc2Br)CC1 2381140175 GXEVINUAHBGEID-UHFFFAOYSA-N 469.015 3.801 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)Cc2nnc(NC(=O)Nc3ccccc3)s2)cc1 13136417 LSJFWWWKRPWWPQ-UHFFFAOYSA-N 451.556 3.721 50 10 JHGE aggregator C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NNC(=O)C(C)(C)C 20831003 FEZTZFYCLXJXOS-UHFFFAOYSA-N 452.584 3.515 50 10 JHGE Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c2ccccc21 24476645 KXXADVWIEFZRPG-LJQANCHMSA-N 454.530 3.645 50 10 JHGE CCN1CCN(c2c(CN(CC(C)C)C(=O)CCl)c(C)nn2-c2cccc(F)c2)CC1 34831319 CGDCBPCIAQYPBU-UHFFFAOYSA-N 450.002 3.685 50 10 JHGE O=C(CSCc1ccc(Cl)cc1)N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21 59151914 KEZHWYDEWOSKPJ-SLEBQGDGSA-N 471.026 3.926 50 10 JHGE N#C/C(C(=O)N1CCCCC1)=C1\N=C(NC(=O)c2ccc(Br)cc2)c2ccccc21 102984985 QJJUENXOBQFRTI-FMQUCBEESA-N 463.335 3.886 50 10 JHGE COc1cc(-c2cc(CN(C[C@@H]3CCCO3)C(=O)C(Cl)Cl)no2)cc(OC)c1OC 103022833 NIVKOBAZGFFSCH-AWEZNQCLSA-N 459.326 3.679 50 10 JHGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc1OC 207106566 JTRVIVITUGYWJN-DJUMWKSXSA-N 464.518 3.772 50 10 JHGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)cc3O)n2-c2ccccc2)cc1 252624986 QADOCBDTRCNBTK-UHFFFAOYSA-N 459.531 3.896 50 10 JHGE O=C(c1csc(I)c1)N1CCC(F)(F)[C@@H](CBr)C1 403863214 CVIRSMHJIALAOZ-QMMMGPOBSA-N 450.086 3.845 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCC(=O)OCC 1083914498 MFYHSBXUFDRNIB-HSZRJFAPSA-N 468.550 3.720 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084416298 LNEATGIYKPDIIR-OVCLIPMQSA-N 460.284 3.940 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1 1215600955 WZWGVJAOAKVFPF-LBPRGKRZSA-N 457.380 3.590 50 10 JHGE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 1641088089 VKCULKMDHYPYOH-UUOWRZLLSA-N 461.518 3.661 50 10 JHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749778 RJSNULVEIAHAIG-UHFFFAOYSA-N 451.504 3.779 50 10 JHGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714742 PFEUSVSFMCQMRS-IBGZPJMESA-N 451.870 3.979 50 10 JHGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 1865755584 GQUTVNCRAVLQBR-JOCHJYFZSA-N 490.947 3.792 50 10 JHGE CN1CC[C@H]([C@H](Br)c2cc(Br)sc2Br)S1(=O)=O 1941946404 KIBGFJPUDHMFGH-HTRCEHHLSA-N 468.030 3.743 50 10 JHGE C[C@H](Br)CCNC(=O)c1ccc(Br)cc1I 1995284749 FHNCVLUOOUEPAR-ZETCQYMHSA-N 460.935 3.957 50 10 JHGE Cc1c(CCl)ccnc1-n1c(C)nc(I)c1I 2012021456 WSGZQCHGQCPWLR-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@H]2CBr)cc1Br 2039791988 MHKCYEIOVQLTLM-XVKPBYJWSA-N 462.001 3.582 50 10 JHGE COCC(CCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)COC 2067240173 CMUZWBWSNFGGGE-GOSISDBHSA-N 471.376 3.507 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1c(Br)cccc1Br 2094087989 GIWTWELCFQHCGY-DTWKUNHWSA-N 455.972 3.836 50 10 JHGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)CC1 2110715497 NULDLGODSJFRMM-PVPMGCCUSA-N 451.427 3.964 50 10 JHGE O=C([C@H](Br)C1CCCC1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 2167034342 RMKYCRMKNGTYGH-OUAUKWLOSA-N 453.221 3.541 50 10 JHGE CC(C)(CBr)CS(=O)(=O)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2274330417 SSUKOQDNEAEDEP-UHFFFAOYSA-N 453.393 3.581 50 10 JHGE CNC(=O)C(C#N)=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2c(C)cccn2c1=O 2296849703 AGWIFZLTLNLBNL-UHFFFAOYSA-N 463.541 3.863 50 10 JHGE C=CCN1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=NNC(=O)Cc1ccccc1 2314397566 YGUSHODXFHEKLZ-UHFFFAOYSA-N 497.374 3.504 50 10 JHGE CCOC(=O)c1sc(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)c(C(=O)OCC)c1C 2329703209 YIRMSDCEAKHFQT-UHFFFAOYSA-N 472.519 3.973 50 10 JHGE Clc1ccc(CN2C[C@@H]3CCO[C@@]3(CBr)C2)c(I)c1 2341033075 SBZYCYOTWVMXGJ-FZMZJTMJSA-N 456.549 3.930 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2365584706 RYJHLNGFPYFLKL-AQUOVQTQSA-N 470.532 3.712 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)C2CC2)cc1 12500724 NKXPPWGSPWEYNK-UHFFFAOYSA-N 458.543 3.651 50 10 JHGE CCOc1ccc(NCc2nnc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n2-c2ccccc2)cc1 59844879 OCQWVZSMGQZWEM-KRWDZBQOSA-N 494.621 3.706 50 10 JHGE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(C[C@@H]4CCCO4)C(=O)C(C#N)=C3C)o2)cc1 214327946 QECDLIASNAADCC-GAASDFDMSA-N 460.486 3.895 50 10 JHGE CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)NN=Cc3ccc([N+](=O)[O-])o3)cc2)C1 254487621 ORIAPQJRNBGVEA-KSFYIVLOSA-N 474.539 3.541 50 10 JHGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)CC1 727366801 SXNDLWLGVDUJMA-UHFFFAOYSA-N 468.623 3.742 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC(=O)O 1084046574 CJIVUTQWNCPHRR-IBGZPJMESA-N 475.339 3.605 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=C(C)c1ccccc1O 1084269494 OOBCCXGFPXNVOY-UHFFFAOYSA-N 450.568 3.723 50 10 JHGE Cc1cc(C=NNC(=O)CN2CCOCC2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1084568255 ZPYFWPZJHLGVGS-UHFFFAOYSA-N 493.589 3.936 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 2030275683 RUTQAVBVAAGALO-RTCCRHLQSA-N 484.957 3.767 50 10 JHGE N#CCc1cc(CBr)cc(I)c1I 2060174414 HPSLKSBZLFNIGS-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE CC(C)(C)OC(=O)NCC1(F)CC(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2168224286 MECLUWLIAJJISL-UHFFFAOYSA-N 465.385 3.503 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Cl)C2(CCCCC2)C1 2174378008 ZRRYRZDSQXWNOG-LJQANCHMSA-N 453.004 3.656 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2COC[C@@]2(CBr)C1 2226181638 JNXOYETZXZTXQN-JMCQJSRRSA-N 474.012 3.757 50 10 JHGE Clc1ccc(CNCCOCCCI)c(I)c1 2302307957 VFWLJDMTZVQAII-UHFFFAOYSA-N 479.527 3.876 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 2314789577 ISUIENJGWUDXCW-QGZVFWFLSA-N 456.926 3.999 50 10 JHGE Clc1ccc(CN2C[C@@H]3OCC[C@@]3(CBr)C2)c(I)c1 2341051746 QPPHBOQFLKSMFF-UONOGXRCSA-N 456.549 3.930 50 10 JHGE C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14037932 GYECHDJHBVJYKJ-CYBMUJFWSA-N 488.294 3.504 50 10 JHGE CCOc1cc(CNNC(=O)CCCCCNC(=O)c2ccccc2Br)ccc1O 34982654 GPLNZZGGJARCHW-UHFFFAOYSA-N 478.387 3.665 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc(OC)c1OC 38660472 TXPBYGBDHATUNX-VWLOTQADSA-N 488.496 3.915 50 10 JHGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1)CC3 39881724 UFZYWJPNNATFSP-UHFFFAOYSA-N 452.514 3.941 50 10 JHGE N#C/C(=C\c1cc(Br)c(N2CCCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 59302841 AZHZCENFVFIOHR-SOMJYHCASA-N 451.328 3.850 50 10 JHGE O=C(NNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1)c1cc(Br)c[nH]1 250113275 KKLHUSNBIOEEEN-PJSAGSTRSA-N 493.789 3.665 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NN=Cc2cc(Br)c(OC)cc2OC)cc1 1084353904 BYSCWCSYGRIOEA-UHFFFAOYSA-N 478.343 3.734 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)cc1 1669529951 LSBRDWVPDLNVIB-CQSZACIVSA-N 459.474 3.604 50 10 JHGE N#CSc1ccc(NC(=O)c2ccnc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)c2)cc1 1860514987 XDCXOAPJECYGSP-UHFFFAOYSA-N 485.525 3.922 50 10 JHGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(CS(C)(=O)=O)cc1 1865759249 PWXBUANMEFDVRA-UHFFFAOYSA-N 492.384 3.983 50 10 JHGE CN(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867277707 AXYCOWNKQHHQFZ-XZOQPEGZSA-N 459.575 3.624 50 10 JHGE COC(=O)c1cccc2c1c(/C=N/NC(=O)COc1ccc(C(=O)NC3CCCCC3)cc1)cn2C 1873497316 ORSBFUFXLCCOBN-RWPZCVJISA-N 490.560 3.557 50 10 JHGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1ccc([N+](=O)[O-])cc1CBr 1913030063 GSCFPUHXFKPTPJ-UHFFFAOYSA-N 455.268 3.514 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCC(I)CC1 2021439760 VNVJFNYCPANABT-UHFFFAOYSA-N 475.495 3.984 50 10 JHGE COC(=O)Cc1ccc(I)c(I)c1CBr 2055330274 AKEJNRXZFBESNS-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE Cn1ncc(Br)c1CC(CBr)(CBr)C1CCOCC1 2087326108 ZKHMQPBIIXBZBI-UHFFFAOYSA-N 459.020 3.928 50 10 JHGE C=CC[C@@]1(CBr)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2287759399 ZWIUODRYGUWVFO-QFIPXVFZSA-N 497.455 3.692 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)C=Cc1cccc2ccccc12 2313616917 WRUXIDWDMCSOGN-UHFFFAOYSA-N 453.951 3.916 50 10 JHGE CCCOc1ccccc1C=CC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325886507 MLNVXXXJBZHRCW-SJORKVTESA-N 494.617 3.793 50 10 JHGE C[C@H]1C[C@H](OC2(CBr)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)S1(=O)=O 2352655993 IVDCELFHWHIHAS-QDMKHBRRSA-N 454.427 3.522 50 10 JHGE CCCCOc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 8766284 GHUSIECPNOAPTI-LGJNPRDNSA-N 468.579 3.675 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(Cl)cc3)cc2)c1 12501805 ONPZHPBUXBITEO-UHFFFAOYSA-N 466.950 3.850 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 38658484 VLBLKLVQKICXAF-AREMUKBSSA-N 488.496 3.915 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OC)c(I)c2)cc1 58892882 MDZPTWPJKKOVME-FPJJECCMSA-N 482.318 3.662 50 10 JHGE COc1ccc(/C(C)=N\NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1OC 96698231 ZXDDGKBFQPYBHJ-HMAPJEAMSA-N 459.549 3.720 50 10 JHGE Cc1cccc(Cn2cccc(C(=O)NNC(=O)[C@H](C)Oc3ccc4ccccc4c3)c2=O)c1 109108123 WOQJAROJMNCCME-IBGZPJMESA-N 455.514 3.587 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 168205719 COWLYTCIGXVAED-CBAPKCEASA-N 482.021 3.929 50 10 JHGE N#C/C(=C\c1ccccc1)C(=O)N1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1 170539017 LKJQAVMQRHVXIC-CPNJWEJPSA-N 469.936 3.725 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C)nc3ccccc3c2=O)cc1 254616306 AUZCEACRGOWUOR-UHFFFAOYSA-N 458.543 3.945 50 10 JHGE O=C(O)COc1ccccc1C=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1 254800361 HMYKUBNQYXUKJG-UHFFFAOYSA-N 474.542 3.790 50 10 JHGE COc1cc(C=NNC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc(OC)c1OC(C)=O 254832665 GMFAGLDTNZLBHI-UHFFFAOYSA-N 458.474 3.936 50 10 JHGE CO[C@@]1(CBr)CCCN(C(=O)c2cc(Cl)ccc2I)C1 401896529 KLUTTXGVAWNQFG-CQSZACIVSA-N 472.548 3.961 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 746183059 WHNWJSCIFYKDGA-UHFFFAOYSA-N 470.547 3.818 50 10 JHGE CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 1084289795 LMNLSPADNRYMEL-UHFFFAOYSA-N 458.518 3.916 50 10 JHGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)cc(I)c1O 1084639614 STNYQKMDCZWFMO-OAHLLOKOSA-N 458.683 3.614 50 10 JHGE CCCCCn1nc(C(=O)NNC(=O)c2csc(-c3ccsc3)n2)c2ccccc2c1=O 1087392264 RLERGOXBNSEEJV-UHFFFAOYSA-N 467.576 3.847 50 10 JHGE CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)CSCc2c(C)c(C)c(C)c(C)c2C)cc1 1088718342 HXHBRSPGTTUZGK-UHFFFAOYSA-N 478.636 3.648 50 10 JHGE CCCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1866637746 FOBMXTQZMIRZLE-FQEVSTJZSA-N 488.635 3.746 50 10 JHGE O=S(=O)(CI)Nc1ccc(Cl)c(I)c1Cl 1910137209 YFVTZPCFYZTDET-UHFFFAOYSA-N 491.903 3.732 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC(CCBr)C1 1946925634 WHPGZAKQLZVZBA-UHFFFAOYSA-N 472.946 3.911 50 10 JHGE CCCN1CC[C@@H]([C@H](Br)c2sccc2I)S1(=O)=O 2029064301 HDDYSERRDZQVIP-UWVGGRQHSA-N 464.188 3.603 50 10 JHGE O=C(CCl)c1c(I)cc(I)cc1OC(F)F 2060186461 ODJNSJHKWREDMH-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H](CCBr)CC1 2093309549 BLNYLDHPOOSCSD-KRWDZBQOSA-N 485.444 3.670 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2ccc(Br)cc2Br)C1 2109021060 FWWBMNREOURZSI-VHSXEESVSA-N 455.972 3.836 50 10 JHGE CC1(C)C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CN(C(=O)OC(C)(C)C)C1 2162587814 XTUABVRSVUWWLX-OAHLLOKOSA-N 461.422 3.895 50 10 JHGE C[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2162592275 SJDMSABPKDWRCW-ZBFHGGJFSA-N 461.422 3.895 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNS(=O)(=O)c1ccc(CBr)cc1 2162600871 JYPHWCMYISHCFC-GOEBONIOSA-N 461.422 3.753 50 10 JHGE CC(C)(C)OC(=O)NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2162602452 OTWXDJXJISQOTD-ZBFHGGJFSA-N 461.422 3.943 50 10 JHGE CC(C)n1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)cc1CBr 2179858087 JSOKILMRYJOBSN-KRWDZBQOSA-N 454.434 3.859 50 10 JHGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N1CC2(CN(Cc3ccccc3)C2)C1 2179862593 YMEOOBRATLVHOE-UHFFFAOYSA-N 473.795 3.881 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@@H](CBr)CCC12CCC2 2205772627 JXRUDOWBVNAQII-LLVKDONJSA-N 450.114 3.919 50 10 JHGE C[C@@H](Br)[C@@H](NC(=O)c1c(F)cccc1I)C(F)(F)F 2267676815 KPATZGGUWOTRJU-MLUIRONXSA-N 453.999 3.874 50 10 JHGE C=CC[C@]1(CBr)CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2287841940 WOWXEPDTOZNKKF-JOCHJYFZSA-N 497.455 3.834 50 10 JHGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 2295523555 LWDIXUHHYJGBDX-UHFFFAOYSA-N 457.490 3.582 50 10 JHGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)NC[C@@H]1CCCO1 2313609883 OEDIZJFELFTGQU-FQEVSTJZSA-N 485.334 3.928 50 10 JHGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325142109 JECMSFKNTUJUSY-UHFFFAOYSA-N 495.388 3.781 50 10 JHGE Clc1ccc(I)cc1CN1CCN2C[C@@H](Br)C[C@H]2C1 2352417965 PJEOWLUGAPHESJ-AAEUAGOBSA-N 455.565 3.598 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](CCl)C2(CCC2)C1 2364194064 BCUYFCQPVIRSMF-QGZVFWFLSA-N 453.004 3.514 50 10 JHGE CCCCCn1nc(C(=O)NNC(=O)CCCc2nc3ccccc3s2)c2ccccc2c1=O 17397882 OLVIYFMOULWOLQ-UHFFFAOYSA-N 477.590 3.980 50 10 JHGE O=C(CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1)NNC(=O)c1ccc(Cl)cc1 20923348 YGPALXINGLDDCJ-GZIVZEMBSA-N 498.783 3.764 50 10 JHGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1nc2ccccc2s1 40761081 MTYAKMLKMALQAH-UHFFFAOYSA-N 456.329 3.932 50 10 JHGE CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CN(C(=O)NC[C@H]1CCC[C@H](CN=C=O)C1)CC2 170288939 WVLFJVDPKZQLDX-PMACEKPBSA-N 479.581 3.567 50 10 JHGE CO[C@H]1C[C@@H](CCl)N(C(=O)c2cc(I)ccc2Br)C1 311681100 QVIWQBDJBCAEAS-UWVGGRQHSA-N 458.521 3.522 50 10 JHGE O=C(Cl)c1cc(I)c(OC(F)(F)F)nc1I 396176754 CKCPATMMZINPNL-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2scnc2C)c1 729452720 DPZCRZDKGBVKGC-UHFFFAOYSA-N 490.994 3.561 50 10 JHGE O=C(NNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)c1ccc2c(c1)OCCO2 730471044 PHWWBFHXLRJDTH-NRFANRHFSA-N 456.857 3.832 50 10 JHGE CN1C(=O)C(=NNC(=O)CN(Cc2ccccc2)Cc2ccccc2)c2cc(Br)ccc21 1084175083 PTFCUDORAVTBKB-UHFFFAOYSA-N 491.389 3.948 50 10 JHGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=O)CSc3ccc(Cl)cc3)no2)c1 1135755981 MGBMCVCMMLVRAF-UHFFFAOYSA-N 459.911 3.663 50 10 JHGE C=CC[C@@]1(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)CCCN1C(=O)OC(C)(C)C 1586387878 KHMQDLAECABXNK-NYHFZMIOSA-N 451.951 3.601 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1)C1CCOCC1 1684031636 RTNQITSETCIPHL-VWLOTQADSA-N 457.530 3.791 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CCO[C@@H](CCBr)C1 2052690738 XWYBWEIGZIASNN-ZETCQYMHSA-N 462.001 3.899 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)c1ccsc1 2055481987 SGFHKHOLCSIVNS-QGZVFWFLSA-N 485.425 3.570 50 10 JHGE CCN1CC[C@@H]([C@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2089522383 IJDJYPKZACZGBW-NWDGAFQWSA-N 478.577 3.805 50 10 JHGE CCOC1(CBr)CN(C(=O)c2ccc(I)c(Cl)c2)C1 2116387595 BZJIBVLDEPYMEJ-UHFFFAOYSA-N 458.521 3.571 50 10 JHGE C[P@@]1(=O)C[C@H](NC(=O)c2ccc(Br)cc2I)[C@@H](Cl)C1 2142276494 DLVXVHAYJOZFNW-KKRWKGTOSA-N 476.476 3.766 50 10 JHGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1I 2185319711 RWHGTSGNOSVCJN-MWLCHTKSSA-N 472.548 3.959 50 10 JHGE COc1ccc(-n2cnc(I)c2I)c(CCl)c1 2214845772 FWPZWSOSNRNGLU-UHFFFAOYSA-N 474.467 3.829 50 10 JHGE Cc1ccc(I)c(C(=O)N2C[C@@H](CBr)OC(C)(C)C2)c1 2240916236 UJZSMNSOCDXGGB-LLVKDONJSA-N 452.130 3.614 50 10 JHGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(Br)cc1 2314737528 SNJUHUWPEUCNEY-UHFFFAOYSA-N 473.323 3.874 50 10 JHGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2329696500 GEOPMTMMLHMAGT-UHFFFAOYSA-N 484.335 3.586 50 10 JHGE BrC1CCC([C@@H]2CCN(Cc3ncc(I)cn3)C2)CC1 2381287306 CFFDULKBZSHUJA-OTTFEQOBSA-N 450.162 3.857 50 10 JHGE CCOC(=O)[C@@]1(OC(=O)C(Cl)Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 3979944 QAIOVDNCIZSSSF-RFAJLIJZSA-N 485.404 3.914 50 10 JHGE biogenic,investigational COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC 12580935 DLWLTNGZIRZZJJ-FOKLQQMPSA-N 454.310 3.888 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 14038798 PHIQQGMBOXWCLS-IBGZPJMESA-N 476.529 3.914 50 10 JHGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1Br 14647332 PCGJDMPTXYWQFI-UHFFFAOYSA-N 486.160 3.840 50 10 JHGE Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)C(C)(C)CCl)CC1 34899726 WCVIIKZHUNXZLQ-NHCUHLMSSA-N 462.034 3.656 50 10 JHGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2Br)c(OC)c1 40858964 JSLFYXJARMHMDJ-OQLLNIDSSA-N 460.280 3.831 50 10 JHGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1C 115076858 GZDVKIAUPIQOJT-OKWLUECYSA-N 466.607 3.567 50 10 JHGE COc1cc(C)c([C@@H](Br)c2cnn(C)c2I)cc1OC 381954570 XIYFJDJZTKFYOZ-CYBMUJFWSA-N 451.102 3.835 50 10 JHGE C[C@H]1CCCN(C(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C1 782092611 IATUOWKCNPCRQF-LSPINASFSA-N 465.941 3.826 50 10 JHGE CCc1ccc(C(C)=NNC(=O)[C@H](NC(=O)c2ccccc2)c2nnc(O)c3ccccc23)cc1 1565517669 HNOVZWXYIYNRDM-XMMPIXPASA-N 467.529 3.909 50 10 JHGE O=C(NC1(C(=O)NC[C@H]2C[C@@H]2Br)CC1)OCC1c2ccccc2-c2ccccc21 1890631372 RCOPGBIELRXCQW-VLIAUNLRSA-N 455.352 3.957 50 10 JHGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1c(Br)cnn1C 1915112518 APUDOPOHAQHFAI-LBPRGKRZSA-N 465.211 3.547 50 10 JHGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1Br 1984104509 FTOOWDWFOFKZHR-CYBMUJFWSA-N 465.211 3.547 50 10 JHGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1nn(C)c(Cl)c1Br 2001994722 YPJPXXANMCGGJG-GFCCVEGCSA-N 479.600 3.888 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1cc(Br)c(Br)s1 2006160720 VRTQJGIYVUPQAH-HFEOUEFNSA-N 465.026 4.000 50 10 JHGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1scc(Br)c1Br 2072942733 BLYPBALCEGGVAI-POYBYMJQSA-N 462.001 3.803 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1ccc(I)c(Cl)c1 2097944164 BKWMGJTVGQBVPH-UWVGGRQHSA-N 458.521 3.617 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NCC2(CBr)CCOCC2)C1 2106785671 PWOWUNSKWKFQIZ-WZQKQDCOSA-N 453.443 3.675 50 10 JHGE Cl[C@@H]1CN(c2ncc(I)cc2Br)CC12CCOCC2 2133377523 HLJNIUQMWISFPF-LLVKDONJSA-N 457.537 3.673 50 10 JHGE O=C(NCC12CC(CCl)(CO1)C2)c1cc(Br)ccc1I 2159576092 LBICOWUJJXKXJV-UHFFFAOYSA-N 470.532 3.572 50 10 JHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCl)CC1CCCCC1 2164515719 SEGPLUKFLSYPPI-HRAATJIYSA-N 458.983 3.508 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179869399 XLIDELSPEFGNKK-QZTJIDSGSA-N 453.402 3.707 50 10 JHGE Cc1nc2c(s1)CN(S(=O)(=O)c1cc(CBr)sc1Br)C2 2201394792 NDRMGDGXGJSACY-UHFFFAOYSA-N 458.222 3.875 50 10 JHGE N#CC(=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1cccc(Br)c1 2294171975 OUEVTYUNRNGNJN-UHFFFAOYSA-N 493.361 3.808 50 10 JHGE BrC[C@@H]1COCCN1Cc1ccc(I)c(Br)c1 2306221713 LDPYNKOVIYOUPD-SNVBAGLBSA-N 474.962 3.649 50 10 JHGE CC(C)Oc1cccc(C=CC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 2325890147 XDZSJBOCIVFELR-UHFFFAOYSA-N 488.569 3.773 50 10 JHGE CN(C[C@H]1CCC[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843788 CDOOSMXNAJPONQ-VQIMIIECSA-N 485.444 3.668 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)C1CCC(CBr)CC1 2364024360 LFXWLKMFJAUHHY-UHFFFAOYSA-N 472.019 3.971 50 10 JHGE Cc1ccc(-c2csc3ncn(CCC(=O)NNC(=O)c4ccc(Cl)cc4)c(=O)c23)cc1 16202489 LPKGVVHWFPWJRL-UHFFFAOYSA-N 466.950 3.938 50 10 JHGE O=C(CSc1nnc(-c2ccccc2)s1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 40947810 ZPBKNPAPYCVMBR-MFKUBSTISA-N 495.630 3.839 50 10 JHGE Cc1nc(-c2ccccn2)sc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 45529459 KWNHWZFOBYITFK-UHFFFAOYSA-N 481.541 3.836 50 10 JHGE O=C(N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cc(Cl)ccc1O 59167050 LTZWPSYBUOVYKW-HIXSDJFHSA-N 450.838 3.635 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC(CBr)C1 390105331 SGMYRDPPELSJIA-UHFFFAOYSA-N 458.919 3.521 50 10 JHGE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNc2nc(-c3ccccc3)no2)c1 728080580 HXYSPWLPVPHPST-UHFFFAOYSA-N 497.964 3.968 50 10 JHGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccc(O)cc1 1084127823 FKBGTKSAXHJNQS-UHFFFAOYSA-N 468.282 3.975 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cccc(Br)c1 1257889608 WWZUUKPKSKILEB-UHFFFAOYSA-N 471.464 3.634 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2C)CCC3)cc1 1772743726 KHAVGPMQSPIGIM-UHFFFAOYSA-N 458.518 3.750 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865708518 AMEXZDZQZMLNGI-JOCHJYFZSA-N 479.496 3.948 50 10 JHGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)Cc1ccc(Br)s1 1865845135 KMDLIWURQRQKBE-UHFFFAOYSA-N 450.383 3.870 50 10 JHGE C#CCN(CCBr)Cc1ccc(I)c(Br)c1 1904343265 GTXZDOLPNBJBQL-UHFFFAOYSA-N 456.947 3.884 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](OCCCN2CCCCCC2)[C@H](I)C1 2007039362 IFBPLYLXHVDNOP-CVEARBPZSA-N 452.377 3.692 50 10 JHGE O=S(=O)(NC[C@@H](CBr)C1CC1)c1cc(Br)ccc1Br 2089959854 AVYFYVMBKJTKLQ-SECBINFHSA-N 476.028 3.911 50 10 JHGE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 2168224285 MECLUWLIAJJISL-PPUGGXLSSA-N 465.385 3.503 50 10 JHGE Cc1cc(C(=O)N2C[C@H](CBr)OC(C)(C)C2)ccc1I 2207101669 HQCWUGJLWJIAGS-LBPRGKRZSA-N 452.130 3.614 50 10 JHGE O=S(=O)(Nc1c(Br)cc(Br)cc1Br)N1CC(Cl)C1 2254228616 FZEVMSYLMZWCNN-UHFFFAOYSA-N 483.407 3.554 50 10 JHGE O=C(c1c(F)cccc1I)N1CCS[C@@H](CCBr)C1 2267701329 XKYHPVHZNUVFNY-VIFPVBQESA-N 458.134 3.773 50 10 JHGE C[C@@H](Cl)COCc1cn(-c2cc(Br)ccc2I)nn1 2278370940 BEFMTXRYGNGSBA-MRVPVSSYSA-N 456.509 3.778 50 10 JHGE COc1ccccc1C=CC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 2313620965 DICMJIMECLPJQH-UHFFFAOYSA-N 498.171 3.768 50 10 JHGE CCOc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314737693 KNGUGOHDWTTXOV-UHFFFAOYSA-N 476.485 3.895 50 10 JHGE C[C@@H](CBr)N1CCN(Cc2ccc(Cl)cc2I)CC1 2341050533 NYWIWBPRFYKANG-NSHDSACASA-N 457.581 3.846 50 10 JHGE CC(C)(C)OC(=O)N(CCCC(=O)Nc1ccc(C(F)(F)F)c(B(O)O)c1)Cc1ccccc1 2370114822 YXBPTNXPXCOHNE-UHFFFAOYSA-N 480.292 3.541 50 10 JHGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 10295604 ZGTRNXDWSHIMMX-GFCCVEGCSA-N 480.384 3.584 50 10 JHGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14035406 KOTPNFYZJPOSPF-UHFFFAOYSA-N 470.595 3.655 50 10 JHGE Cc1cccc(OCC(=O)Nc2ccccc2C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1C 20417990 SUOUJMONPCNSFU-DHRITJCHSA-N 462.462 3.699 50 10 JHGE CC(/C=C/c1ccccc1)=N\NC(=O)CSc1nnc(-c2ccccc2Br)n1N 58991468 AHLWZUCQMQYRRT-OKTVNARPSA-N 471.384 3.719 50 10 JHGE COC(=O)c1ccc(CN/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 216509074 RBKHDWGNIVINBJ-QYQHSDTDSA-N 494.595 3.904 50 10 JHGE O=C(NCCCCI)c1ccc(I)c(Cl)c1 236035676 HUDXAPHZKRBPRU-UHFFFAOYSA-N 463.484 3.890 50 10 JHGE O=C(CNC(=O)c1cccc(F)c1)NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 252596380 CIUSGRMBGPDCCY-UHFFFAOYSA-N 498.308 3.688 50 10 JHGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3O)nnc2-c2ccccc2)cc1 252621465 MZAVKLMMOGJHJY-UHFFFAOYSA-N 459.531 3.896 50 10 JHGE COC[C@H](Br)CN(C)c1ncc(C(F)(F)F)cc1I 686115089 PNFQTBJVDIKOLD-MRVPVSSYSA-N 453.040 3.551 50 10 JHGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)Nc2ccc3c(c2)CCO3)cc1OC 914471548 HTJXDSCILFJVNW-UNOMPAQXSA-N 469.501 3.962 50 10 JHGE CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 914695477 XHLPYMGBXNTNFE-UHFFFAOYSA-N 452.374 3.658 50 10 JHGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3[C@H](O)C[C@]21C 1073235553 DMKSVUSAATWOCU-SVKPWJOZSA-N 466.958 3.917 50 10 JHGE C=CCn1cc2ccc(NC(=O)NNC(=O)[C@H](C)Oc3cccc(Br)c3)cc2n1 1563300782 UHQIRBDGZUVADZ-ZDUSSCGKSA-N 458.316 3.605 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@@]2(CBr)C1 2029657756 SEUWWXXINPQVGR-ISVAXAHUSA-N 484.957 3.911 50 10 JHGE O=C(OCc1ccccc1)N1CCC(NS(=O)(=O)c2ccc(CBr)cc2)CC1 2044258328 VJGQZGIYQHSGCS-UHFFFAOYSA-N 467.385 3.661 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCN3CCC[C@@H]3C2)C1 2078757497 BRCQQPYJVPSIKC-GPMSIDNRSA-N 464.388 3.835 50 10 JHGE O=C(NC1(CBr)CCOCC1)c1cccc(Br)c1Br 2092341212 YXCMDWXMXXUVQH-UHFFFAOYSA-N 455.972 3.886 50 10 JHGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2123211148 SVYUZMWYFCMENN-SJORKVTESA-N 455.805 3.882 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1ccc(CBr)s1)C2 2123240971 CRTZBPKGQLQBCY-APWZRJJASA-N 455.443 3.786 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CCC2)[C@@H](CBr)C1 2151655289 KJXICKYAJKSPGL-KRWDZBQOSA-N 497.455 3.670 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189051186 SRVRSMSIKIDMAS-BZBKMWRSSA-N 467.983 3.694 50 10 JHGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNc1ccc([N+](=O)[O-])cc1 2297578894 MHMKABXESINHAM-UHFFFAOYSA-N 462.940 3.983 50 10 JHGE CCc1nn(C)c(C(=O)N[C@H](CCBr)COCc2ccccc2)c1Br 2320361450 RWLGAMJSDJLCKF-CQSZACIVSA-N 473.209 3.845 50 10 JHGE C[C@@H](Br)CC(C)(C)CNC(=O)c1c(Br)c(Br)nn1C 2338864334 VAWWQGWVDXGZEG-SSDOTTSWSA-N 460.008 3.875 50 10 JHGE COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 14646017 XZIRURQLRMMOQA-UHFFFAOYSA-N 494.411 3.832 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 33959186 XUAWYYCKAFQHTQ-CVKSISIWSA-N 493.472 3.994 50 10 JHGE COCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)CCl 35797956 PKNOXSZJFKYKSG-UHFFFAOYSA-N 497.057 3.749 50 10 JHGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)CSc3nc(C)cc(C)n3)c3ccccc3C2=O)c(C)c1 38183789 NAOQCPZBAQBLOW-FYJGNVAPSA-N 487.585 3.651 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](Br)C2)cc1Br 158638684 UWJFTLCANLWSTJ-QMMMGPOBSA-N 462.001 3.678 50 10 JHGE CC1(C)CN(S(=O)(=O)c2ccc(Br)cc2Cl)C[C@@H](CBr)O1 164342761 VYKODKZUNNNLGM-SNVBAGLBSA-N 461.603 3.666 50 10 JHGE O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1 254624928 UWLBWFJYKMVJFS-UHFFFAOYSA-N 459.487 3.536 50 10 JHGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C)S(C)(=O)=O 725447869 DGTMFBIVTIUKKW-UHFFFAOYSA-N 470.570 3.766 50 10 JHGE COC(=O)COc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1OC 1084000488 YAKRJQBTSJTSFZ-UHFFFAOYSA-N 461.268 3.520 50 10 JHGE COC(=O)COc1cccc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 1084187007 AURPCIXCEVSPIG-UHFFFAOYSA-N 457.530 3.561 50 10 JHGE O=C(CCCCO)NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 1084490385 RUNCDWLMERTJGM-UHFFFAOYSA-N 462.531 3.743 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc2c(c1)OCO2 1084544785 RVYPAJNNMIJHGU-VIZOYTHASA-N 459.296 3.761 50 10 JHGE C=CC(=O)N(CC)CC(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1587142862 KLSGIYDOLYOKTK-UHFFFAOYSA-N 457.530 3.728 50 10 JHGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2O)cc1 1865695722 GWHWTRJWVQVBTP-IBGZPJMESA-N 453.296 3.876 50 10 JHGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(CS(C)(=O)=O)cc1 1865759686 NBRMGSKIZXNOMS-UHFFFAOYSA-N 492.384 3.983 50 10 JHGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872746248 ZKTQHMGSZWQJNL-SDXDJHTJSA-N 462.443 3.816 50 10 JHGE O=S(=O)(N[C@H](CBr)C(F)(F)F)c1cc(Cl)c(Br)s1 2029996735 HAMWURTWWGCUQW-SCSAIBSYSA-N 451.511 3.768 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2csc(Br)c2Br)C1 2032954177 YFAMBPMJHYTKLV-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE O=C(CBr)c1c(S)cc(I)cc1I 2060149441 CVNUXPUJZRVJRN-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE CCCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)cc1CBr 2179859110 YRPBSUSDTRQLGG-KRWDZBQOSA-N 454.434 3.688 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)n(C3CC3)c2)CCN1Cc1ccccc1 2179862444 WNFYJWGLOCCCTN-INIZCTEOSA-N 452.418 3.613 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1(CBr)CC2(CCC2)C1 2182746468 PCOKUYYLSUYMLN-UHFFFAOYSA-N 497.455 3.718 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186716737 WQDZXKZVQKWPAI-HNNXBMFYSA-N 467.307 3.612 50 10 JHGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1cc(I)ccc1O 2196158067 VNBVSPDSFJCTMA-GWCFXTLKSA-N 450.114 3.846 50 10 JHGE O=C(N[C@H]1C[C@H](Br)C1)c1cc(I)ccc1Br 2245940896 IGSNEUDSULWLES-FKQCQYRASA-N 458.919 3.709 50 10 JHGE CC(C)[C@@H](CI)NC(=O)c1c(F)cccc1I 2247967607 KVCDNDDYAWQZOG-SNVBAGLBSA-N 461.056 3.620 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@@]21CC[C@](C)(CI)O1 2249355645 KAYLYFOCNRYBHV-ZCHQSPEWSA-N 451.345 3.679 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)cc(B(O)O)c1 2268645520 FPWGYFBWGSHYNR-QYBDOPJKSA-N 486.377 3.567 50 10 JHGE C[C@H](Br)COCc1cn(-c2ccc(I)cc2Cl)nn1 2278382271 IAQUKYYVLKLVQT-QMMMGPOBSA-N 456.509 3.825 50 10 JHGE C[C@@H]1COCCN1CCO[C@H](CI)c1ccc(Br)cc1 2285505996 FRRSKPJQMCQUHX-IUODEOHRSA-N 454.146 3.663 50 10 JHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1ccnc1 2296727597 QFXWHGSOTKFVEP-UHFFFAOYSA-N 467.489 3.757 50 10 JHGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1Cl 2297019490 IQYUMYKDTONWKB-NRFANRHFSA-N 467.978 3.934 50 10 JHGE C[C@H](C(=O)NN=Cc1ccccc1Br)n1cnc2sc3c(c2c1=O)CCCC3 2325902837 NEHVJEVDXZZWCG-GFCCVEGCSA-N 459.369 3.811 50 10 JHGE ClC[C@]12CN(Cc3ccc(I)c(Br)c3)C[C@@H]1CCO2 2349833382 XNURKRDOLUBLQM-FZMZJTMJSA-N 456.549 3.883 50 10 JHGE CCc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)nc1 254598307 UGABKQZKMBNGMO-UHFFFAOYSA-N 463.490 3.653 50 10 JHGE O=S(=O)(CCCCCl)Nc1ccc(Br)c(I)c1 304201609 NMDWGMMPUUQJOB-UHFFFAOYSA-N 452.539 3.814 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 709216197 YORCLDRWCBPBKD-BDAKNGLRSA-N 476.028 3.863 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H]2CC[C@H]1CC(CBr)C2 719303258 XOLJOXOYEJSHRJ-RYUDHWBXSA-N 450.114 3.775 50 10 JHGE C[C@H](Br)[C@H](C)NC(=O)c1ccc(I)c(Br)c1 721592153 FNDOVGDHOLFYHU-BQBZGAKWSA-N 460.935 3.955 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H](CCl)O1 721620319 OIRRYEYZQQKVGX-PSASIEDQSA-N 458.521 3.522 50 10 JHGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1C 727365153 MWKBMUDPSSKEJX-QGZVFWFLSA-N 452.580 3.744 50 10 JHGE O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1OCc1ccc(F)cc1 731165491 XKRJDVLPWYEFIT-OAQYLSRUSA-N 475.520 3.718 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccccc2Cn2cccn2)c(-c2ccccc2)n1 914466070 FOQVOXBKYWSYOW-JLPGSUDCSA-N 461.529 3.932 50 10 JHGE COC(=O)c1cc(-c2ccc(C=NNC(=O)CNc3ccc4c(c3)OCO4)o2)ccc1Cl 1084202885 FWQZUWHLZPJXRY-UHFFFAOYSA-N 455.854 3.678 50 10 JHGE C=CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(OCC)cc3)cc2)cc1 1463674551 PLIKTIXAOQTYNQ-UHFFFAOYSA-N 459.502 3.864 50 10 JHGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 1466575272 SJMLWNHLLSXQNG-UHFFFAOYSA-N 456.506 3.519 50 10 JHGE N#CC(C(=O)CN1C(=O)c2ccccc2[C@@H]1O)=C1NC(c2ccc(Br)cc2)=CS1 2040465769 IGVXKXJBIYECFX-FQEVSTJZSA-N 468.332 3.535 50 10 JHGE O=C(NCc1nnc(CBr)s1)c1cc(Br)c(Br)s1 2072469279 OHKHRNQMJVVIER-UHFFFAOYSA-N 476.013 3.950 50 10 JHGE C[C@H]1[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C2CCN1CC2 2077344986 ZQSYXWRREXKDGL-GOEBONIOSA-N 464.388 3.690 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@H]2NS(=O)(=O)c1ccc(CBr)cc1 2162589207 NXDNDHVCFNGSAE-BFYDXBDKSA-N 459.406 3.648 50 10 JHGE O=S(=O)(c1occc1CBr)N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179825580 INRPVRHWVBJSCE-MJGOQNOKSA-N 453.402 3.707 50 10 JHGE Cc1cc(C(=O)N[C@@H](CBr)C[C@@H]2CCCO2)ccc1I 2207108690 YLZGAIDINMUAFK-OLZOCXBDSA-N 452.130 3.662 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1ccc(Cl)c(I)c1 2268350651 JJNVUPZYAULVPQ-NXEZZACHSA-N 458.521 3.617 50 10 JHGE Cc1cc(B(O)O)ccc1NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2269544492 JVQUULAXRLYYPG-SANMLTNESA-N 486.377 3.567 50 10 JHGE COC1CC2(CC(CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3I)C2)C1 2307608451 VGJWSXRCVDRRAF-WZRIJVRPSA-N 451.345 3.631 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cccc(C(C)C)c1 2314795786 PVFQHWLXWFKSDW-UHFFFAOYSA-N 464.518 3.569 50 10 JHGE CC(C)(C)OC(=O)N[C@@]1(c2ccccc2)CCN(CCOCCI)C1 2326648838 ROWGVILOIIHZNH-IBGZPJMESA-N 460.356 3.564 50 10 JHGE Cc1nsc(Br)c1C(=O)NCC(F)(F)C(F)(F)CI 2336525790 YZGWCKCXZAILGL-UHFFFAOYSA-N 475.043 3.649 50 10 JHGE CN1CCC[C@H]([C@@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2340027994 VHTDAOXVHZFRSN-NEPJUHHUSA-N 478.577 3.805 50 10 JHGE CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c(SC#N)c1C 8896979 MDNLQCKYWQGVHI-HNNXBMFYSA-N 497.595 3.737 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12570171 IAQBCZIWGZYNMF-MRVPVSSYSA-N 491.740 3.658 50 10 JHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1Br 14660473 WWSPRGPUUKBPJV-UHFFFAOYSA-N 484.803 3.768 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C\c2cccc3ccccc23)c1 34984131 JAADPIFHWKYDDN-SEYXRHQNSA-N 474.586 3.911 50 10 JHGE O=C(NNc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-])c1ccccc1Br 40658381 ZEYQSHJTMGWQFI-UHFFFAOYSA-N 465.214 3.926 50 10 JHGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823042 LJUSGDMLSFYGOY-YZSQISJMSA-N 482.338 3.973 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OC)c2)c(OC)c1 98027966 LMBCHYFHZSHDFH-BOIKWEOWSA-N 462.502 3.930 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2cc(Br)sc2Br)C1 386517625 NDOGAESQTFVGGR-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721567729 TXYBTHXWCYLQGY-OASPWFOLSA-N 450.114 3.775 50 10 JHGE Cn1cc(C(=O)NNC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c2ccccc21 728942115 MEHNKJAVGXCQHF-JOCHJYFZSA-N 484.000 3.628 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2cc(C)cc(C)c2)cc1 730551881 CAQFFTUXAUBMJN-MAGMUUGSSA-N 471.561 3.835 50 10 JHGE Cc1cc(Br)c2c(c1)C(=NNC(=O)COc1ccc(Cl)cc1Cl)C(=O)N2C 1082990362 PGMPEKXFUHYUES-UHFFFAOYSA-N 471.138 3.940 50 10 JHGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)c1 1084023271 UFEJFKPBHDDYIA-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE COC1CC(CCl)(NC(=O)c2cc(I)ccc2Br)C1 1899894780 AMUOAVCVWIGTDY-UHFFFAOYSA-N 458.521 3.570 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC=C[C@@H]1CBr 2026225083 YSOTYNGKLQGREG-SECBINFHSA-N 470.930 3.829 50 10 JHGE C=CCn1ncc(NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1=O 2125302780 XKTHJIPOSGAMID-UHFFFAOYSA-N 465.439 3.510 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@]2(NS(=O)(=O)c3ccc(CBr)cc3)C[C@H]2C1 2162590058 XISWFUWEGBUWNI-HNAYVOBHSA-N 459.406 3.649 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@](=O)(=NC(=O)N1CCC(Br)CC1)C2 2162870442 FBKQLIXKAWTGER-XRHLQHRESA-N 464.426 3.607 50 10 JHGE CN(C(=O)c1cc(I)ccc1O)C1(CBr)CCSCC1 2171181917 LRKNJBVDKSFVLE-UHFFFAOYSA-N 470.170 3.730 50 10 JHGE Cc1ccc(NS(=O)(=O)N2CCC(Br)CC2)cc1CNC(=O)OC(C)(C)C 2239848099 QEIXJMJXTYPEPF-UHFFFAOYSA-N 462.410 3.536 50 10 JHGE Cc1ccc(I)c(C(=O)N2CC[C@H](OCCCBr)C2)c1 2240904694 AXJRHTOAOBIHPJ-LBPRGKRZSA-N 452.130 3.616 50 10 JHGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(Cl)c1C 2317611636 CIYAKMSPJNVWEQ-QFIPXVFZSA-N 492.768 3.584 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 2324295023 MSGAAADUASXSNL-UHFFFAOYSA-N 466.607 3.779 50 10 JHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)Nc2ccccc2)c(C(C)C)cc1Br 13976482 XZWIZFHJGNKZTP-UHFFFAOYSA-N 479.400 3.987 50 10 JHGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)ccc1Cl 33467782 DMZXTTWAPAHZOB-GTVARFKMSA-N 478.936 3.959 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-] 40658512 GCGSAKSPGBHDOE-UHFFFAOYSA-N 477.250 3.796 50 10 JHGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816147 USLQSPNYHNBERF-LGUFXXKBSA-N 462.462 3.984 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 40852824 JUXVGNLWLHSKCJ-KPSZGOFPSA-N 463.071 3.899 50 10 JHGE CCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)c(Br)c1 40993119 YCZNHZKZQJFZRG-LDADJPATSA-N 487.350 3.665 50 10 JHGE Cc1cccc(NCc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2-c2ccccc2)c1 59808733 VLCJENBMLCMSMX-UHFFFAOYSA-N 472.574 3.741 50 10 JHGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc(OC(=O)N2CCOCC2)c1)c1cccs1 254341116 OOSIZFRRYIFNQD-UHFFFAOYSA-N 478.530 3.595 50 10 JHGE CCOC[C@@H](Br)CNC(=O)c1cc(I)ccc1Br 311177806 XADFLHSFQRWDDI-QMMMGPOBSA-N 490.961 3.584 50 10 JHGE Cc1ccc(OCC(=O)NN=C2C(=O)N(CCOc3ccccc3)c3ccccc32)cc1Cl 1083863530 JHAPZBSTBIFABL-UHFFFAOYSA-N 463.921 3.973 50 10 JHGE C=CCn1nc(C)c(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1C 1084128850 CPFFPIVBSHAISZ-UHFFFAOYSA-N 472.578 3.571 50 10 JHGE CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)CSCc1c(Cl)cccc1Cl 1088732986 BEHPXVOMGOARCJ-QLMQOPPUSA-N 469.390 3.843 50 10 JHGE CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccccc3S(=O)(=O)NC(C)(C)C)o2)cc1 1566606477 OVLFUTSVPUMTNY-UHFFFAOYSA-N 455.536 3.983 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1 1673760446 RAJRVPMIRCKFNG-CQSZACIVSA-N 453.417 3.759 50 10 JHGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1cccc(C(F)(F)F)c1 1860769973 NXPPRUFFBTVTKC-UHFFFAOYSA-N 472.448 3.605 50 10 JHGE Cc1nc(C)c(CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866569785 DXDYPTGHLYLPHI-HXUWFJFHSA-N 466.588 3.947 50 10 JHGE O=C(CCl)NC(=O)Nc1cc(Br)c(I)c(Br)c1 1946435211 SUOSFEPQSIHMBN-UHFFFAOYSA-N 496.324 3.703 50 10 JHGE O=S(=O)(NCCCCCCI)[C@H]1C[C@H](OCc2ccccc2)C1 1977072729 USMOWTYTJKGJQA-QAQDUYKDSA-N 451.370 3.649 50 10 JHGE O=C(NC[C@H](Cl)C(F)(F)F)c1cc(Br)ccc1I 2077140444 SHBQAPFLTXQGNZ-QMMMGPOBSA-N 456.427 3.953 50 10 JHGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123232918 XJVBJIGUYBCGNQ-DLBZAZTESA-N 455.443 3.786 50 10 JHGE O=S(=O)(c1cscc1Br)N1CC[C@](CBr)(C(F)(F)F)C1 2167689841 LNGMGVTUONOOSQ-SECBINFHSA-N 457.131 3.849 50 10 JHGE CC[C@@H]1CN(S(=O)(=O)c2ccc(CCBr)cc2)CCN1Cc1ccccc1 2179789947 XTGHZJYSJRLXRO-HXUWFJFHSA-N 451.430 3.909 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccccc1CCBr 2230680137 YCNQAVBQXVLXQF-UHFFFAOYSA-N 479.396 3.832 50 10 JHGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1[C@H]2COC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2241735870 WILUIWXMMSWZPE-YIDVYQOGSA-N 463.413 3.841 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2OCC[C@]2(CCl)C1 2296380793 NTXPQEVLXDVYII-JSGCOSHPSA-N 470.532 3.524 50 10 JHGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1ccccc1O 2296882174 LBPAKZZZNNAZHA-UHFFFAOYSA-N 475.617 3.677 50 10 JHGE N#CC(=Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1ccccc1 2297617434 OJVTXHDWHDOSFP-UHFFFAOYSA-N 455.923 3.635 50 10 JHGE C[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[C@@H]1Br 2338851516 FOJHSTKYUPIWOG-BXWFABGCSA-N 485.444 3.715 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2364019061 LEDFTTJWTULXGH-XHNCKOQMSA-N 470.003 3.866 50 10 JHGE COc1ccc(NC(=O)C2=C3SCC(=O)N3C(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)cc1 2627783 CCLUAQXWUJZGNI-SFHVURJKSA-N 452.923 3.565 50 10 JHGE CCOC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)c(SC#N)c1C 10029484 CUWFWQCJXKWTSX-UHFFFAOYSA-N 468.578 3.618 50 10 JHGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1OC 12493436 WOGLXWRNIYQUNP-OQLLNIDSSA-N 451.523 3.697 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccc(Cl)cc2)c(Br)c1 14002272 IBZDRLMJGXSBKY-UHFFFAOYSA-N 498.830 3.869 50 10 JHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 14029761 HMJZNMJDVUYKNT-UHFFFAOYSA-N 494.411 3.733 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14652803 NNIZOEDJUHBHKG-UHFFFAOYSA-N 462.344 3.907 50 10 JHGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)c(Br)c1 14654272 YEBWPYSSFSVOOJ-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCN(C(=O)[C@@H](C)Cl)CC1 23305804 XGQLSBVWNCTWMD-LLVKDONJSA-N 459.761 3.779 50 10 JHGE C[C@H](CCl)CS(=O)(=O)Nc1cc(Br)ccc1I 304217455 ZOHSOEDFMPJXRO-SSDOTTSWSA-N 452.539 3.670 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 761396090 BSFHPBVRRGKUPF-LSPINASFSA-N 483.484 3.670 50 10 JHGE COc1cc(C=NNC(N)=O)cc(I)c1OCc1ccccc1Cl 1084082560 SFJYCASUVQPZFD-UHFFFAOYSA-N 459.671 3.534 50 10 JHGE O=C(CSCc1ccccc1Br)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084472177 MAAWQWPAPNPDRV-UHFFFAOYSA-N 493.383 3.577 50 10 JHGE COc1cc(C=NNC(=O)CNc2ccc(Br)cc2)cc(Br)c1OC 1084475861 XPIZAYVFFTYLME-UHFFFAOYSA-N 471.149 3.791 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(Cl)s4)c(=O)c23)cc1 1860770294 BPOBGWYMSLKJHO-UHFFFAOYSA-N 458.952 3.610 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)Cc3ccc(Br)s3)c(C)n2)cc1 1865757004 JCKPPCYRJPFZJW-UHFFFAOYSA-N 460.353 3.893 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2n[nH]c3c2CCCC3)cc1 1866849957 LLPOBPXKXTZKML-NRFANRHFSA-N 461.547 3.547 50 10 JHGE O=S(=O)(NC[C@]1(CBr)C[C@H]1C(F)(F)F)[C@H]1C[C@H](OCc2ccccc2)C1 1877514765 VIQLXZYAJRNDHG-KLHDSHLOSA-N 456.324 3.617 50 10 JHGE CCCN1CC[C@H]([C@H](Br)c2cccc(F)c2I)S1(=O)=O 2145767827 FIJZKFXPFOSGDB-VXGBXAGGSA-N 476.149 3.680 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC2(C1)OCCC[C@H]2Br 2159658227 FXQFEXBVWRJAPF-GFCCVEGCSA-N 470.532 3.713 50 10 JHGE O=S(=O)(N(Cc1ccccc1)CC1CCOCC1)N1CCC[C@@H](CCBr)C1 2179952898 SJDASYOJEYCGJG-IBGZPJMESA-N 459.450 3.657 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H](CCl)OCC12CC2 2183965050 DJLSXNWIWDSERQ-SNVBAGLBSA-N 470.532 3.666 50 10 JHGE COCCN(C[C@@H](C)Cl)C(=O)c1ccc(Br)cc1I 2272426243 OZOVHNGUXKTPTA-SECBINFHSA-N 460.537 3.770 50 10 JHGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1 2293202150 KBUPGIOFKNEDBX-UHFFFAOYSA-N 489.528 3.666 50 10 JHGE CC(C)c1ccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2324234741 IAVCPKRSEDJWLY-UHFFFAOYSA-N 488.997 3.942 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCOCCI)CC2)C1 2326655327 WUVHCLPDOXUNNX-KRWDZBQOSA-N 466.404 3.797 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCC[C@@H](Br)C1 2338836770 NGXVFJTXIMJNAL-DLBZAZTESA-N 485.444 3.716 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1Br 2338853002 UUCMZNIZOZNVRN-HZPDHXFCSA-N 485.444 3.524 50 10 JHGE CC(=O)OCC(=O)[C@@]1(O)[C@@H](Br)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4722816 PWVPSOWELFUEGX-YYXSXRTQSA-N 467.400 3.755 50 10 JHGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1 10295754 PKVJMJOPYLJOGJ-MRXNPFEDSA-N 451.548 3.732 50 10 JHGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040771 WHGMMNVFKSISAB-UHFFFAOYSA-N 499.976 3.512 50 10 JHGE Cc1cccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1C 14648977 RJXZAAQUVUCJCL-CYBMUJFWSA-N 455.736 3.713 50 10 JHGE O=C(NNc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658675 FPCRHNIYQIUZTI-UHFFFAOYSA-N 465.760 3.725 50 10 JHGE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc(F)cc2)C1 59378233 MZNFASXCGNFWCK-GTPWMTBTSA-N 469.517 3.583 50 10 JHGE COC[C@@H](Br)CCNC(=O)c1cc(I)ccc1Br 230139901 SQTWGGUEXVQSML-QMMMGPOBSA-N 490.961 3.584 50 10 JHGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1ccc(Cl)cc1 256028520 SAGZOJMCGKYXOM-UHFFFAOYSA-N 477.999 3.994 50 10 JHGE O=C(CSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1)NNC(=O)c1ccc(Cl)cc1 1084042387 YGPALXINGLDDCJ-UHFFFAOYSA-N 498.783 3.764 50 10 JHGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c2ccccc21 1084072070 ILCREQQHGDJYCR-IBGZPJMESA-N 462.594 3.724 50 10 JHGE COc1ccc([N+](=O)[O-])c([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)c1 1614639280 QPTKSIJYZXYDNS-RISCZKNCSA-N 462.284 3.989 50 10 JHGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3cccc(Cl)c3)c(C)c21 1772746241 STFMFWKPZYEJMF-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE COC[C@@](C)(CCl)CNC(=O)c1cc(I)ccc1Br 1926962873 BWIOVBKQVHIPAX-ZDUSSCGKSA-N 460.537 3.675 50 10 JHGE COCC1(NC(=O)OC(C)(C)C)CC(NCCSSCCNC(=O)OC(C)(C)C)C1 1985349754 FPCULPBFAXWENO-UHFFFAOYSA-N 465.682 3.554 50 10 JHGE CCN(C[C@](C)(CI)OCCCN1CCCC1)C(=O)OC(C)(C)C 2007040148 MREOEHAUWAZSQQ-SFHVURJKSA-N 454.393 3.940 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H](F)[C@H](Br)C1 2020427065 DDUWWXAOMZJCFX-BDAKNGLRSA-N 476.909 3.611 50 10 JHGE C[C@]1(CCl)COCCN1C(=O)c1cc(I)ccc1Br 2112716061 NBHGQDFXOWJVQK-ZDUSSCGKSA-N 458.521 3.524 50 10 JHGE O=S(=O)(c1csc(CBr)c1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2123229471 KKGBEQDWONXLSF-IRXDYDNUSA-N 455.443 3.786 50 10 JHGE C[C@]1(C2CC2)CN(S(=O)(=O)c2ccc(CBr)o2)CCN1Cc1ccccc1 2179870565 NHKHHUNINWFLCM-HXUWFJFHSA-N 453.402 3.850 50 10 JHGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)N1CCC(CCBr)CC1 2179953446 ACFYITJCEZDJBQ-UHFFFAOYSA-N 460.482 3.572 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N3CCOCC3)c(Oc3ccc(Cl)cc3Cl)nc12 2296723159 KXSIOYWTMSQGCG-UHFFFAOYSA-N 485.327 3.868 50 10 JHGE CCc1cccc2c(C=C(C#N)C(=O)NCc3ccc4c(c3)OCO4)cn(CC(=O)N3CCCC3)c12 2313624051 KMNQJLRRPOKFSB-UHFFFAOYSA-N 484.556 3.778 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](Br)CC12CC2 2338853592 YHUUJMZOYGICGU-MRXNPFEDSA-N 483.428 3.565 50 10 JHGE O=S1(=O)CC[C@@H]([C@H](CCl)Cc2ccc(I)c(Br)c2)C1 2349856467 VUSWVXSBTULWRF-MNOVXSKESA-N 477.589 3.886 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2364213613 HYEOYWKQQOXEBL-ABSDTBQOSA-N 497.455 3.811 50 10 JHGE CC(C)(C)OC(=O)N1CC(N(CC2CCOCC2)C[C@]2(CBr)CC2(F)F)C1 2379986177 OLDWYXFZIPYXGF-GOSISDBHSA-N 453.368 3.755 50 10 JHGE COc1cc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc(OC)c1OC 12403509 XNDPURPKPDQJBH-UHFFFAOYSA-N 495.370 3.612 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C)cc1Br 14041443 BWLRSFOIUCXFNR-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1 20923002 MPJWEZMHLXISAL-UHFFFAOYSA-N 492.492 3.535 50 10 JHGE CCCCCOc1ccc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 214429903 KKKUGHIZQIGOGD-ZHZULCJRSA-N 454.523 3.810 50 10 JHGE COc1ccc(CCNC(=O)/C(C#N)=C\Nc2ccc(I)cc2C)cc1 216918524 VMUAAZRKQUESTD-SSZFMOIBSA-N 461.303 3.787 50 10 JHGE O=C(NN=Cc1c(O)ccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254384586 BYFROVUPSHMZKR-UHFFFAOYSA-N 458.518 3.697 50 10 JHGE ClCCCc1cn(-c2cc(I)cc(I)c2)nn1 690362107 COMVCCGYLCUPFC-UHFFFAOYSA-N 473.483 3.648 50 10 JHGE CN([C@@H]1COC[C@@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 709433744 ZUMFRYNYCKGRSN-OIBJUYFYSA-N 467.994 3.539 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCSC[C@@H]1CCl 721576239 DKDYHUNHCGEEKD-VIFPVBQESA-N 460.562 3.850 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)NCc2ccccc2NS(=O)(=O)c2ccccc2)cc1 726714577 FZCSMEFRVZWESJ-UHFFFAOYSA-N 480.590 3.929 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)NNC(=O)c2cccc3cccnc23)CC1 728952351 NHFGKRJWZUPPCF-FQEVSTJZSA-N 467.570 3.701 50 10 JHGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 1135463278 XTWRIFWAQZRYNS-UHFFFAOYSA-N 459.531 3.944 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2c(F)cc(F)cc2Br)cc1 1668897541 NOLQYUQMGWGVDK-JTQLQIEISA-N 456.243 3.550 50 10 JHGE COc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Cl)C(=O)N2C(C)C 1772720404 LCEPEEMHNQASIL-UHFFFAOYSA-N 484.984 3.914 50 10 JHGE CCCc1nn(C)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709418 VGLQHDZHJBSVEG-QHCPKHFHSA-N 481.597 3.627 50 10 JHGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)c1sc(-c2cnccn2)nc1C 1865757110 NKSNNNCBWKLYLU-UHFFFAOYSA-N 466.473 3.632 50 10 JHGE O=C(N[C@@H](CCl)C[C@@H]1CCCO1)c1cc(I)ccc1Br 1926748247 HGARANHOSHEIFM-MNOVXSKESA-N 472.548 3.960 50 10 JHGE O=C(N[C@@H](CBr)c1cscn1)c1cccc(F)c1I 2119045516 OJWVYMRKCMZFJA-VIFPVBQESA-N 455.090 3.753 50 10 JHGE C[P@]1(=O)C[C@@H](Cl)[C@H](NC(=O)c2cc(Br)ccc2I)C1 2121338828 VSIWADKFHKWUAA-UYKLKCEZSA-N 476.476 3.766 50 10 JHGE CC(C)(C)OC(=O)NCC1(F)CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 2163059987 YEBPPFXPPOGIJM-UHFFFAOYSA-N 465.385 3.599 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179835793 XHNPVZDWGQCVNS-FQEVSTJZSA-N 453.402 3.851 50 10 JHGE COc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C[C@H]1CCCO1 2179857552 AVMXQGVPPSDHAS-GOSISDBHSA-N 454.386 3.960 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](CBr)OCC12CC2 2183975363 XTNXWTZPBQSLHN-SNVBAGLBSA-N 470.532 3.713 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184577394 JSQBKFMANDGNGM-YHPBZONMSA-N 450.114 3.775 50 10 JHGE BrC[C@@H]1CO[C@H]2CN(Cc3ccc(Br)cc3Br)C[C@H]2O1 2279861416 FVODKPIDLIWOPA-KWCYVHTRSA-N 469.999 3.575 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1C[C@@H](CBr)CO1 2295311514 LUVMVASNSNSFID-GXFFZTMASA-N 469.999 3.670 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@@H]1[C@@H]2CBr 2311863907 GGAGKTLXXOBVLU-KBVBSXBZSA-N 484.957 3.909 50 10 JHGE CC(C)(CI)CN1CC[C@H](N2CCC(NC(=O)OC(C)(C)C)CC2)C1 2326673946 XIKMAKWLTIVYCQ-INIZCTEOSA-N 465.420 3.511 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NCC[C@@H]1CCC[C@H]1Br 2338681106 WPLLVYZCJIGBJF-JGVFFNPUSA-N 457.992 3.629 50 10 JHGE CN([C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12)S(=O)(=O)c1c[nH]c(CBr)c1 2357091142 HMNLMAYYHFWBAN-UHMOLFJZSA-N 453.402 3.914 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 38658404 UAAIPLAMJPBNPW-AREMUKBSSA-N 488.496 3.915 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 40648865 QRPXSNUJCUQQKO-UHFFFAOYSA-N 494.251 3.866 50 10 JHGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccc(F)cc3)c2[N+](=O)[O-])cc1Cl 40657983 YBKYASPEHSLYNG-UHFFFAOYSA-N 462.825 3.695 50 10 JHGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)cc1 40816162 INCGIMAUFTVTEH-VFCFBJKWSA-N 475.501 3.863 50 10 JHGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc1OC 101339333 XZNVWMBNTDIBFU-YBFXNURJSA-N 492.528 3.565 50 10 JHGE Cc1ccc(OCCn2cc(/C=C(/C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)cc1C 214000550 YVRXOLXUMONFHZ-JWGURIENSA-N 470.573 3.968 50 10 JHGE C=CCn1c(COc2ccccc2)nnc1SCC(=O)NN=Cc1cc(Cl)ccc1O 252617307 KQDWQPDCUCOLPB-UHFFFAOYSA-N 457.943 3.645 50 10 JHGE COCCNC(=O)Cn1cc(C=NNC(=O)c2ccc(Oc3ccc(O)cc3)cc2)c2ccccc21 254797707 KVJLOFUTHBNXJK-UHFFFAOYSA-N 486.528 3.666 50 10 JHGE Fc1cc(CCl)cc(-n2cnc(I)c2I)c1 380890295 MZXRQDJMEOSAQY-UHFFFAOYSA-N 462.431 3.959 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c(C)n1C1CCCCC1 725906851 GZIXAZQLDIMBMZ-INOOMSPWSA-N 453.631 3.576 50 10 JHGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccc(I)o1 1084339537 FXOHAWQOXPZKJD-UHFFFAOYSA-N 488.288 3.645 50 10 JHGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 1637734429 DCEAZLDMYAAQJN-GOSISDBHSA-N 455.559 3.704 50 10 JHGE CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866807098 JAVNKARJFCHXHW-GOSISDBHSA-N 496.010 3.619 50 10 JHGE C[C@H](Br)[C@@H](NC(=O)Cc1ccccc1I)C(F)(F)F 1882674174 LBIDRLAKDMRUNJ-WRWORJQWSA-N 450.036 3.664 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@@H]1C[C@H]1C1CCOCC1 1910876211 COFRKITVSGCMLB-MPGHIAIKSA-N 453.361 3.784 50 10 JHGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1958927974 HOHWEPZOFGMTGF-FKBYEOEOSA-N 482.440 3.976 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1[C@H](NC(=O)OC(C)(C)C)COC1(C)C 1993630564 MTBLFZIEIRGUII-CABCVRRESA-N 465.682 3.553 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)[C@@H]2COC[C@H]21 2040608976 XLZXGYIZQVBYTJ-BIIVOSGPSA-N 459.985 3.507 50 10 JHGE CCOC(=O)c1cc(I)c(I)cc1CBr 2055231105 JXWCRTHDSXGCNM-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC=C(C#N)CC2)cc1I 2060728221 MFQRZVKESLWUGU-UHFFFAOYSA-N 453.280 3.934 50 10 JHGE C[C@@H]1[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C2CCN1CC2 2077344988 ZQSYXWRREXKDGL-ZBFHGGJFSA-N 464.388 3.690 50 10 JHGE CN1CCC[C@H]([C@@H](Br)c2ccc(I)c(Cl)c2)S1(=O)=O 2089532320 RBSDHEGMOFPTKS-NEPJUHHUSA-N 478.577 3.805 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1cc(Br)ccc1OC 2235934632 DAZVDRSYGTWNHM-ONGXEEELSA-N 476.174 3.586 50 10 JHGE BrC[C@@H]1CO[C@@H]2CN(Cc3cccc(Br)c3Br)C[C@@H]2O1 2279867406 OMUXBGGNBQTOAB-RTXFEEFZSA-N 469.999 3.575 50 10 JHGE O=S(=O)(Cc1ncsc1Br)N[C@H](CCCl)COCc1ccccc1 2303766133 DZUIZRSBPYRHBC-CYBMUJFWSA-N 453.811 3.539 50 10 JHGE CC(C)(CI)CN1C[C@H](NC(=O)OC(C)(C)C)C[C@@]12CCCOC2 2306817488 ZPNDTKVNCOCBBE-RDTXWAMCSA-N 452.377 3.596 50 10 JHGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NNC(=O)CSc1nc2ccccc2s1 2321684693 NHGFFZVNGHDGLZ-UHFFFAOYSA-N 484.559 3.824 50 10 JHGE CCc1cnn(CCO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C)c1 2322611320 GPMRCAVOZPNNHL-GOSISDBHSA-N 465.376 3.913 50 10 JHGE COCCOc1ccc(C=C(C#N)C(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2ccccc2)cc1 2331122056 COVAHQGPPZBLHH-SANMLTNESA-N 490.581 3.950 50 10 JHGE C[C@@H]1C[C@H](CBr)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338842901 NSXUOXMFJUBKRG-IAGOWNOFSA-N 485.444 3.526 50 10 JHGE Cc1cccc(C(=O)N(CCBr)C2CCOCC2)c1I 2381883122 XIVDFHZFMXFBIF-UHFFFAOYSA-N 452.130 3.616 50 10 JHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCCC)cc2)c1 14041973 RQLBXRDCLYYPTI-UHFFFAOYSA-N 470.595 3.944 50 10 JHGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccs1 14651234 DVGVDDYBGGKSND-UHFFFAOYSA-N 470.414 3.885 50 10 JHGE C[C@@H](Oc1ccccc1C#N)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 29009768 IGBOARVVORBQPN-GOSISDBHSA-N 451.486 3.639 50 10 JHGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 103728839 JBTBBXCNLXDJKL-WSDLNYQXSA-N 481.377 3.733 50 10 JHGE CCCCCOc1ccc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 214436793 QXDCCERSEUITMQ-JWGURIENSA-N 498.576 3.826 50 10 JHGE CC1(C)CN(C(=O)c2cc(Cl)ccc2I)C[C@@H](CBr)O1 232794197 KOQLJJCLMWLXAD-SNVBAGLBSA-N 472.548 3.959 50 10 JHGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(OC)cc2)NC(=O)c2ccccc2)ccc1O 254382185 XBBCQSJZNJDZHU-ILOYKCLFSA-N 459.502 3.721 50 10 JHGE CCOC(=O)[C@H](Br)Cc1ccc(I)cc1Br 300911861 ROUSNRMDAFZQSJ-SNVBAGLBSA-N 461.919 3.923 50 10 JHGE O=C(NCCN1CCC(Br)CC1)c1ccc(Br)cc1Br 321507227 NNGLUWBDFMSAMH-UHFFFAOYSA-N 469.015 3.801 50 10 JHGE O=S1(=O)CC(CC(CBr)(CBr)c2cccc(Br)c2)C1 722784963 YOINHTXWBIWWOK-UHFFFAOYSA-N 475.040 3.911 50 10 JHGE COc1ccc(NCC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 727848275 GRFVJLGHFNHKRA-UHFFFAOYSA-N 475.480 3.788 50 10 JHGE Cc1ccc(CNC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 729344149 BOKQEWHSPWBBCC-VRMLFSPKSA-N 467.529 3.927 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC2CC1(CBr)C2 822169947 FKXUTVKJJZQONL-UHFFFAOYSA-N 474.012 3.760 50 10 JHGE O=C(NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21)c1cc(Br)ccc1O 1084277856 PYURJCLEBKFTIS-UHFFFAOYSA-N 468.282 3.975 50 10 JHGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NN=c2cc[nH]c(C)c2)c1 1167537774 BSMBSBHVKLHRBA-UHFFFAOYSA-N 456.955 3.604 50 10 JHGE O=C(NNC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(Br)cc1 1321454181 INVTZCXUZGVLFQ-UHFFFAOYSA-N 459.369 3.736 50 10 JHGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=S)Nc1cccc(Cl)c1 1440592388 VEQMNTDWCXTVGF-UHFFFAOYSA-N 456.749 3.702 50 10 JHGE C=C(C)[C@H](NC(=O)NNC(=O)COc1ccccc1Br)c1ccc(F)c(F)c1 1634439116 GMBIVYRXFRJSLK-SFHVURJKSA-N 454.271 3.754 50 10 JHGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865710698 FNNSDXJNZBPWBG-JOCHJYFZSA-N 450.470 3.623 50 10 JHGE CC[C@@](C)(NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1867223788 XRUXLCLPQIZPQF-RUZDIDTESA-N 481.622 3.557 50 10 JHGE O=C(C=Cc1ccccc1)NCCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 2040445069 YZDMRFAAEQELAD-UHFFFAOYSA-N 477.948 3.900 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@H]1C(C)(C)C 2128678238 GCOWEPKAXMHPPB-IRXDYDNUSA-N 485.444 3.523 50 10 JHGE O=S1(=O)CC[C@H](CC(CBr)(CBr)c2ccccc2Br)N1 2146192587 QXQYADSMOXNJCM-SNVBAGLBSA-N 490.055 3.559 50 10 JHGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)N1CCC(Br)CC1 2163055160 DRPVYYLBABUGED-INIZCTEOSA-N 458.319 3.887 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@]2(CCl)CCC[C@@H]12 2165236981 VVGQSDNGWGSCNP-XMSQKQJNSA-N 453.004 3.512 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CCBr)cc1 2179776069 QRPURDXWNOXRFY-SFHVURJKSA-N 451.430 3.909 50 10 JHGE CCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)cc1CBr 2179788598 FBDILCVEAWSOTH-KRWDZBQOSA-N 454.434 3.688 50 10 JHGE CC(C)(CCCl)S(=O)(=O)c1ncc(I)cc1Br 2252772815 GMJXLYMNJTVCEQ-UHFFFAOYSA-N 452.539 3.630 50 10 JHGE CC(C)[C@@H]1C[C@@](NCC2CC(Br)C2)(C(=O)O)CN1C(=O)OCc1ccccc1 2324779240 JLXYZKVPKMXLOZ-XVAHUTHZSA-N 453.377 3.640 50 10 JHGE Cn1nc(CNCC(F)(F)C(F)(F)CI)c(Br)c1Cl 2336535729 CXJWHOJNYAEYKZ-UHFFFAOYSA-N 478.453 3.631 50 10 JHGE C[C@@H]1C[C@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843515 AKLWTSCYESOXGO-IAGOWNOFSA-N 485.444 3.668 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)c2ccc(Cl)cc2I)C1 2340060027 YJWDADKDCFYOEF-ZDUSSCGKSA-N 458.521 3.571 50 10 JHGE O=S(=O)(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12)c1cc(Br)ccc1Br 2354928288 LMZRLERPDFODPB-ZFNBHVESSA-N 488.039 3.909 50 10 JHGE NNC(=O)c1ccc(CSc2cc(I)ccc2Br)cc1 2363658807 POZNUJDZGKSBFQ-UHFFFAOYSA-N 463.138 3.950 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)C1(CBr)CCSCC1 2364024416 MASRJWLQTOADJO-UHFFFAOYSA-N 490.059 3.678 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](NC[C@H]2C[C@@H](Br)C2)(C(=O)O)[C@@H]1C(F)(F)F 2378836541 YTHOFZFOUMOGII-JBBSTSQOSA-N 459.303 3.535 50 10 JHGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1Br 12570496 XHAQMYTYKNHSEM-UHFFFAOYSA-N 494.411 3.604 50 10 JHGE O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041907 CSZDPJZNMAELCM-UHFFFAOYSA-N 467.978 3.840 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644399 PQOZBKSVWYTFSZ-LBPRGKRZSA-N 455.736 3.659 50 10 JHGE COc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(C[C@H]2CCCO2)C(=O)CCl)cc1OC 97914814 RNESDWUDBQDINA-BLHMYYFCSA-N 467.006 3.686 50 10 JHGE Cc1cccc(Cn2cccc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)c2=O)c1 109109694 UJRLUPZAOXIFQX-UHFFFAOYSA-N 467.525 3.712 50 10 JHGE CCc1c(C)nc(SCC(=NNC(=O)c2cccc(O)c2)c2cccc([N+](=O)[O-])c2)nc1O 254514536 USEOSPUIVGEOMZ-UHFFFAOYSA-N 467.507 3.593 50 10 JHGE CC(C)[C@@H](CBr)Cn1cnc(I)c1I 308541743 MWJFITPMUIXWII-ZETCQYMHSA-N 482.929 3.759 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC1C[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C 1255054793 KRAFGNWTKGROTQ-ALOPSCKCSA-N 477.693 3.649 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)CC[C@@H]21 1260505951 XSCZHYWQIIKWRN-RDJZCZTQSA-N 459.406 3.602 50 10 JHGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 1585926073 FKWRXPQJOWRDDU-LUAWRHEFSA-N 450.421 3.732 50 10 JHGE CCOC(=O)Cc1ncc(I)c(CBr)c1OC(F)(F)F 1848387604 HENWOQZLOIFUSP-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCOc1cc(C)c(S(=O)(=O)NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1C 1858081696 AIWLAPUVQKJZBC-UHFFFAOYSA-N 463.556 3.672 50 10 JHGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714297 GRNRTOPDYQAMTC-HXUWFJFHSA-N 452.430 3.766 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3S(=O)(=O)CC(C)C)c(C)n2)cc1 1865757332 XTCKHGQHDGSMIZ-UHFFFAOYSA-N 481.574 3.570 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1O 1873795130 SRGWMJNDUYVSDB-WQGFDPGOSA-N 462.344 3.741 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@]2(CCC[C@H]2Br)C1 1918937618 JMLPWTIQABRNAV-UKRRQHHQSA-N 450.114 3.777 50 10 JHGE COC[C@](C)(CCl)CNC(=O)c1ccc(I)c(Br)c1 1926995183 NOJITSQDGWRLLF-CYBMUJFWSA-N 460.537 3.675 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1CCC(Br)CC1)C(F)(F)C(F)(F)F 2162491016 VMRLVHVIMWSOGG-SNVBAGLBSA-N 468.261 3.646 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](C)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2162590606 CWYUDGMYWNHGAX-LJQANCHMSA-N 461.422 3.897 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H]1CCNC(=O)OC(C)(C)C 2163053451 NOWVTXJDYSEEEZ-ZBFHGGJFSA-N 461.422 3.753 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1S(=O)(=O)c1ccc(CBr)cc1 2163056481 SDTUHPZKLYSPDQ-RRFJBIMHSA-N 461.422 3.988 50 10 JHGE O=C(O)CSc1nc2cc(I)ccc2n1[C@H]1C[C@@H](Br)C1 2183098154 GNLRNHIATMEFMT-OTSSQURYSA-N 467.126 3.916 50 10 JHGE O=C1[C@H](Br)CCCN1c1ccc(Br)cc1I 2212574241 KNGRKESCKRPUBR-MRVPVSSYSA-N 458.919 3.944 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)Cc1cccc(Br)c1 2226100841 DCMGSJJXUYZLOL-MFKMUULPSA-N 460.175 3.718 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2nscc2Br)C1 2227092192 MTAUOINKQPUZPT-MRVPVSSYSA-N 496.084 3.659 50 10 JHGE CCN1CCC[C@@H]([C@H](Br)c2cc(C)ccc2I)S1(=O)=O 2240992289 WNRVORKKIDQBCE-UONOGXRCSA-N 472.186 3.850 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)c2ccc(Cl)c(I)c2)C1 2268345780 OEOZYWBINVDHHH-CYBMUJFWSA-N 458.521 3.571 50 10 JHGE CC1(C)OCCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CCl 2282889786 WJRKEGUUDPMOEG-GFCCVEGCSA-N 472.548 3.912 50 10 JHGE C[C@@]1(NC(=O)c2cc(I)sn2)C[C@H]2CC[C@H]1C[C@@H]2Br 2352769186 UMLQUWSWJXETLM-MRCNFZFLSA-N 455.159 3.820 50 10 JHGE Cc1cccc(OCC(=O)N/N=C/c2c(C)c(Br)c(O)c(Br)c2O)c1 3096687 GJWRVLTZCFOUQV-IFRROFPPSA-N 472.133 3.769 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c(Br)c1 12403432 LVGMUSXCWZDDTH-UFFVCSGVSA-N 450.289 3.890 50 10 JHGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 14644963 OHCQQDUZKAKEDY-UHFFFAOYSA-N 470.595 3.655 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(OCC)cc1 14652712 DZNNKXAESDFFAO-UHFFFAOYSA-N 492.370 3.817 50 10 JHGE COCCNC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21 33932834 ZWNQLHGUWPADMM-BOPFTXTBSA-N 450.926 3.911 50 10 JHGE O=C(NNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1)c1ccncc1 39852184 WHDNFQNRVZOPDW-UHFFFAOYSA-N 467.407 3.720 50 10 JHGE O=C(/C=C\c1ccccc1)NCCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 96652900 YZDMRFAAEQELAD-NVNXTCNLSA-N 477.948 3.900 50 10 JHGE COc1cc(/C=C\C(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)cc(Cl)c1OC 96942021 FKTWECGCJBOTRB-KTKRTIGZSA-N 467.909 3.804 50 10 JHGE CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)cc1 102459748 BMLVQCXJXVUBMP-VBKFSLOCSA-N 453.549 3.706 50 10 JHGE CCCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 139099523 GHUSIECPNOAPTI-ZMFRSBBQSA-N 468.579 3.675 50 10 JHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 209901419 OTMOVSVETLXMKG-YBEGLDIGSA-N 457.368 3.713 50 10 JHGE N#C/C(=C/N1CCN(c2ccccn2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216508608 VZZGPSXIDYGRIL-PNHLSOANSA-N 492.627 3.545 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H](CBr)O1 235337188 MJEQNBXHJYFASR-PSASIEDQSA-N 455.972 3.836 50 10 JHGE COc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)/C=C\c1ccccc1 254682577 IHNVJSYRANVWGA-RVCBRWQZSA-N 475.457 3.751 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)c2cc(Br)c(Br)s2)C1 401588741 PGALHHDWJNDYCH-LLVKDONJSA-N 462.001 3.899 50 10 JHGE CCOC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@H](C(=O)c2ccc(OC)cc2)N2C=C(C#N)C=C[C@@H]21 504579729 QRONPCGXIRMSDP-NXNJFABFSA-N 483.524 3.773 50 10 JHGE CC(=NNC(=O)c1sc(N2CCOCC2)nc1C)c1cc2cc(Br)ccc2o1 916339914 YXPAJWKQLPZKIB-UHFFFAOYSA-N 463.357 3.951 50 10 JHGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1865757187 QKUGUUXGWVCCRW-INIZCTEOSA-N 474.508 3.743 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1cc(I)ccc1Br 1910148986 HNMYRFRPXACUKW-WRWORJQWSA-N 472.946 3.909 50 10 JHGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)nn1C 1915087289 TXNTXSQXTKPOMB-CYBMUJFWSA-N 465.211 3.547 50 10 JHGE COC(=O)Cc1c(CBr)cc(I)cc1OC(F)(F)F 2055375983 XDIZXDWJGPBAPP-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NS(=O)(=O)c1ccc(CBr)cc1 2164514037 MLQRJEYRHULUDM-ABFRBSLYSA-N 459.406 3.552 50 10 JHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCl)CC1CCCCC1 2164515722 SEGPLUKFLSYPPI-IERDGZPVSA-N 458.983 3.508 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(CBr)c2F)CCN1Cc1ccccc1 2179860877 YYCWVXJYJJIHLS-CQSZACIVSA-N 459.356 3.755 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2204090175 OUPKITRXXIMAAJ-RCCFBDPRSA-N 497.455 3.668 50 10 JHGE ClCc1c(-n2cnc(I)c2I)ncc2c1CCC2 2315823760 LRRMFSBMOJTUCE-UHFFFAOYSA-N 485.494 3.704 50 10 JHGE O=C(C=Cc1ccccc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 2330159105 IGEAFIRPBIKQCG-UHFFFAOYSA-N 499.476 3.541 50 10 JHGE COC1CC(CBr)(NC(=O)c2ccc(Cl)cc2I)C1 2340056655 IRPJGQXZSVYWOW-UHFFFAOYSA-N 458.521 3.617 50 10 JHGE CCC[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H]1CBr 2364228270 KRIMQUSZRVZSRB-IUCAKERBSA-N 472.019 3.828 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)C)cc2)c(Br)c1 10453214 ASWMMXRQYNUSON-UHFFFAOYSA-N 478.412 3.849 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644252 WGPYVHJIJHHOMA-LLVKDONJSA-N 468.735 3.680 50 10 JHGE COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC 18200248 PESKOJIQMWFPLC-IZHWHUGBSA-N 492.528 3.938 50 10 JHGE O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1cccc2ccccc12 40658742 UQSMZIFEZVFPFD-UHFFFAOYSA-N 487.495 3.761 50 10 JHGE CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Br)cc2)cc1 59385516 BDSKIUJSUSDGNJ-DOUQRPAJSA-N 457.328 3.626 50 10 JHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 101234421 OTMOVSVETLXMKG-MHWRWJLKSA-N 457.368 3.713 50 10 JHGE CCn1c(NNC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)nc2ccccc2c1=O 108774371 WCQHXAHETGQTJP-UHFFFAOYSA-N 460.456 3.627 50 10 JHGE C[C@H]1CO[C@H](CCl)CN1C(=O)c1cc(Br)ccc1I 235600150 MMERLGFNAIROTK-WCBMZHEXSA-N 458.521 3.522 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1 254386305 HANKDBJEIYIABO-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE CCOc1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1OC 254865122 TVSYKTMKARTGMN-IFIDCECPSA-N 487.512 3.744 50 10 JHGE Brc1ccc(I)c([C@H]2CNC[C@H]2CI)c1 396777620 CTNUEOYJTJCCDM-XCBNKYQSSA-N 491.936 3.792 50 10 JHGE CCn1nnnc1COc1c(Br)cc(Br)cc1CBr 697856413 STIRRBGMVJTYTF-UHFFFAOYSA-N 454.948 3.692 50 10 JHGE O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)NNC(=O)c1cccs1 727896958 POUFDWVTBFRTAR-UHFFFAOYSA-N 480.477 3.586 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c(-c2ccccc2)n1 812501545 CCBREXVZDHWYTM-VOZFUJEASA-N 476.496 3.591 50 10 JHGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 1084610531 UHFIUJKCQHKJFL-UHFFFAOYSA-N 485.949 3.611 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2c(F)cc(F)cc2Br)cc1 1668897543 NOLQYUQMGWGVDK-SNVBAGLBSA-N 456.243 3.550 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc(OC)c1OC 1865692448 MDMZVEYORIKHPP-MRXNPFEDSA-N 473.411 3.530 50 10 JHGE CCCSc1ccccc1C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865852055 OJLVSNJTSGNEPP-AWEZNQCLSA-N 470.620 3.861 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@H](NS(=O)(=O)CCC(CCl)CCl)C2 2106302464 MNAWTPRFUYCXBW-UHOSZYNNSA-N 463.427 3.579 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H](Br)[C@H]1C2 2120661704 WDBATUKIPZSLKU-BKDNQFJXSA-N 474.012 3.758 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)CC[C@@H]1CCl 2152060070 DSLKMBKMWRDAEQ-MRXNPFEDSA-N 453.004 3.512 50 10 JHGE O=C(NCC12CC(CBr)(CO1)C2)c1c(Br)cccc1Br 2159585882 XVBIPAUCXJHMDH-UHFFFAOYSA-N 467.983 3.886 50 10 JHGE CO[C@H](CCBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 2168518150 PTPUJBGAVAPFBX-SECBINFHSA-N 494.043 3.598 50 10 JHGE C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2172463149 IUDDZYIDGCIXQS-ZBFHGGJFSA-N 461.422 3.895 50 10 JHGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)[C@H]1COc2ccccc2O1 2293488673 LHPORFYYXYUEEX-OAQYLSRUSA-N 497.301 3.951 50 10 JHGE COCCCNC(=O)C(C#N)=Cc1c(N2CCC(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 2296731217 FMYJZIZFIYYXOL-UHFFFAOYSA-N 499.615 3.522 50 10 JHGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)NCCc1ccccc1 2296846330 BMCZYJBBDJUOLR-UHFFFAOYSA-N 466.497 3.761 50 10 JHGE Cc1nc(-c2cnccn2)sc1C(=O)NN=Cc1cc(Cl)cc(Br)c1O 2321239041 RYOJAFSOJZZEPX-UHFFFAOYSA-N 452.721 3.794 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)c1ccncc1CBr 2338989192 BYIZIYLVLQAKFZ-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 13978676 FXLCHWNWQLFDRY-RMKNXTFCSA-N 479.389 3.756 50 10 JHGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 14650669 TZXRRAPCAJEJJM-UHFFFAOYSA-N 450.289 3.857 50 10 JHGE O=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 15668347 JDTKDERLIXJKQV-UHFFFAOYSA-N 458.493 3.984 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)oc2ccccc12 21783168 YKCKICPDBDLTAW-UHFFFAOYSA-N 452.470 3.824 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-])c1ccc(F)cc1 40657992 FYXLHUCRIMHSGR-UHFFFAOYSA-N 452.324 3.923 50 10 JHGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(OC)c1 40946572 QAFSJDXDACNUNA-XDHOZWIPSA-N 476.485 3.895 50 10 JHGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OCC 103756901 GOSUCMBZHNDQHU-DPKZSXGYSA-N 494.544 3.781 50 10 JHGE NNC(=O)c1occc1COc1c(Br)cc(Br)cc1Br 110555168 BVJOWQGKLFKDTD-UHFFFAOYSA-N 468.927 3.750 50 10 JHGE COc1cccc2c1OCC[C@H]2NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726273551 FQAJUPAYWSLALC-HXUWFJFHSA-N 465.481 3.881 50 10 JHGE C[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1Cl)c1ccc(N2CCCC2=O)cc1 728950345 LIHVZQYSBDMVFY-LBPRGKRZSA-N 479.762 3.935 50 10 JHGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)s1 1466575436 NPYKYTVPACQHCQ-UHFFFAOYSA-N 454.002 3.751 50 10 JHGE CC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)cc1C 1562506548 DXHGXAKEHKHRFT-RUZDIDTESA-N 456.546 3.977 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)cc1 1670633278 FVZLTAXMNLPQAQ-HNNXBMFYSA-N 455.902 3.657 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc(OC)c1OC 1865693555 WWBONLJLUKMVEW-OAQYLSRUSA-N 450.470 3.623 50 10 JHGE COc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1 1865757288 VWQAWEKOZUREAA-UHFFFAOYSA-N 455.461 3.964 50 10 JHGE COc1ccc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866772183 QWSPXNCTJDQMRR-SFTDATJTSA-N 455.580 3.822 50 10 JHGE CN(C[C@H]1C[C@H]1Br)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1893148262 MIVXKPHCUTZARI-FGTMMUONSA-N 455.393 3.728 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2ccc(Br)cc2Br)[C@H]1Br 1911025756 JFTVTFUKZMYQCK-WDEREUQCSA-N 455.972 3.882 50 10 JHGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@@H]1C[C@@H]1Cl 1991444473 ZRJLSLCFVFCISJ-SZFUDVHCSA-N 491.993 3.799 50 10 JHGE BrC[C@@H]1[C@@H]2C[C@H]2CN1c1ncc(I)cc1Br 1992548138 VBGJHXHHCTZNEV-SKWCMTHISA-N 457.935 3.668 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)C1)c1cc(Br)ccc1I 2020168798 KVUOMKICQTWRFR-OTSSQURYSA-N 472.946 3.957 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@H](CBr)C2(CCCC2)C1 2120026414 OSFWHNFWNQTNFP-VIFPVBQESA-N 455.159 3.775 50 10 JHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2ccc(CCl)cc2)C1 2140595536 MJBPJCVDAYXVCK-OAQYLSRUSA-N 494.057 3.825 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)S(=O)(=O)c1ccc(CBr)cc1 2163052660 GHFPHESLFPKEAO-WMLDXEAASA-N 461.422 3.848 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@H]2CC[C@@H]21 2177709197 FPXRPDSPKHHSBM-IKGGRYGDSA-N 459.406 3.648 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1F)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187747266 GECJFQREZPPBIC-ROUUACIJSA-N 453.377 3.616 50 10 JHGE COc1ccc([C@H](Br)[C@@H]2CCCCS2(=O)=O)cc1I 2269539649 FEDJQECJTWVLBN-STQMWFEESA-N 459.143 3.703 50 10 JHGE Cc1cccc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282692071 RYCNLHKQIOZLBN-UHFFFAOYSA-N 496.504 3.930 50 10 JHGE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1cc(Br)cc(C(=O)NN)c1 2288736763 ANYHXAIEBOWEFP-MLGOLLRUSA-N 458.422 3.931 50 10 JHGE CCN(CC)Cc1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 2325902896 XLAMOELZEDOMKF-QGZVFWFLSA-N 465.623 3.890 50 10 JHGE CCOc1cc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OC 2325903320 YLLHQJWDVFLSHZ-GJZGRUSLSA-N 468.579 3.701 50 10 JHGE COc1ccc2c(c1)c(C=NNC(=O)Cn1cnc3sc(-c4ccccc4)cc3c1=O)cn2C 2325903928 ISSQSHFYJMSMDY-UHFFFAOYSA-N 471.542 3.776 50 10 JHGE COc1cc2nc(C(C#N)=Cc3ccc(OC)c(O)c3Br)nc(O)c2cc1OC 2331039505 JMXRIVICWIQGGJ-UHFFFAOYSA-N 458.268 3.893 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCl)C1CCCCC1 2364192252 ZFXSFPCWCSVQHG-FQEVSTJZSA-N 455.020 3.950 50 10 JHGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)COc1cccc2ccccc12 13978005 PQDUQEFIMCXERW-UHFFFAOYSA-N 463.715 3.861 50 10 JHGE O=C(CCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccccc1-c1ccccc1 13998520 AJVIBDYNVLBHQA-UHFFFAOYSA-N 460.530 3.836 50 10 JHGE O=C(CCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc(-c2ccccc2)cc1 13998755 QXAOWFKSWDAPHS-UHFFFAOYSA-N 460.530 3.836 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1 14034428 FYZLIWKJGKIYIY-UHFFFAOYSA-N 470.595 3.799 50 10 JHGE C/C(=N\NC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1cccs1 58991675 GNBDDTVREBHNBL-CIAFOILYSA-N 479.429 3.896 50 10 JHGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OC)c1 206406030 PYUYIEAXLNWZGO-ZHZULCJRSA-N 480.561 3.955 50 10 JHGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 207085382 RRUHPWGNEQBARW-YVLHZVERSA-N 452.423 3.854 50 10 JHGE CC(=NNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 252625047 QBRBHNIOWGJVFR-UHFFFAOYSA-N 492.863 3.573 50 10 JHGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN=C3CC(=O)CC(C)(C)C3)cc2)cc1 254615842 LYGNZPQZCDHCIZ-UHFFFAOYSA-N 455.580 3.681 50 10 JHGE COc1c(I)cc(CBr)cc1I 307393032 AGRLWMGMROCEMQ-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)CCCc1ccccc1 1084207021 KCQFHHGJCSAVOM-UHFFFAOYSA-N 450.455 3.779 50 10 JHGE O=C(CC(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)NCc1ccccc1 1084573139 AOLIIEHGHWORFG-UHFFFAOYSA-N 478.936 3.514 50 10 JHGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNc2ccccc2Oc2ccccc2)CC1 1311803474 DXBDZULBAMWLEI-UHFFFAOYSA-N 459.550 3.974 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744220 SOULJERHJOVWTH-UHFFFAOYSA-N 482.899 3.926 50 10 JHGE O=C(NC[C@]1(CCl)CCCO1)c1cc(Br)ccc1I 1879607266 DDNBSNVJNRIUFW-CYBMUJFWSA-N 458.521 3.572 50 10 JHGE COC[C@](C)(CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 1926955656 UKNPZVXKHXGCLS-GFCCVEGCSA-N 494.043 3.538 50 10 JHGE [C-]#[N+]Cc1cc(I)cc(I)c1I 1951523789 IHBFXZPYETXUSS-UHFFFAOYSA-N 494.839 3.920 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)c1cc(Br)c(Br)s1 2049914529 RWTGEMSJASIELQ-NSHDSACASA-N 462.001 3.899 50 10 JHGE O=C(Cl)c1c(OC(F)F)ccc(I)c1I 2060169644 PWOLMYVYTCPFPK-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](CNS(=O)(=O)c1ccc(CBr)cc1)C2 2174314817 UMZZHEKCUCTVDH-VYDXJSESSA-N 459.406 3.648 50 10 JHGE O=C(c1cccc(F)c1I)N1CC[C@H](C(F)(F)CBr)C1 2197768764 QGWFYFVOAGCCDX-QMMMGPOBSA-N 462.047 3.923 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H]2CCO[C@]2(CBr)C1 2239897371 XLYJWKHYWTTWIY-YMTOWFKASA-N 467.983 3.838 50 10 JHGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1 2296731187 BUEPLBGROHDBIH-OALUTQOASA-N 487.560 3.561 50 10 JHGE COc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1ccc(OCC(N)=O)c(Br)c1 2297334462 ZWCADGZXOKVBFU-UHFFFAOYSA-N 464.703 3.521 50 10 JHGE Cc1nc(Br)c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)n1C 2300291751 ZQGXPHCLNOSCMY-AWEZNQCLSA-N 459.182 3.543 50 10 JHGE N#CC(=Cc1ccc(OCC(=O)O)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556955 PFZOWAVOXBEIQI-UHFFFAOYSA-N 468.307 3.660 50 10 JHGE CC(C)[C@@H](Br)C(C)(C)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2318055221 UCTOWODEEXHKCL-QGZVFWFLSA-N 473.433 3.570 50 10 JHGE CCCOc1ccccc1C=CC(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 2325890082 DNOSDNGCOQZLIL-UHFFFAOYSA-N 488.569 3.775 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CC[C@@H]1CCl)CC2 2364195477 QLWJKUIMCYKSJZ-QGZVFWFLSA-N 453.004 3.656 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](NC[C@H]2C[C@@H](Br)C2)(C(=O)O)[C@H]1C(F)(F)F 2378836540 YTHOFZFOUMOGII-BUWBCJGYSA-N 459.303 3.535 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1OC 13977329 DICUOUUPNPCBLK-JQIJEIRASA-N 475.570 3.571 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(Br)c1 14007477 GERZWGGYBHXVHU-GFCCVEGCSA-N 455.736 3.659 50 10 JHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14037177 WVUSPBBEXZPQHI-INIZCTEOSA-N 451.548 3.732 50 10 JHGE O=C(COc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1)N/N=C/c1c[nH]c2ccccc12 27825767 JSBWVEJQUDPPAV-KUGLDEIXSA-N 478.512 3.942 50 10 JHGE O=C(/C=C\c1cccc(F)c1)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 33736166 RQBNCCCDZCSQMD-PFONDFGASA-N 486.591 3.784 50 10 JHGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2[N+](=O)[O-])c1 40658304 LSFHCMYZNNDKCE-UHFFFAOYSA-N 456.846 3.715 50 10 JHGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OCC 58891478 LXYFUBGVTKNZLK-ILRHRSLTSA-N 462.930 3.645 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC(=O)O 58891967 CJIVUTQWNCPHRR-HTAGGTJDSA-N 475.339 3.605 50 10 JHGE O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1O)c1cccc(Br)c1 73747837 XPMLLLDOGZMDSZ-FSJBWODESA-N 454.280 3.877 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC(C)(C)CBr)cc1Br 137067548 QCOYXKBQKBYQDA-UHFFFAOYSA-N 464.017 3.972 50 10 JHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])s2)cc1 254854855 PCTVIOXZQFIHOF-GCKOOOLGSA-N 450.476 3.586 50 10 JHGE C[C@@H](Br)C[C@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703966363 FKRYIPKDPQLSSG-HZPDHXFCSA-N 485.444 3.667 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(-c2ccccc2)n1 914465157 CZGUAFJGJBCWTM-HWYOBBEWSA-N 486.601 3.622 50 10 JHGE O=C(CN1CCOCC1)NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12 1084235357 FQNFTOGZXXCONG-UHFFFAOYSA-N 482.378 3.964 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cnn(CC)c1 1084299601 CNKPPOLEPJHLJA-OAHLLOKOSA-N 473.006 3.577 50 10 JHGE O=C(CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc([N+](=O)[O-])ccc1O 1084636509 SAMQJEGASGSHBP-UHFFFAOYSA-N 455.349 3.570 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3cc(F)ccc3C)cc2)cc1 1147127298 UXTCMTPMWVQOFD-UHFFFAOYSA-N 455.511 3.572 50 10 JHGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NS(=O)(=O)c1ccc(CBr)cc1)C2 1260511262 WEKZPMJOSPPATG-MUJYYYPQSA-N 459.406 3.790 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 1614701139 HORFXXKKDCFIHA-ZWNOBZJWSA-N 477.255 3.889 50 10 JHGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3cccc(Cl)c3)c(C)c21 1772749463 NNJKKYBWDKEWFY-UHFFFAOYSA-N 468.897 3.688 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3)c(=O)c2c1-c1ccccc1 1865851912 KGIIJZFRWCMTPS-AWEZNQCLSA-N 496.976 3.702 50 10 JHGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3cccc(F)c3)cc2)n1 1866131269 LXJSVFWWNRCXMG-GZTJUZNOSA-N 451.483 3.579 50 10 JHGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1cc(Br)ccc1Br 1878684943 SUJXBJYVHWIGKI-PRHODGIISA-N 455.972 3.741 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC(F)(CBr)C1 2005094804 KVCBTLRHILNIOL-UHFFFAOYSA-N 476.909 3.613 50 10 JHGE O=S(=O)(NC1(CCBr)CC1)c1cc(Br)ccc1Br 2072520404 CYESFUKBZWTGBQ-UHFFFAOYSA-N 462.001 3.808 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2121590291 CPJWHESKWYGXOY-OOZYFLPDSA-N 474.012 3.755 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2149559992 AXWUZGYFWSBFSG-UHFFFAOYSA-N 459.356 3.723 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2163173780 DZKCWHDFNJYTKA-OAHLLOKOSA-N 461.422 3.895 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@@]21CC[C@@](C)(CI)O1 2249355643 KAYLYFOCNRYBHV-WMRISBIYSA-N 451.345 3.679 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)C(C)(C)NC(=O)OC(C)(C)C 2306147961 AKEFOTCGSDUMLG-HXUWFJFHSA-N 481.681 3.629 50 10 JHGE CC(C)[C@@H](Cl)C(C)(C)CN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2365900526 POUKMJGWNXPKNO-GOSISDBHSA-N 457.036 3.860 50 10 JHGE CC(=O)Nc1ccc(C(=O)NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 12490235 RVJSQZYTZUMFNY-UHFFFAOYSA-N 462.344 3.679 50 10 JHGE Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cc(Br)cc([N+](=O)[O-])c3O)c2)n1 20353016 WCVDFZZTZHHTIK-LSHDLFTRSA-N 472.299 3.688 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCC(=O)OC 101391194 OIUGWCORZCTJBV-ZSOIEALJSA-N 458.854 3.534 50 10 JHGE O=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 254490480 YUOHFFQEBAIPJN-UHFFFAOYSA-N 477.527 3.575 50 10 JHGE CN(C)c1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 254854813 RQNZUOUELTXHRQ-UHFFFAOYSA-N 457.559 3.694 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CCl)oc2Br)C1 323477206 NKPNJYGMBHUDRY-AWEZNQCLSA-N 461.809 3.924 50 10 JHGE CCc1cccc2c1OCC[C@H]2NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 725758349 FYXAHXMBFMXTND-UJWNWPGJSA-N 499.571 3.543 50 10 JHGE CCOc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)cc1 730586718 AZAWIILYIKJYAT-HEFCMCLBSA-N 455.580 3.929 50 10 JHGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCc2ccco2)c1 748268838 QFZYTDWGGIRZJC-UHFFFAOYSA-N 487.965 3.708 50 10 JHGE CCOC(=O)Cc1cnc(OC(F)(F)F)c(I)c1CBr 1848387772 UJBVNXJXCNAVIQ-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCOc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1C 1873793011 ZMVMBAJTFYIMDK-RWPZCVJISA-N 486.528 3.539 50 10 JHGE O=C(c1scc(Br)c1Br)N1CCOC[C@@H](CBr)C1 2036937953 BNHAEDZQVQVIIA-ZETCQYMHSA-N 462.001 3.757 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)[C@H]2COC[C@@H]21 2040609343 YWOYTPABFKGYEI-DTLFHODZSA-N 459.985 3.507 50 10 JHGE CCC(CBr)(CBr)NC(=O)c1nn(C)c(Cl)c1Br 2048145312 AHDYRBJJIOAZPK-UHFFFAOYSA-N 466.399 3.504 50 10 JHGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1cc(Br)c(Br)s1 2072946929 HXLLAIXXYLUKIS-HTRCEHHLSA-N 462.001 3.803 50 10 JHGE O=S(=O)(c1ccc(Br)cc1Cl)N1CCC(I)CC1 2077867288 DKWRKXYDGPHLHL-UHFFFAOYSA-N 464.550 3.691 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1ccc(Br)cc1Br 2083334012 QESBDPQNYDERTA-SPFNVWMYSA-N 458.997 3.938 50 10 JHGE Cc1cc(C(=O)N2CCS[C@@H](CCBr)C2)ccc1I 2142117466 MDBBFJZUHYXCAJ-LBPRGKRZSA-N 454.171 3.942 50 10 JHGE COC[C@](C)(CCl)CNC(=O)c1ccc(Br)cc1I 2142281479 QUGLMLMXZBUQJT-CYBMUJFWSA-N 460.537 3.675 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C2(CC2)C1 2163057995 GYTJSBMHFVVYOC-OAHLLOKOSA-N 459.406 3.792 50 10 JHGE O=S(=O)(c1cc(F)ccc1CBr)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188883695 IEHDZLTXTNNJBB-MJGOQNOKSA-N 453.377 3.616 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@H]1C1CC1 2196364531 ORJXSBRSUZIDPE-DLBZAZTESA-N 459.406 3.648 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N1CC(SC(F)(F)F)C1 2237485968 JLDJVXGOWJSWKJ-UHFFFAOYSA-N 459.103 3.563 50 10 JHGE CCN(C[C@](C)(CI)OCCOC(F)(F)F)C(=O)OC(C)(C)C 2242767348 HNLAHARQGJYSPK-ZDUSSCGKSA-N 455.255 3.990 50 10 JHGE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NNC(=O)c1cc(OC)c(OC)c(OC)c1 2313681662 KJNPXTZRUNALNQ-UHFFFAOYSA-N 470.501 3.563 50 10 JHGE COc1ccc2c(c1)c(C=NNC(=O)[C@@H](C)n1cnc3sc4c(c3c1=O)CCCC4)cn2C 2325902951 JLYTWONUNLRFHA-CQSZACIVSA-N 463.563 3.548 50 10 JHGE C[C@H]1C[C@H](C(F)(F)F)N(CCOCCI)CCN1C(=O)OC(C)(C)C 2326642820 ULZIIAMALMKPOY-QWHCGFSZSA-N 480.309 3.700 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1ccc(Cl)cc1I 2340053521 BMBFLFICVGDKBK-SCZZXKLOSA-N 458.521 3.569 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccc(CBr)c(F)c1 2341923770 PEBYPOMCDZHPOJ-UHFFFAOYSA-N 483.359 3.929 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Cl)C2 2364201616 ITHOPWWEXFYTMF-MVJPYGJCSA-N 453.004 3.558 50 10 JHGE CC1(C)CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCl 2364214601 OELATCATLGUIGV-LJQANCHMSA-N 455.020 3.902 50 10 JHGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 10283762 QIPXFQQMJALPQG-UHFFFAOYSA-N 490.585 3.923 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12570089 RQHURRMGOGWLEW-LLVKDONJSA-N 490.796 3.823 50 10 JHGE O=C(COc1ccc2ccccc2c1)NNC(=O)COc1ccc(Cl)cc1Br 13979589 OOKQILFOLFUXRZ-UHFFFAOYSA-N 463.715 3.861 50 10 JHGE O=C(COc1ccc(Br)cc1Cl)N/N=C1/C(=O)Nc2ccc(Br)cc21 13980282 BIHIKIWUGDRMMJ-UHFFFAOYSA-N 487.535 3.716 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)c(C)c1 14041859 XELOBAMNWGHAPI-UHFFFAOYSA-N 477.586 3.639 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1Br 14770339 RAHKHIRFQJCSFA-UHFFFAOYSA-N 462.344 3.645 50 10 JHGE CCc1cc2c(=O)n(CC(=O)N/N=C\c3ccc(OCc4ccccc4)c(OC)c3)cnc2s1 33343564 ATNSEAWFMOKABW-WKIKZPBSSA-N 476.558 3.758 50 10 JHGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1ccccc1 40657398 JPKCLAXHSZTEPG-UHFFFAOYSA-N 453.768 3.953 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-] 40658513 YGKWNIURMJVFMS-UHFFFAOYSA-N 459.260 3.656 50 10 JHGE COc1ccc(/C=C\C(O)=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1OC 105891299 FVVJWYSZZNNKCQ-YTZFLCPJSA-N 459.506 3.627 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 168205417 COWLYTCIGXVAED-VXNVDRBHSA-N 482.021 3.929 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2)cc(I)c1OC 252620307 MBNULUNLEQHEMH-UHFFFAOYSA-N 488.709 3.881 50 10 JHGE CC(=NNC(=O)CC1(O)CCCCC1)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 252623925 PCJFOPVQLAKMIL-UHFFFAOYSA-N 483.481 3.681 50 10 JHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3F)S(C)(=O)=O)c2C)cc1C 252626883 RHOKNQSZFJRJPD-UHFFFAOYSA-N 470.570 3.766 50 10 JHGE O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1)NNC(=O)C(F)(F)F 253568610 LKVCRLONPKSPGX-UHFFFAOYSA-N 479.528 3.537 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccccc2OC)ccc1OC(=O)c1ccc(OC)cc1 254304713 NXURXFLWBDJTPE-UHFFFAOYSA-N 478.501 3.851 50 10 JHGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc4ccccc4c3)nnn2-c2nonc2N)cc1 254706505 XXHZWQVBDLNMGK-UHFFFAOYSA-N 496.531 3.996 50 10 JHGE C[C@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@@H]1CCBr 707411537 ZUATYVJFQPPDNE-MAUKXSAKSA-N 485.444 3.524 50 10 JHGE O=C(c1cccc(F)c1I)N1CCSC[C@@H]1CCBr 721704316 JVAHLMCKYKUPQL-VIFPVBQESA-N 458.134 3.773 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c(C)n1C[C@H]1CCCO1 731338258 SGYRDXYQQNKRKK-VCOLLSTESA-N 497.617 3.782 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2C(=O)OC)c1C 790067586 DVHKEDIKFCDQQM-YBEGLDIGSA-N 460.328 3.846 50 10 JHGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1)c1ccccc1 1084047101 GSWKOEDDLFOGSM-KRWDZBQOSA-N 478.936 3.685 50 10 JHGE CC(C)c1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)cc1 1084512643 MWHBTYCXOFHDSR-UHFFFAOYSA-N 493.585 3.927 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c(C)n2)cc1OC 1865759397 YKKIYTBQPWMBOF-OAHLLOKOSA-N 469.925 3.956 50 10 JHGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(I)sn1 1909914413 HEUPHIPYUZXWKR-LBPRGKRZSA-N 495.180 3.800 50 10 JHGE CN(C1(CBr)CC1)S(=O)(=O)c1cc(Br)ccc1Br 2064890076 OJSKXAHATFBQTA-UHFFFAOYSA-N 462.001 3.760 50 10 JHGE Cc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)c(O)n1 2078931784 YGOINMGTJDMEHB-UHFFFAOYSA-N 462.007 3.800 50 10 JHGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC[C@H](CBr)c2ccccc2)CC1 2163059040 PZCAQQSNXPWCMJ-SOKVYYICSA-N 460.438 3.731 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2179793801 YYVWVGHCCPUDLU-HDICACEKSA-N 453.402 3.544 50 10 JHGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)N2CCC[C@@H](CCBr)C2)CO1 2179954610 PONRVFLPTQXJOP-RBUKOAKNSA-N 459.450 3.798 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](OCCCBr)C1 2207049183 NQPURLTUEDWRIN-LLVKDONJSA-N 472.548 3.961 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239905710 ZKTPSYVZMQAHPO-XPTSAGLGSA-N 467.983 3.838 50 10 JHGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 2324714203 BKRUENBIJCVMEB-UHFFFAOYSA-N 451.523 3.839 50 10 JHGE Cc1csc2nc(Cl)c(C=NNC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)n12 2325903194 DYUJKCHQHRBEPL-CMPLNLGQSA-N 489.026 3.965 50 10 JHGE NNC(=O)[C@@H]1C[C@@H]1CCCSc1cc(I)ccc1Br 2338341474 MOLFDFBLEXVKOJ-WCBMZHEXSA-N 455.159 3.552 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](C1)N(S(=O)(=O)c1ccc(CBr)cc1)C2 2357170135 MXHZTJONWMXJSJ-OWCLPIDISA-N 459.406 3.648 50 10 JHGE C[C@H](Br)C12CCC(CC1)N2S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364216500 ONPLZBUNQBFFJB-YPHUNTSASA-N 497.455 3.953 50 10 JHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c(OC)c1 8427140 IIEGYCHPOOWHHF-GZAXAYBHSA-N 488.500 3.923 50 10 JHGE COc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(C(=O)O)c1OC 13543987 AIZWDKPECDMNDR-LGJNPRDNSA-N 465.437 3.557 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 13619657 UAXJOZLVPKJPTJ-CXAGYDPISA-N 453.322 3.780 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38653646 VBWFOGKNWMFLJF-OAQYLSRUSA-N 458.386 3.940 50 10 JHGE COc1ccc(Oc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40657934 ISZUPXFVJYPZAC-UHFFFAOYSA-N 460.244 3.705 50 10 JHGE Nc1c(NNC(=O)c2ccccc2F)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 40729930 UEGKTNPOEHYWPF-UHFFFAOYSA-N 497.578 3.866 50 10 JHGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=Cc1ccccc1O 254630861 NFHBGDJXAZAPPW-UHFFFAOYSA-N 474.502 3.791 50 10 JHGE NNC(=O)c1csc(COc2c(Br)cc(Br)cc2Br)n1 394481799 LPHPASOPWZUEHT-UHFFFAOYSA-N 485.983 3.613 50 10 JHGE CC(=O)OCC(=O)[C@]1(OO)[C@H](C)C[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@]21C 504213881 VZKVPNVMKJHQHX-NISOUBOASA-N 488.577 3.689 50 10 JHGE COc1ccc(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OC 725421754 NWQQSLJOLBJKKL-UHFFFAOYSA-N 461.518 3.723 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(C)n1-c1cccc(Cl)c1 729362521 CMEIYYMYOSZZBI-INJUALFYSA-N 482.028 3.713 50 10 JHGE CC(=O)c1ccc(-c2ccc(C(=O)NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)cc1 1140534145 OHFRZTYDGPEFHT-GOSISDBHSA-N 455.511 3.557 50 10 JHGE C#CC[C@]1(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C 1638117282 QIHYXXKQCWRHFF-LJQANCHMSA-N 456.421 3.850 50 10 JHGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NCc4ccc5c(c4)OCO5)c(C)c32)c1 1772749971 TUHWFYNRNZJCEI-UHFFFAOYSA-N 475.501 3.726 50 10 JHGE COc1ccc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc1[N+](=O)[O-] 1772755534 LJKGUIREYGMUDH-UHFFFAOYSA-N 450.289 3.984 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(C(F)(F)F)cc4)c(=O)c23)cc1 1860770334 DKSCKCAOYAUIQD-UHFFFAOYSA-N 486.475 3.913 50 10 JHGE COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1OC 1865757252 UJEKBFIHQSJRKT-UHFFFAOYSA-N 455.461 3.746 50 10 JHGE COc1cc(I)c(Cl)cc1C(=O)NCC1CC(Br)C1 1887783244 BNNRLWHPAPNBLG-UHFFFAOYSA-N 458.521 3.857 50 10 JHGE O=C(c1sccc1I)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924243381 WJFVCJLYXUHYKU-NOZJJQNGSA-N 456.143 3.511 50 10 JHGE CC(C)(C)OC(=O)N1CCN(C(=O)CCCCBr)CCN1C(=O)OC(C)(C)C 1955898757 CEHAFXYOUFJPRP-UHFFFAOYSA-N 464.401 3.783 50 10 JHGE CCOc1c(I)cc(I)cc1C(=O)CBr 2060133855 LQAJRICFBBXDOP-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE CCN(C[C@@](C)(CI)OCCC(COC)COC)C(=O)OC(C)(C)C 2067240984 NXMBQQNLZXQEHY-GOSISDBHSA-N 473.392 3.753 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1cc(C)c(Br)s1 2081254486 ZMQWVSZCUBYFEM-IONNQARKSA-N 466.204 3.947 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCOC[C@@H]1CCBr 2092335125 YYPBSPFSZLRTHT-VIFPVBQESA-N 455.972 3.838 50 10 JHGE Cc1[nH]nc(S(=O)(=O)N(C)[C@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c1CBr 2179808483 IPDPXFAMVKQSQZ-DLBZAZTESA-N 456.406 3.617 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179825942 NBYIDJPCSBGPFT-HBMCJLEFSA-N 455.462 3.868 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)[C@H]1CC[C@H](CBr)C1)C2 2179830915 QHBZAUXPVOEVQR-UWHLTILDSA-N 455.462 3.724 50 10 JHGE O=C(c1ccc(Br)cc1I)N1[C@H](CCl)C[C@@H]2OCC[C@H]21 2207260286 FVPQKDKTSAWOTM-BIMULSAOSA-N 470.532 3.665 50 10 JHGE Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](CCBr)C2)cc1I 2232837431 STPDOGLUZCZMES-DGCLKSJQSA-N 452.130 3.614 50 10 JHGE O=C(NC[C@H]1CC[C@H](CCl)CO1)c1cc(I)ccc1Br 2279407094 KNIDFMJFSBDRCM-MWLCHTKSSA-N 472.548 3.818 50 10 JHGE Cc1ccc(I)c(C(=O)NC[C@@H]2CC[C@H](CBr)CO2)c1 2279407157 IHZLHLGETYWXPQ-NEPJUHHUSA-N 452.130 3.520 50 10 JHGE COCCN(C[C@@H](C)Br)c1ncc(C(F)(F)F)cc1I 2287959572 XIMMFYAVSIMXFL-MRVPVSSYSA-N 467.067 3.941 50 10 JHGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)c1 2296720245 DNAFWUGUGKNYJF-UHFFFAOYSA-N 460.534 3.942 50 10 JHGE Cl[C@H]1C[C@H]2CN(Cc3ccc(I)c(Br)c3)CCN2C1 2349829149 NCMQWEBTDDVDGP-RYUDHWBXSA-N 455.565 3.551 50 10 JHGE CC(C)(C)OC(=O)N[C@]1(C)CN(S(=O)(=O)c2ccc(CBr)cc2)CC1(F)F 2361989420 RPARYMBGXKHOMF-MRXNPFEDSA-N 469.348 3.505 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCl)C1CCCCC1 2364203007 ZFXSFPCWCSVQHG-HXUWFJFHSA-N 455.020 3.950 50 10 JHGE O=C(Cc1cc(Cl)c2c(c1)OCCO2)NNC(=O)c1ccccc1OCc1ccc(F)cc1 10708515 RBXCWEPIGWXZNB-UHFFFAOYSA-N 470.884 3.833 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2)c(Br)c1 12403534 NMQFKRSYWRRLTM-FMIVXFBMSA-N 490.423 3.861 50 10 JHGE Cc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2)cc1I 13981061 IPIUCYPCFJNUPM-UHFFFAOYSA-N 452.292 3.563 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1 13983613 RMTQHLZAOWHVFM-CYBMUJFWSA-N 478.412 3.986 50 10 JHGE COc1ccc(CC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642153 AQTOXKJYMPKTDU-UHFFFAOYSA-N 469.335 3.894 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-])c1ccccc1F 40658230 OLWGYIMGJOBYPN-UHFFFAOYSA-N 452.324 3.923 50 10 JHGE N#C/C(C(=O)NC1CCCCC1)=C1\N=C(NC(=O)c2ccc(Br)o2)c2ccccc21 102569690 SEHUDUHNLHNXDU-KNTRCKAVSA-N 467.323 3.916 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1OC 137204882 BOVVYXNTPLWFPX-RVDMUPIBSA-N 470.532 3.507 50 10 JHGE Cc1cccc(OCC(=O)N[C@H](C)C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1 252599250 DHKFLACBAOPGMB-QGZVFWFLSA-N 464.478 3.505 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3cccc(Cl)c3Cl)CC2)cc1 254378433 FOIKVGCMSXRDBA-UHFFFAOYSA-N 454.379 3.853 50 10 JHGE C[C@H](NC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 761414042 CPYDHIYYHDERSL-NVKIXBQCSA-N 471.561 3.855 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)O[C@H](C(N)=O)c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1 821892379 DGOHCWHLPCYLGC-SJAXDAAESA-N 477.883 3.933 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1083996517 HPWXKANHOFRHGV-UHFFFAOYSA-N 475.376 3.725 50 10 JHGE COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1083996567 FADLSNXAIOPHLC-UHFFFAOYSA-N 469.339 3.954 50 10 JHGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1O 1084034334 LGJHHBKFJWOADU-UHFFFAOYSA-N 461.099 3.559 50 10 JHGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084296180 WFBGDNWNDMMROY-UHFFFAOYSA-N 450.249 3.608 50 10 JHGE Cc1cc(C(=O)NC2CCN(C(=O)/C(C#N)=C\c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)no1 1318052459 BDFPHQMKXIPGSW-ZHZULCJRSA-N 475.524 3.858 50 10 JHGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1 1464538813 DAJZYVMZIHYPQU-MRXNPFEDSA-N 458.481 3.785 50 10 JHGE Cc1c(C(=O)NNC(C)(C)C)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749099 JSBUMYLLIFSJIK-UHFFFAOYSA-N 474.377 3.610 50 10 JHGE CC(C)(C)OC(=O)N1CC(N(CCOCCI)Cc2ccccc2)C1 1893370435 RVSLGYPBHADYQC-UHFFFAOYSA-N 460.356 3.560 50 10 JHGE O=C(NC[C@H]1C[C@H]1CBr)c1ccc(I)c(Br)c1 1907261625 FXQYPJVKTOWXSI-DTWKUNHWSA-N 472.946 3.815 50 10 JHGE CN([C@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 2044694778 YBMDXOOXVBYBOQ-OALUTQOASA-N 467.385 3.659 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H]1CCCBr 2141710531 XUDLNJDNPZWKKA-MRXNPFEDSA-N 485.444 3.668 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(Br)cc1C 2141756677 WFLBQNFHPYKUMK-JOYOIKCWSA-N 460.175 3.886 50 10 JHGE O=S(=O)(N[C@H](CBr)c1cscn1)c1ccc(Br)cc1Cl 2175671846 ZFACARWYKNMSNC-SECBINFHSA-N 460.600 3.974 50 10 JHGE O=C(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1ccccc1I 2192579083 JDKPBLAGJTVMPK-ZYHUDNBSSA-N 462.047 3.985 50 10 JHGE O=C(OCc1ccccc1)N1CC2(CC=CCN2S(=O)(=O)c2ccc(CBr)cc2)C1 2207821531 NWFAWXHWXZPCJF-UHFFFAOYSA-N 491.407 3.923 50 10 JHGE CO[C@]1(CBr)CCCN(C(=O)c2ccc(C)c(I)c2)C1 2232830393 LSRLFYQAGARKRG-HNNXBMFYSA-N 452.130 3.616 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1C 2268645121 OCTKSZLAFTXGLZ-QLXKLKPCSA-N 486.377 3.567 50 10 JHGE COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1 2297380761 CWNOTWHRGODWRZ-UHFFFAOYSA-N 485.949 3.836 50 10 JHGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 2313566870 CDZJKDFAQDMWGO-UHFFFAOYSA-N 476.270 3.594 50 10 JHGE COCCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(OC)c2)C(C)=C(C#N)C1=O 2314617899 CTLLLTBAZQWZNM-UHFFFAOYSA-N 450.466 3.652 50 10 JHGE Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)cc1F 10736997 MPSCZJBPQNWYDR-UHFFFAOYSA-N 480.521 3.501 50 10 JHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 13978670 SWCAXEIBZNRIQY-LFIBNONCSA-N 472.570 3.905 50 10 JHGE O=C(CCC1CCCCC1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14029328 FUTPSUOJLPEBMG-UHFFFAOYSA-N 452.580 3.935 50 10 JHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 14641576 YGHCMNWYLHAAFK-UHFFFAOYSA-N 490.585 3.985 50 10 JHGE C=CCc1cccc(/C=N/NC(=O)[C@@H](C)Nc2ccc(I)c(C)c2)c1O 20352483 GQBFZWXIOPFPSH-LVCXCXRVSA-N 463.319 3.984 50 10 JHGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O 33716833 QCSJONGYGNHKGC-HKWRFOASSA-N 460.534 3.862 50 10 JHGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 40880454 KNGUGOHDWTTXOV-CPNJWEJPSA-N 476.485 3.895 50 10 JHGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237106 GSVBRYZNPUVBKS-HNENSFHCSA-N 450.514 3.951 50 10 JHGE C[C@H](CBr)[C@@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703964632 KRMWGRCICJCSIH-QAPCUYQASA-N 485.444 3.524 50 10 JHGE C[C@@H](Oc1ccc(C=NNC(=O)c2cc(Br)c(O)c(Br)c2)cc1)C(=O)O 1082937244 CMKDQIGPDDCUNF-SECBINFHSA-N 486.116 3.533 50 10 JHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(Cl)cc2)cc1 1084015477 RQQYAIWCHSWMAM-UHFFFAOYSA-N 485.993 3.732 50 10 JHGE CC(=O)[C@H]1CC(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)=NN1c1ccccc1 1540376786 VNGLFSJXXOSOKX-LJQANCHMSA-N 450.495 3.539 50 10 JHGE CCn1nnc(COc2c(Br)cc(Br)cc2CBr)n1 1892846087 FSLHBHSXIWMVMR-UHFFFAOYSA-N 454.948 3.692 50 10 JHGE O=C(N[C@@H]1C[C@H]1CBr)c1cc(Br)ccc1I 1894167828 BMMCLPNOFSISTL-QUBYGPBYSA-N 458.919 3.567 50 10 JHGE BrC[C@H]1CSCCN1c1ncc(I)cc1Br 1988532906 NGKFRMFNJJCQOV-QMMMGPOBSA-N 477.991 3.765 50 10 JHGE C[C@@H]([C@H](Cl)c1ccc(I)c(Br)c1)S(=O)(=O)N(C)C 2029078229 MTKLTLMLRGMKPM-CPCISQLKSA-N 466.566 3.614 50 10 JHGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])c2)cc1 2053497791 DKOVFUHHGCCSJM-UHFFFAOYSA-N 480.502 3.833 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(c2ncc(C(F)(F)F)cc2I)C1 2165322049 IHMWVDBOOCMCFR-RKDXNWHRSA-N 465.051 3.694 50 10 JHGE CC[C@@]1(CCl)COCCN1C(=O)c1ccc(I)c(Br)c1 2169026187 FNGHACKWEMGZPP-CQSZACIVSA-N 472.548 3.914 50 10 JHGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CBr)n(C)c1 2179808379 HQUYMMSAJBQYEP-ZACQAIPSSA-N 454.434 3.592 50 10 JHGE CCOC(=O)[C@@H](Br)Cc1ccc(Br)cc1I 2212574839 RJDXRFJAIZEZFZ-VIFPVBQESA-N 461.919 3.923 50 10 JHGE Cc1ccc(I)c(C(=O)NC[C@H](CBr)C(F)(F)F)c1 2232157036 CKTIQHIQPLDWIY-QMMMGPOBSA-N 450.036 3.903 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](O[C@@H]2CCN(Cc3ccccc3)C2)[C@H](I)C1 2242049437 KWBQMJBJVRYWEZ-KURKYZTESA-N 472.367 3.700 50 10 JHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1B(O)O 2268642909 HGAIDMSOZNOLDV-DWXRJYCRSA-N 486.377 3.567 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@]1(C)CCCN1C)C(=O)OC(C)(C)C 2300065912 NONPYGLASNMCHA-ZWKOTPCHSA-N 454.393 3.938 50 10 JHGE O=S(=O)(Cc1ncsc1Br)N[C@H](CCCl)COCc1ccccc1 2303768225 DZUIZRSBPYRHBC-CYBMUJFWSA-N 453.811 3.539 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC 2313617081 BWFQBFMYKWPCPJ-GFCCVEGCSA-N 498.388 3.513 50 10 JHGE C[C@H]1CC[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1C(=O)OC(C)(C)C 2322964489 BBHKLDUQLSSOQF-YCRPNKLZSA-N 493.692 3.725 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)C[C@@H]1C(F)(F)F 2377563297 PMVHAOUEBHNBEA-DSZLRUIBSA-N 459.303 3.535 50 10 JHGE Cc1c(-c2ccccc2)oc2c(C(=O)NNC(=O)c3cc(Br)cn3C)cccc2c1=O 12393335 OMKAZUVCCRQQQZ-UHFFFAOYSA-N 480.318 3.944 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1I 12488161 RRCCJAPLGHUFIV-UHFFFAOYSA-N 452.292 3.672 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502718 MXBYTCFMERUMOL-UHFFFAOYSA-N 467.978 3.881 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br 14025067 LWXHOXZYUJCOMZ-UHFFFAOYSA-N 464.385 3.742 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 14649804 GSPCAHMFBRXYCW-UHFFFAOYSA-N 481.343 3.729 50 10 JHGE O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccc(-c2cccc(Br)c2)o1 36497167 XOBHFJZUDLGKJV-CQGJFATGSA-N 452.308 3.689 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611515 HSVNWOAOTIWEBW-ZXVVBBHZSA-N 494.935 3.552 50 10 JHGE CCn1nc(C(=O)NNC(=O)/C=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c2ccccc2c1=O 209560480 IOQVFHQEFRYBLM-QINSGFPZSA-N 469.545 3.607 50 10 JHGE COc1cc(Br)c(Br)c(C=NNC(=O)CNc2cccc(C)c2)c1O 254442474 ZRZBWBNNTKEIET-UHFFFAOYSA-N 471.149 3.796 50 10 JHGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)COc3ccc(C)cc3[N+](=O)[O-])o2)cc1 254500225 SWGWMIVVLVNURM-UHFFFAOYSA-N 451.435 3.869 50 10 JHGE CSSCCNC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757375553 BSNWODRWONNBOX-FQEVSTJZSA-N 474.604 3.886 50 10 JHGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 915907120 AJHFECOITBRJIU-UHFFFAOYSA-N 482.935 3.997 50 10 JHGE O=C(NNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1ccc(Br)cc1 1318586875 YNQIWHLKRVLZJC-UHFFFAOYSA-N 488.651 3.777 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)cc1 1476142668 BMFJYVMRNPTCIM-INIZCTEOSA-N 454.527 3.802 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1860771573 ANHHTYSGKGVPQB-QWRGUYRKSA-N 479.389 3.912 50 10 JHGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712322 VPHYSPQEWHPOKE-JOCHJYFZSA-N 491.479 3.921 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915153536 RGROSXHIJGGTSK-OAQYLSRUSA-N 460.983 3.522 50 10 JHGE CC1(C)CC[C@H](Br)[C@H](CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1927037684 CMZUURSAGGUJTG-LPHOPBHVSA-N 499.471 3.962 50 10 JHGE CCOc1cc(I)c(C(=O)CCl)cc1I 2060132732 KWOFNYKOQCCMMM-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE COCCN1C[C@@H](Br)[C@H](Cc2cc(Cl)ccc2I)C1 2100738515 QCGZGINJHPCRQY-DGCLKSJQSA-N 458.565 3.829 50 10 JHGE CC(C)(C)[C@H]1C[C@H](CBr)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2165002733 SLPHGIOAJWOGJD-SJORKVTESA-N 499.471 3.772 50 10 JHGE O=S(=O)(c1occc1CBr)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186714243 FBMJZJOMBUHBEK-OAHLLOKOSA-N 467.307 3.612 50 10 JHGE CC(C)(C)OC(=O)N1CCN(CCCCCI)C2(CCOCC2)C1 2214712284 WKKFEZDFGQRUJX-UHFFFAOYSA-N 452.377 3.694 50 10 JHGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2256599151 COSMVNSYZZUNDZ-DEOSSOPVSA-N 492.768 3.522 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1 2313616908 SNEYFGHLESFQJN-UHFFFAOYSA-N 490.585 3.693 50 10 JHGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4cccc([N+](=O)[O-])c4)cc3[nH]2)cc1OC 2323720649 SQNYDWCXMOBUDR-UHFFFAOYSA-N 459.462 3.843 50 10 JHGE COc1ccc2[nH]cc(C=NNC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)c2c1 2325903369 GNPMLCDERHJCAZ-UONOGXRCSA-N 463.563 3.784 50 10 JHGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(F)cc2)cs1 2331344302 DOXXLUYDBDKUSS-UHFFFAOYSA-N 450.407 3.946 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@@H](CBr)CCC1(C)C 2338669476 FDHOCGIRTQMHJA-SSDOTTSWSA-N 457.992 3.723 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC[C@H]2C[C@@H](Br)C2)C[C@@H](P(C)(C)=O)C1 2344197156 NGGZCVWYYNFDJQ-BYNSBNAKSA-N 451.342 3.524 50 10 JHGE O=C(CCC(=O)N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12 12575018 CIBMFVMBWAFGLO-DPCVLPDWSA-N 454.486 3.785 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)c1 14040901 YUESPSCLWSXRLH-UHFFFAOYSA-N 475.545 3.941 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14655032 DHWHUEAYVYMLOS-UHFFFAOYSA-N 462.344 3.907 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 38658380 JHSFWBSBTSOKMT-VWLOTQADSA-N 458.470 3.906 50 10 JHGE COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 40865304 AGNJPHSFEYDKDG-SFQUDFHCSA-N 452.492 3.647 50 10 JHGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc([N+](=O)[O-])c1O 40950918 UCSMVKPFDQZKPX-ZVBGSRNCSA-N 466.288 3.724 50 10 JHGE O=S(=O)(NCC1(CBr)CC1)c1cc(Br)ccc1Br 122703650 CGPVBJMHHKDOLY-UHFFFAOYSA-N 462.001 3.665 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)c1ccc(Br)cc1F 232874383 ZIQPCBMFQPQAQE-UHFFFAOYSA-N 482.007 3.805 50 10 JHGE CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)NN=Cc1cc(Br)c(Br)o1 252612248 IQUBPWSWYDWIQQ-AWEZNQCLSA-N 491.205 3.700 50 10 JHGE CC[C@H](C)c1ccc(NC(=O)CC(C)=NNC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1 254514413 NBFWNNNXXLXAQN-HNNXBMFYSA-N 454.527 3.677 50 10 JHGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 254593229 MOKMKZKSNFORJF-UHFFFAOYSA-N 463.446 3.742 50 10 JHGE Cc1cc(C=NNC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1ccccc1C(F)(F)F 725410023 ACTGDFZNPIVYBA-UHFFFAOYSA-N 457.456 3.665 50 10 JHGE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(Cl)Cl 757303800 CDPHGQZUZYGBMS-GOSISDBHSA-N 465.333 3.678 50 10 JHGE O=C(O)c1ccc(COc2ccc(C=NNC(=O)c3ccncc3)cc2Br)cc1 1084392776 XVIRHCCKKPQFHW-UHFFFAOYSA-N 454.280 3.885 50 10 JHGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 1084622454 CUELEELNAQAYET-UHFFFAOYSA-N 481.574 3.830 50 10 JHGE O=C(NNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(Br)cc1 1116005283 VQDGXIHLXQBSDO-UHFFFAOYSA-N 455.190 3.593 50 10 JHGE CC(=O)N1C[C@@H](C(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)Oc2ccccc21 1155427214 HPZRQSSTOPJDHB-HNNXBMFYSA-N 457.701 3.614 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2Cc3c(C)cccc3N2C(=O)OC(C)(C)C)c1 1176937485 NQCKRWCULFFOLA-HXUWFJFHSA-N 450.564 3.660 50 10 JHGE Cc1ccc(SCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851450 BXVAPGKKIQTKOB-MRXNPFEDSA-N 484.647 3.926 50 10 JHGE O=C(NC[C@@]1(CCl)CCCO1)c1cc(I)ccc1Br 1879607217 CSAWCYFIFYWDFF-ZDUSSCGKSA-N 458.521 3.572 50 10 JHGE O=C(NCC1CC(Br)C1)c1ccc(Br)cc1I 2026221950 RPGZAHQFHUTPNU-UHFFFAOYSA-N 472.946 3.957 50 10 JHGE CCOc1cc(I)cc(C(=O)CCl)c1I 2060132498 FNHSQDGOHZZXFP-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE C[C@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCBr 2089708433 ZMUNQXLSJBZBNK-QFBILLFUSA-N 485.444 3.668 50 10 JHGE CC(C)(C)OC(=O)NCc1csc(NS(=O)(=O)c2ccc(CBr)cc2)n1 2137267277 ZSOCFYLJYODIQI-UHFFFAOYSA-N 462.391 3.864 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@]2(C[C@H](Br)CO2)C1 2201761703 BAQYMCZRKQCKOG-JSGCOSHPSA-N 467.983 3.980 50 10 JHGE Cc1cc(C(=O)N(CCOCCBr)C(C)C)ccc1I 2207106815 NQIMTXWMBOPQIC-UHFFFAOYSA-N 454.146 3.862 50 10 JHGE CCCN1CC[C@H]([C@@H](Br)c2cc(C)ccc2I)S1(=O)=O 2240992236 VXYWRABQXPTKMA-KGLIPLIRSA-N 472.186 3.850 50 10 JHGE O=C(N[C@H]1C[C@H](Br)C1)c1cc(Br)ccc1I 2245948778 KNFOWXHVUPPWBC-ZKCHVHJHSA-N 458.919 3.709 50 10 JHGE COC[C@@](C)(CBr)CNC(=O)c1ccc(Cl)c(I)c1 2268342949 HVWVXDOXLIVIKQ-ZDUSSCGKSA-N 460.537 3.722 50 10 JHGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)Nc3c(C)cc(C)cc32)c1 2297325709 UNSCDNGYXJSCMH-UHFFFAOYSA-N 498.539 3.564 50 10 JHGE COc1c(Br)cc(C=NNC(=O)c2ccccc2O)c(OC)c1Br 2323097690 MOKMFPYUQVZQHP-UHFFFAOYSA-N 458.106 3.698 50 10 JHGE C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1I 6087979 QWTQMUWZYZUZGC-RGVLZGJSSA-N 483.103 3.830 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)OCCCc1ccccc1 13998659 NPZKQXKKCWZYLN-OAHLLOKOSA-N 467.349 3.864 50 10 JHGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1I 14031598 MEJGSKZSERSDCF-ZDUSSCGKSA-N 490.297 3.682 50 10 JHGE COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC 18200245 PESKOJIQMWFPLC-OWJWWREXSA-N 492.528 3.938 50 10 JHGE O=C(NNC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(S)nc2c1)c1ccc(Cl)cc1 27638415 CVTPTJWEJCJAMR-UHFFFAOYSA-N 468.897 3.542 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 33570919 NIKLRKPMVBAVBB-PBEQFFAXSA-N 487.335 3.530 50 10 JHGE Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40826125 PIFCVUHWTABLRC-XIEYBQDHSA-N 456.499 3.503 50 10 JHGE Cc1cc(OCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c(Br)c(C)c1Cl 40950700 KFMARUPFPOSUFC-IFRROFPPSA-N 456.680 3.862 50 10 JHGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1cccnc1 58991761 YMCCEQXSICUOLN-UVHMKAGCSA-N 493.980 3.529 50 10 JHGE CC(CBr)(CBr)NC(=O)c1ccc(I)cc1 129498441 XOQNHYBVLKCDFB-UHFFFAOYSA-N 460.935 3.570 50 10 JHGE O=C(Nc1nc(CCl)cs1)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 170535173 RYJPPXWXJMNHFZ-UHFFFAOYSA-N 455.879 3.659 50 10 JHGE C[C@@H]1CO[C@@H](CCl)CN1C(=O)c1cc(Br)ccc1I 235265489 MMERLGFNAIROTK-SCZZXKLOSA-N 458.521 3.522 50 10 JHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)c2ccccc2)cc1 254303112 QIZXWJRVUWCQPE-UHFFFAOYSA-N 495.626 3.835 50 10 JHGE COc1ccc(CN2C(=O)O[C@@H]3[C@@H]4OC5(CCCCC5)O[C@@H]4[C@H](I)[C@@H]32)cc1 504573853 ROIALEPFWLNUHX-MDMSPXHWSA-N 485.318 3.646 50 10 JHGE in-vitro Cc1c(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)nnn1-c1ccc2ncccc2c1 731327452 XEYVNBRYLZZDGD-UHFFFAOYSA-N 496.502 3.917 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)n1 761410151 KYLBVNUEAWPZBD-FMCGGJTJSA-N 483.572 3.999 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(CN3CCOC3=O)c2)c(-c2ccccc2)n1 918587433 DBQADXCBAMMZAF-QNGOZBTKSA-N 466.501 3.962 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cnn(CC)c1 1083887545 GNDNSOGBNMDAMV-UHFFFAOYSA-N 474.594 3.688 50 10 JHGE CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)NN=Cc2cccc(Br)c2)cc1 1084285936 ADMVTZTYJDUYOI-IBGZPJMESA-N 473.396 3.791 50 10 JHGE C=CCC[C@H](NC(=O)NNC(=O)CNC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 1680856188 XBKGVPXVHCEEGO-HNNXBMFYSA-N 454.474 3.535 50 10 JHGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4Cl)c(C)c32)c1 1772747293 MSFUFTIKYQSVCC-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc21 1858694719 KSQLGCJXOHZDPS-UHFFFAOYSA-N 492.444 3.608 50 10 JHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)C(c4ccccc4)c4ccccc4)c(=O)c23)C1 1860769654 BYNQRIRTEPDSAC-KRWDZBQOSA-N 486.597 3.562 50 10 JHGE COc1ccc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1Br 1873795099 RIXQKSIPAGONPP-HXJASHHUSA-N 460.394 3.554 50 10 JHGE CC[C@@H](C)[C@@H](CI)NC(=O)c1sccc1I 1993391821 ZURBMJLUJKVXTQ-VXNVDRBHSA-N 463.122 3.932 50 10 JHGE COC(=O)c1ccc(COc2ccc(C=C(C#N)c3nc(=N)[nH]c(=Nc4ccccc4)[nH]3)cc2)cc1 2040489920 HSGDWQQRCDSNHE-UHFFFAOYSA-N 478.512 3.879 50 10 JHGE C[C@]1(NS(=O)(=O)CCC(CCl)CCl)CCCN(C(=O)OCc2ccccc2)C1 2044259484 JBBQRELMSXUPOR-IBGZPJMESA-N 451.416 3.581 50 10 JHGE C[C@H](Br)[C@H]1CCN1S(=O)(=O)c1cc(Br)ccc1Br 2061821412 NLRBGBGDMBNIPC-OIBJUYFYSA-N 462.001 3.758 50 10 JHGE BrC[C@@H]1C[C@@H]2OCC[C@H]2N1c1ncc(I)cc1Br 2069532215 SKBKCUIJSTVLRW-GDPRMGEGSA-N 487.961 3.580 50 10 JHGE C[C@@H]([C@@H](Cl)c1ccc(Br)cc1I)S(=O)(=O)N(C)C 2086149983 VGLSTPAABJLRSE-WRWORJQWSA-N 466.566 3.614 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NCC2(CBr)CCOCC2)C1(C)C 2163063891 RNTJCWPWNLUWNU-RXAIFQJESA-N 467.470 3.969 50 10 JHGE CO[C@@H]1CN(C(=O)c2csc(Br)c2Br)[C@@H](CBr)[C@H]1OC 2233359511 DNPZDGCKPTWTFA-QXFUBDJGSA-N 492.027 3.522 50 10 JHGE CC(C)(C)OC(=O)N1CCN(CCCCI)CCN1C(=O)OC(C)(C)C 2241520179 XPFLNLWKEDNKNC-UHFFFAOYSA-N 483.391 3.906 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCOC(F)(F)F)C1 2242768176 QWQFDQXKDVMSFL-CYBMUJFWSA-N 453.239 3.744 50 10 JHGE COC1(C(F)F)CC(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)C1 2302116337 TWZUIHNLMRQFGE-YWCUFVOSSA-N 463.303 3.782 50 10 JHGE Cn1c(=O)n(C)c2cc(C=C(C#N)C(=O)Nc3ccc(Cl)c(C(=O)O)c3)c(Br)cc21 2313548066 KRDNTQPHQKDCLJ-UHFFFAOYSA-N 489.713 3.537 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OC(=O)c1ccccc1 2328804141 VUFCBGBDRHIDTB-UHFFFAOYSA-N 486.480 3.858 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](CBr)C1(C)C 2338864351 VJSDQAMMSNHUBG-SSDOTTSWSA-N 457.992 3.581 50 10 JHGE Cc1cc(I)ccc1NCC(=O)N/N=C/c1ccc(Br)cc1 1497548 XIDMCGDOBKVOJB-AWQFTUOYSA-N 472.124 3.924 50 10 JHGE COc1ccc(C(=O)N2CCC[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3)C2)c2ccccc12 27639068 LDQBJEQATKSESS-KRWDZBQOSA-N 465.937 3.815 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 40870053 YRRNURCOBVQDAR-DEDYPNTBSA-N 487.468 3.811 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OC)cc2Br)cc1 58894205 HDOVLLAKERKPHJ-QRAWFLTRSA-N 465.344 3.829 50 10 JHGE CC(C)C1=CC(=O)[C@](C)(Br)[C@H](Br)/C1=N\S(=O)(=O)c1ccccc1 96022412 DVKJIDDNNDDYAO-KYPGJACISA-N 463.191 3.899 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598850 LMKPGSGZENHQNY-KOEQRZSOSA-N 468.897 3.688 50 10 JHGE C[C@H](Br)[C@](Br)(CBr)C(=O)Oc1ccc([N+](=O)[O-])cc1 205782563 BZDKPBYUSSCYRI-WRWORJQWSA-N 459.916 3.812 50 10 JHGE O=C(c1cc(I)ccc1Br)N(CCCl)CCCl 236022085 FZZVPUGHHQTUSX-UHFFFAOYSA-N 450.929 3.974 50 10 JHGE C[C@H](Cl)c1nc(N)nc(Nc2ccc(I)c(Br)c2)n1 311592583 GVLKNHUMLSJIEB-YFKPBYRVSA-N 454.497 3.864 50 10 JHGE Cn1ncc(Br)c1[C@@H](Br)c1cc2c(cc1Br)NC(=O)C2 693085286 VYSIELXWFZRTGZ-LBPRGKRZSA-N 463.955 3.924 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CCS[C@H](CCl)C2)cc1Br 720082931 IEMAYWIMZAZWEQ-SECBINFHSA-N 463.644 3.865 50 10 JHGE CC(C)NC(=O)NNC(=O)c1csc(-c2cccc(S(=O)(=O)NC3CCCCCCC3)c2)n1 745135513 ALKRAMFEWGBDDE-UHFFFAOYSA-N 493.655 3.554 50 10 JHGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Br)cc1)O[C@@H](C)C2 1318309123 ZAYQOSSYNJABOP-IWEFOYFVSA-N 459.340 3.736 50 10 JHGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 1585926074 FKWRXPQJOWRDDU-PKNBQFBNSA-N 450.421 3.732 50 10 JHGE C=C(C)[C@@H](NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1671852460 YWYGKHUNVURHTD-GOSISDBHSA-N 452.502 3.560 50 10 JHGE O=C(CC1CCCCC1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858959265 KXIMBHMOZULEMK-UHFFFAOYSA-N 493.513 3.798 50 10 JHGE CO[C@H]1C[C@H](NCCSSCCNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1903182490 QZTIQWRPNRNDHY-HOTGVXAUSA-N 465.682 3.507 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)CC1CCCCC1 1926786422 OGISCNHJMQXLMR-QGZVFWFLSA-N 485.444 3.716 50 10 JHGE CO[C@@H]1C[C@@H](Cl)CN(C(=O)c2cc(Br)ccc2I)C1 2109024613 PBHRGYJREIVGHD-NXEZZACHSA-N 458.521 3.522 50 10 JHGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1F 2179786885 HJCCOFUTAGXZLA-UHFFFAOYSA-N 452.349 3.786 50 10 JHGE C[C@@H](Cl)C[C@@H]1COCCN1C(=O)c1cc(Br)ccc1I 2185319287 PNZOGFQGYBIFTR-MWLCHTKSSA-N 472.548 3.912 50 10 JHGE Cc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2269542320 CYUWUQWNWIPQFI-AREMUKBSSA-N 486.377 3.567 50 10 JHGE C=CC[C@@]1(CBr)CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2287841942 WOWXEPDTOZNKKF-QFIPXVFZSA-N 497.455 3.834 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC[C@H](Br)C2)CC1 2288060935 LINFBJNSYCWZOQ-INIZCTEOSA-N 497.455 3.668 50 10 JHGE C[C@H](C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CCCC3 2325902789 DCRYDXNUFICHOR-LLVKDONJSA-N 459.915 3.610 50 10 JHGE COc1ccc(CC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)c(OC)c1 2326843807 OIBFZSUWPDXQJZ-UHFFFAOYSA-N 463.921 3.967 50 10 JHGE CCC[C@@H](CCBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338834962 COFBDMYFDDPMNP-KRWDZBQOSA-N 487.460 3.964 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2C[C@@H](Cl)CC[C@H]21 2364215129 JCWGCRDNQBAKOG-ABSDTBQOSA-N 453.004 3.655 50 10 JHGE CC(C)[C@H](Cl)C(C)(C)CN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2366068102 HRABXIDGAUQVDJ-UWJYYQICSA-N 460.999 3.562 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1Br 14661530 UDQNHUICSOHYJQ-UHFFFAOYSA-N 479.371 3.746 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2)c(Br)c1 14832251 FRQFWSOSXNCMAF-HNNXBMFYSA-N 476.371 3.908 50 10 JHGE O=C(N/N=C/c1cc(O)c(O)c(Br)c1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 15015415 IFQWSEVNCIQSFY-VTINTOLSSA-N 480.318 3.782 50 10 JHGE C#CCOc1ccc(Br)cc1C=NNC(=O)COc1cccc(Br)c1 254708087 VCCNZRCNSGJFRQ-UHFFFAOYSA-N 466.129 3.753 50 10 JHGE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)cc1 725417330 OUPOKWJGCPUAFP-MJGOQNOKSA-N 452.370 3.837 50 10 JHGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCC(C)C)c1 727348886 AETHUBQESXCHHI-UHFFFAOYSA-N 463.987 3.919 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c(C)n1-c1ccc(F)cc1 828046919 DCXMDOQUJJKOHP-KGENOOAVSA-N 480.565 3.707 50 10 JHGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C#N 1084014023 ONCCYKSNBIJFMQ-UHFFFAOYSA-N 465.941 3.998 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)cc1 1084657472 KDKUJDUFTURRCU-HXUWFJFHSA-N 453.451 3.923 50 10 JHGE CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3F)CC2)cc1 1858628465 HRLALRGYEIAFEH-UHFFFAOYSA-N 465.503 3.537 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Nc4ccc(Cl)cc4)c(=O)c23)C1 1860772450 YUXQQNCTBXEQDR-NWDGAFQWSA-N 459.959 3.650 50 10 JHGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1865680387 JHZUSRYYCSWYDY-SFHVURJKSA-N 453.296 3.827 50 10 JHGE Clc1ccc(I)cc1CO[C@H]1COC[C@H]1I 1904936715 QPSDJVSNFSZJHK-MNOVXSKESA-N 464.468 3.664 50 10 JHGE C[C@H](Br)CN(C)C(=O)c1ccc(Br)cc1I 1995286026 NUMLBEOPUITHFN-ZETCQYMHSA-N 460.935 3.909 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N2C[C@@H](Br)[C@H](Br)C2)c1Br 2075314158 RVCJMCBQKOCFEV-HTQZYQBOSA-N 482.057 3.659 50 10 JHGE CC1(C)C[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H](Br)C1 2089699835 BEBVWHLHZKNJEX-JKSUJKDBSA-N 485.444 3.715 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC2(C1)OCCC[C@@H]2Cl 2159653300 NRVNBVTWJBBDFG-LBPRGKRZSA-N 470.532 3.666 50 10 JHGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2cc(CBr)ccn2)CC1 2179819635 NYTAKEKIQLJWIS-UHFFFAOYSA-N 452.418 3.509 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2179835794 XHNPVZDWGQCVNS-HXUWFJFHSA-N 453.402 3.851 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCO[C@@H]2C[C@@H](Cl)C[C@H]21 2185324489 FNLDDJNJQGGUAI-ZWKOPEQDSA-N 470.532 3.665 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185328077 YSGXOEUPFRHQSH-JFUSQASVSA-N 467.983 3.979 50 10 JHGE C[C@@H](NC(=O)c1cc(I)ccc1F)c1nnc(CBr)s1 2192615686 NITWCTHFEXMVSE-ZCFIWIBFSA-N 470.105 3.668 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1ccc(F)c(Br)c1 2232149558 APLOHQXXSWSLKB-PELKAZGASA-N 464.138 3.716 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCO[C@]2(CCl)C1 2239905684 ZIUZNSPIDPDHFH-LKFCYVNXSA-N 470.532 3.524 50 10 JHGE Cc1ccc(I)c(C(=O)N2CC[C@@H](OCCCBr)C2)c1 2240904693 AXJRHTOAOBIHPJ-GFCCVEGCSA-N 452.130 3.616 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCO[C@@H](CBr)C2(C)C)c1 2240924867 WBMRQXHCKNWRJI-ZDUSSCGKSA-N 452.130 3.614 50 10 JHGE CCN1CCC[C@H]([C@@H](Br)c2cc(C)ccc2I)S1(=O)=O 2240992288 WNRVORKKIDQBCE-KGLIPLIRSA-N 472.186 3.850 50 10 JHGE COc1ccc(C(=O)NC2=NC(=C(C#N)C(=O)NCc3ccc(C)cc3)c3ccccc32)cc1 2296532697 JEHZMUJHQVPELE-UHFFFAOYSA-N 450.498 3.745 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H]2[C@@H]1CBr 2311380942 VSRRCULWWRNVKI-GMEUVTARSA-N 484.957 3.909 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)C)cc1 2314795654 FDPDHEONGGKVLO-UHFFFAOYSA-N 464.518 3.569 50 10 JHGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1OC 2331242719 DFTYRWFSHIFCSE-UHFFFAOYSA-N 492.469 3.824 50 10 JHGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)CC1 2352108594 XMZLYZKUFVQSFC-DWXRJYCRSA-N 454.475 3.999 50 10 JHGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC[C@](C)(CBr)C(C)(C)C)CC1 2352108596 XMZLYZKUFVQSFC-QYBDOPJKSA-N 454.475 3.999 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2OCCc2ccccc2)cc1 10509126 OTERLBSMHLZDCJ-UHFFFAOYSA-N 475.545 3.887 50 10 JHGE Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)cc1 10736853 YRZNYROOCXZCAD-UHFFFAOYSA-N 476.558 3.671 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCc1ccccc1 12483807 PBWPYTOPNXUMGH-UHFFFAOYSA-N 470.161 3.679 50 10 JHGE C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14034016 LMWZDRMEKSZUDO-ZDUSSCGKSA-N 494.342 3.649 50 10 JHGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)[C@H](O)c1ccccc1 59155037 IDOXFZRCDHTHIO-MLQDUXEUSA-N 482.309 3.689 50 10 JHGE CCN(CCO)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100935311 UWBVKPGEQKYTTM-QCZZGDTMSA-N 476.047 3.513 50 10 JHGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/Nc3cc([N+](=O)[O-])ccc3C)C2=O)cc1OC 209905315 PAXMOZDNOMSVPD-ZHZULCJRSA-N 476.489 3.668 50 10 JHGE C[C@H](Nc1ccc(Br)cc1)c1nnc(SCC(=O)NN=Cc2ccccc2)n1C 252612229 IQQIYKHVRZUCQB-AWEZNQCLSA-N 473.400 3.993 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(C)cc3)cc2OC)cc1 254739630 RFOCRVZCAJIEHU-UHFFFAOYSA-N 489.528 3.502 50 10 JHGE COc1ccc(CC(=O)NN=Cc2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1OC 254834399 GUULYWHKOJZYAT-UHFFFAOYSA-N 466.465 3.764 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2cc(Br)ccc2Br)C1 311962133 NOKDZIUBUVCLBM-NXEZZACHSA-N 455.972 3.836 50 10 JHGE CO[C@](C)(CBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 705352753 LGHVYMAMPRYSSG-GFCCVEGCSA-N 494.043 3.598 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1C 731334861 AHZVOLWTYQDMOT-ZWYCOSIFSA-N 485.606 3.811 50 10 JHGE COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C(=O)OC)c1C 790067577 DVHKEDIKFCDQQM-MHWRWJLKSA-N 460.328 3.846 50 10 JHGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O 1084496096 DWVKMUCRBCSHPJ-UHFFFAOYSA-N 487.965 3.708 50 10 JHGE O=C(Cc1csc2nc(-c3ccccc3)cn12)NNC(=O)c1ccc(Br)cc1 1115819462 JXGVQMYIZXMDPB-UHFFFAOYSA-N 455.337 3.829 50 10 JHGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 1310196463 QDIVZWOVOUKLIV-UHFFFAOYSA-N 458.522 3.666 50 10 JHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743862 MIRAXPHVAFQKNS-UHFFFAOYSA-N 494.935 3.552 50 10 JHGE CCCCCCCCCCN1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960410 CWVGPRDQECBOJZ-YADHBBJMSA-N 471.646 3.753 50 10 JHGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)C1 1877586695 BPKWJAOGSLNCGH-WEKSKGKTSA-N 451.427 3.868 50 10 JHGE O=C(NCC[C@H]1COC[C@@H]1Br)c1cc(Br)c(Br)s1 2048658461 GPDLSWKXVMCADF-XPUUQOCRSA-N 462.001 3.803 50 10 JHGE COC(=O)c1ccc(I)c(CBr)c1I 2055321751 QOKHVDGUQAXTPL-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE CCOc1c(I)ccc(I)c1C(=O)CCl 2060136981 LVCYANZWYOSXHG-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE O=S(=O)(Nc1cc(Br)cc(Br)c1)N1CCC(Br)CC1 2105902404 WLVUPJZEPGENER-UHFFFAOYSA-N 477.016 3.728 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2c(Br)cccc2Br)C[C@@H]1Br 2130816853 HXNCFDJWFLORMW-BKDNQFJXSA-N 455.972 3.882 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179826450 SCGOTICTPSJSES-VQTJNVASSA-N 455.462 3.868 50 10 JHGE O=C(N[C@H]1CC[C@H](C(F)(F)F)N(CCCCCI)C1)C(F)(F)F 2214705165 OBKUFUYFXNRGCK-VHSXEESVSA-N 460.200 3.666 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCCN1CCOCC1 2295326971 STZXEIDCCFXSLY-UHFFFAOYSA-N 475.467 3.971 50 10 JHGE O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NN=Cc1ccc(OC(=O)C=Cc2ccco2)cc1 2297708298 UASUBWDLCGRJBE-UHFFFAOYSA-N 469.837 3.989 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(CCOCCI)C1 2306804737 LGZMJTVPWTYREA-JKSUJKDBSA-N 452.377 3.550 50 10 JHGE CCOC(=O)COc1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 2314490635 ZVCCVRIPAJRTAJ-UHFFFAOYSA-N 459.842 3.744 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C=Cc1ccc(Cl)cc1 2314792897 IDMQINQVKQBEGG-UHFFFAOYSA-N 452.894 3.733 50 10 JHGE Cc1ccccc1OCC(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 12503231 BOGCCZXVGNYAHX-UHFFFAOYSA-N 470.378 3.562 50 10 JHGE O=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)C1=NN(c2ccccc2)C(=O)CC1 24043240 IBUSTTYLVVPIAZ-UHFFFAOYSA-N 476.920 3.863 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2ccc(C)nc2)c(Br)c(Br)c1O 26642039 BCSMSVAJNOHZOU-DNTJNYDQSA-N 457.122 3.783 50 10 JHGE N#C/C(=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C(=O)NCc1ccco1 40925836 GYTGFUVFHLNMTD-LZYBPNLTSA-N 462.374 3.539 50 10 JHGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 58891479 LXYFUBGVTKNZLK-LPANUZLBSA-N 462.930 3.645 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCC#N)c(Br)c2)cc1 58893794 NVUVSDIFMTXXPD-QCYAWUEASA-N 460.328 3.714 50 10 JHGE CC(=O)Nc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)cc2C)cc1 100969345 FQAPHGPZKBQQFJ-AFUMVMLFSA-N 475.343 3.616 50 10 JHGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 101335523 SRCVIGQMJVWJJM-UDWIEESQSA-N 450.466 3.652 50 10 JHGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3cccc(Cl)c3)c3ccccc23)C1 254792308 FRZRJLPMHOLKAB-IBGZPJMESA-N 487.025 3.855 50 10 JHGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccccc1O 1083914547 UZQCOWOLBKGUFT-UHFFFAOYSA-N 468.282 3.975 50 10 JHGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccccc2)CCC3)cc1OC 1772748799 ODVVKPBTWKHSTR-UHFFFAOYSA-N 489.572 3.977 50 10 JHGE CCOC(=O)c1c(CBr)ncc(I)c1OC(F)(F)F 1848387794 VUINCWUFGQHVKU-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE Cn1nc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915187546 SNXARTGDOGXYSZ-CQSZACIVSA-N 477.222 3.547 50 10 JHGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Br)cnn1C 1915308093 LXQLVPRLKKESNV-OAHLLOKOSA-N 479.238 3.793 50 10 JHGE Brc1cc(I)cnc1N1C[C@H]2C[C@H]1C[C@H]2Br 1988533587 XUUQOKPJUUESRO-BWVDBABLSA-N 457.935 3.811 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)C1)c1ccc(I)c(Br)c1 2020168522 GSAIOFIYNJBLCZ-OTSSQURYSA-N 472.946 3.957 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179818578 BFQUIADETHKHOR-QZTJIDSGSA-N 469.470 3.828 50 10 JHGE CC(C)(C)OC(=O)N1CCO[C@@]2(CCCN(CCCCCI)C2)C1 2214706104 ZCGRPTSRQBVZFC-GOSISDBHSA-N 452.377 3.694 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@H](CBr)C[C@@H]2CCCO2)c1 2240915948 SVGLBFBKLWSXJF-RYUDHWBXSA-N 452.130 3.662 50 10 JHGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 2313860864 UBQYLNUREDWDAZ-UHFFFAOYSA-N 460.924 3.812 50 10 JHGE COc1ccc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c(Br)c1O 2328827760 AITTZLQGAWSGIW-INIZCTEOSA-N 492.370 3.749 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039502 KOPACNMDEQMVOO-UHFFFAOYSA-N 485.334 3.747 50 10 JHGE CCOc1ccc(N[C@@H](C)C(=O)N/N=C/c2cc(Br)c(OC)cc2OC)cc1 27528123 QDAAKLKCYVKPQL-AEOXGOBCSA-N 450.333 3.816 50 10 JHGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38687309 QUKDBAGSMXCCOK-RPWUZVMVSA-N 456.454 3.659 50 10 JHGE N#C/C(=C\c1ccc(OC(=O)c2cncc(Br)c2)cc1)C(=O)NCc1ccco1 40929009 JUTQMSICHGXXRG-OVCLIPMQSA-N 452.264 3.880 50 10 JHGE Cc1cc2ncn(CC(=O)N/N=C3\C(=O)N(Cc4cccc([N+](=O)[O-])c4)c4ccccc43)c2cc1C 59148708 BUBPFAKMVCNCKP-GNVQSUKOSA-N 482.500 3.629 50 10 JHGE CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)cc1 102456749 CBVSYGZFDDIDIO-VBKFSLOCSA-N 452.565 3.521 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CCCN(CCBr)CC1 123467971 QBWSQUJMUCSOFO-UHFFFAOYSA-N 475.044 3.816 50 10 JHGE C[C@@H](CBr)[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1Br 167746495 TXCPJAWTJKHKDW-JGVFFNPUSA-N 464.017 3.909 50 10 JHGE O=C(NC1(CBr)CCOCC1)c1cc(Br)cc(Br)c1 230747155 FQUPLDFPGDBWDN-UHFFFAOYSA-N 455.972 3.886 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1Br 387794019 NVDWQTNVMNMXIV-GMSGAONNSA-N 462.001 3.616 50 10 JHGE CN(C)C[C@H](Br)CN(C)C(=O)c1ccc(Br)cc1Br 690333042 RJYGKDZVZPENIN-JTQLQIEISA-N 457.004 3.609 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C1CCCC1 725117436 HHGTWSSOEVDTRS-GOSISDBHSA-N 485.444 3.572 50 10 JHGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccc3c(c2)OCO3)cc1 725440522 LPNNWNFOAXXNAT-UHFFFAOYSA-N 485.949 3.799 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCC(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)n1 918642596 HWZGNZYMNGUKAD-QGOAFFKASA-N 458.909 3.779 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)c2cc(C)cc(C)c2)cc1 920853891 HCKQHGXHYMSTFH-XSFVSMFZSA-N 457.534 3.621 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(CBr)cc1 1260505596 JFMDTENSIGQCJP-CVEARBPZSA-N 459.406 3.744 50 10 JHGE O=C(NCC1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1)OCc1ccccc1 1463608451 PXIKYWXDWUJVOO-UHFFFAOYSA-N 450.988 3.795 50 10 JHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)cc(O)c(C)c2O)cc1OC 1565517948 CYCLSAOZOJMGBY-RHMLEAKLSA-N 489.528 3.653 50 10 JHGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F 1566560348 DBMUDXVSRFSIHB-QGZVFWFLSA-N 452.502 3.550 50 10 JHGE CC(=O)c1cccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Br)cc2Cl)c1 1617609736 RQCFSIBSDCJSQP-NSHDSACASA-N 454.708 3.925 50 10 JHGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711914 LIGNVFAZYQQRCA-JOCHJYFZSA-N 464.497 3.877 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)cc1 1867068922 HDJWZQBCUSUKIJ-GOSISDBHSA-N 470.551 3.571 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@@H](CBr)C2(CCC2)C1 1914491006 FFJPUSIHLRONAQ-LLVKDONJSA-N 450.114 3.634 50 10 JHGE O=C(NC[C@H]1CC[C@H](CBr)CC1)c1ccc(I)c(O)c1 1922700770 INZMCUAQXWYADY-XYPYZODXSA-N 452.130 3.928 50 10 JHGE C=C[C@H](CBr)NC(=O)c1cc(I)ccc1Br 1993697894 GIDVCDABVRFKDT-MRVPVSSYSA-N 458.919 3.733 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCCN(CCBr)CC1 2150490841 JLFLNMKDCCHPCL-UHFFFAOYSA-N 469.015 3.754 50 10 JHGE O=C(NC[C@]1(CBr)CC12CCC2)c1ccc(I)c(O)c1 2154202178 JVRHEYHBSHKZHY-OAHLLOKOSA-N 450.114 3.682 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@]2(NS(=O)(=O)c3ccc(CBr)cc3)CCC[C@@H]12 2162586208 FYOCENXCJRNUFF-APWZRJJASA-N 459.406 3.792 50 10 JHGE CN([C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1c[nH]c(CBr)c1 2190546552 HMNLMAYYHFWBAN-JQERWDHBSA-N 453.402 3.914 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1ccc(I)c(Cl)c1 2206483063 ASMJXYZKORMWGE-NEPJUHHUSA-N 470.532 3.759 50 10 JHGE N#CC(=Cc1cc(Br)c(N2CCCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 2313564842 AZHZCENFVFIOHR-YLJYHZDGSA-N 451.328 3.850 50 10 JHGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)C=Cc1cccc(OCc2ccccc2)c1 2321121859 AQBIOQWUMYWWLR-UHFFFAOYSA-N 471.542 3.962 50 10 JHGE Cc1cc(I)ccc1NC=C(C#N)C(=O)N1CCN(Cc2ccccc2)CC1 2325448731 LLPOZKUADZRXPU-UHFFFAOYSA-N 486.357 3.763 50 10 JHGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(S(C)(=O)=O)cs1 2338720146 OLDLSQWAASIAJG-SSDOTTSWSA-N 493.040 3.894 50 10 JHGE O=C(Cc1ccc(Br)cc1)NCC(F)(F)C(F)(F)CI 2361687935 WQZPIGBXOMLNIZ-UHFFFAOYSA-N 468.026 3.813 50 10 JHGE COc1cc(C=NNC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)cc(OC)c1OC 8430830 JOHSIMWQSZWYTL-QFIPXVFZSA-N 476.577 3.819 50 10 JHGE biogenic Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)c(C)c1 12503485 UFFLQTABYKVBPD-ACCUITESSA-N 474.586 3.911 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 14661550 XKHZQAOIKGGYOK-UHFFFAOYSA-N 499.361 3.981 50 10 JHGE CCCCN1C(=O)CC[C@@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)[C@H]1c1ccccc1OC 22698926 VDLWZSJIWQXQNT-CJFMBICVSA-N 476.577 3.728 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(C)c1C 59260961 FOWBVENGBLOZLB-KWJLSGNOSA-N 487.033 3.711 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1Br 161202127 WCUXFFXPZWQBRV-WPRPVWTQSA-N 455.972 3.836 50 10 JHGE CC1(C)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H](CBr)O1 164357607 PRFUPVCVZCNBHA-SSDOTTSWSA-N 467.632 3.727 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCN2C[C@@H](Br)C[C@@H]2C1 405278612 UCYOXNYBKWTCFW-QWHCGFSZSA-N 466.999 3.505 50 10 JHGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)c(OC)c1 1084299553 NJDAMQWTVYYAPT-LJQANCHMSA-N 479.389 3.954 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)cc1C 1084387871 XWXDVXUBKBQFHC-UHFFFAOYSA-N 476.558 3.551 50 10 JHGE C[C@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccccc1 1084459163 DDBDWNWHMQPYPD-KRWDZBQOSA-N 478.936 3.685 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(C(C)(C)C)cc3)CC2)cc1 1566765400 JWHCLEQZXCCNNN-UHFFFAOYSA-N 457.596 3.731 50 10 JHGE C[C@@H](C(=O)NNC(=O)CCCSc1ccccc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851919 KMPXQMFHQXQBOZ-CVEARBPZSA-N 484.647 3.864 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCCC2)C[C@H]1CBr 1912782502 AQJNILADYUBALN-KRWDZBQOSA-N 497.455 3.812 50 10 JHGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 1915100089 ASDWXLGHMUCRER-CQSZACIVSA-N 478.405 3.594 50 10 JHGE O=S(=O)(c1ccc(Br)cc1Cl)N1C[C@H](Br)[C@H](Br)C1 2075313771 FTRVLXGEAAGJCH-OCAPTIKFSA-N 482.419 3.634 50 10 JHGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)CCC(F)(F)CBr 2123362408 FQJZICPRYJZHBN-UHFFFAOYSA-N 453.393 3.723 50 10 JHGE BrC[C@@H]1C[C@@H]2OCCN(c3ncc(Br)cc3Br)[C@@H]2C1 2135038517 GVDLADZDBJIWOV-AXTRIDKLSA-N 454.988 3.985 50 10 JHGE Cc1cc(C(=O)N2CCS[C@H](CCBr)C2)ccc1I 2142117463 MDBBFJZUHYXCAJ-GFCCVEGCSA-N 454.171 3.942 50 10 JHGE C[C@H](Br)CN1CCN(C(=O)c2c(Br)cccc2Br)CC1 2170214213 RUKPUUNDIMGWBQ-JTQLQIEISA-N 469.015 3.753 50 10 JHGE O=C(NC[C@@H]1CC[C@H](CCl)CO1)c1ccc(I)c(Br)c1 2279401439 LKKPEGDULYLUJY-KOLCDFICSA-N 472.548 3.818 50 10 JHGE CC1(C)OCCN(C(=O)c2ccc(I)c(Cl)c2)[C@@H]1CBr 2282798954 FTFFZGZXRDNTNI-GFCCVEGCSA-N 472.548 3.959 50 10 JHGE N#CC(=Cc1ccccc1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2325306938 QFKAYQKXUSROMK-RUZDIDTESA-N 468.509 3.955 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2364017130 GZZOGBANGDSCPO-HRDYMLBCSA-N 470.003 3.723 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccccc1Cl 12570155 HUAZXPSXWFHROQ-SNVBAGLBSA-N 476.769 3.515 50 10 JHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1Br 14644919 CHTHMGSYFUWAKK-UHFFFAOYSA-N 494.411 3.832 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCC)c(Br)c2)cc1 14647392 VZAPSQLYFPLDMQ-UHFFFAOYSA-N 493.354 3.645 50 10 JHGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14664741 ACKUMXCGEWDKNA-UHFFFAOYSA-N 482.606 3.942 50 10 JHGE Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NNC(=O)c3cc(Br)cn3C)cc12 16271065 YTVRWXTXUNJOSI-UHFFFAOYSA-N 490.358 3.769 50 10 JHGE CCOC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)[C@@H]1c1cc(OC)c(OC)c(OC)c1 20609286 LYMABCWFQLRRJG-IBGZPJMESA-N 493.541 3.526 50 10 JHGE CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(Br)c1O 39724872 VCAOSOOSQDYIRJ-AWQFTUOYSA-N 472.133 3.845 50 10 JHGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1ccc(Br)cc1 102976627 CZKYXMKVNCSRQR-QUWSGOTNSA-N 472.364 3.630 50 10 JHGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\N2CCN(c3cccc(Cl)c3)CC2)cc1OC 217174500 XKDLNDDKUZBXPF-DOMQTXCISA-N 454.958 3.764 50 10 JHGE CC1(C)CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H](CBr)O1 232350566 GWWDVPGWHOJXPI-SNVBAGLBSA-N 472.548 3.959 50 10 JHGE CC(=O)N=C1C(=O)N([C@]2(C)C[C@H](N=C=O)CC(C)(C)C2)C(=O)N1[C@]1(C)C[C@H](N=C=O)CC(C)(C)C1 257353272 QGBJKHLFSRPDNS-BRUHTKEMSA-N 485.585 3.542 50 10 JHGE O=C(CBr)c1cc(I)c(I)cc1F 307514645 RILJCUMULUJZMU-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE Cn1cc(C(=O)Nc2ccc(OC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cc2)cn1 727807929 FDVVMYWMIDBDJF-ZHZULCJRSA-N 491.511 3.962 50 10 JHGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2scnc2C)ccc1Cl 729452704 COIMCAXHCOBHQI-UHFFFAOYSA-N 490.994 3.561 50 10 JHGE CCOc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)cc(I)c1O 1084326841 OJLWLPVVJCUIAY-UHFFFAOYSA-N 458.683 3.742 50 10 JHGE COc1ccc2c(c1)C(=NNC(=O)c1cc(Br)ccc1O)C(=O)N2CCC(C)C 1772719856 FZIGTLNWNINFLB-UHFFFAOYSA-N 460.328 3.690 50 10 JHGE COc1ccc(OC)c(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c1 1858682130 BUZOUZZXQKDMAH-UHFFFAOYSA-N 486.412 3.775 50 10 JHGE CCCN1CC[C@@H]([C@@H](Br)c2ccc(I)cc2)S1(=O)=O 2089534459 GAQNNRAVRJACKX-STQMWFEESA-N 458.159 3.541 50 10 JHGE C[P@]1(=O)C[C@H](Cl)[C@H](NC(=O)c2ccc(I)c(Br)c2)C1 2121335663 BFTUMROZDSICPY-NWJBQHJCSA-N 476.476 3.766 50 10 JHGE O=C(NC1(CBr)CC2(CCC2)C1)c1ccc(I)c(O)c1 2163540829 AXKHFOIODXICAU-UHFFFAOYSA-N 450.114 3.824 50 10 JHGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2ccc(CBr)cn2)C1 2179809146 QFTQFWLWQDFFNP-IBGZPJMESA-N 452.418 3.652 50 10 JHGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1CC2(CN(Cc3ccccc3)C2)C1 2179859579 GLISLNSJXAWIOE-UHFFFAOYSA-N 453.377 3.536 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184574038 JSQBKFMANDGNGM-YHPBZONMSA-N 450.114 3.775 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189050389 PPRLYMQRPWZYJM-YFKFIEJBSA-N 467.983 3.694 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@@](=O)(=NCCCCI)C2 2243588227 AVZMWJUMUHPASC-HJPURHCSSA-N 456.390 3.843 50 10 JHGE CN1CC[C@](C)(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2253325794 CGOJEUQHSADMRJ-ZWKOTPCHSA-N 452.377 3.550 50 10 JHGE Cc1nc2c(cc1Br)nc(CCl)n2-c1cnn(C)c1I 2280059084 XXKPFCXNTRUJII-UHFFFAOYSA-N 466.508 3.568 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CCCCN2CCOCCI)CC1 2306796001 FNENWYRQUHCWTK-UHFFFAOYSA-N 452.377 3.694 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2COC3(CCC3)CO2)C1 2339384300 OLVNUASYYJCEAT-HNAYVOBHSA-N 481.371 3.546 50 10 JHGE Clc1ccc(I)cc1CN1C[C@H]2COC[C@@]2(CBr)C1 2352431881 MERWWAULXQFYRV-SMDDNHRTSA-N 456.549 3.788 50 10 JHGE CCC[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2364190390 MITBPOYJSPWABW-QZTJIDSGSA-N 499.471 3.916 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3I)cc2)c1 12578251 VSYOJPZFBREQMV-UHFFFAOYSA-N 499.308 3.927 50 10 JHGE COc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14006417 YKKOHVYWBMKVFE-CQSZACIVSA-N 479.371 3.749 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041874 VFIPMNFTTHYNGT-UHFFFAOYSA-N 490.585 3.606 50 10 JHGE COc1ccc(CNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccccc3F)c3ccccc32)cc1 102673666 FHMYEVSYQXTTBI-XTQSDGFTSA-N 454.461 3.576 50 10 JHGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1cc(I)cc2c1OCC2 312244203 AWSZNSQVWYOJPR-STQMWFEESA-N 471.154 3.629 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CCN2C[C@H](Br)C[C@@H]2C1 405264539 KXPLKRNLCAOFJR-HTQZYQBOSA-N 473.028 3.567 50 10 JHGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3)S(C)(=O)=O)c2C)c1 1084249340 TYYNUMLMJAHIPX-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)c2ccccc2Br)cc1OC 1084447112 LYMFGHKWBXMLJU-UHFFFAOYSA-N 469.719 3.817 50 10 JHGE Cc1c(C(=O)NCc2ccccn2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746161 CNHBJZLJOUOVAM-UHFFFAOYSA-N 482.338 3.541 50 10 JHGE O=C=Nc1c(I)cc(I)cc1OC(F)(F)F 2060037112 WWJCBLAUWGVICN-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE O=S(=O)(c1c(Cl)cccc1Br)N1C[C@H](Br)[C@H](Br)C1 2075314243 UPBKVDVEKYYJCW-OCAPTIKFSA-N 482.419 3.634 50 10 JHGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1I 2185319709 RWHGTSGNOSVCJN-GXSJLCMTSA-N 472.548 3.959 50 10 JHGE Cc1cc(S(=O)(=O)N[C@@H](C)c2nnc(CBr)s2)sc1Br 2192613906 SNPDSJHFGSUABQ-LURJTMIESA-N 461.226 3.605 50 10 JHGE Cc1ccc(I)c([C@@H](Br)CS(=O)(=O)N2CCCCC2)c1 2240992316 WTSHANTUTOMAJR-ZDUSSCGKSA-N 472.186 3.851 50 10 JHGE C=CC[C@@]1(CBr)CCCN(C(=O)c2cc(I)sn2)C1 2272180028 UJWUILUBXBXJHJ-ZDUSSCGKSA-N 455.159 3.941 50 10 JHGE Clc1ccc(CN2CCN3C[C@@H](Br)C[C@@H]3C2)cc1I 2337223573 OGZWJOYDXWVWQF-NWDGAFQWSA-N 455.565 3.598 50 10 JHGE C[C@H](NC(=O)c1c(Br)c(Br)nn1C)[C@H]1CCC[C@@H]1Br 2338863574 LSNUQKJANMFWBL-RNJXMRFFSA-N 457.992 3.627 50 10 JHGE CC[C@@](C)(COc1c(Br)cc(Br)cc1Br)C(=O)NN 2343175249 TTWQHDPPURHHHS-LBPRGKRZSA-N 458.976 3.759 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccccc1I 13980301 XJGTVDOGWWIFLJ-ZDUSSCGKSA-N 452.292 3.645 50 10 JHGE Cc1ccccc1NCc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1-c1ccccc1 20923116 DVNCXXZBLPLRSI-UHFFFAOYSA-N 490.564 3.880 50 10 JHGE CCCOc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 33929483 XVEGNCMHBLUZMN-LCJWJQHCSA-N 468.579 3.846 50 10 JHGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(C)cc2C)nc2c(C)cccn2c1=O 34780141 OTNCJGJWTOHCBB-HKWRFOASSA-N 460.534 3.862 50 10 JHGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 40569371 AMDZLKIMIDGCEB-XLIONFOSSA-N 470.367 3.960 50 10 JHGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCc4ccc5c(c4)OCO5)c(C)c32)cc1 40813807 IYDRYQTZFOFFGQ-TURZUDJPSA-N 475.501 3.726 50 10 JHGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(C)cc4)c(C)c32)cc1 101592507 XXDCJMVAQBIWRF-NHFJDJAPSA-N 458.518 3.750 50 10 JHGE CC(C)Oc1ccc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)cc1Br 169887171 SRHWHLJRDXHPEU-FMCGGJTJSA-N 457.328 3.968 50 10 JHGE Cc1ccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1Cl 217011634 RDSGYHGMTSSHRG-SQFISAMPSA-N 495.388 3.781 50 10 JHGE COC[C@@H](Br)CN(C)C(=O)c1cc(I)ccc1Br 234667392 BEOPFMDNKGZFGN-QMMMGPOBSA-N 490.961 3.536 50 10 JHGE O=C(O)[C@@H](Cl)COc1c(I)cc(Cl)cc1I 390061768 VCDNFQCASGCPGR-YFKPBYRVSA-N 486.858 3.620 50 10 JHGE O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Cl)c1Cl 725439789 IDCOKZQOMWSWCH-UHFFFAOYSA-N 466.346 3.928 50 10 JHGE C[C@H](NC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 761414040 CPYDHIYYHDERSL-CUWZMTEDSA-N 471.561 3.855 50 10 JHGE O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1n[nH]c2c1CCCC2 1318212152 YNDWPIXEUUGQDC-UHFFFAOYSA-N 460.469 3.583 50 10 JHGE C=CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@@H]1CCS(=O)(=O)C1 1528599672 CBDYDPMXFFBRSU-BHSBJAHRSA-N 457.983 3.856 50 10 JHGE C=CCNC(=S)NNC(=O)Cc1sc(Nc2ccccc2OC)nc1-c1ccccc1 1618594582 VPZJOXVSCDBOTK-UHFFFAOYSA-N 453.593 3.786 50 10 JHGE Cc1c(C(=O)NNC(C)(C)C)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772745434 ZJIDSSUPTUPLIA-UHFFFAOYSA-N 461.360 3.854 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccccc4C(F)(F)F)c(=O)c23)cc1 1860770699 SKIUWDBPEJXUDB-UHFFFAOYSA-N 486.475 3.913 50 10 JHGE COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C(=O)NCc2ccccc2)cc1 1873496229 JKNIWUMTTJXPSI-JFLMPSFJSA-N 496.361 3.917 50 10 JHGE O=C(NC[C@@]1(CBr)CCCO1)c1ccc(I)c(Cl)c1 1879604127 GHHSMPUAQAZSRT-ZDUSSCGKSA-N 458.521 3.619 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@@]2(CBr)C1 2029658188 WISPMMWHSNNEKG-ISVAXAHUSA-N 484.957 3.911 50 10 JHGE Cc1cc(I)cc(I)c1C(=O)CBr 2060167393 OCJUJFPMJOQUJH-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@@]2(CBr)C1 2086147466 NLLAQKJINZXBNU-ISVAXAHUSA-N 484.957 3.911 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2225384772 JUDXIBQVWVQYGK-LPEHRKFASA-N 455.159 3.773 50 10 JHGE O=C(C=Cc1ccco1)NCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 2297295800 WNYXGFQFHLEJQS-UHFFFAOYSA-N 482.334 3.901 50 10 JHGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2)c(OC)c1 2314729205 YVPLWPSXSFDFQK-UHFFFAOYSA-N 460.280 3.912 50 10 JHGE O=S1(=O)CC[C@H]([C@@H](CBr)Cc2ccc(Cl)c(I)c2)C1 2337226031 SLDFZMSJLFBWRO-WDEREUQCSA-N 477.589 3.933 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@](C)(CCBr)C1 2338863353 JHYPFOIGQVFKIY-GFCCVEGCSA-N 457.992 3.582 50 10 JHGE O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccc(-c2cccc(Br)c2)o1 8336948 XOBHFJZUDLGKJV-FYTYHVAXSA-N 452.308 3.689 50 10 JHGE CCOC(=O)c1sc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(SC#N)c1C 9629758 NXRWUPPNYMFBRW-UHFFFAOYSA-N 458.970 3.872 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Nc3nc4ccc(C)cc4s3)c2[N+](=O)[O-])cc1 40650517 LBNCWNBQYJVZFV-UHFFFAOYSA-N 451.468 3.812 50 10 JHGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCN(c2ccccc2)CC1 40727120 VQIBKIOQDFVZKL-UHFFFAOYSA-N 479.588 3.661 50 10 JHGE COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 48572341 OMELOJBPXBMDQO-VULFUBBASA-N 465.893 3.794 50 10 JHGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)NCc1ccccc1 102683859 JOMVZLHSSDFMKH-CYVLTUHYSA-N 452.470 3.719 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3cc4ccccc4cc3O)c3ccccc32)cc1 104995529 YDQJTBUVXUQXGF-URGPHPNLSA-N 478.508 3.973 50 10 JHGE O=C(/C=C/c1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 105613081 FCVLECWIPCOGSY-SDNWHVSQSA-N 492.461 3.882 50 10 JHGE CCc1cccc(C)c1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217219377 PHJYHXKQGMLMFI-SDXDJHTJSA-N 488.997 3.690 50 10 JHGE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cccc(C)n1 252594791 BULAADBTQOJDDM-UHFFFAOYSA-N 456.959 3.642 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3O)nnc2-c2ccc(C)cc2)cc1 254490233 RSTVTPVCSYLAKI-UHFFFAOYSA-N 489.557 3.905 50 10 JHGE COc1cc(OC)c([N+](=O)[O-])cc1C=NNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 254873794 RUPJBMSLHVZYBG-OMIQGFNUSA-N 480.502 3.595 50 10 JHGE COC[C@](C)(CBr)NC(=O)c1cc(Br)ccc1I 716905607 AMWVTVBRSXOKPK-LBPRGKRZSA-N 490.961 3.584 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1 821892381 DGOHCWHLPCYLGC-YAECTWJJSA-N 477.883 3.933 50 10 JHGE C/C(=C/C#N)N1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)cc2C1=O 1084553181 KTBWVXGXEHQXGJ-PTNGSMBKSA-N 482.496 3.891 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 1260510658 OZAZAKPXPXSBHV-GOSISDBHSA-N 465.385 3.599 50 10 JHGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749222 JMDNJSXWSHNTCL-UHFFFAOYSA-N 480.609 3.863 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772751817 ZJYBTZIFQFCPQO-UHFFFAOYSA-N 495.539 3.990 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)c(Br)c1 1772756576 ZCSDNYIHGXBOKU-UHFFFAOYSA-N 450.289 3.890 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CCC(Br)CC2)C1 2156007810 GXPBYRLKLLLUMF-UHFFFAOYSA-N 497.455 3.812 50 10 JHGE CP(C)(=O)[C@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2181629544 XIAPHNIFAIRDLY-QMMMGPOBSA-N 465.169 3.791 50 10 JHGE C=CCC1(CCl)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2287745239 NJAGANIKOVAXBZ-UHFFFAOYSA-N 453.004 3.680 50 10 JHGE COC1CC2(CC(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)C2)C1 2307609060 DAGKFLMHDJPBON-WCNMNQKQSA-N 453.361 3.927 50 10 JHGE COc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc2c(c1)OCO2 2313568413 RVYPAJNNMIJHGU-UHFFFAOYSA-N 459.296 3.761 50 10 JHGE CSCC[C@@H](Cl)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338851032 WSFWAYVKPVEVPT-INIZCTEOSA-N 461.049 3.513 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](CBr)C12CCC2 2364213353 GQVQUDHLPVZNNK-KRWDZBQOSA-N 497.455 3.812 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](NCC2CC(Br)C2)(C(=O)O)[C@H]1C(F)(F)F 2377466272 YTHOFZFOUMOGII-SRFLYJQJSA-N 459.303 3.535 50 10 JHGE CO[C@@H]1[C@H](OC)CN(Cc2cc(I)ccc2Cl)[C@H]1CBr 2380513063 QYBLVXRVVYWYDP-MJBXVCDLSA-N 474.564 3.554 50 10 JHGE CS(=O)(=O)[C@H]1C[C@@H](CO[C@@H](CI)c2cccc(Br)c2)C1 2381023053 HZPQHMPSMXFEGB-GDLCADMTSA-N 473.170 3.765 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)Nc1ccccc1 12483739 YKHDYGIQDYOASX-UHFFFAOYSA-N 473.190 3.917 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)cc1 14031302 DYUKPYSLPCDDBR-UHFFFAOYSA-N 494.411 3.515 50 10 JHGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N2CCOCC2)c1 35549814 VCRKWDDESNBGGY-CYVLTUHYSA-N 458.518 3.684 50 10 JHGE CN1C(=O)/C(=N\NC(=O)CN(Cc2ccccc2)Cc2ccccc2)c2cc(Br)ccc21 59167242 PTFCUDORAVTBKB-COOPMVRXSA-N 491.389 3.948 50 10 JHGE O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1cccc(I)c1 100449636 QUNMDJNLXBXEIB-UHFFFAOYSA-N 472.282 3.945 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H](CBr)O1 235355248 NBZWKLAAKDUCHI-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE CCOc1ccccc1C=NNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 252617070 KLQLXGSXURMJSL-UHFFFAOYSA-N 458.547 3.970 50 10 JHGE ClCc1nnc(Nc2cc(I)cc(I)c2)o1 690419747 MCCSBCRGUFKJGD-UHFFFAOYSA-N 461.428 3.761 50 10 JHGE CO[C@@]1(CCl)CCN(C(=O)c2ccc(I)c(Br)c2)C1 721616626 UZJFCGCBTFNJHJ-CYBMUJFWSA-N 458.521 3.524 50 10 JHGE CC(C)Oc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860771641 CGEMXXMQXPLQDU-PCUGXKRQSA-N 480.590 3.546 50 10 JHGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714863 RWVSQVADJYPRNG-LJQANCHMSA-N 455.833 3.864 50 10 JHGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865852327 SMRXSTMBWRYTMP-QGZVFWFLSA-N 482.606 3.521 50 10 JHGE CSCC[C@@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)Nc1ccc(SC#N)cc1 1867252525 FESTVBNIGDUNSE-MRXNPFEDSA-N 455.565 3.743 50 10 JHGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1C(=O)Nc2cc(F)c(Br)cc21 1984041447 YEHRFANRMIFCBO-NEPJUHHUSA-N 452.118 3.912 50 10 JHGE C[C@@H]([C@H](Cl)c1ccc(Br)cc1I)S(=O)(=O)N(C)C 2086149980 VGLSTPAABJLRSE-CPCISQLKSA-N 466.566 3.614 50 10 JHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1ccc(Br)cc1Br 2097946828 SXWIESXRYMKZRD-ZJUUUORDSA-N 455.972 3.884 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CC[C@@](CBr)(C(F)(F)F)C1 2111394666 PHECCNXVUJYEIZ-GPANFISMSA-N 456.324 3.713 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)c1cc(Cl)ccc1I 2112713288 LYPIJOWPMIMKHO-CYBMUJFWSA-N 458.521 3.571 50 10 JHGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1ccc(CCBr)s1 2123243630 MHNPLPHUMGJQLJ-UHFFFAOYSA-N 454.415 3.751 50 10 JHGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)CCC(F)(F)CBr)C1 2123366406 YOIIPVMNURTGNQ-KRWDZBQOSA-N 453.393 3.723 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1CCN(Cc2ccccc2)CC(F)(F)C1 2149543024 CJCBYAZTQWNPNA-UHFFFAOYSA-N 483.762 3.923 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@@H]2OCC[C@]2(CBr)C1 2278858701 GPGNZAKDHZMFFJ-UFBFGSQYSA-N 474.012 3.899 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@@]1(C)CCCN1C)C(=O)OC(C)(C)C 2300065910 NONPYGLASNMCHA-QZTJIDSGSA-N 454.393 3.938 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1cc(C)ccc1C 2314795733 KRJHOTSVKMMFBW-UHFFFAOYSA-N 478.545 3.842 50 10 JHGE O=C(N/N=C/c1ccc(Br)o1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2911240 UVIFERAYLTZJQN-SKLSXVDLSA-N 483.278 3.872 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1Br 12573870 SNWQYAQBBXCWOZ-UHFFFAOYSA-N 478.412 3.770 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1 14652730 FYHFYXVFBQDTKV-UHFFFAOYSA-N 486.160 3.840 50 10 JHGE CCNC(=S)NNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 25394734 UYEDDAYMPPWDDZ-LZLYRXPVSA-N 451.658 3.912 50 10 JHGE COc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc(Br)c1OCc1ccccc1 33921878 YZCYZDDMFBKEGB-MFOYZWKCSA-N 494.349 3.744 50 10 JHGE O=C(NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658480 NHXNHAIZNHSKMD-UHFFFAOYSA-N 475.215 3.605 50 10 JHGE Nc1c(NNC(=O)COc2ccccc2)ncnc1N(Cc1ccccc1)Cc1ccccc1 40709619 WURPCCJFBINQOC-UHFFFAOYSA-N 454.534 3.788 50 10 JHGE Cc1cccc(OCC(=O)NNC(=O)Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)c1 107909609 JPSZCAXWVLKRLJ-UHFFFAOYSA-N 460.456 3.585 50 10 JHGE CC1(C)CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H](CBr)O1 164357475 PRFUPVCVZCNBHA-ZETCQYMHSA-N 467.632 3.727 50 10 JHGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2)cc1OC 207106612 JTRVIVITUGYWJN-GVASSZBTSA-N 464.518 3.772 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N(CCBr)CC(F)F 231582404 AQKCJJANPJLAGW-UHFFFAOYSA-N 485.970 3.862 50 10 JHGE CO[C@@H]1C[C@H](CCl)N(C(=O)c2cc(Br)ccc2I)C1 311535037 MBBAJWHBRZJOFT-NXEZZACHSA-N 458.521 3.522 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)c2cc(Br)sc2Br)C1 401586280 MZUQVIZXFVKIFE-LLVKDONJSA-N 462.001 3.899 50 10 JHGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1084263894 NHICGDKXNAAMND-KRWDZBQOSA-N 464.334 3.845 50 10 JHGE CN(C(=O)c1cccc(C(=O)NNC(=O)c2ccc(Br)cc2)c1)c1ccccc1 1326561496 IFGBJYWFSXCSFM-UHFFFAOYSA-N 452.308 3.801 50 10 JHGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNc1nc(Br)cn2ccnc12 1472523471 OOMPAWPLCUDWPG-CSKARUKUSA-N 456.222 3.937 50 10 JHGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1 1865689304 PBCMCLHZSGYLBN-IBGZPJMESA-N 483.322 3.884 50 10 JHGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872746880 DCGMDWMBDQEMGF-VLGSPTGOSA-N 477.414 3.715 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1877420118 RKLQUCHRLNINGT-KSZLIROESA-N 455.393 3.728 50 10 JHGE C[C@@H](Br)[C@@H](NC(=O)Cc1ccccc1I)C(F)(F)F 1882674173 LBIDRLAKDMRUNJ-RDDDGLTNSA-N 450.036 3.664 50 10 JHGE CC(C)C(CBr)(CBr)Cc1nn(C)cc1I 1902322092 UPRNXTGRPORRRO-UHFFFAOYSA-N 463.983 3.999 50 10 JHGE O=S1(=O)CC[C@@H](COc2c(Br)cc(Br)cc2CBr)C1 2092342490 JUOSDKFKDWYNGG-QMMMGPOBSA-N 477.012 3.920 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC[C@@H](CBr)CC2CC2)CC1 2112872175 VYJZOJPSXOSHJF-AKJBCIBTSA-N 452.459 3.753 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@]2(C[C@@H](Cl)CO2)C1 2207266274 CCNCICZOOLIBKJ-YGRLFVJLSA-N 470.532 3.666 50 10 JHGE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CBr)cc1 2240659014 ZOGGCNSWSXRASQ-MRXNPFEDSA-N 461.422 3.992 50 10 JHGE CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)c1ccccc1Br 2313682109 VIPUVNZNYBLWFV-UHFFFAOYSA-N 470.352 3.990 50 10 JHGE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=NNC(=O)CCN1C(=O)CSC1=S 2321260694 CGCCPRASBZJJPD-UHFFFAOYSA-N 491.948 3.830 50 10 JHGE COc1ccc(-c2ccc(C(=O)NN=C(C)c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)c(C)n2)cc1 2321266284 AXTXHMXGEJKXHI-QGZVFWFLSA-N 458.518 3.963 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(Cc2ccccc2)C(C)(C)C1 2325584575 DRSWXXWLMCPUGP-HSZRJFAPSA-N 483.700 3.990 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)C1CCCC1 2338669251 BHXHUWFQKJHYFB-MRVPVSSYSA-N 457.992 3.629 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CC2(CC[C@@H](CBr)O2)C1 2361991570 ZDDJCFDQUKDXIM-LBPRGKRZSA-N 467.983 3.980 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 12570092 RQHURRMGOGWLEW-NSHDSACASA-N 490.796 3.823 50 10 JHGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 14025601 FBQBNZKJOOQZMI-UHFFFAOYSA-N 489.594 3.621 50 10 JHGE O=C(CSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1)NNC(=O)c1ccc(Cl)cc1 20923442 PTWRAMJPBUYYSY-GZIVZEMBSA-N 498.783 3.764 50 10 JHGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40649903 HHGARKTVJMCVBG-UHFFFAOYSA-N 495.452 3.606 50 10 JHGE COC1(CCl)CCN(C(=O)c2cc(Br)ccc2I)CC1 401966143 FIMDNDOQAJOSHZ-UHFFFAOYSA-N 472.548 3.914 50 10 JHGE O=C(NCC1(CBr)CC1)c1ccc(I)c(Br)c1 721593241 JBRMXRINVPOLJZ-UHFFFAOYSA-N 472.946 3.959 50 10 JHGE Cc1nc(CNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)nc2ccccc12 726714022 BEMBSIHBLZNPHD-UHFFFAOYSA-N 459.481 3.801 50 10 JHGE Cc1cc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)ccc1-n1cnnn1 913016871 FVZCJDYUQSHBAL-PDGQHHTCSA-N 483.923 3.947 50 10 JHGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1083850823 DQCASDBXWOAGRL-UHFFFAOYSA-N 458.765 3.629 50 10 JHGE COc1ccc(CCNC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1OC 1084388635 HXIZWYIZNKDZPU-UHFFFAOYSA-N 476.577 3.537 50 10 JHGE C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 1086849250 LWDGMKFPKKEGIC-WSACYYNKSA-N 453.352 3.864 50 10 JHGE C=C[C@H](CC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1 1135581987 KZZBUZGLVQIGEQ-HXUWFJFHSA-N 452.514 3.566 50 10 JHGE O=C(COc1ccccc1OCc1ccccc1)NNC(=O)c1ccc(Br)cc1 1318387165 LQQRXWHRPHNKQP-UHFFFAOYSA-N 455.308 3.868 50 10 JHGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)C(F)(F)Oc1ccccc1 1476729696 YELHAPOSDDMDIX-UHFFFAOYSA-N 456.243 3.838 50 10 JHGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1 1867077525 MOUXGWIVKGMQNR-ZDUSSCGKSA-N 475.596 3.806 50 10 JHGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(OC)c1 1872755679 ZRXFLXDRTGYCBX-ZPHPHTNESA-N 492.469 3.824 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC=C[C@@H]1CBr 2007525358 ZLGPQIWKVXTUPR-SECBINFHSA-N 470.930 3.829 50 10 JHGE C[C@@H]1CN(C(=O)c2csc(Br)c2Br)C[C@H](CBr)O1 2032953017 AZYCWXUSDCPITA-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)CCC12CCC2 2117901487 BAQYFPSBDWBZOF-INIZCTEOSA-N 483.428 3.565 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2Br)C[C@H]1Br 2130824371 RAIBGASYOPOWGD-GGZOMVNGSA-N 455.972 3.882 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2167014391 ZZSNSQAOCFUWPB-HLIPFELVSA-N 497.455 3.811 50 10 JHGE C[C@H]1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)CN(C(=O)OC(C)(C)C)C1 2172557733 RRTREJWMBPXTHZ-GOEBONIOSA-N 461.422 3.753 50 10 JHGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)cc1 2179776378 UBKZPFXVEJBHRN-FQEVSTJZSA-N 451.430 3.909 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CCC[C@H](Br)C1 2338691256 QAGOIQBHJHGNHN-SFYZADRCSA-N 457.992 3.629 50 10 JHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)c(Br)c2)cc1C 10153535 OBFUPCIXKOKAHZ-QFBILLFUSA-N 491.382 3.852 50 10 JHGE COC1=CC=C/C(=C\NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)C1=O 135967019 WNZBGJCLNGMAHN-XDJHFCHBSA-N 473.558 3.509 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCC[C@@H](C)Br)cc1Br 136989939 IJTKGTYXYJWWQJ-MRVPVSSYSA-N 464.017 3.972 50 10 JHGE CC(=NNC(=O)c1c(Br)c(C)nn1C)c1ccc(NC(=O)c2ccoc2C)cc1 252611191 IHHVYBNVWIERER-UHFFFAOYSA-N 458.316 3.799 50 10 JHGE O=C(Oc1cccc(C=NNC(=O)[C@H]2COc3ccccc3O2)c1)c1cccc(Br)c1 252623155 OLDMBEPZSRCYJY-OAQYLSRUSA-N 481.302 3.958 50 10 JHGE COC(=O)c1ccc(C=NNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 254403883 QYRROJZORJTYOY-UHFFFAOYSA-N 456.546 3.559 50 10 JHGE COc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 254507146 AKQFANOFXKCOQF-UHFFFAOYSA-N 471.492 3.567 50 10 JHGE CC(C)(COC(=O)CCC(=O)O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 1088686714 LTDFNUGKZJYWCU-UHFFFAOYSA-N 460.914 3.561 50 10 JHGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746394 FDQRAPDJOIVINT-UHFFFAOYSA-N 485.588 3.618 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc(OC)c1OC 1865692583 NOHDAADWXRRMNE-OAHLLOKOSA-N 452.433 3.802 50 10 JHGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1C(=O)O)C(C#N)=C(N)O2 1865704399 UXZNLGVSEDWLAI-SFHVURJKSA-N 451.280 3.860 50 10 JHGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709395 BHKXARVYFCCIAA-QFIPXVFZSA-N 473.489 3.700 50 10 JHGE Cn1c(=O)n(C)c2cc([C@H](Br)[C@@H]3C[C@H]3Br)c(Br)cc21 1887726099 WSZRMLKXGFTYEU-SLOVDRIHSA-N 452.972 3.859 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2ccc(Br)cc2Br)[C@H]1Br 1911025753 JFTVTFUKZMYQCK-GHMZBOCLSA-N 455.972 3.882 50 10 JHGE COC(=O)Cc1cc(I)c(CBr)c(I)c1 2055330028 ZWOLIUPXWHGGPY-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE CC1(C)CCN(C(=O)c2ccc(I)c(O)c2)C[C@H]1CBr 2148649007 CNDFTEPFEYIJNG-LLVKDONJSA-N 452.130 3.880 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2163293176 ZTSSUYWQCCIGAJ-XPUUQOCRSA-N 457.131 3.705 50 10 JHGE CS(=O)(=O)CC1CC(O[C@@H](CI)c2cccc(Br)c2)C1 2207477519 HVQPPVVMGLBXNE-DBRPNBKGSA-N 473.170 3.765 50 10 JHGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@@H]1CCN(Cc2ccccc2)C1 2242039763 JUEUYIHGGFRPLY-YLJYHZDGSA-N 474.383 3.996 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1C[C@H](Br)C1 2263406001 ZCTDOIIMONDRSA-RBSFLKMASA-N 476.209 3.927 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2OCC[C@]2(CBr)C1 2296362791 ZSAPONKGRNHEGO-OCCSQVGLSA-N 467.983 3.838 50 10 JHGE COc1ccc(NC=C2C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)cc1OC 2297471585 IMWPCVJHSITACX-UHFFFAOYSA-N 456.502 3.932 50 10 JHGE C[C@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CCN1C(=O)OC(C)(C)C 2321815992 QTWZKXFHYQHZOT-YCRPNKLZSA-N 493.692 3.725 50 10 JHGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703110 VNXLHNRNOJHUCL-UHFFFAOYSA-N 481.549 3.883 50 10 JHGE C[C@H]1CCCN(C(=O)c2c(Br)c(Br)nn2C)[C@@H]1CCBr 2364012885 DWUJJBCSIPCNDD-DTWKUNHWSA-N 472.019 3.971 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Cl)CCC12CCC2 2364215972 XSKXLDTZPKQZKU-KRWDZBQOSA-N 453.004 3.799 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1Br 12573266 WXZBDGPDPPFTHV-UHFFFAOYSA-N 485.201 3.778 50 10 JHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1 13977076 CNQXUGRMFCNBRU-UHFFFAOYSA-N 478.412 3.770 50 10 JHGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 14022177 RITAQSSZYTYNCV-UHFFFAOYSA-N 499.633 3.703 50 10 JHGE COc1ccccc1/C=C\C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 33726079 ZQZQEWMZVZHPFC-SSZFMOIBSA-N 488.569 3.605 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Oc3ccc(Br)c4cccnc34)c2N)cc1 40793590 ZEINCKAHMWTIAH-UHFFFAOYSA-N 481.310 3.927 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 40877516 CBJHLSGJNUFQME-LDADJPATSA-N 462.458 3.505 50 10 JHGE COc1cc(/C=N/NC(=O)CSc2nnc(N)s2)ccc1OCc1cc(C)c(C)cc1C 40947132 SWLXELFTAUWUJJ-YSURURNPSA-N 471.608 3.876 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C)cc1 41015457 YLRDCIWMJBIDPE-LTGZKZEYSA-N 464.518 3.534 50 10 JHGE COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OC 59680185 YAKRJQBTSJTSFZ-LSHDLFTRSA-N 461.268 3.520 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 751072932 YLIHQRQVEBPALE-UHFFFAOYSA-N 457.487 3.706 50 10 JHGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)c1 1084082118 YAQQQYPUSOAQQG-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)NN=Cc2cccc(Br)c2)cc1 1084285937 ADMVTZTYJDUYOI-LJQANCHMSA-N 473.396 3.791 50 10 JHGE BrCCOCCOCc1ccc(I)c(Br)c1 1904371314 IYSFFXFWCYIDPS-UHFFFAOYSA-N 463.935 3.982 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Br 1924801463 MPCMDYUTWMWAJN-CRAIPNDOSA-N 497.455 3.572 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CCBr)C1CCCC1 2089698323 JQLSKPNWLPDYMF-IBGZPJMESA-N 485.444 3.716 50 10 JHGE O=C(NC[C@H](NS(=O)(=O)c1ccc(CCl)cc1)C(F)(F)F)OCc1ccccc1 2106301082 GMKOJIYNAPAMHU-INIZCTEOSA-N 450.866 3.561 50 10 JHGE O=C(Cc1ccccc1I)N[C@H](CBr)c1cscn1 2119045319 NDDIUSNQNPWQFZ-LLVKDONJSA-N 451.127 3.543 50 10 JHGE ClCc1ccc2ncnc(-n3cnc(I)c3I)c2c1 2119449017 HSCZGQJGIQQGRW-UHFFFAOYSA-N 496.477 3.764 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2CCO[C@]2(CBr)C1 2239905708 ZKTPSYVZMQAHPO-LKFCYVNXSA-N 467.983 3.838 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2OCC[C@@]2(CBr)C1 2296378399 RAQQERJUCQUSGH-TZMCWYRMSA-N 467.983 3.838 50 10 JHGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1 2296836431 YERYFJWUOUYCCD-GOSISDBHSA-N 456.365 3.930 50 10 JHGE Cn1nc(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)c1Cl 2303537654 HGACAGBOZZSVET-GFCCVEGCSA-N 479.600 3.936 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCN(Cc2ccccc2)C1 2305337745 ZJSOACQWEJSBHG-QFIPXVFZSA-N 469.673 3.602 50 10 JHGE BrC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CCO1 2306219906 RECKHWUWWACOKN-SNVBAGLBSA-N 474.962 3.649 50 10 JHGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNc1cc(C(=O)OC)ccc1C(=O)OC 2325072549 SUOJXBAGIOFIAE-INIZCTEOSA-N 465.506 3.664 50 10 JHGE CCOc1cc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OC 2325903322 YLLHQJWDVFLSHZ-LSDHHAIUSA-N 468.579 3.701 50 10 JHGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325903779 IJYZWNOVGXDYAB-UHFFFAOYSA-N 467.894 3.837 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2COC3(CCC3)CO2)CC1 2339359383 AIROWUVMIUNJPD-HNNXBMFYSA-N 481.371 3.546 50 10 JHGE COCCN1C[C@@H](Cl)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349839145 ZDLQEJQLBKAIPE-WCQYABFASA-N 458.565 3.782 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCC[C@@H](CCl)C1 2364195903 UXGSMESNSXRMPI-MSOLQXFVSA-N 455.020 3.808 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@H](CBr)OCC12CC2 2365593193 SPFCUVBHKCSCQX-JTQLQIEISA-N 470.532 3.713 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 13621108 MXDSGMYIDRZFHN-SAPNQHFASA-N 475.570 3.866 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 14661589 SLOAATZMJMVMAB-HNNXBMFYSA-N 487.350 3.856 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C(\C)c1ccc(OC)c(OC)c1 58989803 IWAGSDOVSAWJFG-NLRVBDNBSA-N 479.606 3.899 50 10 JHGE COc1ccccc1C(=O)N/N=C1\C=C/C(=N\NC(=O)c2ccccc2OC)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 230351192 PLLJYLMSSUNWJM-BRSWGEPESA-N 470.529 3.584 50 10 JHGE COc1cc(CBr)cc(I)c1I 306672484 ATOMQKRFDRZMEU-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE CC(=NNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 748140526 GMEFHODJHXEQOB-HSZRJFAPSA-N 455.580 3.532 50 10 JHGE CN(C)S(=O)(=O)c1cccc(C(=O)NN=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 918709359 FWIXFUPESGORPP-UHFFFAOYSA-N 482.509 3.843 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1C(F)(F)F)c1ccc2c3c(cccc13)CC2 1084225618 RAQJHMJFHVNMAM-UHFFFAOYSA-N 475.492 3.874 50 10 JHGE CCOC(=O)[C@@H](C)C(C)=NNC(=O)COc1c(C)cc(Br)cc1Br 1084396559 TZCHZGMCMCLYQD-JTQLQIEISA-N 464.154 3.590 50 10 JHGE COc1ccc(CCC(=O)NN=C2C(=O)N(C/C=C/c3ccccc3)c3ccccc32)c(O)c1 1084608481 KUFLQGQSMUZTFP-WRRQOEQFSA-N 455.514 3.914 50 10 JHGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccccc1 1084630224 ROZGSWUAGPESSZ-UHFFFAOYSA-N 486.937 3.978 50 10 JHGE C=CC[C@H](C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccccc1 1587900205 ZARYAFRCDXLFLV-QHCPKHFHSA-N 452.518 3.509 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2)cc(Br)c1OC 1772719613 DUMJUGNHAVIHGR-UHFFFAOYSA-N 472.133 3.758 50 10 JHGE CCOC(=O)Cc1cnc(CBr)c(OC(F)(F)F)c1I 1848387823 YNGLWAUBSSNIIH-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE O=C(Nc1ncccc1OCCCN1C(=O)c2ccccc2C1=O)Oc1ccc([N+](=O)[O-])cc1 1858692486 PPBXICQHHLPQJF-UHFFFAOYSA-N 462.418 3.666 50 10 JHGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)CCC(CCl)CCl)OCc1ccccc1 1959386541 PNLZTPOWYCARQN-UHFFFAOYSA-N 469.431 3.759 50 10 JHGE CCOC(=O)c1c(I)ccc(I)c1CBr 2055232608 YQQCHGRJHOFHAL-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE O=C(NC1(CCBr)CCSCC1)c1cc(I)sn1 2056497983 IIPWOZZCWANIGD-UHFFFAOYSA-N 461.188 3.528 50 10 JHGE CCN(C[C@](C)(CI)OC[C@H]1COC(C)(C)CO1)C(=O)OC(C)(C)C 2059309766 DUUDRIQOVJRWQG-KDOFPFPSSA-N 471.376 3.648 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc(F)c(NS(=O)(=O)N2CCC(Br)CC2)c1 2106306122 VWLDJZOEJYKLAQ-UHFFFAOYSA-N 452.346 3.689 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1cccc(Br)c1Br 2178907304 PIUKFUWVZXJRFV-ZJUUUORDSA-N 469.015 3.751 50 10 JHGE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1csc(N(C)C[C@H]2C[C@H]2Br)n1 2198793574 ZSJJUEDDBWLGTB-JHJVBQTASA-N 462.410 3.882 50 10 JHGE CO[C@@]1(CBr)CCCN(C(=O)c2cc(C)ccc2I)C1 2240910129 AHWCYHYJCZQCMK-OAHLLOKOSA-N 452.130 3.616 50 10 JHGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCC12CC(C(F)F)(CO1)C2 2247422555 NYPJBLMSEZDGDP-QQFBHYJXSA-N 461.287 3.536 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256020326 BKMQQTHNOJOXOZ-UHFFFAOYSA-N 469.482 3.886 50 10 JHGE CC(C)(C)OC(=O)NCc1cccc(Cl)c1NS(=O)(=O)N1CCC(Br)CC1 2284947108 BPZQPLGZBLSMGX-UHFFFAOYSA-N 482.828 3.881 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2COCC2(C)C)C1 2301193702 DNIYBMLJEJLOTO-KDOFPFPSSA-N 453.361 3.880 50 10 JHGE COC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(N4CCNCC4)cc3)o2)cc1 2313576008 LUHFNOVNSLKCCO-UHFFFAOYSA-N 456.502 3.688 50 10 JHGE CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14013972 LHGLIFPBSBPLHA-MRXNPFEDSA-N 455.736 3.795 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1Br 161202012 WCUXFFXPZWQBRV-SCZZXKLOSA-N 455.972 3.836 50 10 JHGE CCOC(=O)c1sc(NC(=O)N/N=C/c2cccc(OC)c2OC)c(C(=O)OCC)c1C 206169880 JBYJNWFPMVJZCF-SSDVNMTOSA-N 463.512 3.583 50 10 JHGE COc1ccc(C(=O)NN=c2oc3cc(OC)ccc3cc2C(=O)NCc2ccccc2)cc1 254616405 OOVMQXPQIMRFOX-UHFFFAOYSA-N 457.486 3.626 50 10 JHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1 254710734 GHNAUANALBGILM-UHFFFAOYSA-N 465.575 3.993 50 10 JHGE COc1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 263629330 VTVBPROMIOXDND-ILOYKCLFSA-N 487.516 3.591 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)c2scc(Br)c2Br)C1 705445666 ADYVOSTVIPAOQW-LLVKDONJSA-N 462.001 3.899 50 10 JHGE O=C(c1sccc1I)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 709779925 PZOWMGLWMFFISM-RNFRBKRXSA-N 468.076 3.998 50 10 JHGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 725423660 OFMVTDUSBFVSKR-HXUWFJFHSA-N 492.956 3.653 50 10 JHGE CC(=NNC(=O)[C@@H]1Cc2ccccc2O1)c1cc(Br)cc(Br)c1O 748142804 WDENHLRGAGJFQW-HNNXBMFYSA-N 454.118 3.761 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)N1CCc2ccccc21 761400089 GFFNEKKFXXXSFK-QZMYASAMSA-N 465.513 3.892 50 10 JHGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(=O)O)c2ccc(C)cc2)cc1 1083946186 XKVWAURYOWKDJU-UHFFFAOYSA-N 497.598 3.761 50 10 JHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(C)CC 1084167740 DVHHFPCMMOYRNH-UHFFFAOYSA-N 498.394 3.675 50 10 JHGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 1084387852 QBHDPUSFCRXWBW-UHFFFAOYSA-N 460.534 3.976 50 10 JHGE Nc1c([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cccc1[N+](=O)[O-] 1614633035 OXGMJWMKOHEWMN-ZBFHGGJFSA-N 481.290 3.964 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccc(F)c(CBr)c1 1924915870 UFNNQXNCUCPYGI-UHFFFAOYSA-N 483.359 3.929 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@@H]1CBr 1995285638 IVTPNRWRLDFJRM-MRVPVSSYSA-N 458.919 3.663 50 10 JHGE N#CCc1cc(CBr)c(I)cc1I 2060175046 WARFBUBLPBGCOC-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE O=[N+]([O-])c1cc(CBr)cc(I)c1I 2060232086 TVTPKXNVSQUBPY-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE CC1(C)C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)N(C(=O)OC(C)(C)C)C1 2162588303 DKCMNXOZXNFTDV-OAHLLOKOSA-N 461.422 3.895 50 10 JHGE C[C@]1(NS(=O)(=O)c2ccc(CCCl)cc2)CCCN(C(=O)OCc2ccccc2)C1 2162588759 JOFSBOXHAMKOIW-QFIPXVFZSA-N 450.988 3.938 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2179812940 QUNOFLCBXQIWSP-ROUUACIJSA-N 453.402 3.626 50 10 JHGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179829939 GLWIOSBZFWQOAO-NJDAHSKKSA-N 455.462 3.868 50 10 JHGE COc1ccc(CBr)cc1S(=O)(=O)N1CC[C@@H](COCc2ccccc2)C1 2179860359 QMFXGVBVZYSXLI-GOSISDBHSA-N 454.386 3.818 50 10 JHGE C[C@@]1(CCl)COCCN(C(=O)c2cc(I)ccc2Br)C1 2199827791 PBDXZNGVZOUYLE-AWEZNQCLSA-N 472.548 3.771 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H](CCCl)O1 2207261343 KXMPSHXUMXJNAT-GXSJLCMTSA-N 472.548 3.912 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)Cc1ccsc1Br 2218986798 BEKUZNYTSCNGOT-WCBMZHEXSA-N 466.204 3.780 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[C@@H]1Br 2221691395 ZRZQRMXWZFWDRF-VHDGCEQUSA-N 476.209 3.785 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCI)CC[C@H]1C(F)(F)F 2243590451 DZEFBMUBICYCGS-NEPJUHHUSA-N 450.283 3.979 50 10 JHGE CN(Cc1ccc(I)cc1)S(=O)(=O)c1occc1CBr 2280263650 ZFCDAJBFAQXOMC-UHFFFAOYSA-N 470.126 3.600 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc([S@](C)(=O)=NCCOCCI)cc1 2306802477 PKCGNSWVQGMADK-DEOSSOPVSA-N 468.357 3.942 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@]2(CCC[C@@H]2Br)C1 2364217943 WVCDBJSUNOXHOY-UGKGYDQZSA-N 497.455 3.812 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 12494014 ZXMKUXZZELRHIU-UHFFFAOYSA-N 462.344 3.582 50 10 JHGE CCOc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20616203 ZSZPVOIWNSGODK-NVRQOBBSSA-N 488.563 3.769 50 10 JHGE biogenic O=C(N/N=C/c1cccc(O)c1)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1 245298315 ZQIDKFGYKRDRFF-OOOXRFEASA-N 483.568 3.515 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)cc3O)n2-c2ccc(C)cc2)cc1 254749606 HMAORCPFQUMNNU-UHFFFAOYSA-N 489.557 3.905 50 10 JHGE C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 726282094 IFZINOOSEICDGH-GOSISDBHSA-N 465.598 3.946 50 10 JHGE C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccc(CSc3ccc(Cl)cc3)cc1)CS2 860794502 CUAARYUNTKGVLZ-XMSQKQJNSA-N 476.023 3.847 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCc2nnc3n2CCCCC3)c(-c2ccc(Cl)cc2)n1 914457531 GSZTVMCGTYSBMQ-CYVLTUHYSA-N 488.983 3.701 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 1084166945 BJHXFPUPGLHTPH-UHFFFAOYSA-N 479.558 3.606 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2cccc(Cl)c2Cl)nnc1-c1cccc([N+](=O)[O-])c1 1084221694 WKLGADREBSVSCZ-UHFFFAOYSA-N 494.364 3.897 50 10 JHGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@H]1CCc2c(Br)cccc21 1318220335 GEJNKPRXWDURRO-HNNXBMFYSA-N 453.134 3.843 50 10 JHGE CC(=O)c1cc(Br)ccc1OCC(=O)NNc1ncc(Br)cc1C 1451963422 BMIWUOYTMGKMET-UHFFFAOYSA-N 457.122 3.640 50 10 JHGE O=C(NC[C@@H](NC(=O)[C@@H](Br)C1CCCC1)C(F)(F)F)OCc1ccccc1 2001993605 QNCAANGMTNHPLQ-CABCVRRESA-N 451.283 3.914 50 10 JHGE N#CCc1cc(I)cc(CBr)c1I 2060169231 GPGQNNURECPCNN-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1cccc(CCBr)c1 2089706393 AKRJPRIDJGPYQC-UHFFFAOYSA-N 479.396 3.832 50 10 JHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2ccccc2CCl)C1 2140593759 BDKSJXXESOTIJC-NRFANRHFSA-N 494.057 3.825 50 10 JHGE CCN1CCC[C@H]([C@H](Br)c2cccc(C)c2I)S1(=O)=O 2145762363 UBGXEOUQLKXLPV-CHWSQXEVSA-N 472.186 3.850 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2ccc(CBr)cn2)C1 2179809885 ZIMNSBATSPVREE-IAGOWNOFSA-N 452.418 3.508 50 10 JHGE O=S(=O)(C1CCC(CBr)CC1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179829791 FASTZGANQJZNIX-FPGXKEGCSA-N 455.462 3.724 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201752014 TWGHCJJURMNQTQ-LKFCYVNXSA-N 467.983 3.980 50 10 JHGE COCCN(C[C@@H](C)Br)c1ncc(I)cc1Br 2250502150 ZSYDYYADCKTWIN-MRVPVSSYSA-N 477.966 3.685 50 10 JHGE BrC[C@@H]1CO[C@@H]2CN(Cc3cc(Br)ccc3Br)C[C@H]2O1 2279871253 QHOFZBBXSXUUFT-MRVWCRGKSA-N 469.999 3.575 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2OCC[C@@]2(CCl)C1 2296380795 NTXPQEVLXDVYII-TZMCWYRMSA-N 470.532 3.524 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@]1(CBr)CC12CCC2 2364230721 PXPCKGITWAVHLR-ZDUSSCGKSA-N 470.003 3.630 50 10 JHGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 14025861 LZGNMZOLRNXAAV-UHFFFAOYSA-N 490.516 3.985 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1Br 14647757 LZMXEKNWLWTHRM-UHFFFAOYSA-N 494.411 3.569 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 14832303 GWOSQYLGIJFDFM-LBPRGKRZSA-N 450.289 3.711 50 10 JHGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1NC12CC3CC(CC(C3)C1)C2 40755755 HTYYWKMCSRPKDF-UHFFFAOYSA-N 457.376 3.959 50 10 JHGE CCOc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC)c(OC)c2)cc1 40911846 PZUQRGHRANDCFN-WSDLNYQXSA-N 451.317 3.784 50 10 JHGE O=C(COc1ccccc1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59147820 PTGULRBEKVVYTK-VYIQYICTSA-N 478.346 3.938 50 10 JHGE CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 104746190 ZXUUVMCQMQJOJH-QHCPKHFHSA-N 492.482 3.989 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)c(O)c3)n2-c2ccccc2)cc1 254589269 LKFJOPYENSATSM-UHFFFAOYSA-N 475.530 3.597 50 10 JHGE COC(=O)[C@@H](CCBr)Oc1c(Br)cc([N+](=O)[O-])cc1Br 386903017 BIHJWMWMZLHCSA-SECBINFHSA-N 475.915 3.825 50 10 JHGE COCCN(CCBr)c1ncc(C(F)(F)F)cc1I 686114253 BAHQAIPMMKEZTK-UHFFFAOYSA-N 453.040 3.553 50 10 JHGE Cn1ncc(-n2c(CCCl)nc3cc(I)ccc32)c1Br 694199252 YREDDZYMGCUOIB-UHFFFAOYSA-N 465.520 3.907 50 10 JHGE CO[C@@](C)(CBr)CNC(=O)c1cc(Br)ccc1I 702491592 KRGBMSUCXHVXKT-LBPRGKRZSA-N 490.961 3.584 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)N1CCc2ccccc2C1 761396243 DNLXEQVGYXHJEV-RNLRLKOUSA-N 479.540 3.887 50 10 JHGE CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)N1CCN(c2ccccc2)CC1 1084042939 ZOHCTBXSZAZELH-XMHGGMMESA-N 498.377 3.647 50 10 JHGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084625318 HKUYGLFULKXOAR-UHFFFAOYSA-N 464.909 3.755 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)c2cc(C)c(CC)s2)nnc1-c1ccccc1F 1640706678 WAELFNBBIQOYOL-UHFFFAOYSA-N 459.572 3.756 50 10 JHGE CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc(SC#N)cc1 1866872703 ZNRCIYWODUODAM-LAUBAEHRSA-N 450.564 3.926 50 10 JHGE CCCOc1c(OC)cc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OC 1873795024 NYEKYRAFIZBPLC-YQCVNYCESA-N 469.604 3.589 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(Br)ccc2Br)[C@@H]1Br 1911026549 NUGMBUXXGAQSAV-MNOVXSKESA-N 455.972 3.882 50 10 JHGE CC(C)(C)OC(=O)N1CC(=NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 2033817565 SHGRTJUIONJJMU-UHFFFAOYSA-N 491.636 3.507 50 10 JHGE C[C@]1(NS(=O)(=O)c2ccc(CBr)cc2)CCN(C(=O)OCc2ccccc2)C1 2044407326 VUJPIDSZOPBJGT-FQEVSTJZSA-N 467.385 3.661 50 10 JHGE O=S(=O)(C[C@H](Br)c1ccc(I)c(Cl)c1)N1CCCC1 2089389057 KORHCSJCOCHJLS-JTQLQIEISA-N 478.577 3.806 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2106989203 QSQLPJJPXMAIPX-LMPOIIKSSA-N 456.324 3.569 50 10 JHGE CN(C1(CBr)CCCCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2113920496 DLWRUXXCROHDLN-UHFFFAOYSA-N 485.444 3.668 50 10 JHGE CN1CCC[C@@H]([C@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2142285271 NQSHTKRFPZHYAM-NWDGAFQWSA-N 478.577 3.758 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC2(C1)OCCC[C@H]2Cl 2159657513 IUYCOAACBSJDLC-GFCCVEGCSA-N 470.532 3.666 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)N2CCC(Br)CC2)CC[C@@H]1C(F)(F)F 2163051240 RBWYRYFWUGSAHT-QWHCGFSZSA-N 458.319 3.743 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[C@H]1Br 2221685052 ZRZQRMXWZFWDRF-YUELXQCFSA-N 476.209 3.785 50 10 JHGE COCCN(C[C@H](C)Br)S(=O)(=O)c1cc(Cl)c(Br)s1 2272401658 HHVAJZVUQJQKQZ-ZETCQYMHSA-N 455.621 3.585 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CCC(Br)CC2)C[C@H]1C(F)(F)F 2279227812 KSYVNKYDZPSWJE-STQMWFEESA-N 458.319 3.886 50 10 JHGE O=C(Nc1c(Br)cc(Br)cc1C(=O)O)N[C@H]1C[C@H](Br)C1 2295256447 LWFLBJMZMAOAGR-KBTIHESUSA-N 470.943 3.957 50 10 JHGE C[C@H](NC(=O)C(C#N)=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCCC2 2325118825 USVBCJDNUGHBKA-FQEVSTJZSA-N 472.589 3.697 50 10 JHGE COc1cc(Br)cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OC 2328824677 RDBNZQULHFWVEN-HNNXBMFYSA-N 472.380 3.856 50 10 JHGE NNC(=O)[C@@H]1C[C@@H]1CCCOc1c(Br)cc(Br)cc1Br 2362617632 RDGLHEPYHFSKHS-IONNQARKSA-N 470.987 3.759 50 10 JHGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1ccc(Cl)cc1I 2365587486 XZXHGBHSNSUXRE-KOLCDFICSA-N 472.548 3.865 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 13982232 DSPVVVHKFUGTNR-UHFFFAOYSA-N 452.923 3.542 50 10 JHGE CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1ccc(S(N)(=O)=O)cc1 20568334 UFJUHOIQLRUNQO-NRFANRHFSA-N 482.993 3.928 50 10 JHGE CCOc1ccc(N[C@H](C)C(=O)N/N=C/c2cc(Br)c(OC)cc2OC)cc1 27528124 QDAAKLKCYVKPQL-UMYHVIPVSA-N 450.333 3.816 50 10 JHGE CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2 39918980 SQYSUOPFNXLOBY-AREMUKBSSA-N 472.932 3.749 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814778 ZNXDKSJEJYPUEB-NLRVBDNBSA-N 465.441 3.863 50 10 JHGE CCCCCCOc1ccc(/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 214423946 RPOINKZDJZHSBP-ZHZULCJRSA-N 454.523 3.810 50 10 JHGE COC(=O)c1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 254625783 CMHDZOQDOWWCBJ-UHFFFAOYSA-N 486.553 3.723 50 10 JHGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 263631839 ZIEFAXSTEBMFNC-UHFFFAOYSA-N 457.515 3.873 50 10 JHGE FC(F)(F)Oc1c(CCl)cnc(I)c1I 396183353 RPHWHYVUEFSXJK-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE O=S(=O)(c1ccc(CCl)cc1Br)N1CC2(CN(Cc3ccccc3)C2)C1 706222987 OVKWPSFXJJQVGD-UHFFFAOYSA-N 455.805 3.694 50 10 JHGE C[C@H](Br)Cc1cn(-c2cc(Br)ccc2I)nn1 709372089 TYYCYHALSSWFIK-ZETCQYMHSA-N 470.934 3.960 50 10 JHGE O=C(c1ccc(F)cc1I)N1CCS[C@H](CCBr)C1 720041727 RDJCMZZREMESMO-SNVBAGLBSA-N 458.134 3.773 50 10 JHGE COc1ccc(O)c(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)c1 1084557501 IHJSFDJDAZRVRU-UHFFFAOYSA-N 488.573 3.836 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CC(NS(=O)(=O)c3ccc(CBr)cc3)C2)C1 1260510526 JEOWTBVSOHFMRB-UHFFFAOYSA-N 459.406 3.649 50 10 JHGE CC(=O)N[C@@H](C(=O)NNc1cccc(F)c1Br)c1cccc(Br)c1 1594535454 VKQIULMVTHBPNV-OAHLLOKOSA-N 459.113 3.671 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc([N+](=O)[O-])c1O 1772752613 WFDUWTAPDZGBKT-UHFFFAOYSA-N 480.315 3.898 50 10 JHGE CC(C)[C@H](C(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866976749 GWSFLOAXKVIQBX-MOPGFXCFSA-N 476.396 3.878 50 10 JHGE CN1CCC[C@H]([C@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2089531121 KPIVJKGPAYIZFZ-VXGBXAGGSA-N 478.577 3.805 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2Br)C[C@@H]1Br 2130824373 RAIBGASYOPOWGD-JFUSQASVSA-N 455.972 3.882 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CC2(CCC2)C1 2182753955 CTPRVNAUYQAZSH-UHFFFAOYSA-N 497.455 3.574 50 10 JHGE C[C@@H](CO[C@@H](CI)c1ccccc1Br)N1CCOCC1 2186733687 QCQXOEXMISXUFG-WFASDCNBSA-N 454.146 3.663 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)Cc1ccc(Br)cc1 2226102989 WTPFOGOHCDBHMG-GWCFXTLKSA-N 460.175 3.718 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2CCO[C@]2(CBr)C1 2231364113 WFJMKJMFPWAIPQ-JMCQJSRRSA-N 474.012 3.899 50 10 JHGE CC(C)[C@H](COc1ccc(B(O)O)c(C(F)(F)F)n1)N(Cc1ccccc1)C(=O)OC(C)(C)C 2240286563 DKQJWWQIEVUCEV-SFHVURJKSA-N 482.308 3.621 50 10 JHGE Cc1cc(C=C(C#N)C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c(C)n1CCC(C)C 2297356693 MAFOOWXAFXGGFI-UHFFFAOYSA-N 494.548 3.721 50 10 JHGE CC(C)[C@@](C)(CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825554 DDRHUSUUDPZSKQ-HXUWFJFHSA-N 473.433 3.572 50 10 JHGE Cc1nc2cc(C(=O)O)ccc2n1CCNC(=O)C(C#N)=Cc1ccc(Br)cc1 2329658735 NKLLWRWXCFKYCW-UHFFFAOYSA-N 453.296 3.529 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)c1ccsc1 2338844411 GBSAXWKHUIBIAG-SFHVURJKSA-N 499.452 3.960 50 10 JHGE CC[C@@H]1[C@H](CBr)CCN1C(=O)c1c(Br)c(Br)nn1C 2338864729 XQGDNLYOAVWZFS-JGVFFNPUSA-N 457.992 3.581 50 10 JHGE ClC[C@]12CCO[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349855860 TXONUVCCNXGLMB-KGLIPLIRSA-N 456.549 3.883 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2355843173 FIQRBHNPUVCLOZ-MXEMCNAFSA-N 455.462 3.866 50 10 JHGE Cn1cc(I)c(CN2C[C@@H](CBr)C[C@@H](C(C)(C)C)C2)n1 2367612205 VQEVQDFOESIYHR-VXGBXAGGSA-N 454.194 3.904 50 10 JHGE CC(=O)Nc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779645 VQCDTRHXSBLXHM-UHFFFAOYSA-N 475.126 3.554 50 10 JHGE COc1ccccc1Oc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40658699 IYWIKTSWFJPJKG-UHFFFAOYSA-N 460.790 3.504 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(Br)cc1 40877456 SNJUHUWPEUCNEY-MHWRWJLKSA-N 473.323 3.874 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(O)c(OCC)c2)cc1 58892950 GKQMOXYAIVWUSP-QRAWFLTRSA-N 465.344 3.916 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1 217178509 FZRLCHUNYBKKFV-PEZBUJJGSA-N 479.389 3.654 50 10 JHGE COc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)/C=C/c1ccccc1 254682574 IHNVJSYRANVWGA-ATHCGQTHSA-N 475.457 3.751 50 10 JHGE CN(C)C[C@H](Br)CN(C)C(=O)c1cc(Br)sc1Br 690259211 MRWBNGCMGCYDCU-ZETCQYMHSA-N 463.033 3.670 50 10 JHGE NS(=O)(=O)c1ccc(-n2nc(-c3ccc(I)cc3)cc2CCl)cc1 1614817418 RAUVDSIIFBVJBV-UHFFFAOYSA-N 473.723 3.530 50 10 JHGE CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(F)c3)sc2c1 1866131475 XAAXMLKUSHKKQD-OVCLIPMQSA-N 458.540 3.915 50 10 JHGE O=C(N[C@H](CC[S@](=O)C[C@@H]1C[C@H]1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893118495 IKWSSANVRHZZSS-MSEMVBDXSA-N 461.967 3.744 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](OCCCl)C1 2109045724 GCJQYXYMLCBEQD-SNVBAGLBSA-N 458.521 3.524 50 10 JHGE F[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@@H]1CBr 2120610042 LGYAMHHIHMOPET-POYBYMJQSA-N 453.015 3.874 50 10 JHGE Clc1cc(CN2C[C@H]3COC[C@@H](C2)[C@@H]3Br)ccc1I 2142945846 XYJURIXFPBUVHB-YABSGUDNSA-N 456.549 3.786 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2149542613 YAPUJLZCRUKEAU-OUAUKWLOSA-N 488.039 3.863 50 10 JHGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1F 2179789845 WPPMUUSKQKDBOE-SFHVURJKSA-N 455.393 3.863 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)N2CCC(Br)CC2)[C@H](C(F)(F)F)C1 2280941362 BZGVNJPUMUZRDT-STQMWFEESA-N 458.319 3.886 50 10 JHGE O=C(NCC1(CBr)CCOCC1)c1ccc(Cl)c(I)c1 2283670085 RGXIFAFQEYQLHM-UHFFFAOYSA-N 472.548 3.866 50 10 JHGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1cccc(O)c1 2296882442 VJLTUDLKZYACEH-UHFFFAOYSA-N 475.617 3.677 50 10 JHGE CN(Cc1ccc(I)c(Br)c1)[C@H]1COC[C@H]1Br 2306220927 BEDYTBZNELXLTN-PWSUYJOCSA-N 474.962 3.648 50 10 JHGE CCC[C@H](Br)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826528 ZCUJESUDGBEYDN-INIZCTEOSA-N 473.433 3.716 50 10 JHGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1CCN(c2ccccc2F)CC1 2325409424 OKNHTKMATMDFIQ-UHFFFAOYSA-N 490.320 3.907 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCC[C@H](CBr)C1 2338836345 KVWXJZHQGWYJFL-IRXDYDNUSA-N 485.444 3.716 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1(CBr)CCCC1 2338851190 XQTZAPPRKLMRJL-UHFFFAOYSA-N 485.444 3.718 50 10 JHGE CC(C)(C)[C@@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338851481 ZBESWLOZIMQTBZ-INIZCTEOSA-N 487.460 3.820 50 10 JHGE CN(CC[C@@H](Br)c1cccs1)c1ncnc(O)c1I 2340488843 JEMPANBVTWWTHZ-MRVPVSSYSA-N 454.131 3.811 50 10 JHGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OCC)c1 958034 DBQGCNDRLKBBJR-ZLKNRPIFSA-N 490.512 3.782 50 10 JHGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 10295868 LZUJRENVIDKLPA-INIZCTEOSA-N 470.595 3.798 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 13976624 WXXSJVGHJCVEBF-CXUHLZMHSA-N 480.590 3.563 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1Br 14770408 ZLHZDBBOCMBFLA-UHFFFAOYSA-N 456.134 3.994 50 10 JHGE COC(=O)c1cc(Br)ccc1-c1ccc(/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)o1 33333134 MWCHWAIZFIPRAB-OQLLNIDSSA-N 455.264 3.718 50 10 JHGE O=C(NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658098 IFWIUGFPVGCUJR-UHFFFAOYSA-N 475.215 3.605 50 10 JHGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 100154491 GRHROSGAKRHFPW-UHFFFAOYSA-N 458.540 3.893 50 10 JHGE O=[N+]([O-])c1ccc(O)c(/C=N\CCSSCC/N=C\c2cc([N+](=O)[O-])ccc2O)c1 102655731 ILORXTICBAGNCW-YZLQMOBTSA-N 450.498 3.834 50 10 JHGE CCc1ccc(C(=O)NNC(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)cc1 109706358 AVIIQAXXLXAZKC-UHFFFAOYSA-N 454.328 3.544 50 10 JHGE COc1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(OC)c1 254349459 PYUMGXOQBRKDNG-BXDCRWNASA-N 472.545 3.691 50 10 JHGE CCOc1ccc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(OCC)c(OC)c2)cc1OC 254442835 OIJHNBFTXKWSON-UHFFFAOYSA-N 498.580 3.662 50 10 JHGE Cc1nc(-n2cnc(I)c2I)ccc1CCl 380855942 AKPIYKMCCIQKES-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2c(O)cccc2O)C1 382704142 DTHRBHJRSBGFFR-LSDHHAIUSA-N 453.276 3.885 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 398745821 SBCJVHRWPRBRJZ-SDDRHHMPSA-N 450.114 3.632 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(-c2ccccc2)n1 725724580 BHNATVBRSAJWAS-JWGURIENSA-N 479.519 3.730 50 10 JHGE CC(C)N1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 727806727 AWYLENUIYADRJJ-HMMYKYKNSA-N 450.974 3.967 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c(C)n1-c1cccc(Cl)c1 729362523 CMEIYYMYOSZZBI-VNSJDZJPSA-N 482.028 3.713 50 10 JHGE CN(C)[C@@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 917937099 BYMUZUSHMJMGGH-LBKCIFGTSA-N 452.562 3.660 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)Cc2ccccc2Cl)cc1 920848482 DQJBOLVHFICYEH-CPNJWEJPSA-N 477.952 3.653 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 920853081 IAWLDAGDIZGVPP-SBGXLDQMSA-N 457.534 3.527 50 10 JHGE CCc1cc(C)cc(OCC(=O)NN=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 1084643332 DNKIKMVQWDAGSW-UHFFFAOYSA-N 477.517 3.890 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)cc1 1476341679 ZAEIHGZDPCGDKP-HNNXBMFYSA-N 455.902 3.657 50 10 JHGE C[C@@H](C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772227 VOLYWNQTPDBMNU-AWEZNQCLSA-N 452.580 3.657 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715226 ZSBNBFHTMXBZON-INIZCTEOSA-N 475.358 3.921 50 10 JHGE COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1S(C)(=O)=O 1866893062 YNWUYZHDZDLNNX-QFIPXVFZSA-N 495.582 3.782 50 10 JHGE BrC[C@@H]1CSCCN1c1ncc(I)cc1Br 1988532905 NGKFRMFNJJCQOV-MRVPVSSYSA-N 477.991 3.765 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CN(Cc2ccccc2)[C@@]2(CCOC2)C1 2010824879 BMTOIHDZPOPYIW-REWPJTCUSA-N 467.701 3.916 50 10 JHGE CSCC[C@H](Br)CCNC(=O)Cc1ccccc1I 2090378943 GZZLXNQKWRWLCV-GFCCVEGCSA-N 456.187 3.857 50 10 JHGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NC(=O)[C@@H](Br)C2CCCC2)CC1 2110715365 MQAYGDFVFQOZOO-AEVPMFBQSA-N 451.427 3.869 50 10 JHGE Clc1cc(CN2C[C@H]3COC[C@@H](C2)[C@H]3Br)ccc1I 2142945845 XYJURIXFPBUVHB-GNXNZQSNSA-N 456.549 3.786 50 10 JHGE CC(C)(C)[C@@H](CBr)CN1C(=O)C(=O)c2cc(I)ccc21 2146799903 DRLVQCWLHIHQRJ-VIFPVBQESA-N 450.114 3.878 50 10 JHGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1ccc(CBr)cn1 2179808685 LBOSNGLAYRYLPQ-SFHVURJKSA-N 452.418 3.650 50 10 JHGE C[C@@]1(CCl)COCCN(C(=O)c2ccc(Br)cc2I)C1 2207264725 JAABQPSOIHALEK-AWEZNQCLSA-N 472.548 3.771 50 10 JHGE O=S(=O)(C[C@@H](Br)c1ccc(Cl)c(I)c1)N1CCCC1 2268284423 QWXRAODPHNRBCQ-SNVBAGLBSA-N 478.577 3.806 50 10 JHGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2cncc(CBr)c2)C[C@@H](C)N1Cc1ccccc1 2283109450 HTUHLSCMXNLWFD-IXDOHACOSA-N 452.418 3.649 50 10 JHGE C=CCC1(CBr)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2287753422 RVVFRQFYRHQPFW-UHFFFAOYSA-N 497.455 3.836 50 10 JHGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)[C@@H]1COc2ccccc2O1 2293488672 LHPORFYYXYUEEX-NRFANRHFSA-N 497.301 3.951 50 10 JHGE CC(=CC(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(Br)cc1 2313504800 XONXJGRYDPAOCE-UHFFFAOYSA-N 451.136 3.989 50 10 JHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 2313619237 SWCAXEIBZNRIQY-UHFFFAOYSA-N 472.570 3.905 50 10 JHGE COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OCc1ccccc1 2322974917 QAODOYRGGNXGFJ-UHFFFAOYSA-N 450.407 3.855 50 10 JHGE O=C(C=Cc1ccc(Cl)cc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 2325889838 KCLLESYBWBXMAQ-UHFFFAOYSA-N 464.934 3.639 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@@H](CBr)C12CCC2 2379717862 KMQIUKZLVJPWIS-JGVFFNPUSA-N 470.003 3.629 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccncc1 8565479 IELNOJKEEBOGNA-UHFFFAOYSA-N 457.563 3.867 50 10 JHGE O=C(NC(=S)NNC(=O)c1ccccc1Cl)c1cccc(OCCc2ccccc2)c1 10333999 YWOKDVASMFUDBB-UHFFFAOYSA-N 453.951 3.911 50 10 JHGE Cc1ccc2c(c1Br)/C(=N/NC(=O)CCC(=O)Nc1cccc(Cl)c1C)C(=O)N2 12574670 SWVUAQHWLDKXRK-UHFFFAOYSA-N 477.746 3.911 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14007532 LAFPVZDPBPOAHF-JTQLQIEISA-N 462.127 3.750 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)CCC2CCCCC2)ccc1Br 14029303 QJWFDQLNXCGQLZ-UHFFFAOYSA-N 456.406 3.519 50 10 JHGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc1 40620009 RITPJCCTETWDNW-UHFFFAOYSA-N 467.442 3.972 50 10 JHGE CC1(C)CC(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])CC(C)(C)N1 40645217 OOIJGYPEPIALJU-UHFFFAOYSA-N 492.378 3.625 50 10 JHGE COc1cc([N+](=O)[O-])cc(C2=NN(C(C)=O)[C@H](c3cc(C)nc4ccccc34)O2)c1OC(C)=O 102619664 PIUAOHWXZGQYPB-QHCPKHFHSA-N 464.434 3.624 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 168205523 COWLYTCIGXVAED-IONNQARKSA-N 482.021 3.929 50 10 JHGE N#CSc1ccc(NC(=O)Nc2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)cc1 586718722 ZAWZDKICHALZNH-UHFFFAOYSA-N 459.535 3.656 50 10 JHGE O=C(NC[C@]1(CBr)CCCOC1)c1cc(Cl)ccc1I 700914550 WUYQXTPVRCTZPG-CQSZACIVSA-N 472.548 3.866 50 10 JHGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1084042838 SHTYAUSBDMPLIT-UHFFFAOYSA-N 486.204 3.582 50 10 JHGE CCOC(=O)Cc1cc(I)c(CBr)c(OC(F)(F)F)n1 1848387703 PCKNLSKQHKLUCB-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE Cc1ccc(C(=O)CCC(=O)NNC(=O)CCC(=O)c2ccc(Br)cc2)c(C)c1 1865760225 NEHBEQINWIOFER-UHFFFAOYSA-N 459.340 3.839 50 10 JHGE C[C@H](Br)[C@H]1C[C@@H]1NC(=O)c1ccc(Br)cc1I 2026219718 XTAGXZDBIKIPHO-OIVXANJASA-N 472.946 3.955 50 10 JHGE CCCN1CC[C@H]([C@H](Br)c2csc(I)c2)S1(=O)=O 2029065727 JPEYZDDDTFBOPO-MWLCHTKSSA-N 464.188 3.603 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2040609345 YWOYTPABFKGYEI-GEVIPFJHSA-N 459.985 3.507 50 10 JHGE COC[C@H](Br)CCNC(=O)c1ccc(Br)cc1I 2086147564 ONXPQOOGWISERL-SECBINFHSA-N 490.961 3.584 50 10 JHGE CCCN1CCC[C@H]([C@H](Br)c2sccc2I)S1(=O)=O 2089520701 XFPKLAWQYYRCLD-MNOVXSKESA-N 478.215 3.993 50 10 JHGE CCN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 2163052577 FPONUBDTZLQQKR-MRXNPFEDSA-N 461.422 3.992 50 10 JHGE O=S(=O)(c1sccc1Br)N1CC[C@](CBr)(C(F)(F)F)C1 2167690432 RRIWTAYWSHZJNN-SECBINFHSA-N 457.131 3.849 50 10 JHGE CCN1CCC[C@H]([C@H](Br)c2cc(C)ccc2I)S1(=O)=O 2240992290 WNRVORKKIDQBCE-ZIAGYGMSSA-N 472.186 3.850 50 10 JHGE O=C(NCC1(CBr)CC(F)(F)C1)c1csc(I)c1 2255486253 XTFMWPKPBHPNQM-UHFFFAOYSA-N 450.086 3.893 50 10 JHGE CCc1cnn(CCOC2(CI)CCN(C(=O)OC(C)(C)C)CC2)c1 2324095980 PFNJTARVQGCNAN-UHFFFAOYSA-N 463.360 3.667 50 10 JHGE Cn1nc(Br)c(Br)c1-c1nnc(CBr)n1C(C)(C)C 2338857780 JOINYXDPBFKYOS-UHFFFAOYSA-N 455.980 3.854 50 10 JHGE Clc1ccc(I)cc1CN1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2352413177 DOZXYTOXIJYXRA-JKOKRWQUSA-N 456.549 3.786 50 10 JHGE CCN(C[C@](C)(CBr)OC1C[C@@H](C)S(=O)(=O)[C@H](C)C1)C(=O)OC(C)(C)C 2352580295 QTCIZEPMTDIRBM-LBTNJELSSA-N 456.443 3.768 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)c(Br)c1 13977742 GRNKDBLTWCTPHR-UHFFFAOYSA-N 476.371 3.573 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 14019197 MHURBMDKFOSFBX-UHFFFAOYSA-N 484.144 3.616 50 10 JHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14037097 NNUGZKPJZWCWNB-GFCCVEGCSA-N 470.378 3.885 50 10 JHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 14041921 PYVDUVARRGERAC-UHFFFAOYSA-N 463.987 3.850 50 10 JHGE O=C(N/N=C/c1ccccc1O)C1[C@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1 20073482 YDBBEGWEPITZGB-JOQBJMIMSA-N 483.568 3.515 50 10 JHGE COc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2I)ccc1OC(C)C 33225063 WQWGJFYXQPCVLJ-UHFFFAOYSA-N 488.709 3.815 50 10 JHGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)ccc1Cl 34696630 YSDORLJYHUJOFK-XSVZSIDJSA-N 464.909 3.651 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38654681 FPDVRVKPBYCIIA-OAQYLSRUSA-N 458.386 3.940 50 10 JHGE C=CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccc(C)cc3)c3ccccc31)C(C#N)=C(N)O2 39919109 WKXKZELBVYLXPH-MUUNZHRXSA-N 464.525 3.570 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-] 40658524 JMHYIAIMSDLMQX-UHFFFAOYSA-N 471.477 3.884 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)c2cccc(Br)c2)c(Br)c1 100446259 RRGUEGXJFNXVMY-UHFFFAOYSA-N 456.134 3.614 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 102847347 INTATJBXVRAIQK-QINSGFPZSA-N 465.307 3.767 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](CCl)OC[C@@H]2C)cc1Br 155827389 JQKUWFXKJRVUFY-UWVGGRQHSA-N 461.603 3.537 50 10 JHGE CCc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C)S(C)(=O)=O 252633094 VZFMVYJBHSYOLZ-UHFFFAOYSA-N 470.570 3.712 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)c(O)c3)n2-c2ccc(C)cc2)cc1 254296698 JZSFFSKKXWASKH-UHFFFAOYSA-N 489.557 3.905 50 10 JHGE CO[C@]1(CCl)CCN(C(=O)c2cc(I)ccc2Br)C1 401602089 BPZMDQUNXLZLJU-ZDUSSCGKSA-N 458.521 3.524 50 10 JHGE C[C@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@H](CBr)O1 686112102 XGNJTHRJTSUJCD-CBAPKCEASA-N 465.051 3.694 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1c1ncc(C(F)(F)F)cc1I 686113085 MUOMFSGKEYGSPI-VXNVDRBHSA-N 465.051 3.694 50 10 JHGE Cn1ncc(Br)c1Cn1c(CCl)nc2cc(I)ccc21 693457279 CKCYTRRDSDECPP-UHFFFAOYSA-N 465.520 3.924 50 10 JHGE COc1cc(C(=O)NN=C2C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc(OC)c1OC 1083902013 KRFGZTGYNQDNTO-DXTOPRIQSA-N 471.513 3.907 50 10 JHGE COc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC 1084004196 PBOJSJCJGAJGNA-UHFFFAOYSA-N 464.474 3.754 50 10 JHGE COc1cc(C=NNC(=O)c2ccccc2I)cc(Br)c1O 1084333792 VULMNUYOYBIYDM-UHFFFAOYSA-N 475.080 3.532 50 10 JHGE C=C(C)[C@H](NC(=O)NNC(=O)c1ccc(OC)c(Br)c1)c1ccc(F)c(F)c1 1469853870 ONGVSVVJBFXOEX-KRWDZBQOSA-N 454.271 3.997 50 10 JHGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C[C@H](CBr)C2CC2)C1 1560114035 ATCZEMJRSJEAAB-IBGZPJMESA-N 453.421 3.892 50 10 JHGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1OC 1565517961 JVSXCTIZPFKLEW-UHFFFAOYSA-N 474.546 3.589 50 10 JHGE Cc1ccccc1-c1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962098 PNSNYUPOEHCHOI-GOTSBHOMSA-N 497.599 3.792 50 10 JHGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1ccc(CBr)c(Br)c1 1887891995 ATWRXWNYXONHMQ-MWLCHTKSSA-N 476.028 3.748 50 10 JHGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2123241651 MHFPDFLEDLZAQL-IBGZPJMESA-N 455.443 3.930 50 10 JHGE CN(C(=O)OC(C)(C)C)C1(C)CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 2163053893 RPQJZTMECKMCPH-UHFFFAOYSA-N 461.422 3.992 50 10 JHGE O=S(=O)(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1cscc1Br 2192575633 IKDGSKWJYFKZOX-RKDXNWHRSA-N 457.131 3.752 50 10 JHGE COC(=O)C[C@H](NC(=O)OC(C)(C)C)c1csc(N(C)C[C@H]2C[C@H](Br)C2)n1 2198614416 AAYQTGRAKSUXNF-AVGNSLFASA-N 462.410 3.882 50 10 JHGE O=C(c1c(F)cccc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2282786440 FSQYMUOZVQPKGX-FGZNQLEESA-N 456.068 3.909 50 10 JHGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2ccc(OCCN3CCOCC3)cc2)s1 2295670002 XHNYIHCXXDWKFZ-UHFFFAOYSA-N 483.590 3.744 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@H]1[C@@H]2CBr 2311862083 GGAGKTLXXOBVLU-SBMIAAHKSA-N 484.957 3.909 50 10 JHGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 2314476075 IHVGXQOGDNSYMT-JOCHJYFZSA-N 490.585 3.538 50 10 JHGE CC[C@H](Br)CCCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821014 AALSTRWIKFGWBW-INIZCTEOSA-N 473.433 3.716 50 10 JHGE O=C(NN=Cc1cc([N+](=O)[O-])c(O)cc1O)c1ccc2nc(-c3ccccc3Cl)[nH]c2c1 2323743338 OFBAJOSRJBJKRG-UHFFFAOYSA-N 451.826 3.967 50 10 JHGE C[C@@](NC[C@@H]1C[C@H]1Br)(C(=O)O)c1cc(Br)c(Br)s1 2325284353 OTDOKVDZXJVWJZ-CPZGKSPBSA-N 462.001 3.946 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CC[C@H](CBr)CC1 2338845645 SIYDQRXFDSARJK-QAQDUYKDSA-N 485.444 3.716 50 10 JHGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Cl)ccc1OC(C)=O 13977854 RZNKCFCFCVAKQJ-ZVBGSRNCSA-N 455.692 3.566 50 10 JHGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1 14651217 OEGCUOSPLHWRQA-UHFFFAOYSA-N 494.411 3.589 50 10 JHGE COc1cc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)ccc1O 19646071 PNNGBYYJOCYBKC-AUEPDCJTSA-N 466.544 3.608 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816006 QOEXUILCTJPCSR-OVVQPSECSA-N 461.474 3.805 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)cc1 58892619 KJGLRROEWLWATR-MTEVNVADSA-N 451.317 3.526 50 10 JHGE N#C/C(=C(/O)[C@@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1)c1nc(=O)c2ccccc2s1 101017925 MKGCDRKRORXHDE-JQSQVVPISA-N 451.891 3.934 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601512 SGVTUIXBJZMYBV-OVVQPSECSA-N 482.899 3.926 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 208219607 YDIJORGUJIVUFH-XLUQTGDFSA-N 498.992 3.608 50 10 JHGE COc1ccccc1CCN/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217254378 HUQBDUFTQDSCAG-SSZFMOIBSA-N 461.303 3.787 50 10 JHGE COc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OS(=O)(=O)c1ccccc1 252622354 NTNFIGIQXLFKNL-UHFFFAOYSA-N 489.347 3.989 50 10 JHGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1cccc2ccccc12 254526083 LSKJWQNQJRJXRB-UHFFFAOYSA-N 484.545 3.832 50 10 JHGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2Cl)c1C)S(C)(=O)=O 1084334357 MHPAMNXVZRYWKZ-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE CC(=O)N[C@H](C(=O)NNc1cccc(F)c1Br)c1cccc(Br)c1 1594535453 VKQIULMVTHBPNV-HNNXBMFYSA-N 459.113 3.671 50 10 JHGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2ccc(Br)s2)cc1)[C@H]1C[C@@H]1C 1671651969 CSEOVGRPASNROE-HZMBPMFUSA-N 451.346 3.738 50 10 JHGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1ccccc1C(F)(F)F 1860770949 CXQKBWAOQJSSAW-UHFFFAOYSA-N 472.448 3.605 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)Nc4ccc(Cl)cc4)c(=O)c23)C1 1860772451 YUXQQNCTBXEQDR-RYUDHWBXSA-N 459.959 3.650 50 10 JHGE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)cc1C(=O)OC(C)(C)C 1887522452 GVBOVYMHWPYPHZ-UHFFFAOYSA-N 473.334 3.991 50 10 JHGE CC1(C)CC[C@@H](Br)[C@H](CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1927037685 CMZUURSAGGUJTG-QFBILLFUSA-N 499.471 3.962 50 10 JHGE CC[C@H](CBr)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1954681950 PFGZTYGZDHVNSH-OAHLLOKOSA-N 452.434 3.759 50 10 JHGE O=C(N[C@H](CBr)C1CC1)c1ccc(Br)cc1I 2026218306 QKQUYKDHCXEMPN-LLVKDONJSA-N 472.946 3.957 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(Br)c(Br)s2)[C@H]1Br 2078738352 PTKAXGMDQRHEIU-HTRCEHHLSA-N 462.001 3.944 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CCBr)CC1 2093312612 XHPTUOAXGJELSX-INIZCTEOSA-N 485.444 3.526 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1c(Br)cccc1Br 2094087988 GIWTWELCFQHCGY-BDAKNGLRSA-N 455.972 3.836 50 10 JHGE C[C@H]1CN(C(=O)c2c(Br)cccc2Br)C[C@@H](CBr)O1 2094088862 PUFMZTAVTOAKJC-DTWKUNHWSA-N 455.972 3.836 50 10 JHGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1c(Br)cccc1Br 2101335970 VSLKVRRWMWEGOE-DTWKUNHWSA-N 455.972 3.741 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NC(=O)N2CCC(Br)CC2)C1(C)C 2162866941 CLOKHANCAWVZDJ-JGTBNHKDSA-N 466.442 3.757 50 10 JHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)C(C)(C)CC1 2163053965 SIAUZQNYKGLESO-UHFFFAOYSA-N 461.422 3.992 50 10 JHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCl)CCCCCCC1 2164485517 BBJZDUAWTOSECJ-HXUWFJFHSA-N 458.983 3.652 50 10 JHGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(Br)ccc1[N+](=O)[O-] 2201198044 INTWZAJBVOKBJZ-KWQFWETISA-N 455.090 3.937 50 10 JHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2coc3ccccc3c2=O)cc1 2297298851 KHMUMVIYSDIBGK-UHFFFAOYSA-N 467.481 3.723 50 10 JHGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1Br 2314579386 RKKBZVOPLXGDRQ-UHFFFAOYSA-N 457.240 3.655 50 10 JHGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CN1CCN(Cc2ccc3c(c2)OCO3)CC1 2325078882 PUZLECDIPPIINI-FQEVSTJZSA-N 476.577 3.525 50 10 JHGE Cc1cc(C)c(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(C)c1 2325176981 XOCLSBVROJTHPL-UHFFFAOYSA-N 488.997 3.744 50 10 JHGE CC1(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCC(Br)CC1 2338836909 NQDSFLQSDXBVFM-UHFFFAOYSA-N 485.444 3.859 50 10 JHGE N#CC1=C(N)N(c2ccccc2)/C(=C2/C(=O)NN(c3ccccc3)C2=O)S[C@H]1c1ccccc1 28617561 ZXEHRBVWEIZCRK-BZMGOTJRSA-N 465.538 3.965 50 10 JHGE CC/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OC(F)F)cc1 33681628 WGTWRDQNISDFJX-CLCOLTQESA-N 451.495 3.617 50 10 JHGE COc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])c(OC)c1 40619623 OCWKAQDJAHGXMV-UHFFFAOYSA-N 489.286 3.665 50 10 JHGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])c2n1 40626763 AEYFLNDZYZLJOG-UHFFFAOYSA-N 460.410 3.650 50 10 JHGE COc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1Br 100437466 DNDNQBCLMHACFW-UFWORHAWSA-N 458.106 3.698 50 10 JHGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1cc(C)sc1C 254482263 KOOHFKLZQXRTRK-UHFFFAOYSA-N 482.595 3.666 50 10 JHGE O=C(NCCN1CCC(Br)CC1)c1cc(Br)sc1Br 321141229 KSPMHCAUTFRCDP-UHFFFAOYSA-N 475.044 3.862 50 10 JHGE Nc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1O 382701243 OOVFXDCDJHYJQG-HZPDHXFCSA-N 452.292 3.762 50 10 JHGE CC(=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1C[C@H]1c1ccccc1Cl 920362017 HEMLGOXWZLGPNM-YADHBBJMSA-N 490.025 3.589 50 10 JHGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)ccc1O 1083934716 JRWONRYYTSSJCL-UHFFFAOYSA-N 481.574 3.753 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)c(OC)c1 1318308321 OENVVUVHYFPUPH-UHFFFAOYSA-N 452.486 3.508 50 10 JHGE C=CCNC(=S)NNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 1540371719 RRFWIOSANSVWCS-NTCAYCPXSA-N 453.549 3.817 50 10 JHGE Nc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1[N+](=O)[O-] 1614629421 IXJSSQFBTANXQE-HZPDHXFCSA-N 481.290 3.964 50 10 JHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745415 YREASYBXPDOPFU-UHFFFAOYSA-N 475.501 3.827 50 10 JHGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772750122 USLQSPNYHNBERF-UHFFFAOYSA-N 462.462 3.984 50 10 JHGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711996 NGRQLHKDQLSOQA-JOCHJYFZSA-N 489.488 3.731 50 10 JHGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865852204 OZDKNOODFGTYOY-QAPCUYQASA-N 496.633 3.767 50 10 JHGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2C(=O)O)cc1 1866213785 CNGWXRDGDONRES-GXDHUFHOSA-N 492.269 3.560 50 10 JHGE C[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1914348358 MUMRTOBFTQUMMW-QGZVFWFLSA-N 462.999 3.768 50 10 JHGE C[C@H]([C@H](Br)c1cccc(Br)c1Br)S(=O)(=O)N(C)C 2031483298 BRDWATSOTQUTQT-XCBNKYQSSA-N 464.017 3.928 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2csc(Br)c2Br)C1 2046668501 JTZDOUSXQWWTGN-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(CBr)cc1 2163053261 LWCHMYOXWOQMNK-PHZGNYQRSA-N 459.406 3.790 50 10 JHGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179863694 QEJSNIWEOUQXLJ-MSOLQXFVSA-N 453.377 3.676 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC2(CCC(Br)CC2)C1 2181089919 VZDOXOAPVSXVRH-UHFFFAOYSA-N 450.114 3.777 50 10 JHGE Cc1cc(I)ccc1NC(=O)CN(C)C[C@H]1C[C@@H](Br)C1 2196932604 ADSUSRJOHMNROD-TXEJJXNPSA-N 451.146 3.643 50 10 JHGE Cc1ccc(I)c(C(=O)NC[C@]2(CBr)CCCOC2)c1 2240926529 VOBFJHMLSUHZPU-OAHLLOKOSA-N 452.130 3.521 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)c1ccc(Cl)c(I)c1 2268357885 XSQXHAAEVRINON-CYBMUJFWSA-N 458.521 3.571 50 10 JHGE C[C@@H](CCCCCI)NC(=O)c1cc(Br)c(O)cc1O 2282980040 INQMCJXDONUTFX-VIFPVBQESA-N 456.118 3.974 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1CCOC[C@H]1CCBr 2295316897 FLWTZMJIJXHZLP-CYBMUJFWSA-N 469.999 3.767 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 2313892307 UTQXGGCJTXJCON-UHFFFAOYSA-N 462.369 3.505 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1Cc1ccc(Cl)c(I)c1 2337219254 QXMYEOQTPJPYDX-VXGBXAGGSA-N 457.581 3.844 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCCC[C@@H]1CBr 2338859468 BETQBIDDPNFGEZ-SFYZADRCSA-N 457.992 3.629 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](Br)[C@H]1C(C)(C)C 2364030326 YVNYZJFXQPLULB-XCBNKYQSSA-N 472.019 3.969 50 10 JHGE CCOc1cc(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 3025270 PUHNFDWRFAUILU-ZRLAZVNZSA-N 480.502 3.682 50 10 JHGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)Cn1ccc2ccccc21 9696636 YAUBUUZZKVUEGC-UHFFFAOYSA-N 471.138 3.937 50 10 JHGE Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c2ccccc21 10736847 ZRAFTMQMGKUWPL-UHFFFAOYSA-N 482.949 3.707 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)cc2)cc1Br 14041434 AZGSMKIONMAGEW-UHFFFAOYSA-N 464.385 3.886 50 10 JHGE CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 14042233 QVQNVEBSBZJYMZ-UHFFFAOYSA-N 494.411 3.686 50 10 JHGE COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(C(=O)CCCCCCl)CC1 22621014 UGDRBJSEGMPPIW-IBGZPJMESA-N 486.078 3.564 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC(=O)O 58895380 UHQFWKAMVFNECN-IEZSBWOXSA-N 484.549 3.640 50 10 JHGE Nc1nnc(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)s1 58990450 FRLNEBFRAMPPQD-ZVBGSRNCSA-N 478.397 3.704 50 10 JHGE C/C(=C/C#N)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)Nc3nccs3)cc2C1=O 207421132 IVZIQCTYHQBTMO-JYRVWZFOSA-N 457.471 3.671 50 10 JHGE CCN(/C=C(/C#N)C(=O)Nc1ccc(I)cc1C)CCc1ccncc1 217254112 MAPQYEHKJFUKMQ-VKAVYKQESA-N 460.319 3.905 50 10 JHGE O=C(Cn1cc([N+](=O)[O-])cn1)NN=Cc1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 252621446 MYSUJFBBHDRHSX-UHFFFAOYSA-N 481.875 3.646 50 10 JHGE COC(=O)c1cccc(-c2ccc(C=NNC(=O)[C@@H](NC(=O)Cc3cccs3)C(C)C)o2)c1 254846654 NXPJSLIOHFBCTA-QFIPXVFZSA-N 467.547 3.628 50 10 JHGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1 254867584 HTSUMKVORDNVQN-UHFFFAOYSA-N 474.521 3.669 50 10 JHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1cc(Cl)ccc1I 384726715 OQMVPUJSBLSMIJ-LLVKDONJSA-N 471.564 3.534 50 10 JHGE CC[Si](CC)(CC)O[C@@H]1CO[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 575232553 BFEHWXCZKFZQCB-ANULTFPQSA-N 469.563 3.584 50 10 JHGE CCc1cccc2c1OCC[C@@H]2NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 725758347 FYXAHXMBFMXTND-ATOQVSERSA-N 499.571 3.543 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 746182679 RIVFQECXOBFRLI-UHFFFAOYSA-N 459.252 3.678 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1C[C@H]1CCCO1 1087795378 ZMHQWXFSPJTVEL-HRRCHGLFSA-N 466.626 3.832 50 10 JHGE CCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 1772720490 MYMULWCZXLNPIQ-UHFFFAOYSA-N 470.957 3.526 50 10 JHGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCC(=O)N(CC)CC)c(OCC)c1 1865706991 LFIUYPKXEBZKBO-QHCPKHFHSA-N 481.597 3.720 50 10 JHGE O=C(NC1(CBr)CC1)c1ccc(Br)cc1I 1995285743 KESRNQJWRKZTSB-UHFFFAOYSA-N 458.919 3.711 50 10 JHGE C[C@@H](Br)[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)CCO1 2053851375 RNNUUMNYMUGPBV-HTRCEHHLSA-N 462.001 3.898 50 10 JHGE O=C=Nc1cc(I)c(I)cc1OC(F)(F)F 2060034996 ZBJYNHMEQZVRNH-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE N#CCc1cc(I)c(CBr)cc1I 2060170107 AGODHVZDMDPRPO-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H](Cl)C(F)(F)C1 2086144647 CETXUWWORWUFBU-SECBINFHSA-N 450.448 3.752 50 10 JHGE C[C@H](Cl)[C@H]1CN(C(=O)c2cc(I)ccc2Br)CCO1 2117535223 YFIXGEQKLAAPDA-QPUJVOFHSA-N 458.521 3.522 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179864606 FGSUITMSVHYDSD-ROUUACIJSA-N 453.402 3.992 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185295177 ZEZHWQBXLRYKKY-TVYUQYBPSA-N 467.983 3.979 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC[C@@]2(C[C@H](Cl)CO2)C1 2201782180 WMMFBGPGILCUNK-LKFCYVNXSA-N 470.532 3.666 50 10 JHGE CCn1c(SCC(=O)NN=CC=Cc2ccccc2OC)nnc1-c1ccc(OC)cc1 2297304497 FGIZJCDQDMNFBX-UHFFFAOYSA-N 451.552 3.890 50 10 JHGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 2314476299 MGLDNLOKTBHLIK-UHFFFAOYSA-N 487.585 3.533 50 10 JHGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2314741399 YRSMOGJSHLZZEB-UHFFFAOYSA-N 461.430 3.947 50 10 JHGE COc1cc(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)cc(OC)c1O 2323766513 IJKDFBLHBPKXRS-UHFFFAOYSA-N 459.462 3.566 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCC[C@H](OCCBr)C1 2365581732 IRWHATXIAUJARK-NSHDSACASA-N 472.548 3.961 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@](NCC2CC(Br)C2)(C(=O)O)C[C@@H]1C(F)(F)F 2377458073 PMVHAOUEBHNBEA-YRGDBFGRSA-N 459.303 3.535 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2Cl)cc1 12501697 KPKLWWAQMLBYGJ-UHFFFAOYSA-N 466.950 3.850 50 10 JHGE CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)COc1ccc(Br)cc1Br 12584159 DIOKSLYDGRKKPN-ZTPSMGMTSA-N 464.154 3.672 50 10 JHGE CC(C)(C)[C@@H]1CCc2nc(SCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c(C#N)cc2C1 20467859 IREYMUPQSUBQRP-QGZVFWFLSA-N 467.551 3.566 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 33959179 PGZGFUNCGPJKHY-ZVHZXABRSA-N 478.417 3.885 50 10 JHGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658063 XSJWPPBVSFMOES-UHFFFAOYSA-N 486.448 3.783 50 10 JHGE COc1cc(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc(Br)c1O 100437434 WZGTWSLVQGRZHE-LSHDLFTRSA-N 468.735 3.994 50 10 JHGE O=C(CCCCl)N[C@H](Cc1ccccc1)C(=O)N1CCN(C/C=C\c2ccccc2)CC1 205980785 BJPWAYSBSGBWDJ-MSMHZAPESA-N 454.014 3.591 50 10 JHGE COc1cccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 254310684 UITHTDIELCZPNE-UHFFFAOYSA-N 465.575 3.966 50 10 JHGE Cc1ccc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)c1C 254397638 ZRVHSYQTANDNHX-UHFFFAOYSA-N 480.546 3.866 50 10 JHGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 254741362 NZLOTEAHCVXNSF-UHFFFAOYSA-N 475.501 3.710 50 10 JHGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)cc3C)cc2)cc1 725420900 LEXXDVYKVZAGSV-UHFFFAOYSA-N 494.935 3.763 50 10 JHGE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F 726276498 AJIWYLJJJMWBDR-RHSMWYFYSA-N 466.957 3.970 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084003608 JJLWLRDFAUOACF-UHFFFAOYSA-N 485.949 3.692 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(F)c(Br)c2F)cc1 1626476859 CIHJLBNAVZJHLA-JTQLQIEISA-N 456.243 3.550 50 10 JHGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1F 1872752927 ZGYMHUUFCBBXFT-SDXDJHTJSA-N 480.433 3.955 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 1882323057 KAQAEUZLFLOAIP-ROUUACIJSA-N 455.646 3.940 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H]2CCC[C@H]1CC(Br)C2 1922764627 KODPLPMZHFPXGQ-RYUDHWBXSA-N 450.114 3.917 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2COC3(CCC3)C2)C1 2020647862 ZMLVVKUQYHVGHQ-RDTXWAMCSA-N 451.345 3.919 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H](Cl)C(F)(F)C1 2034603609 FRZHEDQTYJYURX-VIFPVBQESA-N 450.448 3.752 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2C[C@@H](n3cccn3)C2)C1 2063779524 CONKYJLNLFTMQA-DAYGRLMNSA-N 461.344 3.808 50 10 JHGE Cc1cc(Br)ccc1S(=O)(=O)N1CCC(CI)CC1 2141755504 IOUTYAKZSKPHFY-UHFFFAOYSA-N 458.159 3.593 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H](CCBr)O1 2179380539 HMHCHOKJFIEYSE-YUMQZZPRSA-N 467.632 3.727 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CCC2(CCOCC2)N(CCCCI)C1 2248246869 CMYHIPMJGKZKIU-HNNXBMFYSA-N 452.377 3.740 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2OCC[C@]2(CBr)C1 2278861834 KEUDLBYJCIKSBN-SKDRFNHKSA-N 474.012 3.899 50 10 JHGE CCc1cc(Br)ccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCCOC)cc1 2314789626 PWKSFDXVWNVLNO-UHFFFAOYSA-N 487.350 3.665 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364138847 ATOIDJPYCAYONQ-HTQZYQBOSA-N 470.003 3.581 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@@H](CCBr)CC1 2364229060 VDRTVNNRRNOGBM-VIFPVBQESA-N 472.019 3.972 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC2(CCC2)C[C@H]1CBr 2364230065 HSSPGYSGSZDBTG-QMMMGPOBSA-N 470.003 3.725 50 10 JHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Br)cc1 12485598 OGFCWDXVJIBZEJ-UHFFFAOYSA-N 489.153 3.701 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C(C)(C)C)c1 13623262 YISVYFCSKQNHSJ-FQEVSTJZSA-N 479.621 3.857 50 10 JHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 14039133 BZTHHKSOPZVOQC-INIZCTEOSA-N 451.548 3.730 50 10 JHGE Cc1cc(C)cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)c1 14668125 XEDVBMHZKVNCGK-UHFFFAOYSA-N 463.372 3.969 50 10 JHGE CCCCOc1ccc(OCC(=O)N/N=C/c2cccc(I)c2)cc1 20594799 MKXGCVDQPVAFRJ-FYJGNVAPSA-N 452.292 3.999 50 10 JHGE COc1ccc([C@@H]2[C@@H]3CN(CCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 34806565 KPJAPUKRHFPZCS-ZEQKJWHPSA-N 465.557 3.672 50 10 JHGE Cc1ccc(CNc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40650702 KOVFMTHRYYPHJD-UHFFFAOYSA-N 457.834 3.624 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812016 PPGJLFKVACIXIN-XHLNEMQHSA-N 490.535 3.866 50 10 JHGE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814582 WISVURXBBSLLOC-NHFJDJAPSA-N 460.490 3.826 50 10 JHGE Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822955 UVYNYIKKHSBVKN-WGOQTCKBSA-N 468.311 3.863 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1ccccc1Cl 41012405 SQONTOWZTHDEBL-OHKGMABOSA-N 452.894 3.733 50 10 JHGE CCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1[N+](=O)[O-] 169920310 ZFPJNTOATBOWJA-CFRMEGHHSA-N 454.870 3.621 50 10 JHGE CN1C(=O)C(=NNC(=O)COc2cc(Cl)ccc2Cl)c2cc(Br)ccc21 252620476 MEUTXKYBEQXYDC-UHFFFAOYSA-N 457.111 3.632 50 10 JHGE COc1cc(/C=C\C(=O)NN)cc(I)c1OCc1ccc(F)cc1Cl 1081475901 LLTZBKLQNDXZCO-DJWKRKHSSA-N 476.673 3.674 50 10 JHGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084193545 JBTBBXCNLXDJKL-UHFFFAOYSA-N 481.377 3.733 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1cc(Cl)cc(Cl)c1O)c1ccc2c3c(cccc13)CC2 1084370480 VOQYUZIZMUMYFJ-UHFFFAOYSA-N 492.384 3.867 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(C)c(Br)cc2F)cc1 1672466161 IPOOOZNEVOZFLR-LBPRGKRZSA-N 452.280 3.719 50 10 JHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743751 HFWXCWSJEGZWOM-UHFFFAOYSA-N 456.974 3.878 50 10 JHGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1865757705 QLJCQGGXFPAECA-FMIVXFBMSA-N 471.542 3.962 50 10 JHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(F)c2)sc(C(=O)OCCOC)c1C 1866131050 DUDIKKMNWKBHET-XNTDXEJSSA-N 460.483 3.721 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(Br)ccc2I)[C@@H]1Cl 1910986476 QYLAJWQEASTTFU-MNOVXSKESA-N 458.521 3.568 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(Br)cc(Br)c2)[C@@H]1Br 1911027407 SZFGWHFFKIJODC-MNOVXSKESA-N 455.972 3.882 50 10 JHGE CCN1CCC[C@H]([C@@H](Br)c2csc(I)c2)S1(=O)=O 2029069266 QIABCACGKKIHAG-KOLCDFICSA-N 464.188 3.603 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Br)CC12CCC2 2113570715 TVBDUFBVYVGZPR-INIZCTEOSA-N 483.428 3.565 50 10 JHGE CN1CCN(C(=O)c2csc(Br)c2Br)[C@@H](CCBr)C1 2138070114 VEGZWRATMNUFJF-QMMMGPOBSA-N 475.044 3.814 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CCBr)cc1 2179776068 QRPURDXWNOXRFY-GOSISDBHSA-N 451.430 3.909 50 10 JHGE O=C(O)CSc1nc2cc(I)ccc2n1C1CC(Br)C1 2183098155 GNLRNHIATMEFMT-UHFFFAOYSA-N 467.126 3.916 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185295175 ZEZHWQBXLRYKKY-JIMOISOXSA-N 467.983 3.979 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@@]2(C[C@@H](Cl)CO2)C1 2207266273 CCNCICZOOLIBKJ-QMTHXVAHSA-N 470.532 3.666 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Cl)c1ccc(Br)cc1I 2207267840 NTZCUQTUYITWFZ-NEPJUHHUSA-N 470.532 3.712 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[C@H]1Br 2221685047 ZRZQRMXWZFWDRF-CFVMTHIKSA-N 476.209 3.785 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccccc1C 2314795746 MHVKNZQAQTYRGS-UHFFFAOYSA-N 464.518 3.534 50 10 JHGE C[C@H]1[C@H](Br)C[C@@H](C)CN1C(=O)c1c(Br)c(Br)nn1C 2338670156 NBPLGPDDMAKBHM-GJMOJQLCSA-N 457.992 3.579 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CBr 2338842271 HFXNMDROZDWCAH-IRXDYDNUSA-N 485.444 3.526 50 10 JHGE C[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[C@H]1Br 2338851521 FOJHSTKYUPIWOG-TXPKVOOTSA-N 485.444 3.715 50 10 JHGE O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cccc(OC(=O)c2ccco2)c1 3085767 QXQCXBKJYXGMTA-UXHLAJHPSA-N 481.508 3.897 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)C1CCCCC1 12571862 QNAHKHAKNQSVRS-UHFFFAOYSA-N 464.385 3.583 50 10 JHGE CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14024425 ZXGOVMHGXXVWLF-GOSISDBHSA-N 457.324 3.986 50 10 JHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644433 JNYCWMIIHOFDQR-GFCCVEGCSA-N 482.762 3.926 50 10 JHGE CCCCCn1nc(C(=O)NNC(=O)c2cccc(OCc3cscn3)c2)c2ccccc2c1=O 17398121 UHJUIJHKCORPOA-UHFFFAOYSA-N 491.573 3.697 50 10 JHGE Cc1sc2nc(CS[C@H](C)C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)[nH]c(=O)c2c1C 17641277 PJWVAWCQTUKRKJ-CQSZACIVSA-N 472.636 3.982 50 10 JHGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-])c1cccc2ccccc12 40646188 NKDISQSNVMPLIT-UHFFFAOYSA-N 458.434 3.810 50 10 JHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601569 LQBFXRHAXBJLHW-ZXVVBBHZSA-N 494.935 3.552 50 10 JHGE O=C(ON=C1C=CC(=NNC(=O)c2cccc([N+](=O)[O-])c2Br)C=C1)c1ccccc1 108810342 WFBVQLIGYMCSKB-UHFFFAOYSA-N 469.251 3.782 50 10 JHGE O=C(CCc1nc2ccccc2nc1O)N/N=C\c1ccc(OC(=O)c2ccc(F)cc2)cc1 169887231 KEORTUYJFPVTEO-DICXZTSXSA-N 458.449 3.777 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H](CBr)O1 230046108 HKQZONYJUZJBBS-WCBMZHEXSA-N 455.972 3.836 50 10 JHGE Cc1ccc(CNC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 729344139 BOKQEWHSPWBBCC-KMUCBOENSA-N 467.529 3.927 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c1C 768745723 CFNBRRMSQVSLMB-BRLDDBHUSA-N 453.543 3.713 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccc(F)c(F)c1 1083952886 OGWVUYPXWBEOAR-UHFFFAOYSA-N 456.522 3.905 50 10 JHGE C#CCOc1cc(Br)c(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 1084526542 ATMSISSJZMKEHL-HXUWFJFHSA-N 489.366 3.832 50 10 JHGE Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2Br)oc2c1C(=NNC(N)=O)CC(C)(C)C2 1772729227 DWUWMITXMWCIAR-UHFFFAOYSA-N 478.303 3.856 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751572 VDLXNYNNGMMTRN-UHFFFAOYSA-N 499.502 3.821 50 10 JHGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)c1ccc(I)cc1 1865845505 UAVQHPMWKLKYES-UHFFFAOYSA-N 477.327 3.722 50 10 JHGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1 1867077524 MOUXGWIVKGMQNR-CYBMUJFWSA-N 475.596 3.806 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)[C@H](F)C1 1910196536 DDUWWXAOMZJCFX-DTWKUNHWSA-N 476.909 3.611 50 10 JHGE O=C(NCCOCCCI)c1scc(Br)c1Br 1997678178 MWXNTPAWHJZJQS-UHFFFAOYSA-N 496.990 3.845 50 10 JHGE Brc1cc(I)cnc1N1CC2(C1)OCCC[C@H]2Br 2069536054 PDENZZUVLHMTLQ-SNVBAGLBSA-N 487.961 3.581 50 10 JHGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)C1 2115613286 ITUMNCNWJBYBQQ-HYZCUCDJSA-N 451.427 3.868 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N2CC(F)(F)C[C@@H]2CBr)c1Br 2159051127 IAANWARCAYKOIM-MRVPVSSYSA-N 453.168 3.921 50 10 JHGE C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1S(=O)(=O)c1ccc(CBr)cc1 2190181993 QSCXSNQGGRKHIR-CQSZACIVSA-N 461.422 3.990 50 10 JHGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 2296542758 KQVSGRCLFMIYTF-OAQYLSRUSA-N 458.518 3.560 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)C1(C(=O)O)CCC(C)(NC(=O)OCc2ccccc2)CC1 2321845758 NJLMOSZAGTYKFR-AMZMEHNNSA-N 453.377 3.784 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)cc1Br 13977013 HCPUXLAVGBKOKA-UHFFFAOYSA-N 456.365 3.789 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1 14030648 ZCSOKXFQJRBZKU-QGZVFWFLSA-N 457.596 3.949 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Br)cc1 33389439 SERLIDIGIRUVCX-KOXKPCSVSA-N 456.365 3.930 50 10 JHGE COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)C(C)(C)CCl 34834548 YDPYEYVUGWMSEX-UHFFFAOYSA-N 494.055 3.702 50 10 JHGE COC(=O)/C(C#N)=C\c1cccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 206744581 VZUDLWRLUXSLFS-PDGQHHTCSA-N 452.422 3.786 50 10 JHGE CC(=C/c1ccccc1)/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1ccc(O)c(O)c1O 254354019 ZYUQZWGXYUGUHJ-VJKKNYQSSA-N 457.486 3.671 50 10 JHGE CC(=NNC(=O)c1ccccc1Br)c1ccc(S(=O)(=O)N2CCCCC2)cc1 916246794 QNAGWQPNFKMIIB-UHFFFAOYSA-N 464.385 3.778 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccc(OC)cc1OC 1084176604 IUFGFBNWSQQOGD-UHFFFAOYSA-N 465.579 3.509 50 10 JHGE CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NNC(=O)c1ccc(Br)cc1 1321617422 CPLCCFCXVSHGII-ZDUSSCGKSA-N 485.425 3.575 50 10 JHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(C)cc2O)cc1OC 1565517984 PGABLEZWNBPXOY-AVRXXWGGSA-N 459.502 3.639 50 10 JHGE CCOC(=O)c1c(I)ncc(CBr)c1OC(F)(F)F 1848387507 ALRISPOTGNYCFR-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)CCC(=O)c2ccc(C)cc2C)CC1=O 1865760237 NSMIMBOADUTZPD-OAQYLSRUSA-N 463.578 3.592 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CC(I)C1 1904390657 ZYNCMWBAYWEYQP-UHFFFAOYSA-N 450.921 3.533 50 10 JHGE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(Br)n1C 1915168932 CCKWRILMYPSINP-HNNXBMFYSA-N 491.249 3.855 50 10 JHGE CCN1CCC[C@H]([C@@H](Br)c2sccc2I)S1(=O)=O 2029061558 BJOCUVPTTLSNAW-NXEZZACHSA-N 464.188 3.603 50 10 JHGE CC(N)=C(C#N)C(=O)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 2040419682 JHORTLDKCCYHBW-UHFFFAOYSA-N 463.954 3.736 50 10 JHGE O=C(NCC[C@H]1COC[C@H]1Br)c1cc(Br)sc1Br 2048658496 GVOAWLZXXBPUMW-POYBYMJQSA-N 462.001 3.803 50 10 JHGE C[C@@H](Br)C[C@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089708292 XWEMYCHEJFUVLM-IAGOWNOFSA-N 485.444 3.811 50 10 JHGE O=C(N[C@H](CCBr)C(F)(F)F)c1cc(I)ccc1F 2113354613 ZSAXRAXSIQTHFF-SECBINFHSA-N 453.999 3.876 50 10 JHGE O=C(c1csc(I)c1)N1CCC(OCCCBr)CC1 2142523860 VXXSSUABYILUKQ-UHFFFAOYSA-N 458.159 3.759 50 10 JHGE C[C@H](CO[C@H](CI)c1cccc(Br)c1)N1CCOCC1 2186735457 WAXKYUVZUNPDHH-IUODEOHRSA-N 454.146 3.663 50 10 JHGE O=C(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1ccc(I)cc1 2192584063 WNWXUDWGRLWLST-ZYHUDNBSSA-N 462.047 3.985 50 10 JHGE C[C@H](NC(=O)c1cc(I)ccc1F)c1nnc(CBr)s1 2192615685 NITWCTHFEXMVSE-LURJTMIESA-N 470.105 3.668 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1 2313890597 RGUMXQXUTYEFHL-QGZVFWFLSA-N 455.580 3.713 50 10 JHGE Brc1cc(CN2C[C@H](Br)[C@H]3COC[C@@H]32)ccc1I 2325223095 WAVNMICXLRDGRT-CDMKHQONSA-N 486.973 3.648 50 10 JHGE Cc1ccc(C=CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 2330159287 QUQPWFHJHFYJET-UHFFFAOYSA-N 495.513 3.710 50 10 JHGE C[C@@]1(CNS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCC[C@@H]1Br 2338832887 GSLNCWAVQTVLNA-RXVVDRJESA-N 485.444 3.716 50 10 JHGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2ccc(Cl)cc2I)C1 2340051266 AHRNVMYZRMYOKZ-NWJBQHJCSA-N 476.476 3.813 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)C2(CCCC2)C1 2364206911 WPMWSJXUMHABTB-IBGZPJMESA-N 497.455 3.812 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1C 13979633 RMOPZCGXHCJKID-UHFFFAOYSA-N 482.762 3.664 50 10 JHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)c1 14641510 FQAQXUPDQWECTN-UHFFFAOYSA-N 463.559 3.857 50 10 JHGE Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1 14644187 NZAUZMFVVDMGBK-ZDUSSCGKSA-N 455.736 3.713 50 10 JHGE COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 33959280 UNSZMDJKLRHEAR-JFLMPSFJSA-N 494.500 3.713 50 10 JHGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccncc1 59158691 SQXVUOOZDGXAJA-PLRJNAJWSA-N 453.271 3.664 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1c(C)nn(C)c1C 59260942 MLFWMGVDMNWZGP-MZJWZYIUSA-N 488.621 3.822 50 10 JHGE C[C@H](NC(=O)/C(C#N)=C1/N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccccc1 102984996 UUOIKDIGKPZKIH-LSJZCYCUSA-N 465.469 3.897 50 10 JHGE CCOc1ccc(/C=N\NC(=O)c2ccc(Nc3nc4ccccc4c(=O)[nH]3)cc2)cc1OC 169927873 YISDISXIEPABSJ-YSMPRRRNSA-N 457.490 3.838 50 10 JHGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NNC(=O)c2cccs2)cc1 205964340 UJFPECSOXLIRPX-RCCKNPSSSA-N 462.531 3.725 50 10 JHGE Cn1ncc([C@@H](Cl)c2cc3c(cc2Br)OCCO3)c1I 381860207 DJRZQMFDTOJIPJ-LBPRGKRZSA-N 469.504 3.887 50 10 JHGE C[C@H](NC(=O)c1cc(Br)ccc1I)[C@@H](C)Br 386998933 LQKWBXMJUCSVSE-RQJHMYQMSA-N 460.935 3.955 50 10 JHGE FC(F)(F)c1cnc(N2CCOC[C@H]2CCBr)c(I)c1 686112421 ROCFVTBSCAIWGD-SECBINFHSA-N 465.051 3.695 50 10 JHGE C[C@@H](Br)C[C@@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703966358 FKRYIPKDPQLSSG-CVEARBPZSA-N 485.444 3.667 50 10 JHGE COc1cccc(N2CC[C@H](NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)C2)c1 728192114 CIJRMQYPMIPJOR-RNHBDSLOSA-N 466.545 3.774 50 10 JHGE C=C(C)[C@H](NC(=O)NNC(=O)c1cc(OC)ccc1Br)c1ccc(F)c(F)c1 1469853654 MCXHUMKIJKEKBH-KRWDZBQOSA-N 454.271 3.997 50 10 JHGE C=CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@H]1CCS(=O)(=O)C1 1528599675 CBDYDPMXFFBRSU-PSXBWXLBSA-N 457.983 3.856 50 10 JHGE CC(=O)N1Cc2ccc(NC(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)cc2C1 1630540788 PQDFANKQILVBMB-MTJSOVHGSA-N 450.502 3.872 50 10 JHGE C=CCC[C@@H](NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(C(F)(F)F)cc1 1633471966 YOKJSQYGBCUWOK-MRXNPFEDSA-N 452.389 3.971 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)c(=O)c2c1C 1860771623 BSJIQWCVCWDQFH-JLHYYAGUSA-N 488.569 3.515 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 1902959891 RELYHIZHSZUILT-FQEVSTJZSA-N 493.025 3.587 50 10 JHGE CCCCOc1ccc(C=CC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1OCC 2040443844 AJIUKVQGQJFUQJ-UHFFFAOYSA-N 450.539 3.554 50 10 JHGE O=C(c1sccc1I)N1CC[C@H](C(F)(F)CBr)C1 2077098721 AYQJRVIFVDTGLT-ZETCQYMHSA-N 450.086 3.845 50 10 JHGE CN(C)CCN(CCBr)C(=O)c1cc(Br)cc(Br)c1 2099354967 FNTOOANUJGLQPH-UHFFFAOYSA-N 457.004 3.610 50 10 JHGE O=C(NC[C@H]1CCC2(CCC2)[C@@H]1Br)c1cc(I)sn1 2120030683 DNVURONDZULLQL-LDYMZIIASA-N 455.159 3.821 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2I)C[C@H]1Cl 2142279618 SHWBGMSXCWGKSD-HLUHBDAQSA-N 458.521 3.568 50 10 JHGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1c(C)nn(CCBr)c1C 2179860500 SJMPIZIKHFIWII-UHFFFAOYSA-N 458.422 3.512 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179865711 WEIJORZLVXPRBW-YLJYHZDGSA-N 452.418 3.585 50 10 JHGE O=S(=O)(c1occc1CBr)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186714242 FBMJZJOMBUHBEK-HNNXBMFYSA-N 467.307 3.612 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2COC[C@@]2(CBr)C1 2234579698 KPISOPBSCBKLBI-IINYFYTJSA-N 467.983 3.695 50 10 JHGE ClCCc1nc2cncnc2n1-c1cc(I)ccc1Br 2235287835 RKVXGPIQESZDQA-UHFFFAOYSA-N 463.504 3.964 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@]23C[C@](C)(CO2)C3)C1 2247421819 HDNKZLFCCXPTMU-KURKYZTESA-N 451.345 3.777 50 10 JHGE C=CCC1(CBr)CCN(C(=O)c2cc(I)sn2)CC1 2272179855 RQXVVVVSFZGZGX-UHFFFAOYSA-N 455.159 3.941 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCC(CO)(CCl)CC1 2280191765 GHCDTNRDOGFWTK-UHFFFAOYSA-N 472.548 3.507 50 10 JHGE O=C(NN=Cc1cc2c(cc1Cl)OCO2)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295464463 CQZOQDGUKXRDKN-UHFFFAOYSA-N 491.887 3.719 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2296848720 YDIJORGUJIVUFH-IAGOWNOFSA-N 498.992 3.608 50 10 JHGE C[C@H](CCCBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825281 ROONZVDGXIGJEQ-MRXNPFEDSA-N 473.433 3.574 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2CCc3nccn32)C1 2326869448 LFKLBZZECRAISJ-KSSFIOAISA-N 461.344 3.592 50 10 JHGE C/C(=C(/C#N)P(=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N1CCOCC1)N1CCCC1 9613000 CFAARXFTKFYSGQ-ZBJSNUHESA-N 474.502 3.773 50 10 JHGE COC(=O)c1ccc([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 26642297 QFGBLJUIGBHRAS-DNQXCXABSA-N 493.523 3.535 50 10 JHGE C/C(=N/NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1cccc(-n2cnnn2)c1 97991538 XPJOQOFYHLHIQZ-PKAZHMFMSA-N 458.551 3.515 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@@H](CBr)O1 230051994 MCDDDLKIPJFIAF-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE Nc1cc(N)cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382732879 VKMGEVHMGOGXSX-YJBOKZPZSA-N 451.308 3.638 50 10 JHGE CCOc1ccc(NC(=S)NNC(=O)c2ccc(C)c(I)c2)cc1 728064545 FIQNHPWTXHTRDT-UHFFFAOYSA-N 455.321 3.630 50 10 JHGE O=C(NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1cccc(OC(F)F)c1 728598713 MNVFWYUDWZRBGA-SFHVURJKSA-N 478.883 3.744 50 10 JHGE C=CC[C@@]1(C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1634947172 ZBXOWQBGUIUEHJ-NRFANRHFSA-N 454.474 3.787 50 10 JHGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)c2ccccc2Br)c1 1680106293 QTENWQHQVIEEJT-UHFFFAOYSA-N 455.106 3.881 50 10 JHGE C[C@@H](Br)[C@H](NC(=O)c1ccc(F)cc1I)C(F)(F)F 1882650437 CBXNYZLYXBJFQV-ANLVUFKYSA-N 453.999 3.874 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@H](I)C1 1994515724 MPOSPZOYIPOQCH-SNVBAGLBSA-N 458.919 3.861 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CC[C@](C)(CI)O1)CO2 2005247388 WONKQUXKRMFENF-SJLPKXTDSA-N 451.345 3.919 50 10 JHGE CCCN1CC[C@@H]([C@H](Br)c2ccccc2I)S1(=O)=O 2089533622 AFSWNBSYXVRTHQ-QWHCGFSZSA-N 458.159 3.541 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCCl)Cc1cccs1 2114660464 XQTWHWAFGWUJCB-UHFFFAOYSA-N 455.001 3.585 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](OCCCl)C1 2142284489 DBGNUISXOGAVDZ-SNVBAGLBSA-N 458.521 3.524 50 10 JHGE O=C(NN=Cc1ccc(Br)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295829727 WUSYVNVFYYBGIW-UHFFFAOYSA-N 482.290 3.692 50 10 JHGE COc1ccc2c(c1)c(C=NNC(=O)[C@H](C)n1cnc3sc4c(c3c1=O)CC[C@H](C)C4)cn2C 2325903471 WWICOHUYYSLPQC-GJZGRUSLSA-N 477.590 3.794 50 10 JHGE C[C@]1(CNS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCC[C@@H]1Br 2338832885 GSLNCWAVQTVLNA-GHTZIAJQSA-N 485.444 3.716 50 10 JHGE C[C@@H]1CC[C@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338853007 UWTZIKNUCSOQPH-IAGOWNOFSA-N 485.444 3.668 50 10 JHGE O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2369432014 YNRSEOFQPMAPEV-OAHLLOKOSA-N 477.764 3.897 50 10 JHGE O=C(CCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1)N/N=C/c1ccc([N+](=O)[O-])s1 20808097 LNKDQMAAXKVZHV-AYKLPDECSA-N 480.528 3.567 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959215 RIKGOZXTDMASLT-JFLMPSFJSA-N 494.500 3.800 50 10 JHGE COc1ccc(C)cc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40583992 QCANVOAAXKHNGI-UHFFFAOYSA-N 473.287 3.965 50 10 JHGE O=C(NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40648740 BFDDEVBNOZNFLC-UHFFFAOYSA-N 463.332 3.812 50 10 JHGE COc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-] 59304542 QNTJUPORKQVOSF-DJKKODMXSA-N 465.203 3.718 50 10 JHGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3Cl)c(C)c21 101600922 IGOARSWVODSMHK-OVVQPSECSA-N 494.935 3.795 50 10 JHGE O=C(NC1(CBr)CCOCC1)c1ccc(Br)cc1Br 230746671 XAWBJPUFRFPMST-UHFFFAOYSA-N 455.972 3.886 50 10 JHGE Cc1cc(C)cc(N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)S(C)(=O)=O)c1 252617348 KQXOSMGDLRJCLO-UHFFFAOYSA-N 465.575 3.799 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@@H]2C[C@@H]3CCCC[C@@H]3O2)C1 379163904 YUUNYQKKPGGMSM-UVPYHEFZSA-N 451.345 3.774 50 10 JHGE CO[C@H]1C[C@H](CBr)N(c2ncc(C(F)(F)F)cc2I)C1 686111356 MKFIEPYGWCNWGR-BDAKNGLRSA-N 465.051 3.694 50 10 JHGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1083937783 JTIOGQLLWLCTRK-UHFFFAOYSA-N 475.486 3.933 50 10 JHGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC#N 1083962326 QSRZXKAMVLFPQM-XMHGGMMESA-N 450.926 3.897 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)cc1 1083984634 BJLQJNJUCHJCEF-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE COc1cc(/C=C\C(=O)NN)cc(I)c1OCc1ccc(Cl)cc1 1084418304 JBUXBJODMGBJGH-DAXSKMNVSA-N 458.683 3.535 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(Cl)c2Br)cc1 1671586540 GXWJHOZDLKLZGA-LLVKDONJSA-N 454.708 3.925 50 10 JHGE O=C(NC[C@@H]1C[C@H]1CBr)c1ccc(Br)cc1I 2026222166 VCSSGHOFFOLZCX-YUMQZZPRSA-N 472.946 3.815 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2cc(Br)ccc2Br)C1 2109026011 YRGGQNSLKXNQTK-ZJUUUORDSA-N 455.972 3.836 50 10 JHGE COC[C@](C)(CCBr)NS(=O)(=O)c1cc(Br)ccc1Br 2157978386 LXHWVSQKJDRIRB-LBPRGKRZSA-N 494.043 3.680 50 10 JHGE CC1(C)C[C@H](CBr)CN(C(=O)c2ccc(I)c(O)c2)C1 2172584662 FAKXYYUZOFULCR-SNVBAGLBSA-N 452.130 3.880 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](CBr)[C@@H](F)C2)cc1Br 2177127570 DXBPUGZKZXAELM-KWQFWETISA-N 494.018 3.874 50 10 JHGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179825386 GLWIOSBZFWQOAO-HBMCJLEFSA-N 455.462 3.868 50 10 JHGE O=C(NCCOCCCI)c1scc(Br)c1Cl 2246441010 LJEACIQPQPCSGU-UHFFFAOYSA-N 452.539 3.736 50 10 JHGE CN1CC[C@@](C)(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C1 2253330590 CUVRZYDCOJSBGX-QGZVFWFLSA-N 452.377 3.550 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCOC(C)(C)[C@@H]2CBr)c1 2282804769 CMXMIMLPFYDTQD-ZDUSSCGKSA-N 452.130 3.614 50 10 JHGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCCCS(=O)(=O)c1ccccc1 2303450356 SCUJACXOMZNKKQ-HNNXBMFYSA-N 450.354 3.690 50 10 JHGE COc1ccc(CCC(=O)NN=C2C(=O)N(CC=Cc3ccccc3)c3ccccc32)c(O)c1 2313648627 KUFLQGQSMUZTFP-UHFFFAOYSA-N 455.514 3.914 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Cl)CC12CCCC2 2364205926 OLLLGUOAEAFYRZ-KRWDZBQOSA-N 453.004 3.799 50 10 JHGE COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1CN1CCN(c2ccc(F)cc2)CC1 33621151 CUKAUZRHIVDSHV-RDRPBHBLSA-N 476.552 3.686 50 10 JHGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 34917403 JLSAHIRYTDOTOY-SXGWCWSVSA-N 488.569 3.605 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(F)c1 38677855 YJCLESDLVVOFBZ-QHCPKHFHSA-N 461.405 3.936 50 10 JHGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc1 40649902 BAKDCVADMCOGEN-UHFFFAOYSA-N 495.452 3.606 50 10 JHGE O=C(NNc1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-])c1ccccc1Br 40658380 VRGPEWWHUMLZEP-UHFFFAOYSA-N 461.251 3.655 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCC(=O)OC 101385742 SJTLYRINZLWUAF-NVNXTCNLSA-N 458.854 3.534 50 10 JHGE O=C(NNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1)c1cc(Br)c[nH]1 195600684 KKLHUSNBIOEEEN-IGNZVWTISA-N 493.789 3.665 50 10 JHGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 207145017 YVGTWKIFPHQDEL-CYVLTUHYSA-N 489.528 3.500 50 10 JHGE CC[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 233872068 MFZCPNIYEVFCIL-QMMMGPOBSA-N 460.935 3.957 50 10 JHGE O=C(Cl)c1ncc(I)c(OC(F)(F)F)c1I 396159600 QNQKSLNWRQANPQ-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 709789456 ZTSSUYWQCCIGAJ-HTRCEHHLSA-N 457.131 3.705 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)cc1 725411674 KJGLRROEWLWATR-QGZVFWFLSA-N 451.317 3.526 50 10 JHGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 1084457689 JMQVKWFXBIJQPU-UHFFFAOYSA-N 483.572 3.672 50 10 JHGE Cc1cc(C)n(Cc2cccc(C(=O)NN=Cc3cc(Br)cc([N+](=O)[O-])c3O)c2)n1 1084608264 WCVDFZZTZHHTIK-UHFFFAOYSA-N 472.299 3.688 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H](CCNS(=O)(=O)c2ccc(CBr)cc2)C1 1260512482 YMZAELPCNQMARR-MRXNPFEDSA-N 461.422 3.897 50 10 JHGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)c2cc(Br)cn2C)cc1 1463807447 SGAYIQJNJGKWLG-UHFFFAOYSA-N 455.312 3.809 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745208 TZMWEXCQZVTSHY-UHFFFAOYSA-N 472.545 3.726 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc(Cl)c1O 1865706898 IFRSICODLBUYLW-AWEZNQCLSA-N 463.803 3.872 50 10 JHGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712323 VPHYSPQEWHPOKE-QFIPXVFZSA-N 491.479 3.921 50 10 JHGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 1868278009 PESYSDBZTMVQSN-UHFFFAOYSA-N 466.592 3.566 50 10 JHGE Cc1nc(I)c(I)n1-c1ncccc1CCl 1936396880 JOISXFUNGCLQFU-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE C[C@@H](Br)CC(C)(C)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029213797 YTZJGJIMBLWJMT-OAHLLOKOSA-N 473.433 3.572 50 10 JHGE CSCC[C@@H](Br)CCNC(=O)c1ccc(I)c(O)c1 2090385326 PKBYLZFFVXKERZ-JTQLQIEISA-N 458.159 3.633 50 10 JHGE COC[C@@](C)(CCBr)NC(=O)c1cc(Cl)ccc1I 2101778778 ZMTOIYKIEVWFIE-CYBMUJFWSA-N 460.537 3.865 50 10 JHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2ccccc2CCl)C1 2140593760 BDKSJXXESOTIJC-OAQYLSRUSA-N 494.057 3.825 50 10 JHGE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163055202 FDASVMWEWFGADW-GOEBONIOSA-N 461.422 3.895 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)ccc1[N+](=O)[O-] 2185673468 ZVGPGGRRFNXJGI-UHFFFAOYSA-N 480.406 3.993 50 10 JHGE CC(C)(C)OC(=O)NC1CCN([C@@H]2CCN(CCCCCI)C2)CC1 2220216923 UCXPVABEQMWKME-QGZVFWFLSA-N 465.420 3.655 50 10 JHGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2256607165 ZPWMHPASLYNFEZ-XMMPIXPASA-N 492.768 3.522 50 10 JHGE C[C@](CBr)(NC(=O)c1c(F)cccc1I)C(F)(F)F 2267676151 XJAYEOLFRBHDTF-SNVBAGLBSA-N 453.999 3.876 50 10 JHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)ccc1B(O)O 2268641184 APZGKYHVQAKVFZ-HFJWLAOPSA-N 486.377 3.567 50 10 JHGE C=CCOC(=O)c1cc(-c2ccc(C=C3C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)ccc1Cl 2297311076 HTPFGHVUGZJXGF-UHFFFAOYSA-N 480.904 3.917 50 10 JHGE CC(C)N(C[C@@H]1CCCN(CCOCCI)C1)C(=O)OC(C)(C)C 2306804194 GHCHSKXUHKZFEG-MRXNPFEDSA-N 454.393 3.796 50 10 JHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1 10506099 RIBYISSSCUGSLQ-UHFFFAOYSA-N 453.351 3.537 50 10 JHGE CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CCCBr)n1 11855672 ZJXGRKSXBDQZSI-UHFFFAOYSA-N 450.362 3.921 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1Br 13980501 AEMMDAASNSCFFJ-ZDUSSCGKSA-N 464.385 3.677 50 10 JHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2C)cc1 14029061 SOOUENXORPDKGB-UHFFFAOYSA-N 457.596 3.977 50 10 JHGE CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 14042205 HDPCLYXYCFVAQM-UHFFFAOYSA-N 476.558 3.595 50 10 JHGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1I 14665738 VGBLJLVSLRWYST-CYBMUJFWSA-N 496.345 3.826 50 10 JHGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 33959050 VCIAONQSAXQQPF-MTDXEUNCSA-N 459.502 3.575 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38688124 NBRZXCFQOGIDRL-PKTZIBPZSA-N 471.425 3.558 50 10 JHGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1cccc2ncccc12 40784527 MAXZEECCDOFBTL-UHFFFAOYSA-N 450.300 3.870 50 10 JHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)CC1 40812545 JHDRNUBABAIKMF-NLRVBDNBSA-N 471.941 3.737 50 10 JHGE CCc1ccc2c(c1)/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)C(=O)N2 59372408 CHFXFTCAVUMUHC-UHFFFAOYSA-N 490.585 3.534 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@@H](C)C(=O)NNC(=O)C1CCC1 59877795 WIHNKVAYTPKJSV-INIZCTEOSA-N 464.595 3.658 50 10 JHGE C[C@@H](NC(=O)/C(C#N)=C1/N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccccc1 102985000 UUOIKDIGKPZKIH-PXFSWQRTSA-N 465.469 3.897 50 10 JHGE COc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-] 1084576279 QNTJUPORKQVOSF-UHFFFAOYSA-N 465.203 3.718 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)c1ccc(Br)s1)c1ccc(Br)cc1 1636561796 DNKNBVYBDSITBI-NSHDSACASA-N 457.147 3.592 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1858081969 VBGCNPQDIVRSCS-UHFFFAOYSA-N 460.339 3.964 50 10 JHGE COc1ccc(-c2nn(C)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865697324 ZSRXCNZEVDACIB-KRWDZBQOSA-N 453.296 3.782 50 10 JHGE COc1cc2nc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)nc(O)c2cc1OC 1872727751 XXTDQFLLLGQVDJ-NYYWCZLTSA-N 458.268 3.893 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC2C(F)(F)C2(F)F)CC1 1985876401 BKVITDLOJKAYAU-UHFFFAOYSA-N 453.214 3.861 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)C1)c1ccc(Br)cc1I 2026221951 RPGZAHQFHUTPNU-XWEPSHTISA-N 472.946 3.957 50 10 JHGE O=C(CCl)c1cc(I)c(I)c(OC(F)F)c1 2060187420 LFBQQGDSZBQXIW-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1(CCBr)CCCCC1 2089706417 ARWYZBVUYPMFRQ-UHFFFAOYSA-N 485.444 3.860 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2c(Br)cccc2Br)C1 2094089122 SSIFGNFMSHUYEJ-IUCAKERBSA-N 455.972 3.836 50 10 JHGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NCC2(CBr)CCCCC2)CC1 2106784011 FINVBEMYJUKBJZ-AREMUKBSSA-N 452.459 3.897 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2154107453 ZXZYFCTYDAPBCY-DMDPSCGWSA-N 450.114 3.917 50 10 JHGE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2162602449 OTWXDJXJISQOTD-GDBMZVCRSA-N 461.422 3.943 50 10 JHGE O=C(Cc1ccccc1I)N1CCC([C@H](F)CBr)CC1 2163247792 VQRFYNZKMUEUKT-CYBMUJFWSA-N 454.121 3.805 50 10 JHGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CCBr)cc1 2179774784 HOSXZNHKYOFNDT-UHFFFAOYSA-N 451.430 3.909 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179818461 ZYFFNNTUODRENJ-QZTJIDSGSA-N 453.402 3.626 50 10 JHGE O=S(=O)(N1CCC(CCBr)CC1)N(Cc1ccccc1)CC1CCOCC1 2179953134 WHALYQPHRJCMNF-UHFFFAOYSA-N 459.450 3.657 50 10 JHGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21)S(=O)(=O)c1c[nH]c(CBr)c1 2190546553 HMNLMAYYHFWBAN-LWCVALJOSA-N 453.402 3.914 50 10 JHGE CCOc1ccccc1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483056 VRTKPYFBVVHDSS-UHFFFAOYSA-N 457.486 3.735 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NS(=O)(=O)c1ccc(CBr)cc1 2354689450 MLQRJEYRHULUDM-OTRWWLKZSA-N 459.406 3.552 50 10 JHGE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)c1 2369465726 AKLUVDBOJFEDEC-CQSZACIVSA-N 477.764 3.897 50 10 JHGE COc1ccc(C(=O)N/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccccc2)cc1 3028103 DGUVFHKIOIRGJE-WCTVFOPTSA-N 457.486 3.626 50 10 JHGE biogenic COc1ccc(CC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 13977063 AQZLEJSYEVSSTF-UHFFFAOYSA-N 478.412 3.633 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041898 QZLJQTZDSAYFLB-UHFFFAOYSA-N 477.586 3.585 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1Br 14647779 DWROBQKPQMIRKL-UHFFFAOYSA-N 470.776 3.841 50 10 JHGE CCCOc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 20449274 QMOSMCRKWVWUGO-PZIWGWIQSA-N 468.579 3.531 50 10 JHGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNc4ccccc4)c(C)c32)cc1 40815227 SWDPWRCSFIKZHI-NCELDCMTSA-N 452.536 3.672 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C(\C)c1ccc(N)cc1 59260847 PRUKGNOLFYRIQY-CVKSISIWSA-N 470.002 3.944 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101332187 VLULQHBEXATWBM-YBFXNURJSA-N 469.457 3.678 50 10 JHGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(OC)cc2OC)NC(=O)c2ccccc2)ccc1O 252617003 KKHBSVDREUSBSG-KDZOYSRPSA-N 489.528 3.729 50 10 JHGE O=C(NNc1ccc(F)c(F)c1F)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 727759865 DRXQRQJWFFYZDR-UHFFFAOYSA-N 467.494 3.669 50 10 JHGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1C 1084420448 KWMDDQFUGCMLSG-FQEVSTJZSA-N 472.545 3.648 50 10 JHGE CCCN(CCC)S(=O)(=O)c1c(C)nn(CC(=O)NN=C2C[C@H]3CC[C@@]2(C)C3(C)C)c1C 1087238995 PRUNESBKILNBHI-WZONZLPQSA-N 465.664 3.629 50 10 JHGE Cc1cc(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)ccc1Br 1261049163 BBDOUBDSJMLHET-UHFFFAOYSA-N 485.491 3.942 50 10 JHGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCCOCCOCc1ccccc1 1881765609 WNPVXDXIWRVSCS-HXUWFJFHSA-N 493.382 3.955 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)C(=O)COc1ccc(Br)cc1Br 1887829835 OKQVCJWDVVKKHS-WCBMZHEXSA-N 455.972 3.832 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@@H]2[C@@H]1CBr 1905823774 RAFUVYLHPIHCBE-ARENWVFISA-N 474.012 3.616 50 10 JHGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1ccc(I)c(O)c1 1916353901 HEQTVUHOFBMDFO-OAHLLOKOSA-N 459.711 3.893 50 10 JHGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1ccc(Br)cc1Br 2101335774 CVJWJKCMBLAWEJ-SCZZXKLOSA-N 455.972 3.741 50 10 JHGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1cc(Br)ccc1Br 2101337390 MZRZEVWORDSPKS-SCZZXKLOSA-N 455.972 3.741 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCBr 2115851168 LUBLAMRVLKQDHX-IRXDYDNUSA-N 485.444 3.526 50 10 JHGE C[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)[C@@H]1CNC(=O)OC(C)(C)C 2163055786 KZGHDMFDNONFEG-RHSMWYFYSA-N 461.422 3.895 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178090250 GNZOPJAUNLNQIH-UISBYWKRSA-N 467.983 3.694 50 10 JHGE O=S(=O)(N[C@@H](CBr)C[C@H]1CCOC1)c1cc(Cl)c(Br)s1 2195485990 DGTVMZOKJJCQOP-HTQZYQBOSA-N 467.632 3.632 50 10 JHGE CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CBr)cc1 2240659013 ZOGGCNSWSXRASQ-INIZCTEOSA-N 461.422 3.992 50 10 JHGE C[C@H](Br)CN(C(C)(C)C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2259771956 YQPHTBWMUPRVBF-HNNXBMFYSA-N 473.433 3.667 50 10 JHGE C[C@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338844180 ZBNWJGXXEFIEEW-QFBILLFUSA-N 485.444 3.811 50 10 JHGE Clc1ccc(I)cc1CN1C[C@@H]2COC[C@]2(CBr)C1 2352431880 MERWWAULXQFYRV-RISCZKNCSA-N 456.549 3.788 50 10 JHGE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)c1 2369475011 AKLUVDBOJFEDEC-CQSZACIVSA-N 477.764 3.897 50 10 JHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 13978975 RREAZTOFVBUPQM-UHFFFAOYSA-N 464.385 3.705 50 10 JHGE CCc1ccc(O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 14039902 RIUZGDCNVIDDHN-ZDUSSCGKSA-N 452.338 3.889 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccccc1 14650295 AJDBFHFBWVCGDQ-UHFFFAOYSA-N 464.385 3.506 50 10 JHGE COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(C(=O)O)cc1 59158590 QTDJXNGNWTUFTO-MZJWZYIUSA-N 494.500 3.762 50 10 JHGE NNC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(CN2CCC(N3CCCCC3)CC2)c1 95931996 WKCLBSCJZUMMIR-UHFFFAOYSA-N 470.017 3.646 50 10 JHGE CC(C)[C@H](CI)NS(=O)(=O)c1cc(Cl)c(Br)s1 232749901 BZMUIJZYBPRIOK-ZETCQYMHSA-N 472.595 3.902 50 10 JHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3C)cc2)cc1 254699221 LUBLXXRPQWTQPG-UHFFFAOYSA-N 473.529 3.883 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1 726933065 CPMZEJKRRXXUNA-SFQUDFHCSA-N 463.925 3.942 50 10 JHGE O=C(CCc1nc(-c2cccs2)no1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727950612 GPZFPUTYNKHPAT-UHFFFAOYSA-N 466.494 3.910 50 10 JHGE O=C(CNc1ccc2c(c1)OCO2)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 1084536915 FUTLTNWSBTUOMA-UHFFFAOYSA-N 487.266 3.908 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(Br)cc1 1682356653 KXXIECPJCNRXKX-PXAZEXFGSA-N 450.720 3.575 50 10 JHGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865710652 DJQKLFOUIVYVEX-JOCHJYFZSA-N 450.470 3.623 50 10 JHGE C=C(Br)CN(C)S(=O)(=O)c1cc(CBr)ccc1Br 2059315410 ZOWBSELVUGQJBQ-UHFFFAOYSA-N 462.001 3.873 50 10 JHGE CSCC[C@@H](Br)CCNC(=O)c1cc(I)ccc1O 2090386198 XLQHINBRAAPNLE-VIFPVBQESA-N 458.159 3.633 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCOC[C@H](CBr)C1 2098238508 QPAUNIDDLPERKD-SECBINFHSA-N 455.972 3.695 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H](CCCl)O1 2179378152 ZTTYLUWCCVXQGK-GXSJLCMTSA-N 472.548 3.912 50 10 JHGE CO[C@@H]1[C@H](OC)CN(C(=O)c2cc(Br)c(Br)s2)[C@H]1CBr 2233356843 RBIILCAQQZTQSR-XKSSXDPKSA-N 492.027 3.522 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CCCl)COCc1ccccc1 2303699136 IAZJNPOSZWCYQC-GFCCVEGCSA-N 479.600 3.889 50 10 JHGE COc1ccc(CCN2C(=O)C(=CNc3cc([N+](=O)[O-])ccc3C)C(C)=C(C#N)C2=O)cc1OC 2314585721 PAXMOZDNOMSVPD-UHFFFAOYSA-N 476.489 3.668 50 10 JHGE C=CCOc1ccc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 2314616962 NZQWNESEEQXDNT-UHFFFAOYSA-N 458.470 3.781 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCC[C@@H](Br)C1 2338836771 NGXVFJTXIMJNAL-IAGOWNOFSA-N 485.444 3.716 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2354694418 SRRPUINATNYSSR-NDMJEZRESA-N 450.114 3.775 50 10 JHGE CO[C@@H]1CN(Cc2ccc(Cl)cc2I)[C@H](CBr)[C@H]1OC 2366714202 GTVJKDLHNXBFGY-MGPQQGTHSA-N 474.564 3.554 50 10 JHGE Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)c1 10737045 ABDLYVBACOXZRB-UHFFFAOYSA-N 476.558 3.671 50 10 JHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](CC)Oc2ccc(-c3ccccc3)cc2)cc1 14768953 OYYAFCHUPNIKNI-XMMPIXPASA-N 476.529 3.914 50 10 JHGE Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 28965790 MFQUJJCRICXLRD-UHFFFAOYSA-N 476.558 3.671 50 10 JHGE CCSS(=O)(=O)c1ccc(N2C(=O)CS/C2=N\C(=O)c2cc3ccccc3oc2=O)cc1 39916696 AUMUBIQBODBUQH-DQRAZIAOSA-N 488.568 3.511 50 10 JHGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1cccnc1 40659015 IMOKPBONUDYHCF-UHFFFAOYSA-N 482.254 3.640 50 10 JHGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 48572460 KKFLRWTWNNGWAO-LQKURTRISA-N 461.518 3.553 50 10 JHGE COc1cc(C=NNC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254385308 BUXWZCFIFIAVDR-UHFFFAOYSA-N 462.462 3.693 50 10 JHGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3cccc(C)c3)c3ccccc23)C1 263630859 NELKZWYQMGLVPR-OAQYLSRUSA-N 466.607 3.510 50 10 JHGE CCOc1ccc(OCC)c(NC(=S)NNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1 727492078 FTFHNEKTFCUYFF-OAQYLSRUSA-N 456.568 3.777 50 10 JHGE CCc1ccc(C(=O)N2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)cc1 914511805 CEIWADSENVCWSJ-PLRJNAJWSA-N 492.583 3.918 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)CCCc3ccccc3)c3ccccc32)cc1 1083890490 RCFDTVRFILSDNW-UHFFFAOYSA-N 454.530 3.824 50 10 JHGE O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 1084394860 ZZKUJOYMFLJEPQ-UHFFFAOYSA-N 490.900 3.733 50 10 JHGE CC(=O)N[C@H](C(=O)NNc1cc(Br)ccc1F)c1cccc(Br)c1 1472218155 UVXKGMOUUKRICP-HNNXBMFYSA-N 459.113 3.671 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)cc1 1660118049 FQXKUQWRFZBFDW-WMZOPIPTSA-N 453.543 3.592 50 10 JHGE CCCCN1C(=O)C(=NNC(=O)CCCNC(=O)c2ccccc2Br)c2ccccc21 1772719733 QKSFUPNGQRTGDI-UHFFFAOYSA-N 485.382 3.626 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4c(C)nc5ccccn45)c(=O)c23)cc1 1860772683 FYMZCQGQXIIMJN-KBKYJPHKSA-N 456.531 3.540 50 10 JHGE C[C@H](C(=O)NNC(=O)CCCSc1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1865852513 ZMGITIOXVQDWEM-OAHLLOKOSA-N 470.620 3.618 50 10 JHGE CC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1ccc(SC#N)cc1 1866621778 CXMYOEHEZJWFSL-GOSISDBHSA-N 463.519 3.578 50 10 JHGE O=S(=O)(N[C@@H](CBr)C[C@@H]1CCCO1)c1cc(Cl)c(Br)s1 1926748598 JWBSLZIIANAEIC-SFYZADRCSA-N 467.632 3.775 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CCOC[C@H](CBr)C1 2036957463 HOKKPWYSSJJKMC-SSDOTTSWSA-N 462.001 3.757 50 10 JHGE O=C(CBr)c1cc(I)c([N+](=O)[O-])c(OC(F)(F)F)c1 2055245018 BMLUGDADHJGKAJ-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N2C[C@H](Br)[C@H](Br)C2)c1Br 2075314159 RVCJMCBQKOCFEV-OCAPTIKFSA-N 482.057 3.659 50 10 JHGE CCCN1CC[C@H]([C@@H](Br)c2cccc(F)c2I)S1(=O)=O 2145767824 FIJZKFXPFOSGDB-NEPJUHHUSA-N 476.149 3.680 50 10 JHGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NCCCCCI)C1 2211183943 JWAPJBSUNJRMFX-ZUGFLLEASA-N 458.406 3.993 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H]2COC[C@]2(CBr)C1 2226167822 LZXJVCIWADCLCK-MADCSZMMSA-N 474.012 3.757 50 10 JHGE O=S1(=O)CC([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)C1 2260065189 HJFNXNMUQTZEBA-MRVPVSSYSA-N 468.939 3.970 50 10 JHGE C[C@@H](Br)[C@@H]1C[C@@H]1NC(=O)c1ccc(Br)cc1I 2297878670 XTAGXZDBIKIPHO-PUMQYWBSSA-N 472.946 3.955 50 10 JHGE Cc1cc(C=C(C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2313563405 CVSPHFIKVXRQKZ-ZCYQVOJMSA-N 494.511 3.698 50 10 JHGE COc1ccc(OC)c(C=CC(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)c1 2321073296 XZCRWBXZJLWAHJ-UHFFFAOYSA-N 453.445 3.827 50 10 JHGE COc1c(Br)cc(C=NNC(=O)Cc2ccccc2)c(OC)c1Br 2323330191 DAHWVVZYUPPPDY-UHFFFAOYSA-N 456.134 3.922 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2365584709 RYJHLNGFPYFLKL-ZEGGKSINSA-N 470.532 3.712 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 10283804 XFLBKBWACQQCBK-QGZVFWFLSA-N 457.596 3.949 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 12403542 WIJNUPFXCXCRBT-UHFFFAOYSA-N 478.412 3.770 50 10 JHGE Cc1cccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1C 14648980 RJXZAAQUVUCJCL-ZDUSSCGKSA-N 455.736 3.713 50 10 JHGE COc1ccc(/C(C#N)=C\c2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc2)cc1OC 31901003 SHGQBOGTVAAKDB-UYRXBGFRSA-N 468.465 3.970 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 33733249 CHTGGYKRDLGUFE-BJMRFWQKSA-N 460.328 3.760 50 10 JHGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1cccc(C(F)(F)F)c1 103032976 UUXZWCDMNROHEF-HGBKYHTQSA-N 461.465 3.886 50 10 JHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])s2)cc1OC 254739635 RMKXYXHYIFUAJS-FVTZTASISA-N 480.502 3.595 50 10 JHGE COc1ccc(C)cc1C1(CNC(=O)NNC(=O)c2cc(F)ccc2Br)CCOCC1 728750363 IAKORWBVXVAZIG-UHFFFAOYSA-N 494.361 3.598 50 10 JHGE CN(C)[C@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 917937101 BYMUZUSHMJMGGH-QXHVWWCLSA-N 452.562 3.660 50 10 JHGE C=CC(=O)N1CCC(C(=O)NNc2cc(OC)ccc2Br)(c2ccccc2)CC1 1642917005 NUJVGDGNMVQJGY-UHFFFAOYSA-N 458.356 3.647 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772748921 YXJGUAYUOSTXOF-UHFFFAOYSA-N 492.448 3.632 50 10 JHGE CCOC(=O)Cc1c(CBr)ncc(I)c1OC(F)(F)F 1848387761 SYZJUOCQZTYXCP-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCOc1cc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1OC 1860772629 CCZMSMCQSKNKCB-ZMFRSBBQSA-N 462.531 3.683 50 10 JHGE COc1ccc(-n2nncc2C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866926952 ZQNWFMSBWLDHQU-HSZRJFAPSA-N 498.568 3.829 50 10 JHGE O=C(NC[C@@H]1C[C@H]1Br)c1ccc(I)c(Br)c1 1897146749 AVKNXSTZOBHRBH-JGVFFNPUSA-N 458.919 3.567 50 10 JHGE C[C@@H](CBr)CS(=O)(=O)c1cc(I)ccc1Br 1900826922 UIITVJXRHRKTKB-ZETCQYMHSA-N 481.975 3.858 50 10 JHGE CCN(C[C@](C)(CI)O[C@H]1C[C@H](OC)[C@H](OC)C1)C(=O)OC(C)(C)C 2047614371 XOGRTDRZDJVPMO-AFIMGQEJSA-N 471.376 3.646 50 10 JHGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CCBr)cc2)CN1Cc1ccccc1 2179774999 IYYXOOZSMRSREH-FXAWDEMLSA-N 451.430 3.908 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCCOCCOCCOCc1ccccc1 2211319573 ISXRMWJUEMFICI-QFIPXVFZSA-N 490.435 3.931 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1[C@H]1CCC[C@H](CI)O1 2307437271 QPRIAWXWXJHSLZ-KFWWJZLASA-N 451.345 3.775 50 10 JHGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(C)=C(C#N)C1=O 2314618626 QQWWBMRNAQVIKG-UHFFFAOYSA-N 456.477 3.917 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)C)cc2)ccc1Br 10453158 WWWXTLHTEZIQOV-UHFFFAOYSA-N 464.385 3.595 50 10 JHGE COc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14006674 AARSMTXHIVCYCT-AWEZNQCLSA-N 473.323 3.605 50 10 JHGE CCOc1cc(/C=N/NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 33468061 MFAYWSPNEPIHKC-RQOMNJCFSA-N 485.540 3.593 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658069 CCYMXXAEQGGCLI-UHFFFAOYSA-N 463.332 3.812 50 10 JHGE CO[C@](C)(CBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 702514581 QKBCYDMNEAADMV-LLVKDONJSA-N 470.010 3.834 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)O[C@H](C)c2ccc(F)c(F)c2)cc1 918948943 FSDGLIDRYXYOHK-CLXYIWAZSA-N 480.471 3.924 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OC)c(I)c2)cc1 1084121982 MDZPTWPJKKOVME-GOSISDBHSA-N 482.318 3.662 50 10 JHGE O=C(NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21)c1cc(Br)ccc1O 1084468488 UZVILUWOFNCXDI-UHFFFAOYSA-N 480.318 3.714 50 10 JHGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccncc1)CCC2 1772746117 QZDCUBKEDKKLTF-UHFFFAOYSA-N 460.490 3.882 50 10 JHGE CCc1ccc(OCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852262 QMSUAEHTJDZXIY-DLBZAZTESA-N 496.633 3.713 50 10 JHGE C[C@H](CBr)CS(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 1882579127 MWMKLQDBCUYDOB-LJQANCHMSA-N 453.446 3.981 50 10 JHGE Cc1cccc(C(=O)N[C@H](CBr)C[C@@H]2CCCO2)c1I 1926742572 XNWRMYLCAGASQF-RYUDHWBXSA-N 452.130 3.662 50 10 JHGE Cc1nc(I)c(I)n1-c1cc(CCl)ccn1 1936389091 RIHSUISAMFAJNL-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE O=C(N[C@H](CCl)C(F)(F)F)c1cc(I)ccc1Br 2030004316 FKYYETGJEVLFFE-MRVPVSSYSA-N 456.427 3.953 50 10 JHGE CCCCCC[C@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(O)C4=C[C@@H]1CC[C@@H](O)CCC)C(=O)OC3=O 2080455662 LUABMRXJCSRHDW-QGCUYBMJSA-N 460.567 3.722 50 10 JHGE CC(C)(C)OC(=O)Nc1ncc(CNS(=O)(=O)c2ccc(CBr)cc2)s1 2106305038 LENCRKDUZJRGSU-UHFFFAOYSA-N 462.391 3.864 50 10 JHGE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(CBr)cc1 2163052658 GHFPHESLFPKEAO-PBHICJAKSA-N 461.422 3.848 50 10 JHGE O=C(c1sccc1I)N1CCOC2(CCC(Br)CC2)C1 2190047964 SAMXDAGOFBQTIE-UHFFFAOYSA-N 470.170 3.901 50 10 JHGE O=S(=O)(Cc1ccsc1Br)NCCCCCCI 2218986747 AKRIHKNBEAABFR-UHFFFAOYSA-N 466.204 3.925 50 10 JHGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)COc1ccc(Br)cc1C#N 2297708187 MFRXUTDEEOUSPS-UHFFFAOYSA-N 472.730 3.997 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H]2[C@H]1CBr 2312104000 HHNSEWOFUONTSV-NYRNMGCKSA-N 484.957 3.909 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@H]1[C@@H]2CBr 2335066667 ATPRDDOQLQUZKW-OASPWFOLSA-N 451.984 3.996 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1 12485574 XHKCJHCWVCNRMU-UHFFFAOYSA-N 482.334 3.850 50 10 JHGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1 14025608 DFMQXAXZBUYMKR-UHFFFAOYSA-N 468.373 3.951 50 10 JHGE N#Cc1cc2c(nc1SCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)CC[C@H](c1ccccc1)C2 20510064 ASCXNHBHYIPEII-KRWDZBQOSA-N 487.541 3.687 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 33959190 XLXLEVRYNMQOAC-CVKSISIWSA-N 493.472 3.994 50 10 JHGE CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1 59879734 OPAOUMDXYMNKHL-XIXVAHAYSA-N 471.546 3.796 50 10 JHGE CCOCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O 102684273 ZGKPXJVBBJDFQV-VKAVYKQESA-N 466.925 3.898 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cccc([N+](=O)[O-])c1 252625882 QRGZLYRCKYLXJV-QGZVFWFLSA-N 479.566 3.924 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1c(F)cccc1Cl)c1cccc(Cl)c1Cl 252637330 XRYWHDRLMTUQQQ-UHFFFAOYSA-N 452.722 3.702 50 10 JHGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)ccc2Cl)c1 252643527 ZVIXQRVUODKNCI-JNZIODRQSA-N 479.920 3.984 50 10 JHGE O=C(CCBr)c1ccc(I)cc1I 306911736 LJQROBNBDZSEJJ-UHFFFAOYSA-N 464.866 3.864 50 10 JHGE FC(F)(F)Oc1nc(I)c(CCl)cc1I 396187911 YAWBRCCGKWVMBW-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE CC[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721581400 XTWCMEKDUWDAMD-QMMMGPOBSA-N 460.935 3.957 50 10 JHGE O=C(NNC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)c1cccc2cccnc12 726191798 KIFIDKNOSBJSDX-UHFFFAOYSA-N 496.365 3.702 50 10 JHGE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F 726276499 AJIWYLJJJMWBDR-WMLDXEAASA-N 466.957 3.970 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)O[C@H](C)c2cccc(F)c2)cc1 918948861 DMWQLCHBSPSCKD-PUMYGXPMSA-N 462.481 3.785 50 10 JHGE CCOC(=O)COc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084259810 AGDDYIWTMYMRGL-UHFFFAOYSA-N 475.295 3.910 50 10 JHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)cc(Br)c1OC 1084428763 YCOQLDBOCBWVTD-UHFFFAOYSA-N 450.314 3.850 50 10 JHGE Cc1ccc(-c2cc(C(=O)NNC(=O)CCn3ncc(=O)c4ccccc43)c3ccccc3n2)cc1 1087866881 HOWQRYBZONBDEE-UHFFFAOYSA-N 477.524 3.771 50 10 JHGE C[C@H](NS(=O)(=O)c1ccc(CBr)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1260511947 VYCXZRWGBCVSDZ-AWEZNQCLSA-N 461.422 3.895 50 10 JHGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNc2cc(Cl)nc3c2c(C)nn3C)cc1 1658661384 NPULVKZVOBAMRU-UHFFFAOYSA-N 453.934 3.893 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772748070 XZDSKKQJLQWBRJ-UHFFFAOYSA-N 475.524 3.555 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)/C=C/c3ccco3)cc2)cc1 1859001047 KLPWEHYISUJPGH-KPKJPENVSA-N 496.570 3.735 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cscc1Br 2010828600 ISOFYMVYKVVXRN-UHFFFAOYSA-N 477.493 3.695 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201762463 HFAWLIHNVQWQPF-OTYXRUKQSA-N 470.532 3.713 50 10 JHGE CC(C)(C)[C@@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821041 ANPOKTFRWPPOND-KRWDZBQOSA-N 473.433 3.572 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@@H]1CCc2nccn21)C(=O)OC(C)(C)C 2326871565 PUIKIPZLOWWEEI-KBXCAEBGSA-N 463.360 3.838 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NS(=O)(=O)c1ccc(CBr)cc1 2354689451 MLQRJEYRHULUDM-XJNFMUPTSA-N 459.406 3.552 50 10 JHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1ccc(Cl)cc1I 2365585705 DOUIFXLSJLZVPS-LLVKDONJSA-N 471.564 3.534 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CCO[C@@]2(CBr)C1 2365590225 DQEABSGPLJIKDP-XPTSAGLGSA-N 470.532 3.571 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)C12CCC2 2379722324 VGIUSSFDFLUCMR-VQIMIIECSA-N 497.455 3.716 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 12580771 MQMLEABMTXAOFJ-NSHDSACASA-N 458.729 3.980 50 10 JHGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)c1 102847893 DNAFWUGUGKNYJF-HKWRFOASSA-N 460.534 3.942 50 10 JHGE CCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OC 207003924 UBJUYUULUAHCTH-TYNAANRCSA-N 464.518 3.772 50 10 JHGE O=S1(=O)C=C[C@@H](N(SSN(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c2ccccc2)C1 227135227 TZZPJCHHSTWZQF-WOJBJXKFSA-N 480.658 3.832 50 10 JHGE FC(F)(F)Oc1c(I)cc(CCl)nc1I 396184258 SRUIYRFWPZOUEW-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE C[C@H](CBr)[C@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703964624 KRMWGRCICJCSIH-CRAIPNDOSA-N 485.444 3.524 50 10 JHGE CCCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 727795608 PTNAQZHYHYNXJI-UHFFFAOYSA-N 486.521 3.595 50 10 JHGE CC(C)(C)C(=O)N1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 914503163 AYBCIZZURXBBGH-CYVLTUHYSA-N 478.984 3.741 50 10 JHGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1 1084011293 HBKIUZXOGFBLCR-GOSISDBHSA-N 486.569 3.547 50 10 JHGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1 1084110602 ZDWQZJFTNAOWDI-UHFFFAOYSA-N 484.310 3.854 50 10 JHGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 1464672285 BDMNXVHSELRVAV-OUKQBFOZSA-N 455.458 3.573 50 10 JHGE CCOC(=O)c1cc(I)c(CBr)nc1OC(F)(F)F 1848387792 VRSWWPMNEQKADE-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1O 1865700821 FCHGXNMUCMGCDE-ZDUSSCGKSA-N 454.122 3.660 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@@]2(CCC[C@H](CI)O2)C1 1924238122 WHKCTEPDWSTPBO-JLSDUUJJSA-N 451.345 3.919 50 10 JHGE C=C[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 1993697898 GIDVCDABVRFKDT-QMMMGPOBSA-N 458.919 3.733 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccccc1CBr 2029213060 PZHVLTCIHCYEHS-UHFFFAOYSA-N 465.369 3.790 50 10 JHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCCl)C1CCCCC1 2164494485 VVHXUHBAGNOQNJ-NQIIRXRSSA-N 458.983 3.508 50 10 JHGE COCCCN(Cc1ccccc1)S(=O)(=O)c1c(C)nn(CCCBr)c1C 2179825933 NAFVKYATXSILBC-UHFFFAOYSA-N 458.422 3.512 50 10 JHGE CC(C)[C@H]1[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2182715431 LOSDSHGGNIUBJU-IRXDYDNUSA-N 461.422 3.894 50 10 JHGE CCn1nnc(CC(CBr)(CBr)c2ccccc2Br)n1 2197804705 QWBIUNNDXZFAGQ-UHFFFAOYSA-N 467.003 3.726 50 10 JHGE COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1OC 2295672703 UVCITWDLCJKIDQ-HSZRJFAPSA-N 490.535 3.957 50 10 JHGE O=S(=O)(Cc1ncsc1Br)N[C@@H](CCBr)COCc1ccccc1 2303542671 HTJKVMRVXPWUQB-ZDUSSCGKSA-N 498.262 3.695 50 10 JHGE CC(C=Cc1ccccc1)=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N 2313589012 ZOFJXYXDVBUJQV-UHFFFAOYSA-N 471.384 3.719 50 10 JHGE COc1cccc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1OC 2325904617 IYQYWGOSWJTZTK-UHFFFAOYSA-N 462.531 3.601 50 10 JHGE COc1cccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 2331249131 UFVVQYAHONVITQ-UHFFFAOYSA-N 462.443 3.816 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](CBr)CC1(C)C 2338863739 NPRVRYDRJVRBLB-ZETCQYMHSA-N 457.992 3.581 50 10 JHGE Cn1nc(Br)c(Br)c1CNC(=O)[C@H](Br)C1CCCC1 2339065884 ZLXNNYAWBNTJMF-SECBINFHSA-N 457.992 3.515 50 10 JHGE ClC[C@H]1CO[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]21 2349856203 AHTGIVXNPLCJNP-MISXGVKJSA-N 456.549 3.739 50 10 JHGE CC1CCC([C@H](CCl)NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2379730968 ZCSLJKGBNDHGLW-UHYCVJNDSA-N 455.020 3.806 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N(CCCl)C1CCOCC1 2381881054 HEPLTVJUVVLYOH-UHFFFAOYSA-N 472.548 3.914 50 10 JHGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778297 FYEQYAULRXLKCA-LGMDPLHJSA-N 481.917 3.752 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccncc3)n2-c2ccccc2)cc1 254364808 RJZBIFSXMAQUAP-UHFFFAOYSA-N 458.547 3.970 50 10 JHGE CCc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 254521673 QJXYANPDCNJUHR-UHFFFAOYSA-N 459.502 3.874 50 10 JHGE COc1ccc(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 254764824 PCRKRRXDRBXUDM-UHFFFAOYSA-N 453.502 3.945 50 10 JHGE CC1(C)CN(C(=O)c2ccc(I)c(Br)c2)C[C@H](CCl)O1 721573728 RQBDIFDWFQSGPB-JTQLQIEISA-N 472.548 3.912 50 10 JHGE CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 917392547 HVFQUQJSYVXHAC-FQEVSTJZSA-N 485.009 3.964 50 10 JHGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1 1084109910 IHWJBNAAIBYSLS-UHFFFAOYSA-N 472.910 3.594 50 10 JHGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 1084134047 FMTHUHSECVZJLX-UHFFFAOYSA-N 462.481 3.549 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3I)c(C)n2)cc1 1865757219 RXWCUUKNUPJQKB-UHFFFAOYSA-N 487.297 3.745 50 10 JHGE COC(=O)Cc1c(OC(F)(F)F)ccc(I)c1CBr 2055370636 HEYMXWOKWNMJRL-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N2CCC(I)CC2)c1Br 2077869318 ROBQMTXXISTKPQ-UHFFFAOYSA-N 464.188 3.716 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCC[C@H](CBr)C1 2089707909 UCFHDKGKQIMGGZ-IRXDYDNUSA-N 485.444 3.574 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1Cc1cc(Cl)ccc1I 2122374144 HYOALVAOIFXPMC-WCQYABFASA-N 457.581 3.844 50 10 JHGE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2204727287 GIBZHKBHDKAJAH-INIZCTEOSA-N 461.422 3.895 50 10 JHGE CO[C@@H]1[C@H](OC)CN(C(=O)c2scc(Br)c2Br)[C@H]1CBr 2233356506 UZXLHQZRYSNWKL-XKSSXDPKSA-N 492.027 3.522 50 10 JHGE CC1(C)CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H](CBr)O1 2283657014 QYDNZWNXGLOHNU-SNVBAGLBSA-N 472.548 3.959 50 10 JHGE O=S(=O)(c1cscc1Br)N1CCC(CBr)(C(F)F)CC1 2289949090 AQPGPCIZARLNFZ-UHFFFAOYSA-N 453.168 3.942 50 10 JHGE COc1cc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)cc(OC)c1O 2297321258 ZCQLIGYVFAHACI-UHFFFAOYSA-N 471.513 3.887 50 10 JHGE N#CC(=CN1CCCC[C@@H]1CCO)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609666 JELMGHWOTFLZQP-AREMUKBSSA-N 458.606 3.565 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@H]1COC2(CCC2)CO1)C(=O)OC(C)(C)C 2339384920 UVGUVSDVHTZNQO-MAUKXSAKSA-N 483.387 3.792 50 10 JHGE Cc1cccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNC(=O)c2ccc(F)cc2)c1 254406716 GRLWVGXCGQMORJ-UHFFFAOYSA-N 455.493 3.867 50 10 JHGE CCn1c(SCC(=O)NN=C(C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)c(OC)c1 254868280 ASLXCYBZCYNMNU-UHFFFAOYSA-N 484.538 3.523 50 10 JHGE CCN(CCOCCCl)C(=O)c1cc(I)ccc1Br 388531693 LNHJRBSQMOSWRN-UHFFFAOYSA-N 460.537 3.771 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)cc1F 1141846458 YXIKAPSVYKMIKT-INIZCTEOSA-N 457.640 3.815 50 10 JHGE CCCc1ccc(OCC(=O)NN=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)c(Br)c1 1772756087 KWVPSKRDNPYADC-UHFFFAOYSA-N 466.288 3.553 50 10 JHGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 1865757684 PNIKKXPLRLGDCA-UHFFFAOYSA-N 466.350 3.836 50 10 JHGE F[C@]1(CBr)CCN(c2ncc(I)cc2Br)C1 1988537873 JXKCMJKEZWIPFD-JTQLQIEISA-N 463.914 3.762 50 10 JHGE CN1CC[C@H]([C@@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2031486951 ZXRYVOYELMKNPH-KOLCDFICSA-N 462.001 3.682 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H]2CBr)cc1Br 2031685251 ZMLGZFLCAKWZHX-MRVPVSSYSA-N 462.001 3.678 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](Br)C(F)(F)C2)cc1Br 2152097296 WDWSEPKMIFJNTQ-JTQLQIEISA-N 497.981 3.923 50 10 JHGE O=S(=O)(NCCOCCCBr)c1c(Cl)cc(Br)cc1Cl 2160294849 LVTFDGJKBDDVSQ-UHFFFAOYSA-N 470.010 3.836 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@]2(NS(=O)(=O)c3ccc(CBr)cc3)CCC[C@H]12 2162586209 FYOCENXCJRNUFF-LPHOPBHVSA-N 459.406 3.792 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NCC2(CBr)CCOCC2)C1(C)C 2163063888 RNTJCWPWNLUWNU-QZXCRCNTSA-N 467.470 3.969 50 10 JHGE CN([C@H]1CCCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 2169146147 CMYIEHMREFZHDY-INIZCTEOSA-N 461.422 3.992 50 10 JHGE CC(C)(C)OC(=O)N1CCN(C[C@H]2C[C@@H]2Br)CCN(C(=O)OC(C)(C)C)CC1 2209817757 TZSIUKFMURAHGS-CVEARBPZSA-N 462.429 3.560 50 10 JHGE O=S(=O)(Cc1ccsc1Br)N1CCC(F)(F)[C@H](CBr)C1 2234503764 XPGFOSIQDMEPEY-SECBINFHSA-N 453.168 3.693 50 10 JHGE CN([C@@H](CBr)c1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2296314479 PFLGEAOZBZCEDE-IBGZPJMESA-N 493.423 3.707 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)O 2313567350 GCSIFDQSYGLFFH-UHFFFAOYSA-N 492.269 3.617 50 10 JHGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2C)cc(OCC)c1OCC 2313681366 CMBNQJJLIVAKMG-UHFFFAOYSA-N 496.564 3.822 50 10 JHGE Cc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 2325891320 YLWKLKRAPKOMRI-UHFFFAOYSA-N 458.543 3.603 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](CBr)C1(C)C 2338864352 VJSDQAMMSNHUBG-ZETCQYMHSA-N 457.992 3.581 50 10 JHGE Clc1ccc(CN[C@H]2CCCN(CCBr)C2)c(I)c1 2341059695 NJVQEWWHDCZCKE-ZDUSSCGKSA-N 457.581 3.894 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@]1(CBr)CC12CCC2 2364214758 HMJGOGNQBIRGME-QFIPXVFZSA-N 497.455 3.718 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1CCCl 2364215987 XTIKKXQKYJXTFN-FXAWDEMLSA-N 455.020 3.950 50 10 JHGE CC1(C)C[C@@H](Cl)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364217180 UJRGFKFSAIDUOC-KRWDZBQOSA-N 455.020 3.902 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1C 14650277 UUKCFHXFOLCQDI-UHFFFAOYSA-N 464.385 3.886 50 10 JHGE N#Cc1cccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2B(O)O)c1 196784111 BWVBYIXBXWHEDQ-UHFFFAOYSA-N 455.326 3.942 50 10 JHGE COc1cc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 254498210 PMGOMWLLISGIKW-DODBJVMPSA-N 497.636 3.766 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)/C=C\c1ccccc1 254668736 GUJPALCPQBBMDP-KUUXEYHESA-N 475.457 3.751 50 10 JHGE CS(=O)(=O)c1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 918571612 GNEYTADDENWGPJ-CPNJWEJPSA-N 493.976 3.744 50 10 JHGE CC1=C(C(=O)NN=Cc2ccc(C(=O)O)cc2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084287917 ZAQXXSGJHRYIDR-KRWDZBQOSA-N 463.346 3.635 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084440021 PTUWHLQAFLJUQN-UHFFFAOYSA-N 491.613 3.944 50 10 JHGE O=C(CCc1ccc2c(c1)OCO2)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1084511537 SRMADPLBSYJUDX-FYUVFABMSA-N 453.498 3.928 50 10 JHGE C=CCn1c(S)nnc1Cc1csc(NC(=O)/C(C#N)=C/c2ccc(OCC)cc2)n1 1542720458 SYPWDKRXSWDTLJ-XNTDXEJSSA-N 452.565 3.744 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)Nc1cc(OC)ccc1Cl)c1ccc(Br)cc1 1686919429 FWIVLBOVXPLUBA-OAHLLOKOSA-N 451.708 3.821 50 10 JHGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1Br)C(=O)N2C 1772719990 BKRYPLLCNSTUNZ-UHFFFAOYSA-N 485.382 3.545 50 10 JHGE CCSS(=O)(=O)c1ccc(N2C(=O)CSC2=NC(=O)c2cc3ccccc3oc2=O)cc1 1772743021 AUMUBIQBODBUQH-UHFFFAOYSA-N 488.568 3.511 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3ccc(F)cc3)cc2)cc1 1858667366 UOVJHUBJPOEGHO-UHFFFAOYSA-N 498.561 3.768 50 10 JHGE CCc1ccc(OCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852264 QMSUAEHTJDZXIY-IRXDYDNUSA-N 496.633 3.713 50 10 JHGE CCOC(=O)c1c(NC(=O)CI)sc(C(=O)Nc2ccccc2)c1C 1865947443 DHIJGPJXUSDVDQ-UHFFFAOYSA-N 472.304 3.859 50 10 JHGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1cc(Br)cc(Br)c1 1878685076 VBXOESAMSKTSPI-CABZTGNLSA-N 455.972 3.741 50 10 JHGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1915101919 ZNEBUDWXBWUCLM-KRWDZBQOSA-N 493.423 3.678 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1sccc1Br 2010828517 HTATWTOOPZRNOY-UHFFFAOYSA-N 477.493 3.695 50 10 JHGE O=C(CCl)c1ccc(I)c(OC(F)F)c1I 2060186628 RUDRNHCZXGPSEX-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE O=C(NCC12CC(CBr)(CO1)C2)c1scc(Br)c1Br 2103331848 YGVXUHLXSXXHRZ-UHFFFAOYSA-N 474.012 3.947 50 10 JHGE CN(CC[C@@H](Br)c1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 2168111462 CVCVSMDLUNFQEO-HXUWFJFHSA-N 453.402 3.590 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@@H](Br)CCC12CCC2 2174541010 UNPKSUFXCILNBJ-JTQLQIEISA-N 450.114 3.919 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2179811512 LJTQPVFBKRCMJO-YLJYHZDGSA-N 453.402 3.626 50 10 JHGE Cc1cc(C(=O)N2CCO[C@@H](CBr)C2(C)C)ccc1I 2207103418 BLTNAQQPTKHSBM-ZDUSSCGKSA-N 452.130 3.614 50 10 JHGE COCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 2296719413 NNJIJKFUEZMWGK-UHFFFAOYSA-N 497.349 3.617 50 10 JHGE COC(=O)[C@@H](CCBr)OCc1ccc(I)c(Br)c1 2325386928 RVXCCTWGCSKVDI-LLVKDONJSA-N 491.945 3.897 50 10 JHGE CC(C)[C@H](Cl)C(C)(C)CN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2366068100 HRABXIDGAUQVDJ-LAUBAEHRSA-N 460.999 3.562 50 10 JHGE COCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 33625177 TWBKMQMFCGNFOA-VLGSPTGOSA-N 460.534 3.844 50 10 JHGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812117 QADPMULILLTVCJ-TURZUDJPSA-N 466.582 3.803 50 10 JHGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813708 UEWRHJVCQSSOKE-KOEQRZSOSA-N 463.365 3.753 50 10 JHGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 48572671 ZOZLDYXTLOIQJA-RWPZCVJISA-N 479.920 3.838 50 10 JHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101341724 GGBLICLAXWUPLH-BUVRLJJBSA-N 492.503 3.577 50 10 JHGE Cc1c(C(=O)NNC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)oc2ccccc12 109994464 DZUCOCBJSYIPCF-QGZVFWFLSA-N 470.323 3.570 50 10 JHGE CCCOc1ccc(/C=N\NC(=O)CCc2nc3ccccc3nc2O)cc1Br 169887175 WXCZBXFNDNYIGW-QRVIBDJDSA-N 457.328 3.970 50 10 JHGE CCCOc1c(OC)cc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1OC 169923921 WHEYGKPUCXQTQE-DHRITJCHSA-N 454.458 3.558 50 10 JHGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)/C=C\c2cc(Br)ccc2F)cc1 214656843 USGSIMGUDJCKOB-XFVCYKSVSA-N 451.292 3.615 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](CCl)OC[C@H]2C)cc1Br 227404113 JQKUWFXKJRVUFY-ZJUUUORDSA-N 461.603 3.537 50 10 JHGE O=C(NCCCCBr)c1cc(I)ccc1Br 232479077 DOVPFRUAKWFPPR-UHFFFAOYSA-N 460.935 3.959 50 10 JHGE Clc1ccc(I)c(CN[C@H]2CCCN(CCBr)C2)c1 405356379 YJXXYNYHPVEFIG-ZDUSSCGKSA-N 457.581 3.894 50 10 JHGE N#C/C(=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1)C(=O)OCc1ccccc1 783113298 WGOBOAWCHAXTNQ-WQRHYEAKSA-N 479.334 3.838 50 10 JHGE CCOc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Br)cc2)cc1 1084379352 MQVYJGYBBRQLGJ-IBGZPJMESA-N 473.396 3.791 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc1 1671013021 LOKOGXFSKGTJCR-HNNXBMFYSA-N 453.524 3.645 50 10 JHGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693746 YAKFPBJZZZZYRC-NRFANRHFSA-N 462.506 3.687 50 10 JHGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712380 WWXQWTOBOQVSNB-JOCHJYFZSA-N 464.497 3.877 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC(CCBr)C1 1946930220 SNFFCFRTLMAZQA-UHFFFAOYSA-N 472.946 3.911 50 10 JHGE O=C(NC[C@@H]1C[C@@H]1CBr)c1ccc(Br)cc1I 2026222165 VCSSGHOFFOLZCX-SFYZADRCSA-N 472.946 3.815 50 10 JHGE CN([C@H]1CCCCC[C@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2115919342 SBISECIKIFAVGD-MSOLQXFVSA-N 485.444 3.667 50 10 JHGE C[P@]1(=O)C[C@H](Br)[C@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 2121383903 IMBCXWRBJAVVPP-BBAQMYCGSA-N 471.560 3.581 50 10 JHGE Clc1ccc(I)c(CN2C[C@@H]3[C@@H](CBr)CO[C@H]3C2)c1 2121589170 WBMSQEUBNMJCNR-SUHUHFCYSA-N 456.549 3.786 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2162592879 YOZYKCXJOXEEFZ-OAHLLOKOSA-N 459.406 3.649 50 10 JHGE CC(C)(C)OC(=O)Nc1cncc(CNS(=O)(=O)c2ccc(CBr)cc2)c1 2201641966 KQCXOCYOVDJHKS-UHFFFAOYSA-N 456.362 3.802 50 10 JHGE CC(C)(C)OC(=O)NC1(C2CCN(CCCCCI)CC2)COC1 2214706093 YXVRWLZTZKNKDB-UHFFFAOYSA-N 452.377 3.597 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2255529579 MGFUMGYJFOWLIV-UHFFFAOYSA-N 488.506 3.683 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2283662253 IYRKZQCSDNTYGG-OASPWFOLSA-N 470.532 3.712 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)Cc2cc(Br)cc(Br)c2)C1 2295313403 JHTWLMPTTUCCKD-XBXGTLAGSA-N 469.999 3.813 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccc(F)cc1 2297551825 JTVKOXIIZAJSNF-UHFFFAOYSA-N 481.505 3.606 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H](CBr)CCC12CCC2 2364011501 AKTLAOMUFVPBCA-QMMMGPOBSA-N 470.003 3.867 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 2364214465 GQIAHVAFCJEGGE-FFZOFVMBSA-N 497.455 3.953 50 10 JHGE O=C(NCC12CC(CBr)(CO1)C2)c1ccc(Cl)cc1I 2365598248 PPEGYKJNFCCBFL-UHFFFAOYSA-N 470.532 3.619 50 10 JHGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccco2)CCC3)cc1OC 40814405 WRFJWWNFNCUJRH-WPWMEQJKSA-N 465.506 3.641 50 10 JHGE O=C(NN=Cc1ccc(C=NNC(=O)c2ccc3ccccc3n2)[nH]1)c1ccc2ccccc2n1 254624549 JSWQUTUHBOUWFA-UHFFFAOYSA-N 461.485 3.639 50 10 JHGE O=C(CBr)c1cc(OC(F)(F)F)cc([N+](=O)[O-])c1I 575710947 MDOOZPZUTPOESJ-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)[C@@H](CI)C1 725398860 OLXPBFGQBNISOY-NWDGAFQWSA-N 477.255 3.889 50 10 JHGE CC(=O)N[C@H](CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1c(F)cccc1F 727293369 VJXGLOOKGUYQFR-OAQYLSRUSA-N 485.462 3.711 50 10 JHGE COC(=O)c1ccc(COc2ccc(C=NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2OC)o1 1084394847 WIJYUGSRTDFCTH-UHFFFAOYSA-N 487.852 3.979 50 10 JHGE CC(=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1084454812 FYUHOIZNFCPLSK-UHFFFAOYSA-N 480.546 3.947 50 10 JHGE C#C[C@H]1CC[C@H](NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)CC1 1471698392 IZJHWUGXDYCDPN-WKLCGPKZSA-N 457.534 3.696 50 10 JHGE C=CC[C@]1(C(=O)NNC(=O)c2ccc(Br)s2)CCCN1C(=O)OC(C)(C)C 1538735911 YVNTVJXWCAJGII-GOSISDBHSA-N 458.378 3.617 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 1564999205 ICMDULFJGRUSRQ-HNNXBMFYSA-N 451.118 3.530 50 10 JHGE O=C(NNc1ccc(OCCOc2ccccc2Cl)cc1)[C@@H]1CCCN1C(=O)C(F)(F)F 1858080400 BBGDZGRXOAARKL-KRWDZBQOSA-N 471.863 3.794 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccc([N+](=O)[O-])s4)c(=O)c23)cc1 1860772668 FKLYWVFOEKQQOE-GZIVZEMBSA-N 453.505 3.553 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 1866856493 JIOIBANCEKZTQU-OAQYLSRUSA-N 496.495 3.548 50 10 JHGE CSCC[C@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(SC#N)cc1 1867263218 DVIZWOBZQQLOFT-IBGZPJMESA-N 481.603 3.718 50 10 JHGE O=C(NC[C@H]1C[C@@H]1Br)c1ccc(Br)cc1I 1995285696 JUYSEYCCTPJIFA-MUWHJKNJSA-N 458.919 3.567 50 10 JHGE CC1(COc2c(Br)cc(Br)cc2CBr)CS(=O)(=O)C1 2097059572 BZBJXSKUCFSDDO-UHFFFAOYSA-N 477.012 3.920 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@]2(CCl)CCC[C@H]12 2165230818 BMSBUSUHIJQQFH-SIKLNZKXSA-N 453.004 3.656 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185292694 JLNTZACJHCQWSI-BZHVJNSISA-N 470.532 3.712 50 10 JHGE C[C@H](Br)Cc1cn(-c2ccc(Br)cc2I)nn1 2217121771 ZWUAPRBRPRZCRE-ZETCQYMHSA-N 470.934 3.960 50 10 JHGE COC[C@]12C[C@]([C@@H](Br)c3ccc(OC)c(I)c3)(CO1)C2 2284995969 FMPCIAOHSLKNKJ-KKUMJFAQSA-N 453.114 3.931 50 10 JHGE C[C@@H](Cl)CN(CCC(C)(C)C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2288020705 IHMSFIFOUBURQU-QVKFZJNVSA-N 460.999 3.706 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 2314737394 GRAGTZKORHOSJY-UHFFFAOYSA-N 466.534 3.647 50 10 JHGE CC(C)[C@](C)(CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825553 DDRHUSUUDPZSKQ-FQEVSTJZSA-N 473.433 3.572 50 10 JHGE CC(C)[C@H]1C[C@](C(=O)O)(N(C)C[C@@H]2C[C@H]2Br)CN1C(=O)OCc1ccccc1 2326062685 BNYJDZKSESDIGN-OOSNJVJTSA-N 453.377 3.592 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CBr)c1cccc(I)c1 2336531261 GRWCRJOFZHUORM-UHFFFAOYSA-N 453.999 3.687 50 10 JHGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C[C@@]1(CBr)CC1(F)F)C2 2351892063 LCWKKGQZORGDQN-INIZCTEOSA-N 452.365 3.946 50 10 JHGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Cl)cc(OC)c1OC 13977839 PGJSXFQLMXWEQD-ZVBGSRNCSA-N 457.708 3.657 50 10 JHGE CCCCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c2ccccc21 39918699 QUBJPEHTDZQSQK-MUUNZHRXSA-N 466.541 3.724 50 10 JHGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2 101110336 UJGLNACNIOZWRG-QRVIBDJDSA-N 480.306 3.790 50 10 JHGE O=C(Oc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1)c1cccs1 169919695 NDFVVMOWGVFSEG-QQXSKIMKSA-N 457.511 3.941 50 10 JHGE C[C@H](Br)C(=O)Nc1cc(I)cc(I)c1 606301917 PNTJEZCQEOISNR-YFKPBYRVSA-N 479.881 3.618 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC(=O)OC 725441473 AONFIAHEVOVMDS-QHCPKHFHSA-N 498.576 3.728 50 10 JHGE COC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772744005 OETKNKHCELFETQ-GFCCVEGCSA-N 462.344 3.586 50 10 JHGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744901 MDXAIGRZWBPGTP-UHFFFAOYSA-N 460.490 3.939 50 10 JHGE CCOC(=O)c1cnc(I)c(OC(F)(F)F)c1CBr 1848387773 UJHMWWNEOZMMMY-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE Cc1nc(I)c(I)n1-c1ncc(Cl)c(CCl)n1 1942189764 BPZMNEGVNIHDRB-UHFFFAOYSA-N 494.889 3.572 50 10 JHGE O=C(N[C@H]1C[C@@H]1CBr)c1cc(Br)ccc1I 1975544626 BMMCLPNOFSISTL-LDWIPMOCSA-N 458.919 3.567 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC(F)(CBr)C1 2005090976 BVHXQEHGANXQKY-UHFFFAOYSA-N 476.909 3.613 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2c(Br)cccc2Br)C1 2109022698 VKFOWBABTIJAAU-BDAKNGLRSA-N 455.972 3.836 50 10 JHGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)CCC(F)(F)CBr 2123364093 TXTKMJMRCFNAKY-UHFFFAOYSA-N 453.393 3.581 50 10 JHGE COC[C@@](C)(CCCl)NC(=O)c1ccc(Br)cc1I 2142284525 DNNNXHXCMGMMEL-CYBMUJFWSA-N 460.537 3.818 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H](CBr)C(F)(F)C1 2146374571 COWBNJBXYUDWDR-MRVPVSSYSA-N 453.168 3.860 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201763745 PTIUCVQINMMSOJ-QMTHXVAHSA-N 467.983 3.980 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC[C@@H](OCCCBr)C1 2207035223 ONZFDLREDXANEG-MRVPVSSYSA-N 467.632 3.729 50 10 JHGE Cc1ccc(C(=O)N2C[C@H](Br)[C@@H](Br)C2)cc1I 2212991838 DEAVKKFNSQZZAT-UWVGGRQHSA-N 472.946 3.582 50 10 JHGE C[C@@H](N(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)Oc1ccc(B(O)O)c(C(F)(F)F)n1 2240287109 KWLCBIFHDBZOBP-OAHLLOKOSA-N 482.308 3.763 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2(C3CCC3)COC2)C1 2250826946 VTNHEZHTBOIEJI-QGZVFWFLSA-N 451.345 3.777 50 10 JHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1C 2268645122 OCTKSZLAFTXGLZ-QUGAMOGWSA-N 486.377 3.567 50 10 JHGE NNC(=O)C=Cc1ccc(OCc2cccc(Br)c2)c(I)c1 2293940887 KTPKXHINTKZARW-UHFFFAOYSA-N 473.108 3.636 50 10 JHGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3CCCCC3)nc3c(C)cccn3c2=O)cc1 2296849763 OXVHQFCFQPRGPO-UHFFFAOYSA-N 457.534 3.938 50 10 JHGE CCOC(=O)c1c(NC(=O)COC(=O)C(C#N)=Cc2ccc(N(C)C)cc2)sc(C)c1CC 2297487119 SUONQCCDKCHMHE-UHFFFAOYSA-N 469.563 3.951 50 10 JHGE CC(C)[C@@H]1C[C@](C(=O)O)(N(C)C[C@@H]2C[C@H]2Br)CN1C(=O)OCc1ccccc1 2325645971 BNYJDZKSESDIGN-NYUBLWNDSA-N 453.377 3.592 50 10 JHGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC 2329702194 WRWJQPPBZYQUEX-UHFFFAOYSA-N 482.518 3.655 50 10 JHGE CS(=O)(=O)[C@H]1C[C@H](CO[C@H](CI)c2ccccc2Br)C1 2381027749 DORXBXCWJXJZSI-JTNHKYCSSA-N 473.170 3.765 50 10 JHGE N#CC1=C(N)C(C#N)(C#N)C2=CCN(C(=O)OCc3ccccc3)C[C@H]2[C@@H]1c1cccc(F)c1 1073783 MXZIZHHQLCBZAP-FYYLOGMGSA-N 453.477 3.888 50 10 JHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1C 10154197 HCMOWSNBBSNASB-SFHVURJKSA-N 457.596 3.831 50 10 JHGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 13993099 OPGJVNAGLHCREN-HNNXBMFYSA-N 457.324 3.904 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c(Br)c1 14832270 ASAMYPOQOVVIDR-CYBMUJFWSA-N 495.370 3.828 50 10 JHGE N#Cc1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)sc2c1CCCC2 254738043 DVSGUABQBSIVPA-UHFFFAOYSA-N 490.516 3.946 50 10 JHGE COC1(CCl)CCN(C(=O)c2cc(I)ccc2Br)CC1 401967635 GZWCCPJVWXEDJS-UHFFFAOYSA-N 472.548 3.914 50 10 JHGE CCCOc1ccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 1084008910 DLYSVUWVXDOPBA-UHFFFAOYSA-N 481.574 3.830 50 10 JHGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 1438016949 QNNXWIYOEHIZHZ-BUDOKORBSA-N 455.356 3.501 50 10 JHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)C(c4ccccc4)c4ccccc4)c(=O)c23)C1 1860769655 BYNQRIRTEPDSAC-QGZVFWFLSA-N 486.597 3.562 50 10 JHGE O=S(=O)(NCCCN(Cc1ccccc1)Cc1ccccc1)N1CCC(Br)CC1 1959255744 LTVLBPDUNIDLIT-UHFFFAOYSA-N 480.472 3.773 50 10 JHGE CC(C)(C)OC(=O)N1CCCc2ccc(NS(=O)(=O)CI)cc21 1983328481 XYBIOPGDHYAVCV-UHFFFAOYSA-N 452.314 3.509 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@@H]2C[C@]23CCOC3)C1 2021276192 HZYONKUXZUSIRK-JCGIZDLHSA-N 451.345 3.634 50 10 JHGE O=C(NCCOCCCI)c1cc(Cl)ccc1I 2042203661 MXTNDDDNFSPQMX-UHFFFAOYSA-N 493.510 3.516 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 2076257911 QIWMZFXIXKJYBB-XVKPBYJWSA-N 462.001 3.616 50 10 JHGE CO[C@@H]1C[C@H](Cl)CN(C(=O)c2ccc(I)c(Br)c2)C1 2109023881 ZUKKMTDROOFQPY-VHSXEESVSA-N 458.521 3.522 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC(F)(CBr)C1 2116278080 CRVNSPOFQJWTTJ-UHFFFAOYSA-N 455.958 3.863 50 10 JHGE CN1[C@@H](COc2c(Br)cc(Br)cc2CBr)CCS1(=O)=O 2144911558 BECBAVGCVSUXII-SNVBAGLBSA-N 492.027 3.519 50 10 JHGE C[C@]1(CBr)CC(F)(F)CN1C(=O)Cc1ccccc1I 2159039495 CBTYLTNZANJIOS-CYBMUJFWSA-N 458.084 3.855 50 10 JHGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1cc(CBr)co1 2179835526 UPZKRBNMEFHVGA-DFNIBXOVSA-N 453.402 3.991 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H]2CBr)cc1Br 2225383684 CFVUMATVZHVZFL-GZMMTYOYSA-N 476.028 3.972 50 10 JHGE Cc1ccc(I)c(C(=O)N2C[C@H](C)O[C@H](CCBr)C2)c1 2240901453 PNHPGAXKTUCQCC-NWDGAFQWSA-N 452.130 3.614 50 10 JHGE CN(Cc1cccc(I)c1)S(=O)(=O)[C@@H]1CC[C@@H](CBr)C1 2280350937 CTYHAEYUQKNWNK-BXUZGUMPSA-N 472.186 3.616 50 10 JHGE CC(C)(CI)CN1CCN([C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 2326664478 GHOQNVGNLXZIRW-HOTGVXAUSA-N 465.420 3.511 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2[C@H](C)CC)cc1 9872709 OPDQCWBQTVSGRB-QZTJIDSGSA-N 455.555 3.932 50 10 JHGE CCCCOc1cccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)c1 14041634 LGFYBDNYMIQYSD-UHFFFAOYSA-N 468.291 3.554 50 10 JHGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1OC 33959265 UKMFQTBFZVDXRT-ZMOGYAJESA-N 494.416 3.503 50 10 JHGE CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(CC)CC)c1 35447545 QNKNLXAZZYJOPM-HMMYKYKNSA-N 477.590 3.613 50 10 JHGE COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811739 SNXVSAGOTAPKFZ-LFVJCYFKSA-N 462.344 3.587 50 10 JHGE CCCCn1c(=O)c(C(=O)NN=C(C)c2c(O)nc3ccccc3c2O)c(O)c2ccccc21 254296654 IBMZCWMPFYTGLL-UHFFFAOYSA-N 460.490 3.621 50 10 JHGE O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccco1 254798276 RGNCVNUHLJVALZ-UHFFFAOYSA-N 451.426 3.644 50 10 JHGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Cl)Cc2ccccc2)cc1 1084416594 NRGKNNNLXBTLBK-UHFFFAOYSA-N 498.992 3.640 50 10 JHGE O=C(COc1cccc(C=NNC(=O)C(=O)NCc2ccccc2)c1)Nc1cc(Cl)cc(Cl)c1 1084443800 DOLPQHKILDZTBR-UHFFFAOYSA-N 499.354 3.777 50 10 JHGE CCC(=O)NC1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 1347509072 GFSUHRSMBHHBHC-JXAWBTAJSA-N 464.957 3.541 50 10 JHGE CCOC(=O)c1cc(CBr)nc(OC(F)(F)F)c1I 1848387583 FXCOYXGYKNLMQH-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688920 FRMSBZNJSKXROT-KRWDZBQOSA-N 468.311 3.525 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cccc(Br)c2Br)[C@@H]1Br 1910986762 SWSLGFKFMVPRAD-ONGXEEELSA-N 455.972 3.882 50 10 JHGE COC[C@](C)(CBr)CNC(=O)c1cc(Br)ccc1Br 1926999466 JQPFCTQVANUYLD-CYBMUJFWSA-N 457.988 3.989 50 10 JHGE CC(F)(F)C[C@@H](CBr)NC(=O)c1cc(I)ccc1F 2113358986 WXTJCURUXVXUKX-QMMMGPOBSA-N 450.036 3.969 50 10 JHGE C[C@@H]1CCN(S(=O)(=O)c2ccc(CCBr)s2)CCN1Cc1ccccc1 2123241537 KQDCWMLHSPBLBO-MRXNPFEDSA-N 457.459 3.971 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Cl)C2(CCCCC2)C1 2174378007 ZRRYRZDSQXWNOG-IBGZPJMESA-N 453.004 3.656 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2179862905 DKTIAJDSVAFLGY-XLIONFOSSA-N 452.418 3.585 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1F)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188880988 BGODSZXBYUAIOF-HKUYNNGSSA-N 453.377 3.616 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)CC1(C)C 2193325059 NNDPKJBJGNLBSE-OAHLLOKOSA-N 461.422 3.895 50 10 JHGE Cc1csc(CBr)c1S(=O)(=O)N(C)C[C@]1(Br)CC1(F)F 2202536806 IOMNIBXRJTVUQL-SNVBAGLBSA-N 453.168 3.745 50 10 JHGE Cc1cc(C(=O)N[C@H](CBr)C[C@H]2CCOC2)ccc1I 2207096260 JOHBQTMJDLBQBM-YPMHNXCESA-N 452.130 3.520 50 10 JHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])s2)cc1OC 2297550432 RMKXYXHYIFUAJS-UHFFFAOYSA-N 480.502 3.595 50 10 JHGE CCN(C[C@](C)(CI)OC[C@H]1N(C)CC1(C)C)C(=O)OC(C)(C)C 2298945146 KAUUKMCFDNZMCL-KDOFPFPSSA-N 454.393 3.794 50 10 JHGE CCc1cnn(CCO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c1 2322612496 WYMRAGJFBCNKJT-SFHVURJKSA-N 463.360 3.667 50 10 JHGE CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)CCCBr)[nH]c1=O 11855187 ZOSZQJTWZLFBMS-UHFFFAOYSA-N 450.362 3.669 50 10 JHGE CCOc1ccc(CC(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1OCC 12491135 ZPEGQNCBPYSIKD-UHFFFAOYSA-N 461.946 3.555 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl 13977973 KNIAYYGHOOMOFC-UHFFFAOYSA-N 462.127 3.670 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658451 XYKFMBCLMUGMMX-UHFFFAOYSA-N 463.332 3.812 50 10 JHGE O=C(CCC(=O)Nc1cccc(Cl)c1)NN=Cc1cccc(I)c1 254353742 UYCIWSOIKNEERN-UHFFFAOYSA-N 455.683 3.814 50 10 JHGE CCOC(=O)N1CCC(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 914439031 FPOFLVMJPOROBZ-JXAWBTAJSA-N 480.956 3.761 50 10 JHGE CC(=O)N/C(=C\c1ccccc1)C(=O)NNc1c(Br)cccc1Br 1633992094 IZTIJAZQWLOAGM-GDNBJRDFSA-N 453.134 3.832 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3cccs3)cc2)cc1 1858666097 SDJFCWZFBYOSHD-UHFFFAOYSA-N 486.600 3.691 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4cccc(C(F)(F)F)c4)c(=O)c23)cc1 1860770569 OBGDLPQVPFAJBA-UHFFFAOYSA-N 486.475 3.913 50 10 JHGE C[C@@H](C(=O)NNC(=O)CCCc1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771530 ZKVMYMYSFFZQDQ-CABCVRRESA-N 487.025 3.968 50 10 JHGE CC(C)CSc1ccc(C(=O)NNC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 1865757939 BLEKQUOBGSJITJ-FQEVSTJZSA-N 453.564 3.517 50 10 JHGE O=C(NC[C@H]1C[C@H]1Br)c1ccc(Br)cc1I 1898111865 JUYSEYCCTPJIFA-HZGVNTEJSA-N 458.919 3.567 50 10 JHGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1cc(CBr)sc1Br 2076249373 BQNBZKSGQQWZBM-HTRCEHHLSA-N 482.057 3.809 50 10 JHGE O=S(=O)(c1c(Cl)cccc1Br)N1CCC(I)CC1 2077867591 KPTOVUWTFCJTCG-UHFFFAOYSA-N 464.550 3.691 50 10 JHGE C[C@H]1CCC[C@@](CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089708382 ZBRHZOWVUFYSDH-HRAATJIYSA-N 485.444 3.716 50 10 JHGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCBr)s1 2123241456 JMLXGLIGTHOAPS-UHFFFAOYSA-N 457.459 3.971 50 10 JHGE O=S(=O)(c1ccsc1CBr)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2123283670 JYIYHTFOGKXQRY-LJQANCHMSA-N 455.443 3.930 50 10 JHGE O=S(=O)(c1ccsc1CBr)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2123285997 HRWQPAQRSBUWDK-IAGOWNOFSA-N 455.443 3.786 50 10 JHGE C[C@H]1[C@H](C)N(S(=O)(=O)CCC(F)(F)CBr)C[C@@H](C)N1Cc1ccccc1 2123365103 FGXXCEFRLFNTEC-PMPSAXMXSA-N 453.393 3.720 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1cc([N+](=O)[O-])ccc1CBr 2176910884 LEBQQVJVAOMJHK-UHFFFAOYSA-N 469.295 3.904 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C(C)(C)C1 2188965966 PYHFHKTXWLMGOL-OAHLLOKOSA-N 461.422 3.895 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2200815535 NFGCRGYQSZNTKO-BEFAXECRSA-N 459.406 3.507 50 10 JHGE CCN1CCC[C@@H]([C@@H](Br)c2ccc(C)c(I)c2)S1(=O)=O 2232824680 BNVDQFOFUFJWRM-KBPBESRZSA-N 472.186 3.850 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2OCC[C@]2(CBr)C1 2296359188 DMCKQWAVMJBRQK-OCCSQVGLSA-N 470.532 3.571 50 10 JHGE CCCN(CCOCCI)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2306800938 BDIFJXXYTJTGTR-MRXNPFEDSA-N 454.393 3.797 50 10 JHGE N#CC(=Cc1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2329651383 NJOIQFXJRQQMRH-UHFFFAOYSA-N 466.346 3.560 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1Cc1cc(I)ccc1Cl 2352428871 ZZRHRNFJXLUBLW-YPMHNXCESA-N 457.581 3.844 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CCl 2358965977 MOKCJXFJHPVGQJ-FCEWJHQRSA-N 453.004 3.511 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC2(CCC(Br)CC2)C1 2364026071 DXHNGQWKGHFVCD-UHFFFAOYSA-N 470.003 3.725 50 10 JHGE CC[C@]1(CBr)COCCN1C(=O)c1ccc(Cl)cc1I 2365582672 UKTQAFSDPWZJLW-AWEZNQCLSA-N 472.548 3.961 50 10 JHGE CN(CC[C@@H](Cl)c1cccs1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2366248126 PNNRHVNSLCUJGV-OXQOHEQNSA-N 472.991 3.704 50 10 JHGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC(OCc2ccccc2)C1 2367008343 KIUAEXZRTMHLSW-UXDRXVOSSA-N 457.434 3.549 50 10 JHGE COC(=O)/C(C#N)=C\c1cccc(OC(=O)c2cc(OC)c(OC)c(OC)c2Br)c1 2888740 YLTYFOIWFKIEID-JYRVWZFOSA-N 476.279 3.774 50 10 JHGE Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)ccc1F 10737047 HIHMQGPBMAHXFJ-UHFFFAOYSA-N 480.521 3.501 50 10 JHGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 14020710 USASXMKQBRRDDD-UHFFFAOYSA-N 476.558 3.595 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644397 PQOZBKSVWYTFSZ-GFCCVEGCSA-N 455.736 3.659 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC)c(Br)c2)cc1 14647852 WTCKRNAAABLAIL-UHFFFAOYSA-N 492.395 3.752 50 10 JHGE N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 15889097 SAOFKZIIUWWKAE-DTQAZKPQSA-N 463.497 3.651 50 10 JHGE COc1ccc(CCC(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c(O)c1 59165846 NGRCPMPOSNVEFW-JFLMPSFJSA-N 478.501 3.770 50 10 JHGE C=CCn1cc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2CC=C)cn1 59830031 ZNYMMMPRSKQVHU-KWJLSGNOSA-N 485.017 3.743 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1C 97654765 RITYBEABCVMDEB-WQRHYEAKSA-N 466.563 3.652 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccs2)CCC3)cc1 101615990 VYQFNLUNHQEQPX-LFVJCYFKSA-N 450.520 3.503 50 10 JHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1ccnc1 102855545 QFXWHGSOTKFVEP-HKWRFOASSA-N 467.489 3.757 50 10 JHGE COC1=C/C(=C\NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)C=CC1=O 135965015 XWSXASNXUZHDQZ-BENRWUELSA-N 450.442 3.622 50 10 JHGE CCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1Br 169919621 LWAUORYSLLUXHF-OYKKKHCWSA-N 454.324 3.822 50 10 JHGE CCOc1cc(C=NNC(=O)COc2c(C)cccc2C)cc(I)c1O 252592365 BEZJERGVWSOPQY-UHFFFAOYSA-N 468.291 3.541 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccncc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254660194 YYWBZMVXCIWFRQ-UHFFFAOYSA-N 451.395 3.853 50 10 JHGE C[C@H]1C[C@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 384947848 AMFBEBKFFYMPFA-CBAPKCEASA-N 462.001 3.758 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)c1 727501625 WKNXSKKCJQSCBH-UHFFFAOYSA-N 481.379 3.520 50 10 JHGE CC(=NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 729816845 RCSRTYICRVHPKT-UHFFFAOYSA-N 455.511 3.930 50 10 JHGE N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1)C(=O)OCc1ccccc1 765746445 WLCDBERYTAHMGL-PDGQHHTCSA-N 479.334 3.838 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2cccc3ccccc23)cc1 920853061 HQJOAYQAIRAHOM-JCMHNJIXSA-N 479.540 3.811 50 10 JHGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(Br)c1 1084575222 LCRBVFOLYIUCLF-UHFFFAOYSA-N 482.378 3.964 50 10 JHGE O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1086838367 SBXYMMZOOIAIMF-UHFFFAOYSA-N 454.449 3.779 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 1614633293 JHDPTBWTLUIRTC-FZMZJTMJSA-N 477.255 3.889 50 10 JHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744256 TXRAKVQDJLMQER-UHFFFAOYSA-N 463.465 3.856 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccs2)CCC3)cc1 1772750045 VYQFNLUNHQEQPX-UHFFFAOYSA-N 450.520 3.503 50 10 JHGE COc1ccc2c(c1)c(/C=N\NC(=O)[C@H](C)n1cnc3sc4c(c3c1=O)CCCC4)cn2C 1860773902 JLYTWONUNLRFHA-MIMRRFGUSA-N 463.563 3.548 50 10 JHGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)CCCSc2ccc(C)cc2)CC1=O 1865755695 MBLHTTHNHYADPN-HXUWFJFHSA-N 453.608 3.939 50 10 JHGE O=C(N[C@@H](C[S@](=O)C[C@@H]1C[C@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877472512 HHDGURMDMYIUHK-DUSHVVHRSA-N 492.391 3.510 50 10 JHGE COC1CC(CBr)(NC(=O)c2ccc(I)c(Cl)c2)C1 1899799323 CIFCPCNEWWKEEZ-UHFFFAOYSA-N 458.521 3.617 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2ccc(I)c(Cl)c2)[C@@H]1Br 1911027719 VLHWMCGJSAVUGF-MNOVXSKESA-N 458.521 3.615 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1CCC(CBr)CC1 1922705851 MJJMFGMGWPCKQD-UHFFFAOYSA-N 485.444 3.574 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2cc(Br)sc2Br)C1 2046669399 NEXKKWPUHBEUNK-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)NC1CC(Br)C1 2063148994 DSDLTVCBZMZWCB-YMAMQOFZSA-N 476.209 3.927 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@H](CBr)C2)cc1Br 2090078230 SYFAQFOINFTPAO-KYZUINATSA-N 476.028 3.972 50 10 JHGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)CC1 2110715498 NULDLGODSJFRMM-QWXGXRTQSA-N 451.427 3.964 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178090247 GNZOPJAUNLNQIH-QRTLGDNMSA-N 467.983 3.694 50 10 JHGE O=S(=O)(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1cc(Br)cs1 2192576407 OWAKZZFGTOOILU-VXNVDRBHSA-N 457.131 3.752 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](OCCCCl)C1 2207031347 GLYZKXFVRJAEQH-LLVKDONJSA-N 472.548 3.914 50 10 JHGE CC1(C)OCCN(C(=O)c2cc(Br)ccc2I)[C@H]1CCl 2282890906 SQBMFLVIEJSYFU-LBPRGKRZSA-N 472.548 3.912 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)OC)cc2OC)cc1OC 2293189834 OYZJWHKWRXFESL-UHFFFAOYSA-N 462.458 3.695 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1C[C@@H](CBr)CO1 2295311513 LUVMVASNSNSFID-GWCFXTLKSA-N 469.999 3.670 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2)c(OC)c1 2314737962 DIUURLUHTNFSLM-UHFFFAOYSA-N 472.925 3.783 50 10 JHGE CN(C)C[C@H]1C[C@H](Cl)CN1Cc1ccc(I)c(Br)c1 2349862865 RKVLHYLXZRYHBI-NWDGAFQWSA-N 457.581 3.797 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)c1ccccc1 2364031905 OGBJQUOKFLZNRA-SECBINFHSA-N 465.971 3.811 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@]1(CBr)C[C@H]2CC[C@H]1C2 2364197930 QQCDUKSNGRZHRS-HOIFWPIMSA-N 497.455 3.716 50 10 JHGE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)c(Cl)c1 2369468438 PWBLAZLUPZIHEC-AWEZNQCLSA-N 477.764 3.897 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1 10471862 ORVDHCOMMUTMPI-UHFFFAOYSA-N 490.585 3.984 50 10 JHGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 13993102 OPGJVNAGLHCREN-OAHLLOKOSA-N 457.324 3.904 50 10 JHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 14039055 RSOACCYJNIFQHG-GFCCVEGCSA-N 470.378 3.884 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)cc2)cc1Br 14041435 DJNRYQZNAFXEPJ-UHFFFAOYSA-N 480.384 3.586 50 10 JHGE COc1cc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc(OC)c1OC 14668199 RJJFKNDSQVJHAG-UHFFFAOYSA-N 495.370 3.612 50 10 JHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)sc(C)c1C 33568247 RHXYCDWTBCLILG-WJDWOHSUSA-N 499.570 3.995 50 10 JHGE CCCCCCOc1ccc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 40514771 RPOINKZDJZHSBP-XSFVSMFZSA-N 454.523 3.810 50 10 JHGE COc1cc(/C=N/NC(=O)CCCNc2ccc(Br)cc2)cc(OC)c1OC 59507569 LTEVYDXQLGXTPB-YDZHTSKRSA-N 450.333 3.817 50 10 JHGE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NNC(=O)c1cccc(N(C)C)c1 107765831 YBRFPWARPLSFID-UHFFFAOYSA-N 459.472 3.578 50 10 JHGE COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3ccc4c(c3)OCO4)cc2)CC1 254759962 OHHNRXPLINBLBB-UHFFFAOYSA-N 472.545 3.510 50 10 JHGE Nc1cc(N)cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382732878 VKMGEVHMGOGXSX-QAPCUYQASA-N 451.308 3.638 50 10 JHGE O=S(=O)(c1c(Cl)cccc1Br)N1CCSC[C@H]1CCBr 689309821 KAHUFDFSZYUHJX-SECBINFHSA-N 463.644 3.994 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCCCO3)c(-c2ccccc2)n1 727409832 FQICBQTZRYVNCG-QNGOZBTKSA-N 453.502 3.848 50 10 JHGE CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl 1617621495 FXTNWTIEXDKLAZ-UHFFFAOYSA-N 457.745 3.891 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(C(F)(F)F)cc4)c(=O)c23)C1 1860771333 QTWOZVMAASQUIG-VXGBXAGGSA-N 478.496 3.624 50 10 JHGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711776 HTZDTVFWRSNYHQ-FQEVSTJZSA-N 465.853 3.732 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Cl 1924876966 OVSHFKXKDOOMFH-QFBILLFUSA-N 453.004 3.560 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2cccc(Br)c2Br)C1 2109021888 SUBHXEPMWFYYBT-RKDXNWHRSA-N 455.972 3.836 50 10 JHGE COC[C@](C)(CCCl)NC(=O)c1ccc(Br)cc1I 2142284526 DNNNXHXCMGMMEL-ZDUSSCGKSA-N 460.537 3.818 50 10 JHGE CC(C)(C)OC(=O)N1CCO[C@]2(CCCN(CCCCCI)C2)C1 2214706105 ZCGRPTSRQBVZFC-SFHVURJKSA-N 452.377 3.694 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@]2(CBr)C1 2277916429 NSOVYTFDCWCMBA-YGRLFVJLSA-N 451.984 3.998 50 10 JHGE C[C@@H](Cl)COCc1cn(-c2ccc(Br)c(I)c2)nn1 2278373232 NRMJRIHTKDIJQU-MRVPVSSYSA-N 456.509 3.778 50 10 JHGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc2)cc1OC 2320507356 SHGQBOGTVAAKDB-UHFFFAOYSA-N 468.465 3.970 50 10 JHGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334730 GIZDNHMFEJCQRS-UHFFFAOYSA-N 476.426 3.536 50 10 JHGE CC(C)[C@@H]1C[C@@](C(=O)O)(N(C)C[C@H]2C[C@@H](Br)C2)CN1C(=O)OCc1ccccc1 2350456156 NLKULGJOVPGTRD-LMVRJCEZSA-N 467.404 3.982 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355689259 BAUNPSTUCPDPPG-XTWCZFFVSA-N 467.983 3.694 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2355845376 NYBDPLBFAVMAIY-ANULTFPQSA-N 455.462 3.866 50 10 JHGE CC(C)COc1ccccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14035032 SLUPQZHBYGQLPV-UHFFFAOYSA-N 455.736 3.977 50 10 JHGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 40569369 AMDZLKIMIDGCEB-YLJYHZDGSA-N 470.367 3.960 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCCCI)cc1Br 229631604 MKTQDYDOYIMLNV-UHFFFAOYSA-N 496.990 3.623 50 10 JHGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)COc2ccc(C)cc2)cc1OCC 252614987 JOPMSPCAFYHKIT-UHFFFAOYSA-N 493.354 3.627 50 10 JHGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2ccc(F)cc2)cc(OC)c1OC 252625851 QQIJGMMFZRVWSG-UHFFFAOYSA-N 452.438 3.835 50 10 JHGE COc1ccc(C(=O)NN=C2C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1 254351029 QKYYHSICIKIXTF-UHFFFAOYSA-N 485.382 3.772 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 398745822 SBCJVHRWPRBRJZ-SRVKXCTJSA-N 450.114 3.632 50 10 JHGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(O)c1 686176075 BVVDBPNQYDETTQ-BQKRADJCSA-N 450.114 3.773 50 10 JHGE O=C(Cc1csc(N2CCOCC2)n1)NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 918711021 BNRAEYRWLHRFBK-UHFFFAOYSA-N 481.525 3.815 50 10 JHGE COc1cc(C(=O)NN=Cc2ccc(SCC(=O)Nc3ccccc3)o2)cc(OC)c1OC 1084158573 ZHQAESLZYQUMMS-UHFFFAOYSA-N 469.519 3.800 50 10 JHGE O=C(NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1nc2ccccc2s1 1084312826 AHXGPFDJHHBNNT-UHFFFAOYSA-N 457.471 3.885 50 10 JHGE O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cnc2ccccn2c1=O 1087075807 IGZUDDXTPPILRF-UHFFFAOYSA-N 469.888 3.638 50 10 JHGE CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)C3CCN(C(=O)c4ccco4)CC3)cc2C1 1087423455 URKBWSNYWYMWMG-KRWDZBQOSA-N 457.596 3.806 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1 1674502282 SPFINXALCSCDTP-INIZCTEOSA-N 454.527 3.802 50 10 JHGE CN(C)[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866706124 YCVWPRGHQXNWPP-DNQXCXABSA-N 474.586 3.934 50 10 JHGE C[C@H](NC(=O)c1ccccc1I)c1nnc(CBr)s1 1877558873 SIZLVPDXATXKBI-ZETCQYMHSA-N 452.115 3.529 50 10 JHGE C[C@H]([C@H](Cl)c1ccc(I)c(Br)c1)S(=O)(=O)N(C)C 2029078230 MTKLTLMLRGMKPM-HQJQHLMTSA-N 466.566 3.614 50 10 JHGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(CBr)cc2Br)C1 2059313269 WJAYKCREJWOEFK-UHFFFAOYSA-N 488.245 3.849 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Br)c(Br)s2)C[C@H]1Br 2067182135 HPTYHCZDLCWDOQ-ATRFCDNQSA-N 462.001 3.944 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1(CBr)CCCCCC1 2089699024 RJQQQPDYMNDOMB-UHFFFAOYSA-N 485.444 3.860 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CCC2)[C@H](CBr)C1 2151658318 ABGKXNXDKKDDGY-MRXNPFEDSA-N 497.455 3.526 50 10 JHGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1F 2179787619 RHUCXAITCOYJLM-UHFFFAOYSA-N 452.349 3.786 50 10 JHGE CCn1cc(S(=O)(=O)N2CCC(N(C)Cc3ccccc3)CC2)cc1CBr 2179794697 JRMLSYYSUDJYHU-UHFFFAOYSA-N 454.434 3.688 50 10 JHGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)ccn1 2179820424 XZFOJBDKZFTFBE-UHFFFAOYSA-N 452.418 3.509 50 10 JHGE CCN1CCC[C@@H]([C@H](Br)c2ccc(I)c(C)c2)S1(=O)=O 2207106858 OAIMIBKXGOQEDN-UONOGXRCSA-N 472.186 3.850 50 10 JHGE Cc1cc(C(=O)N[C@H](CBr)C[C@@H]2CCCO2)ccc1I 2207108692 YLZGAIDINMUAFK-STQMWFEESA-N 452.130 3.662 50 10 JHGE O=C(NCC#CCCBr)c1cc(Br)ccc1I 2213553779 CAKONXBHGAGNHH-UHFFFAOYSA-N 470.930 3.572 50 10 JHGE O=C(NCCOCCCI)c1ccc(Cl)c(I)c1 2256392132 STHVYATYVXNTGO-UHFFFAOYSA-N 493.510 3.516 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2OCC[C@]2(CBr)C1 2296378136 OMYCSLBIAKYIAL-OCCSQVGLSA-N 467.983 3.838 50 10 JHGE Cc1csc2nc(Cl)c(C=NNC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CCCC5)n12 2318792690 KCYFXYDDMKOCOY-NSHDSACASA-N 474.999 3.719 50 10 JHGE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)c(Cl)c1 2369477126 PWBLAZLUPZIHEC-CQSZACIVSA-N 477.764 3.897 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 17518444 XUQMIPBHMUVHQR-UHFFFAOYSA-N 486.366 3.584 50 10 JHGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1O)CCC2 40826442 ALVQTDKXASIEDS-OVVQPSECSA-N 461.474 3.803 50 10 JHGE O=C(NN=Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cc2ccccc2cc1O 254555614 BEYVGDFSXQAVFA-UHFFFAOYSA-N 491.481 3.985 50 10 JHGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)o2)cc1 254736689 QIEYELIPBDTLQX-UHFFFAOYSA-N 497.573 3.656 50 10 JHGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3O)nnc2-c2ccccc2)cc1 254849643 QLQJWYOEKODLSL-UHFFFAOYSA-N 489.557 3.987 50 10 JHGE O=C(NN=Cc1ccc2c(c1)OCO2)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 254856081 QBONWRJEMAZDKY-UHFFFAOYSA-N 450.363 3.788 50 10 JHGE CC(C)COC(=O)N1CCC(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)CC1 726134471 HQEKUVFKUGQWJV-UHFFFAOYSA-N 471.529 3.670 50 10 JHGE O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)c1cccc(OCc2cscn2)c1 802582244 HXEHZOSZXWZZLM-UHFFFAOYSA-N 450.545 3.849 50 10 JHGE CCOC(=O)[C@H](C)C(C)=NNC(=O)COc1c(C)cc(Br)cc1Br 1084396562 TZCHZGMCMCLYQD-SNVBAGLBSA-N 464.154 3.590 50 10 JHGE Cc1nc2ccc(Cl)cn2c1C(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 1084536936 MVIOBPXNHXSFSJ-UHFFFAOYSA-N 475.936 3.755 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(F)c(Br)cc2C)cc1 1660960141 WCFSSKPUASSYHL-LBPRGKRZSA-N 452.280 3.719 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772747561 MYGSHLIEIHNZLA-UHFFFAOYSA-N 492.448 3.632 50 10 JHGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)OCCc1ccccc1 1858689493 MODIAKYOODSYSN-UHFFFAOYSA-N 455.398 3.905 50 10 JHGE CCc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1865852061 ONGYAODLMITDDJ-UHFFFAOYSA-N 490.585 3.694 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N1CCCN(Cc2ccccc2)CC1 2059264451 GDYTZIULKIIPAE-UHFFFAOYSA-N 492.233 3.834 50 10 JHGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1cc(Br)c(Br)s1 2072946932 HXLLAIXXYLUKIS-XPUUQOCRSA-N 462.001 3.803 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CC(OCCCBr)C1 2085898259 YCCFZDMWNJZZNE-UHFFFAOYSA-N 462.001 3.899 50 10 JHGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2cc(Cl)cc(CBr)c2F)C1 2123270510 XNPZXNGTCDTIOK-UHFFFAOYSA-N 461.784 3.879 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2132542777 JDJBBDOFUJKFCA-LYIWLLOFSA-N 474.012 3.755 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150957929 IJBHDRAKCQLVNT-QJPTWQEYSA-N 450.114 3.632 50 10 JHGE O=C(N[C@H](CCl)C[C@@H]1CCOC1)c1ccc(I)c(Br)c1 2195497757 SDOOJDLEGRYRPT-ONGXEEELSA-N 472.548 3.818 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2COC[C@]2(CBr)C1 2234566729 LSEOVNXBKRTXEG-OTYXRUKQSA-N 467.983 3.695 50 10 JHGE O=C(C=Cc1ccc(Cl)cc1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 2325890508 PPZBWIMXDWLJGI-UHFFFAOYSA-N 464.934 3.639 50 10 JHGE CC(C)(C)OC(=O)NCc1cccc2c1N(CCOCCI)CCC2 2326639810 ZHJVDKLLRSXRLV-UHFFFAOYSA-N 460.356 3.916 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCCC[C@H]1Br 2338852226 MENRXCUMNBXOPF-VQIMIIECSA-N 485.444 3.716 50 10 JHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1ccc(Cl)cc1I 2340061469 OHBUMXRYTOSLEO-SCZZXKLOSA-N 458.521 3.617 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NCC1(CBr)CC(C)(C)C1 2364021840 KBCXBZBMNGSECO-UHFFFAOYSA-N 472.019 3.876 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=O)c1ccccc1OCc1ccccc1 14030787 LDLVJIXCQIRXDJ-UHFFFAOYSA-N 455.308 3.868 50 10 JHGE COCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 40826833 PJXQTCBGRFCGPM-OVVQPSECSA-N 451.523 3.727 50 10 JHGE CC(CC(=O)NCc1ccc(Cl)cc1)=NNC(=O)COc1ccc(C)cc1Br 252603605 FSKGKXTWCKXKNG-UHFFFAOYSA-N 466.763 3.988 50 10 JHGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3cccc4ccccc34)nnn2-c2nonc2N)cc1 254844345 FFSLXDQGKITFID-UHFFFAOYSA-N 496.531 3.996 50 10 JHGE COc1c(I)cc(I)cc1CBr 307519055 VUDQAEXFDIQKLJ-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE O=C(NCCN1CCC(Br)CC1)c1cc(Br)ccc1Br 321549348 VWBFLTMDXGOPFZ-UHFFFAOYSA-N 469.015 3.801 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2ccc(Br)cc2Br)C1 382023185 PVEOROFDXASKGB-ZJUUUORDSA-N 455.972 3.836 50 10 JHGE O=C(Cl)c1cc(OC(F)(F)F)c(I)nc1I 396183872 SKBMOCFOIKRFBP-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE COC[C@](C)(CBr)N(C)c1ncc(C(F)(F)F)cc1I 686115572 VBWHVFOOOMLKOR-NSHDSACASA-N 467.067 3.941 50 10 JHGE COC[C@](C)(CBr)N(C)C(=O)c1ccc(I)c(Cl)c1 689312013 HURRLDQXAARVNX-ZDUSSCGKSA-N 460.537 3.817 50 10 JHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Cl)c1 725444674 FLOURYNLMUTKEP-UHFFFAOYSA-N 455.967 3.724 50 10 JHGE CC(=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccccc1 1084049835 SKRGDWJYEXFNPK-UHFFFAOYSA-N 473.400 3.834 50 10 JHGE C#Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1 1160416162 NOBJJWULBGULAE-UHFFFAOYSA-N 451.482 3.975 50 10 JHGE C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1674362925 FWGRJZVMKBAVCB-DENIHFKCSA-N 459.550 3.524 50 10 JHGE C[C@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866583893 KMWVOWDTXFHOAY-HNNXBMFYSA-N 452.561 3.981 50 10 JHGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1cc(Br)ccc1Br 1878684944 SUJXBJYVHWIGKI-QPUJVOFHSA-N 455.972 3.741 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1991471604 SFBCEMDYNZYAKI-YDHSSHFGSA-N 480.447 3.788 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H](NC(=O)OC(C)(C)C)COC1(C)C 1993630566 MTBLFZIEIRGUII-HUUCEWRRSA-N 465.682 3.553 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)[C@H](Cl)c1ccccc1 1999367298 YFHQERSIXAHQIW-QGZVFWFLSA-N 455.983 3.845 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC=C[C@@H]1CBr 2056317486 MZWPUJYEUFFIQR-SECBINFHSA-N 459.985 3.536 50 10 JHGE C[C@@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@@H](CBr)O1 2092339366 CYYWOEMZGVKLPG-RKDXNWHRSA-N 455.972 3.836 50 10 JHGE Cc1ccc(I)c(C(=O)N(CCBr)CC(F)(F)F)c1 2232163704 FSFGKWWMUNXONN-UHFFFAOYSA-N 450.036 3.999 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2247281254 IJKWOCQWFNMSQX-UHFFFAOYSA-N 455.455 3.699 50 10 JHGE COCCO[C@H]1[C@@H](Oc2cc(I)ccc2Cl)C[C@H]1Br 2272638780 ITLPDPBTDPHEHX-JIMOISOXSA-N 461.521 3.891 50 10 JHGE COCCN(C[C@H](C)Br)S(=O)(=O)c1cc(Br)ccc1Br 2288058597 FJITZDLWYYPYNA-VIFPVBQESA-N 494.043 3.632 50 10 JHGE CC(C)(CI)CN1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 2306818840 OGQCGINQGAWOOF-UHFFFAOYSA-N 452.377 3.548 50 10 JHGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1C#N 2313568257 QQHJBMKBVZPMHY-UHFFFAOYSA-N 487.297 3.746 50 10 JHGE CC(C)(C)CN(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338851776 HKTXITWFILUHKI-UHFFFAOYSA-N 487.460 3.916 50 10 JHGE Clc1ccc(I)cc1CN1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2352431814 LPWIJYBAKMUGKW-YABSGUDNSA-N 456.549 3.786 50 10 JHGE CC1(C)CN(C(=O)c2ccc(Cl)cc2I)C[C@H](CBr)O1 2365588486 JYKITJVTDKGEHL-JTQLQIEISA-N 472.548 3.959 50 10 JHGE CCOC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)[C@H]1c1cc(OC)c(OC)c(OC)c1 20609287 LYMABCWFQLRRJG-LJQANCHMSA-N 493.541 3.526 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 33504437 GXNMHDUAOPXJEK-BOPFTXTBSA-N 465.428 3.739 50 10 JHGE O=C(NNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-])c1ccc(Br)cc1 40586182 MEDGRVJPKHTLNN-UHFFFAOYSA-N 455.272 3.598 50 10 JHGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccccc3OC)c2[N+](=O)[O-])cc1Cl 40658521 PHVAYDZSMACWDX-UHFFFAOYSA-N 474.861 3.565 50 10 JHGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccccn1 40659088 UXCFFJDSYOAVJE-UHFFFAOYSA-N 482.254 3.640 50 10 JHGE Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813412 HYDFJCAEHPXVSZ-WPWMEQJKSA-N 481.896 3.945 50 10 JHGE COc1cc(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1OC 59333155 CYNIODDYLBMUEP-SFQUDFHCSA-N 456.340 3.722 50 10 JHGE COc1ccc(I)c(CBr)c1I 307180350 OBDULTJZCLYYJG-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE CN([C@H]1COC[C@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 709433746 ZUMFRYNYCKGRSN-XCBNKYQSSA-N 467.994 3.539 50 10 JHGE COc1cc(C(=O)NNC(=O)CCC(=O)c2ccc(C)cc2C)c(Br)c(OC)c1OC 1865760101 GRVREQDKTYNNAU-UHFFFAOYSA-N 493.354 3.516 50 10 JHGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1 1866667132 KTFGKSMLJCHUKD-IBGZPJMESA-N 470.938 3.535 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@H]1OCc1ccccc1 1904301660 VPNOPVVGIFWVIX-UTKZUKDTSA-N 456.630 3.685 50 10 JHGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1nn(C)c(Cl)c1Br 2001994723 YPJPXXANMCGGJG-LBPRGKRZSA-N 479.600 3.888 50 10 JHGE CCOC(=O)Cc1ccc(I)c(CCl)c1I 2055323014 LAVVOIJMOPWLJT-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(O)cc(Br)c1 2061267900 KYDNMPNSUQMAKF-UHFFFAOYSA-N 451.408 3.791 50 10 JHGE O=C(Cc1ccccc1I)N[C@H](CBr)CC(F)(F)F 2087572609 RHDNGGASSNGEAF-VIFPVBQESA-N 450.036 3.666 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1Cl)N1CC2(CN(Cc3ccccc3)C2)C1 2123199956 AOGVXQGJUZGUTG-UHFFFAOYSA-N 455.805 3.741 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2179828654 SHDQGXUBVARHMY-RBUKOAKNSA-N 453.402 3.850 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCS[C@@H](CBr)C1 2256384278 CZZDBNGRYPAAMZ-VIFPVBQESA-N 460.562 3.897 50 10 JHGE CC[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 2306409618 YDHUOHGTQQXNEI-JLTOFOAXSA-N 481.681 3.629 50 10 JHGE CC[C@@H](Br)[C@@H](CC)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821665 IFLSWJDHCYZTQE-QZTJIDSGSA-N 473.433 3.715 50 10 JHGE C[C@@]1(NC(=O)c2cc(I)sn2)C[C@H]2CC[C@H]1C[C@H]2Br 2352769182 UMLQUWSWJXETLM-LOKDSWTASA-N 455.159 3.820 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)c(C)c1 9779590 DSSMENPLALRFFU-UHFFFAOYSA-N 476.154 3.978 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccc(Cl)cc1 14654181 LTJWCQSMDQHMJP-UHFFFAOYSA-N 484.803 3.770 50 10 JHGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 14660589 RFLOOQRGFVCINE-UHFFFAOYSA-N 463.968 3.529 50 10 JHGE N#C[C@H](C(=O)N[C@H](N)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97983085 IWPMAYXJQROQAI-IRLDBZIGSA-O 491.766 3.644 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](CBr)C2)cc1Br 158640028 ZPUBWHIIMTZKIM-VIFPVBQESA-N 476.028 3.926 50 10 JHGE CS(=O)(=O)CCOc1c(Br)cc(Br)cc1CBr 379871408 PQZDVIXZSKVGGZ-UHFFFAOYSA-N 450.974 3.530 50 10 JHGE O=S1(=O)CC[C@@H]([C@H](CBr)Cc2cc(Cl)ccc2I)C1 405524014 KDCNTCJUJJLWLX-KOLCDFICSA-N 477.589 3.933 50 10 JHGE CCCC(=O)OCc1ccc(S(=O)(=O)NCCCl)cc1NC(=O)OCc1ccccc1 585665770 BWSVZHXRCGJZSX-UHFFFAOYSA-N 468.959 3.796 50 10 JHGE C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)CC(=O)N2C 728278473 HDGKRFJQLCAZAV-OVBDPADQSA-N 464.529 3.767 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2S(=O)(=O)c2ccc(CBr)cc2)C1 1260505364 BSJVQNGHZQLFSL-LJQANCHMSA-N 459.406 3.746 50 10 JHGE C=C(C)CCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1587581439 AZGHOUHWVKIYMK-UHFFFAOYSA-N 455.458 3.624 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1 1671065399 ACYIXNMXHMLNAW-KRWDZBQOSA-N 457.490 3.824 50 10 JHGE Cc1cc(OCC(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)c(Br)c(C)c1Cl 1772756519 KFMARUPFPOSUFC-UHFFFAOYSA-N 456.680 3.862 50 10 JHGE CC(C)Oc1cccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 1860770093 SMNCOYHCAVZARJ-VAWYXSNFSA-N 488.569 3.773 50 10 JHGE CCN(CC)Cc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860774449 XLAMOELZEDOMKF-MWQSPYHUSA-N 465.623 3.890 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](I)C1 1901577326 VMOVGIQMFAPUEV-MRVPVSSYSA-N 461.468 3.594 50 10 JHGE CC[C@H](C)[C@H](CI)NC(=O)c1ccccc1I 2023036564 AWDUETCXCPSMEE-CABZTGNLSA-N 457.093 3.871 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1cc(Br)sc1Br 2036683933 VHBYRUHTNPFDIY-BQBZGAKWSA-N 462.001 3.945 50 10 JHGE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 2042446438 WPSBNCUEQNBCGC-UHFFFAOYSA-N 467.503 3.506 50 10 JHGE CCOC(=O)c1cc(I)c(CCl)cc1I 2055328624 LAQNPUMGELGLMX-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@H]2Br)cc1Br 2076168160 WISVMLGMHXBYJC-VXNVDRBHSA-N 462.001 3.582 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189070073 ZZQKXALBYBWGJH-YFKFIEJBSA-N 467.983 3.694 50 10 JHGE C=C[C@@]1(CCl)COCCN1C(=O)c1cc(I)ccc1Br 2199878792 RKSMVCZSWLXFFT-CQSZACIVSA-N 470.532 3.690 50 10 JHGE CN1CCC(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC1 2214840034 ABCHWMNSPGRUGV-SFHVURJKSA-N 452.377 3.550 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](OCCOCCOc2ccccc2)[C@H](I)C1 2278386861 KPWNOQHEWVMCQJ-SJORKVTESA-N 477.339 3.522 50 10 JHGE N#CC(=Cc1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)NC1CCCC1 2294171930 KKHLPHPHFJQBOM-UHFFFAOYSA-N 472.133 3.641 50 10 JHGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 2296723200 ZSYGZOBHKLQIMO-HXUWFJFHSA-N 458.518 3.614 50 10 JHGE O=C(C=Cc1ccc(F)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 2313617180 MAFLUWGDXZFFMF-UHFFFAOYSA-N 468.554 3.693 50 10 JHGE CC[C@@H](C)[C@H](CI)NC(=O)Cc1ccc(OC)cc1Br 2364184741 QPTZVSBDVFZEEB-YGRLFVJLSA-N 454.146 3.966 50 10 JHGE CC1(C)CC[C@@H](CCl)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364216275 ZMUODQRFPJRABE-KRWDZBQOSA-N 455.020 3.902 50 10 JHGE N#CC(C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)=C1Nc2ccccc2N1 2633447 WODAUHAIGFSCCJ-UHFFFAOYSA-N 462.469 3.933 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1 14649780 GRKMUXUYWJCNKS-UHFFFAOYSA-N 462.344 3.808 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CC2CCCC2)c(Br)c1 100431744 XUPVYPNKKVFQOA-UHFFFAOYSA-N 456.406 3.554 50 10 JHGE CC1(C)C[C@@H](N=C=O)C[C@](C)(CNC(=O)Nc2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)C1 170290082 SVDSYRDNWDMZPN-CMJOXMDJSA-N 460.579 3.745 50 10 JHGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2)cc1OC 207106654 JTRVIVITUGYWJN-GTMSFJRYSA-N 464.518 3.772 50 10 JHGE CCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207228955 NOMDLZKSXLWNFR-RRIVUJLESA-N 476.529 3.869 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(O)cc3O)cc2OCC)cc1 254744018 KRIPSMGRQNOFLT-UHFFFAOYSA-N 464.474 3.878 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)cc3)cc2OC)cc1 254876911 QTVDXPZVAORCFS-UHFFFAOYSA-N 475.501 3.710 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c(C)n1-c1ccc(F)cc1 747162727 IDNANAZGGXWNFE-ZLKNRPIFSA-N 489.473 3.830 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc(OC)c1O 1084141157 SPQNSONLEJFURY-UHFFFAOYSA-N 465.344 3.999 50 10 JHGE O=C(NN=Cc1ccc(Br)o1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1084585171 ASQNZKKDSODBPK-UHFFFAOYSA-N 457.240 3.967 50 10 JHGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Cl 1084629013 ZECVVFOPCSNDBD-GOSISDBHSA-N 453.322 3.899 50 10 JHGE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)C1CC1 1540361516 CDMLKMGDNNGONN-OAQYLSRUSA-N 453.926 3.594 50 10 JHGE C=CCn1cc2ccc(NC(=O)NNC(=O)[C@@H](C)Oc3cccc(Br)c3)cc2n1 1563300781 UHQIRBDGZUVADZ-CYBMUJFWSA-N 458.316 3.605 50 10 JHGE Cc1c(C(=O)Nc2cccnc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747921 SUOZFZGMCZYGAV-UHFFFAOYSA-N 468.311 3.863 50 10 JHGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711522 AQVLDULMHMCSDE-JOCHJYFZSA-N 462.506 3.687 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1cc(CBr)ccc1Br 1887893765 UKJHFECERQTSPH-ONGXEEELSA-N 476.028 3.748 50 10 JHGE C=C[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 1993700221 YBZXDUGZWYDVNS-MRVPVSSYSA-N 458.919 3.733 50 10 JHGE O=C(CBr)c1cc(I)cc(OC(F)(F)F)c1[N+](=O)[O-] 2055116259 OMNBCGFQTGHAMK-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCOC[C@H]1CCBr 2094095636 OKGZOORJKKDABD-SECBINFHSA-N 455.972 3.838 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)N2CCC(Br)CC2)CC[C@H]1C(F)(F)F 2163051239 RBWYRYFWUGSAHT-OLZOCXBDSA-N 458.319 3.743 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2167014390 ZZSNSQAOCFUWPB-FUHIMQAGSA-N 497.455 3.811 50 10 JHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC2(CC2)C1 2180025741 KEXOAVJDKQMYJD-UHFFFAOYSA-N 459.406 3.603 50 10 JHGE C[C@](CI)(OCC1COCCOC1)c1ccccc1Br 2203700072 AZHMAJQDVIRRQJ-OAHLLOKOSA-N 455.130 3.779 50 10 JHGE ClC[C@@H]1CC[C@@H]2CN(c3ncc(I)cc3Br)C[C@H]2O1 2273665477 RCKQNVGLIAQQID-UBHAPETDSA-N 457.537 3.671 50 10 JHGE C=CC[C@]1(CBr)CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2287846643 NCOYTJGJKMNXEJ-JOCHJYFZSA-N 497.455 3.978 50 10 JHGE C[C@H]1CC[C@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338853006 UWTZIKNUCSOQPH-DLBZAZTESA-N 485.444 3.668 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361462297 HYEJMRZXFNPZES-RNFRBKRXSA-N 457.131 3.990 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2CC[C@H](Cl)[C@@H]1C2 2364211664 PAUMNAZUGVWBTD-UXPWSPDFSA-N 453.004 3.655 50 10 JHGE Cc1cccc(C)c1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 12403480 JHCXKFRGMDGXRG-UHFFFAOYSA-N 463.372 3.969 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1 13621177 AGYSDORFJMXWOL-YBYKNVHQSA-N 455.580 3.713 50 10 JHGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c1 14644923 KOGOAWJPAHQLLK-UHFFFAOYSA-N 494.411 3.589 50 10 JHGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccncc2)CCC3)cc1 40814003 WVGBQOHZJPOHHQ-TURZUDJPSA-N 460.490 3.882 50 10 JHGE Cc1c(C(=O)NCCC(C)C)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823140 WLKGQSMHVCWMOO-PCLIKHOPSA-N 461.360 3.992 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3nc4ccccc4s3)c3ccccc32)cc1 59147860 FHAPFQIHPSUADB-SLMZUGIISA-N 469.526 3.724 50 10 JHGE O=C1NCCOc2ccc([C@@H](Br)c3ccccc3I)cc21 228233786 DJQWXMYBKPKOOW-OAHLLOKOSA-N 458.093 3.898 50 10 JHGE CCOc1cc(C=NNC(=O)/C(=C/c2cc(OC)ccc2OC)NC(=O)c2ccccc2)ccc1O 254292058 GOQMQYIYJWJIBN-HQYUYLDOSA-N 489.528 3.729 50 10 JHGE CCCCCCN1C(=O)C(=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21 254514626 WQSAPBLGRPQQTE-UHFFFAOYSA-N 491.617 3.784 50 10 JHGE COc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 254591748 PBUOMOLPZZJPDJ-PEQQGGNOSA-N 460.486 3.852 50 10 JHGE O=C(NC1(C(=O)CBr)CCN(Cc2ccccc2)CC1)OCCC(F)(F)F 686910546 WWZOLJWDPVFQHL-UHFFFAOYSA-N 451.283 3.664 50 10 JHGE COC[C@](C)(CCl)N(C)C(=O)c1ccc(I)c(Br)c1 721510830 PUPYGDZXMDHNEP-ZDUSSCGKSA-N 460.537 3.770 50 10 JHGE C#CC[C@]1(C(=O)NNc2c(F)cc(F)cc2Br)CCCN1C(=O)OC(C)(C)C 1523586854 NGKXNVUYCVIACG-LJQANCHMSA-N 458.303 3.963 50 10 JHGE C#CCN(CCBr)S(=O)(=O)c1cc(Br)c(C)cc1Br 2097962414 QLRMDTQGGVAIJG-UHFFFAOYSA-N 474.012 3.539 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCO[C@H](CCBr)C1 2116237942 ILMDJWNFSOWZRW-SNVBAGLBSA-N 455.972 3.838 50 10 JHGE C[C@H](Cl)[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CCO1 2142288210 JARSATTXICQBFN-UFBFGSQYSA-N 458.521 3.522 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1Cc1ccc(I)c(Cl)c1 2142949631 LJBURFAVRRPZNQ-VXGBXAGGSA-N 457.581 3.844 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2162592512 VHNAJVIPCDZHQT-HZPDHXFCSA-N 461.422 3.943 50 10 JHGE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2162602450 OTWXDJXJISQOTD-GOEBONIOSA-N 461.422 3.943 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CCCC12CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2163059078 QEAQNNYSSCFFQY-MRXNPFEDSA-N 459.406 3.649 50 10 JHGE COc1ccc(S(=O)(=O)N2CCC[C@@H](OCc3ccccc3)C2)cc1CBr 2186380677 KHLRNIIIIYITEV-GOSISDBHSA-N 454.386 3.960 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2279522571 OKEQMBYPGCJIHB-HLIPFELVSA-N 497.455 3.811 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(CCOCCI)CC1 2306803120 VQGFQGNOYZJQGB-INIZCTEOSA-N 452.377 3.550 50 10 JHGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12 2328796477 AGAVRGIASYMHLJ-INIZCTEOSA-N 450.923 3.909 50 10 JHGE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)cc2)n1 2329662187 ZDBLFUXCJHXUBW-UHFFFAOYSA-N 498.362 3.894 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2355845379 NYBDPLBFAVMAIY-MXEMCNAFSA-N 455.462 3.866 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CBr)c1cc(I)ccc1F 2361669626 MXBXSCCONWVGKK-UHFFFAOYSA-N 471.989 3.826 50 10 JHGE CN(C)S(=O)(=O)c1ccc(C(=O)N(/N=C/c2ccco2)c2nc3ccc(F)cc3s2)cc1 9148826 BQRYRHBRJGKEJO-YDZHTSKRSA-N 472.523 3.960 50 10 JHGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)c1ccccc1Br 14018147 VMLQXBUDRDTPMD-OUKQBFOZSA-N 454.349 3.951 50 10 JHGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1 14643069 UTNCDTHBZXUWCN-CYBMUJFWSA-N 455.736 3.713 50 10 JHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C1=O 38608989 ZUNSBWCCHOTYQL-PCLIKHOPSA-N 488.540 3.746 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 38683336 MYIXOVZXIYLEDH-VWLOTQADSA-N 470.481 3.984 50 10 JHGE O=C(Cc1ccccc1)NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-] 40659426 YAOMXBNAPKUGAE-UHFFFAOYSA-N 455.478 3.804 50 10 JHGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 59882615 UODVKISGDYUJDD-CQSZACIVSA-N 488.411 3.981 50 10 JHGE COC[C@@H](CCBr)NC(=O)c1cc(Br)ccc1I 228237119 AMWDJEHXHDWURM-SECBINFHSA-N 490.961 3.584 50 10 JHGE COc1ccc(C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1OCc1ccccc1 254486840 QLUFXNBBFBLWCZ-UHFFFAOYSA-N 487.541 3.882 50 10 JHGE FC(F)(F)c1cnc(N2CCOC[C@@H]2CCBr)c(I)c1 686112427 ROCFVTBSCAIWGD-VIFPVBQESA-N 465.051 3.695 50 10 JHGE COC[C@@](C)(CBr)N(C)S(=O)(=O)c1cc(Cl)c(Br)s1 689230900 GGRUPVZTQVCCOU-SNVBAGLBSA-N 455.621 3.585 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NC2CCN(Cc3ccccn3)CC2)c(-c2ccccc2)n1 918608083 BJKXZMDMAXMKJX-XLNRJJMWSA-N 465.561 3.547 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2cccc(SC)c2)cc1 920848610 FXXXTQAWEFBXGF-ATVHPVEESA-N 461.547 3.702 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Cl)cc2Br)cc1 1675282774 ATQYUVUVNQKZIA-NSHDSACASA-N 454.708 3.925 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)c1ccccc1Br)c1ccc(Br)cc1 1683681814 WNMJRLFEJRFJOL-OAHLLOKOSA-N 451.118 3.530 50 10 JHGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(I)sn1 1909914412 HEUPHIPYUZXWKR-GFCCVEGCSA-N 495.180 3.800 50 10 JHGE Cc1cc(CCl)nc(-n2c(C)nc(I)c2I)c1 1941546056 QTCALASKIILOJR-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE C[C@H](Br)[C@H]1C[C@H]1NC(=O)c1cc(Br)ccc1I 2011205841 XZLUPKIEYFJDNE-FMTFEUNWSA-N 472.946 3.955 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2C[C@@]23CCOC3)CC1 2021276674 LQLGAOLGMLLIRL-RHSMWYFYSA-N 451.345 3.634 50 10 JHGE CCOC(=O)c1ccc(I)c(I)c1CBr 2055218755 LLMHTLKNNXBQTA-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE COC(=O)Cc1cc(CBr)cc(I)c1OC(F)(F)F 2055376840 PRYMKCZEOQATFS-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE N#CC(=Cc1ccccc1)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 2077517577 XCKLBXMXRPAACR-JOCHJYFZSA-N 451.935 3.973 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2scc(Br)c2Br)[C@@H]1Br 2078742735 BCKCOOVHLHMVIX-RCOVLWMOSA-N 462.001 3.944 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1cccc(CCCBr)c1 2089707177 KXPURDHOVHILBN-UHFFFAOYSA-N 479.396 3.832 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC[C@H](Br)C1 2107487981 VVSHOXLDNNPQEA-HOTGVXAUSA-N 485.444 3.572 50 10 JHGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(CCBr)s1 2123242722 AAQPGJUJGYVDQS-UHFFFAOYSA-N 454.415 3.751 50 10 JHGE O=C(Cc1ccccc1I)N1CCC(F)(F)[C@H](CBr)C1 2143872893 LTMOOXAXMUZKNC-LLVKDONJSA-N 458.084 3.712 50 10 JHGE O=S(=O)(C1CCC(CBr)CC1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179827173 BDISKAJKDOKTNY-DQVLVPHSSA-N 455.462 3.868 50 10 JHGE CCN1CCC[C@H]([C@@H](Br)c2ccc(I)c(C)c2)S1(=O)=O 2207106857 OAIMIBKXGOQEDN-KGLIPLIRSA-N 472.186 3.850 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)Cc1ccsc1Br 2218986797 BEKUZNYTSCNGOT-SCZZXKLOSA-N 466.204 3.780 50 10 JHGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc3sccc3C(N)=O)c2C)cc1 2297335578 RPSSYQYGWNKAJQ-UHFFFAOYSA-N 492.557 3.742 50 10 JHGE COC(=O)c1ccccc1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2318462302 GHLLLNSTWAFNOI-UHFFFAOYSA-N 461.259 3.844 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1Cc1ccc(Cl)c(I)c1 2337219252 QXMYEOQTPJPYDX-NWDGAFQWSA-N 457.581 3.844 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H](CBr)C(C)(C)C 2338679255 JMPCXQXZXXTSCO-ZETCQYMHSA-N 460.008 3.732 50 10 JHGE C[C@@H](CCl)N1CCN(Cc2ccc(I)c(Br)c2)CC1 2349861523 XWNCHKBGBKWUDV-NSHDSACASA-N 457.581 3.799 50 10 JHGE Clc1ccc(I)cc1CN[C@@H]1CCCN(CCBr)C1 2352416787 ZMXDNTHIRPFBHP-CYBMUJFWSA-N 457.581 3.894 50 10 JHGE CO[C@H]1[C@@H](CBr)N(Cc2ccc(Cl)c(I)c2)C[C@H]1OC 2362368357 MLIPVPQWKICVML-MCIONIFRSA-N 474.564 3.554 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 14019202 SZGGYQTUWXWLEW-UHFFFAOYSA-N 498.171 3.925 50 10 JHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CCCC)cc1 14032448 NQAJBIJXOKPGLX-UHFFFAOYSA-N 470.595 3.944 50 10 JHGE Cc1ccc(-c2c(C(=O)NN=Cc3ccc(OCc4ccccc4)cc3)nnn2-c2nonc2N)cc1 254818792 APPCQIRJTHHJPR-UHFFFAOYSA-N 494.515 3.551 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NNC(=O)NCCc2cccs2)c(-c2ccc(Cl)cc2)n1 920859362 HZPFVSCFJSTDFX-LGMDPLHJSA-N 493.980 3.659 50 10 JHGE COCCNC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 1772751893 PJXQTCBGRFCGPM-UHFFFAOYSA-N 451.523 3.727 50 10 JHGE COC[C@@](C)(CCl)CNC(=O)c1ccc(I)c(Br)c1 1926995184 NOJITSQDGWRLLF-ZDUSSCGKSA-N 460.537 3.675 50 10 JHGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123243425 JLWFWXQSEBUCJY-IAGOWNOFSA-N 455.443 3.704 50 10 JHGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2128678418 GQNIGIJDJOTJLG-ROUUACIJSA-N 485.444 3.667 50 10 JHGE CN1CCN(C(=O)c2cc(Br)sc2Br)[C@@H](CCBr)C1 2138083599 OUJJDBDJLFEROZ-QMMMGPOBSA-N 475.044 3.814 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NC(=O)N1CCC(Br)CC1)C2 2162870436 FBKQLIXKAWTGER-CLYVBNDRSA-N 464.426 3.607 50 10 JHGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCBr)cc1 2179787364 NNFLYPFUZFRVCP-GOSISDBHSA-N 451.430 3.909 50 10 JHGE O=S(=O)(c1cc(F)ccc1CBr)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188883693 IEHDZLTXTNNJBB-HKUYNNGSSA-N 453.377 3.616 50 10 JHGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1 2297335467 CFFHSQKQDNJOEN-UHFFFAOYSA-N 473.485 3.920 50 10 JHGE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNNC(=O)C12CC3CC(CC(C3)C1)C2 2297561909 WVOVIDLNJCAAMK-UHFFFAOYSA-N 457.372 3.893 50 10 JHGE NNC(=O)[C@H]1C[C@@H]1CCCSc1cc(I)ccc1Br 2338341475 MOLFDFBLEXVKOJ-WPRPVWTQSA-N 455.159 3.552 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@@H](CBr)C1 2338851148 CXMQMHLLYUXKGW-KRWDZBQOSA-N 485.444 3.670 50 10 JHGE Clc1ccc(I)cc1CN[C@H]1CCCN(CCBr)C1 2352416788 ZMXDNTHIRPFBHP-ZDUSSCGKSA-N 457.581 3.894 50 10 JHGE C[C@H](Cl)C(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 35908299 CKPIXEHMZJGSKH-SFHVURJKSA-N 460.969 3.682 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 38656935 RADMWBNXWAQFBF-AREMUKBSSA-N 488.496 3.915 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814777 YXJGUAYUOSTXOF-XIEYBQDHSA-N 492.448 3.632 50 10 JHGE O=C(CCCCCCCC(=O)NNc1ccc([N+](=O)[O-])cc1)NNc1ccc([N+](=O)[O-])cc1 59498221 QTCIAVOEJISKSR-UHFFFAOYSA-N 458.475 3.820 50 10 JHGE CCOC(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(C)c21 101618633 VCMPMORYDRIFFD-ZVHZXABRSA-N 497.335 3.521 50 10 JHGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1 217187216 PUZLECDIPPIINI-KTXUMSRNSA-N 476.577 3.525 50 10 JHGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(O)c3)nnc2-c2ccccc2)cc1 254906400 RTIBDAPUKAXGBM-UHFFFAOYSA-N 489.557 3.987 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCN2C[C@H](Br)C[C@H]2C1 405278611 UCYOXNYBKWTCFW-OLZOCXBDSA-N 466.999 3.505 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)Cc2ccccc2C)nnc1-c1ccc(Cl)cc1 1525290366 RJOIRCWPKSUBGN-UHFFFAOYSA-N 455.971 3.575 50 10 JHGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(F)cc4F)nc3C)cc2C1=O 1865759920 YOEGEPDTJWEBLS-CYBMUJFWSA-N 492.482 3.805 50 10 JHGE C[C@H]([C@@H](Br)c1cc(Br)cc(Br)c1)S(=O)(=O)N(C)C 2029074359 JUHSNCJXHUDHOP-RDDDGLTNSA-N 464.017 3.928 50 10 JHGE O=C(NCC[C@@H]1COC[C@H]1Br)c1c(Br)cccc1Br 2111328605 NGJSAKORILOBCY-LDYMZIIASA-N 455.972 3.741 50 10 JHGE O=S(=O)(c1cc(F)c(Cl)c(CBr)c1)N1CCN(Cc2ccccc2)CC1 2123266940 BBOADIQKPHLIAP-UHFFFAOYSA-N 461.784 3.881 50 10 JHGE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CBr)cc1 2163057269 ZUKDLGKKOSBONH-GDBMZVCRSA-N 461.422 3.895 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@]2(CCl)CCC[C@@H]12 2165236979 VVGQSDNGWGSCNP-GCJKJVERSA-N 453.004 3.512 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(c2ncc(C(F)(F)F)cc2I)C1 2165322046 IHMWVDBOOCMCFR-BDAKNGLRSA-N 465.051 3.694 50 10 JHGE C[C@@H](c1nscc1Br)N(C)S(=O)(=O)CCC(F)(F)CBr 2186593477 UWUMYLQUZROJFB-ZETCQYMHSA-N 456.172 3.649 50 10 JHGE O=C(N[C@@H](CCl)C[C@H]1CCOC1)c1ccc(I)c(Br)c1 2195497754 SDOOJDLEGRYRPT-MWLCHTKSSA-N 472.548 3.818 50 10 JHGE BrC[C@@H]1CO[C@H]2CN(Cc3ccc(Br)cc3Br)C[C@@H]2O1 2279861418 FVODKPIDLIWOPA-XBFCOCLRSA-N 469.999 3.575 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2283653275 DWXROIAYGUKFTF-TVYUQYBPSA-N 470.532 3.712 50 10 JHGE COCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)CC(C)(C)CI 2306818822 OAKSFGPNUWVTBL-OAHLLOKOSA-N 454.393 3.796 50 10 JHGE CC(=O)OCCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314620736 UAJJPFOCHQPYJV-UHFFFAOYSA-N 462.477 3.950 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1Br 2338852214 MCSYIKGFGRWHCY-RTBURBONSA-N 485.444 3.859 50 10 JHGE COCCO[C@@H]1[C@H](Cl)C[C@H]1OCc1cc(I)ccc1Br 2367611401 OYLDAKCOUOCXEC-MGPQQGTHSA-N 475.548 3.982 50 10 JHGE CCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2ccccc2)c(SC#N)c1C 9912130 ATAMQRATPKUDJA-UHFFFAOYSA-N 452.579 3.999 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)cc1 10671544 SLRQSEPJYCXQSN-OAHLLOKOSA-N 456.568 3.552 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 12501464 WCNUKCLZZZDOAK-UHFFFAOYSA-N 453.351 3.681 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 13621173 HCHNBBIAARCTCA-LICLKQGHSA-N 488.569 3.687 50 10 JHGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 59882617 UODVKISGDYUJDD-AWEZNQCLSA-N 488.411 3.981 50 10 JHGE O=C(N/N=C1\CC(=O)c2ccccc21)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 105816798 XPJARKJHYYAFLI-HIXSDJFHSA-N 498.358 3.970 50 10 JHGE CC1(C)C[C@@H](NC(=O)Nc2[nH]nc3c2CCN(C(=O)OC(C)(C)C)C3)C[C@](C)(CN=C=O)C1 170290054 NHLWKHFYKYKRSL-CMJOXMDJSA-N 460.579 3.745 50 10 JHGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2cccnc2)cc1I 1083933269 QIPSNMCYTQENRC-UHFFFAOYSA-N 482.281 3.901 50 10 JHGE C=C(CBr)CN(Cc1ccccc1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1615939635 VDBBMSRYPBYTKM-UHFFFAOYSA-N 455.356 3.537 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772748675 WGUZCMCXKFNFSZ-UHFFFAOYSA-N 465.441 3.863 50 10 JHGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(OC)c(O)c(OC)c1 1865714704 NZEXYTNFSRGQMM-FQEVSTJZSA-N 462.506 3.910 50 10 JHGE C[C@@H](Cl)CNC(=O)c1cc(O)c2cc(Br)cc(I)c2n1 1866532877 BYCLSVLSBXHRAF-ZCFIWIBFSA-N 469.504 3.665 50 10 JHGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179827737 IPWZQFVQTFFFSP-QZTJIDSGSA-N 465.404 3.723 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](O[C@@H]2CCN(Cc3ccccc3)C2)C1 2242049439 KWBQMJBJVRYWEZ-KZNAEPCWSA-N 472.367 3.700 50 10 JHGE COc1ccc(N2CCN(C(=O)COC(=O)C(C#N)=Cc3cc(C)n(CCC(C)C)c3C)CC2)cc1 2297486950 LTAPHMWSEDVUCB-UHFFFAOYSA-N 492.620 3.959 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCN(Cc2ccccc2)C1 2305337742 ZJSOACQWEJSBHG-JOCHJYFZSA-N 469.673 3.602 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)cc1Br 2313621036 HDRMYUQTBXUWIL-UHFFFAOYSA-N 452.761 3.760 50 10 JHGE COc1ccc(C=C(C#N)C(=O)Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3s2)cc1 2329622572 HKRVAGKALRPFNV-UHFFFAOYSA-N 470.576 3.785 50 10 JHGE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NS(=O)(=O)c2ccc(CBr)cc2)C1 2361527641 OHDCNNXFHGFDRC-MRXNPFEDSA-N 469.348 3.505 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](C2CCC(Cl)CC2)C1 2381286951 GTWIOVPVIXQSTG-ADKAHSJRSA-N 453.004 3.512 50 10 JHGE O=C(CNc1cc(Br)c(Br)cc1Br)N/N=C/c1cccnc1 3086805 KJMFLPLJOWOKFU-IFRROFPPSA-N 490.981 3.931 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)Nc1ccc(F)cc1 10736863 ZDLZQYSBFNYHGS-UHFFFAOYSA-N 480.521 3.501 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2F)c(Br)c1 14037650 LEPHTNYQLVJLAQ-UHFFFAOYSA-N 482.375 3.600 50 10 JHGE COc1ccccc1OCC(=O)NNC(=O)c1ccc(OCCC(C)C)c(Br)c1 14645668 WHGXRURYTMWNNF-UHFFFAOYSA-N 465.344 3.723 50 10 JHGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccccc1 14668177 RVIPZDMLRUMOTP-UHFFFAOYSA-N 476.371 3.692 50 10 JHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(I)cn1)[C@@H](Br)C2=O 26570364 VYXLLXKRHJBXFH-XZJROXQQSA-N 477.140 3.784 50 10 JHGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4F)c(C)c32)c1 101593254 IKPDKCRCQBNAQI-ZXVVBBHZSA-N 462.481 3.581 50 10 JHGE COc1cc(C=NNC(=O)CCN2CCN(c3ccccc3)CC2)ccc1OCCC(C)C 254619500 RDJCMPNKOGGFMX-UHFFFAOYSA-N 452.599 3.783 50 10 JHGE O=C(CNC(=O)c1ccc(F)cc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 254825095 AIYFADPZNRUEHA-UHFFFAOYSA-N 459.456 3.698 50 10 JHGE C[C@H](Br)[C@@H](C)NC(=O)c1cc(Br)ccc1I 386998927 LQKWBXMJUCSVSE-NKWVEPMBSA-N 460.935 3.955 50 10 JHGE CC1(C)C[C@H](Br)C[C@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703966173 CVQJWLFOWJCDFH-CABCVRRESA-N 485.444 3.570 50 10 JHGE O=C(c1cccc(F)c1I)N(CCBr)CC(F)(F)F 721666242 XTRBRLDLYLMKHU-UHFFFAOYSA-N 453.999 3.830 50 10 JHGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)c2)cc1 727377280 FEGBCDKBACQEMG-RUZDIDTESA-N 458.514 3.552 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=C(C)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1084015464 LTFCUDKJEIZAFE-UHFFFAOYSA-N 496.545 3.729 50 10 JHGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1 1084091363 JIANOKUQQGQBSY-UHFFFAOYSA-N 479.558 3.854 50 10 JHGE C#CCCCC(=O)NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 1304009976 JWSFUPXKNWHFPX-UHFFFAOYSA-N 453.955 3.631 50 10 JHGE O=C(/C=C/c1ccc(F)cc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858958853 ULOZZIMSFWCSBY-LHHJGKSTSA-N 499.476 3.541 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccccc2)cc1 1866856746 MTUZAVSHDMXRIK-FQEVSTJZSA-N 466.469 3.973 50 10 JHGE CC(C)n1ncc(Br)c1C[C@@H](Br)CN1C(=O)c2ccccc2C1=O 1905342056 HCQYSRYPOLJGBS-LLVKDONJSA-N 455.150 3.829 50 10 JHGE CN(C)S(=O)(=O)C[C@@H](Br)c1scc(Br)c1Br 1936584871 XKFNNKBHDBTLLO-ZCFIWIBFSA-N 456.019 3.601 50 10 JHGE CC[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 1995286266 QXHVWNSDBDFCCY-QMMMGPOBSA-N 460.935 3.957 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CCO[C@H](CCBr)C1 2052690733 XWYBWEIGZIASNN-SSDOTTSWSA-N 462.001 3.899 50 10 JHGE COC(=O)c1c(I)cc(CBr)cc1I 2055328555 KGFWFQPJAACANM-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE O=C(c1cc(I)sn1)N1CCC[C@@]2(CBr)CCC[C@@H]12 2120030149 BDGSUEMALNPXIE-ZWNOBZJWSA-N 455.159 3.918 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@H](Br)CC2(CCC2)C1 2151350072 YPQUZEPLQADYIE-LLVKDONJSA-N 450.114 3.777 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CC12CCC2 2162602914 RWATXCWJLAEAMJ-OAHLLOKOSA-N 459.406 3.792 50 10 JHGE C[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2164467098 ORTNIRZMNMBHGZ-LSDHHAIUSA-N 461.422 3.990 50 10 JHGE O=C(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1ccc(I)cc1 2192584060 WNWXUDWGRLWLST-CMPLNLGQSA-N 462.047 3.985 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCO[C@@H]2C[C@@H](Cl)C[C@H]21 2207263546 YVFWDTVKEKUCRT-ZWKOPEQDSA-N 470.532 3.665 50 10 JHGE O=C(Cc1ccc(Br)cc1Cl)NCCOCCCI 2229148117 QSAXUAWDYDUWHJ-UHFFFAOYSA-N 460.537 3.603 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@@]21CCC[C@H](CI)O1 2249364218 MXBLOYCOCPMASL-VAVSNJLASA-N 451.345 3.679 50 10 JHGE CN(C(=O)c1cc(I)sn1)[C@H](CBr)c1ccccc1 2278821005 ANCKRCWQWROIFX-LLVKDONJSA-N 451.127 3.956 50 10 JHGE CN(C(=O)c1cc(I)sn1)[C@H](CBr)Cc1ccccc1 2296332158 NGCBIJKWIYOABO-NSHDSACASA-N 465.154 3.826 50 10 JHGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O 2296719419 OALCBOFFBCZYKE-UHFFFAOYSA-N 466.925 3.898 50 10 JHGE COc1ncc(Cl)cc1CO[C@@](C)(CI)CNC(=O)OC(C)(C)C 2301822868 MNEXUFWFSWSAEV-INIZCTEOSA-N 470.735 3.979 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC2(CC[C@H](CBr)O2)C1 2361987956 NIUCWSWHNUTAHQ-SNVBAGLBSA-N 470.532 3.713 50 10 JHGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 14020692 HDEFFSNXXBISHA-UHFFFAOYSA-N 476.558 3.595 50 10 JHGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039705 WCGFULGBGNEDDO-UHFFFAOYSA-N 499.976 3.512 50 10 JHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 14641566 OBQOEGKYHVATFN-LBPRGKRZSA-N 470.378 3.885 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C)cc1 14650279 OQXSTYYIXOUCSU-UHFFFAOYSA-N 464.385 3.886 50 10 JHGE CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 33932928 PPGDSHFRRFASSX-DEDYPNTBSA-N 461.518 3.774 50 10 JHGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Cl)cn1 40779484 GIOUIVFQNZRZLT-UHFFFAOYSA-N 454.705 3.680 50 10 JHGE 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)CSCCN=C=S 118939120 WTZZZLTVUGGSLC-APCKRRERSA-N 493.666 3.739 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1cc(Br)c(Br)s1 122133800 KIEIEEXYKKLOQV-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H](CCl)O1 235666376 LPEZXUQFCDBKET-WCBMZHEXSA-N 458.521 3.522 50 10 JHGE O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OC2CSC2)cc1 254704920 ZMMCEEIKKLENKL-UHFFFAOYSA-N 499.589 3.666 50 10 JHGE O=C(CBr)c1cc(I)c(F)cc1I 307434767 PFAYLLVKWKJGTJ-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE CCN(CCOCCCl)C(=O)c1cc(Br)ccc1I 388584725 XCNQPMRPNVLNKE-UHFFFAOYSA-N 460.537 3.771 50 10 JHGE O=C(c1scc(Br)c1Br)N1CCOC[C@H]1CCBr 705447672 JQQWFAXMEWMQEC-SSDOTTSWSA-N 462.001 3.899 50 10 JHGE CCC[C@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCc2sccc2C1 727230529 XXWSEJCIALUVMN-IBGZPJMESA-N 456.612 3.743 50 10 JHGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)cc1O)C(C#N)=C(N)O2 1865681410 MTEXLFPAUZGDEF-GOSISDBHSA-N 453.296 3.827 50 10 JHGE Brc1ccc(I)cc1CO[C@H]1COC[C@@H]1Br 1902312737 ICTHETRZYHHMOV-QWRGUYRKSA-N 461.919 3.733 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc(I)cc1C[C@@H](O)CBr 1952368901 FCVYLWCMMFLDGV-LLVKDONJSA-N 456.118 3.937 50 10 JHGE O=S(=O)(N[C@@H](CBr)C1CC1)c1cc(Br)ccc1Br 2033127113 OFDFMAXDSGKIOJ-JTQLQIEISA-N 462.001 3.663 50 10 JHGE CCOC(=O)Cc1c(I)cc(CCl)cc1I 2055330436 CFYVXGSSULGWDP-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE C[C@@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCBr 2089708431 ZMUNQXLSJBZBNK-APWZRJJASA-N 485.444 3.668 50 10 JHGE Clc1ccc(I)c(CN2C[C@H]3COC[C@@H](C2)[C@H]3Br)c1 2132542713 JJUUQXLCKXLNOL-GNXNZQSNSA-N 456.549 3.786 50 10 JHGE COc1ccc(S(=O)(=O)N(C)[C@H]2CC[C@@H]2OCc2ccccc2)cc1CBr 2179860085 MUPCHUKGZNHRMH-ICSRJNTNSA-N 454.386 3.958 50 10 JHGE O=C(NC12CCC(CBr)(CC1)C2)c1cc(I)ccc1O 2189330733 HYQFOBHURSTLAT-UHFFFAOYSA-N 450.114 3.824 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H](C(F)(F)CBr)C1 2197755953 YFHGKWAQNJNTSZ-MRVPVSSYSA-N 453.168 3.860 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)N[C@H]1C[C@@H](Br)C1 2221687610 FKZQCVPPKNRETA-VNHYZAJKSA-N 476.209 3.927 50 10 JHGE O=S1(=O)CC[C@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2263515091 KOKXGMWKZJZUNA-JOYOIKCWSA-N 461.013 3.952 50 10 JHGE CC(C)(CI)CN1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 2306819815 XVMWYEMPIXGUDL-IUCAKERBSA-N 460.200 3.521 50 10 JHGE CCCN(CCCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827229 OUWGXAWVZHTPPN-UHFFFAOYSA-N 473.433 3.670 50 10 JHGE C=CC[C@](C)(CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338834308 WETAXAOSJGLIOD-OAQYLSRUSA-N 485.444 3.740 50 10 JHGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2338852318 NBKCHAQRMZCNIT-INIZCTEOSA-N 485.444 3.526 50 10 JHGE O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)sc1Cl 2343413953 YYUKSEFGBJLBOF-GFCCVEGCSA-N 483.793 3.958 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@]12CCC[C@@]1(CBr)C2 2364016551 ZCJITUGSUJCKEO-STQMWFEESA-N 470.003 3.630 50 10 JHGE CCOc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13620763 JMJIQDSAZYAIKD-BJMVGYQFSA-N 453.720 3.741 50 10 JHGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623326 QPCOXIXXMGCAAB-CZTZKLFOSA-N 451.567 3.554 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC)cc1 14652818 XUWBOGSWCROTFC-UHFFFAOYSA-N 493.354 3.645 50 10 JHGE CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@@H]1c1cc(OC)c(OC)c(OC)c1 35576483 BZIIIGIWHZRWPC-FQEVSTJZSA-N 466.490 3.503 50 10 JHGE CCCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2)c2cc(OC)ccc21 38180350 AVVVEPMTZLFNNR-OLFWJLLRSA-N 464.566 3.653 50 10 JHGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccnc1 59156998 PMQURKJHNXSQJN-PLRJNAJWSA-N 453.271 3.664 50 10 JHGE O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 59506891 YCMCVKCEYIVBME-JVWAILMASA-N 480.362 3.837 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@@H]1CBr 124735935 PUJPVIMVIQMBKE-SECBINFHSA-N 462.001 3.760 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1 821892380 DGOHCWHLPCYLGC-TWMGVTGTSA-N 477.883 3.933 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCc2nnc3n2CCCCC3)c(-c2ccc(Cl)cc2)n1 914457532 GSZTVMCGTYSBMQ-XDJHFCHBSA-N 488.983 3.701 50 10 JHGE COc1cc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)O)cc1 1083891071 ILSLTIAJJVHBNL-UHFFFAOYSA-N 463.446 3.573 50 10 JHGE COc1ccccc1SC[C@@H](C)CNC(=O)NNC(=O)c1ccc(Br)cc1 1318293977 ZCXIFEOHUCZCGB-ZDUSSCGKSA-N 452.374 3.830 50 10 JHGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749008 GFDKDJHTJDPVDH-UHFFFAOYSA-N 493.391 3.518 50 10 JHGE CCOC(=O)Cc1c(I)cc(CBr)nc1OC(F)(F)F 1848387635 JXAVSFCIVSRBDD-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)Nc1cccc(Cl)c1 1860770905 BQNGSXNLQKWSFH-UHFFFAOYSA-N 453.911 3.631 50 10 JHGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(F)cc4F)nc3C)cc2C1=O 1865759921 YOEGEPDTJWEBLS-ZDUSSCGKSA-N 492.482 3.805 50 10 JHGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1C[C@@H]1Br 1877422029 ZAYUWVPDRCRWAR-DKIMLUQUSA-N 455.393 3.727 50 10 JHGE C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](CBr)NC(=O)OC(C)(C)C 1882088779 UMRXZXZQABWLLY-QLFBSQMISA-N 451.402 3.937 50 10 JHGE COC(=O)Cc1cc(I)c(OC(F)(F)F)c(CBr)c1 2055371173 SGNUTUDUAZNTHM-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CCC([C@@H](F)CBr)CC1 2163245080 JXWPMKZZGDCDBJ-NSHDSACASA-N 456.093 3.582 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)c2ccc(Br)cc2Cl)C1 2177852269 WVPUJPCCYYKCKN-OYHJMPOTSA-N 465.531 3.519 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185327391 WGXHHXKBABKLDO-KPXOXKRLSA-N 467.983 3.979 50 10 JHGE O=S(=O)(Cc1cccc(Br)c1)NCCCCCCI 2226105577 PNJGAHPAVUJILX-UHFFFAOYSA-N 460.175 3.864 50 10 JHGE CO[C@@H]1CN(Cc2cccc(Br)c2Br)[C@H](CBr)[C@H]1OC 2233354557 PGGZZLLZUUCRSD-YRGRVCCFSA-N 472.015 3.821 50 10 JHGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCN(C)CC2)cc1 2297498145 SQHNMXXHDOCJJW-UHFFFAOYSA-N 453.546 3.785 50 10 JHGE COc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314620811 VLESUUORSGECGB-UHFFFAOYSA-N 454.523 3.666 50 10 JHGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2314740271 FGVFABLYSLWWSU-UHFFFAOYSA-N 461.430 3.947 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@@H]1CNC(=O)OC(C)(C)C 2325064012 MHTPKQJNHPDWAK-VFNWGFHPSA-N 493.692 3.630 50 10 JHGE C[C@@](NC[C@@H]1C[C@@H]1Br)(C(=O)O)c1cc(Br)c(Br)s1 2326526405 OTDOKVDZXJVWJZ-BVMVBECYSA-N 462.001 3.946 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCCSCCBr)cc1Br 2335641442 YVNBFRNMSWHXGF-UHFFFAOYSA-N 496.084 3.926 50 10 JHGE C[C@H](Cl)CN1CCN(Cc2ccc(I)c(Br)c2)CC1 2349823429 BVJPVZWVWZBJML-NSHDSACASA-N 457.581 3.799 50 10 JHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc1 14029696 ZKJHABXAIROWSW-UHFFFAOYSA-N 463.987 3.932 50 10 JHGE Cc1ccc(C(=O)NNC2=NC(=O)C[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)S2)cc1 22531501 FAMMLXPOXHCQIJ-HNNXBMFYSA-N 451.335 3.563 50 10 JHGE CC(=O)NNC(=O)[C@@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1 59844852 ZUEFKUAWGJDERD-MRXNPFEDSA-N 460.563 3.681 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)cc1 100887920 CGCKINSGRBPMNP-SQNIBIBYSA-N 459.449 3.796 50 10 JHGE C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)COc1ccc(Br)cc1C 100969312 GJJWCGJYWSAXPU-BUVRLJJBSA-N 461.360 3.723 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCN2CCc3ccccc3C2)c(-c2ccccc2)n1 914471486 DRINVQRPWIQUDD-ULJHMMPZSA-N 450.546 3.545 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc(OC(F)F)c(F)c2)cc1 920853883 GYSDTJZXJLXOES-XNTDXEJSSA-N 499.449 3.720 50 10 JHGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccc(Cl)cc1 1084591881 ILJWMRALHQWVDO-UHFFFAOYSA-N 471.985 3.829 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](F)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 1260510659 OZAZAKPXPXSBHV-SFHVURJKSA-N 465.385 3.599 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1)c1ccc(Cl)cc1 1470661922 CNJVQBAOIIERAZ-YVEFUNNKSA-N 450.720 3.575 50 10 JHGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 1563205725 ZWCTYGNWUGTQPZ-NSHDSACASA-N 454.708 3.925 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(C)n(-c3ccccc3Br)n2)c1 1651317325 HKNUSGNSUANSTL-UHFFFAOYSA-N 454.353 3.556 50 10 JHGE CCOC(=O)Cc1c(OC(F)(F)F)ncc(I)c1CBr 1848387524 BPBFQSALSKGCSV-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE Cc1csc2nc(Cl)c(/C=N/NC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)n12 1860773774 DYUJKCHQHRBEPL-JEKXNBALSA-N 489.026 3.965 50 10 JHGE COc1ccc(-c2nn(C)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865695458 CUTHDLQEMIWBKL-KRWDZBQOSA-N 483.322 3.791 50 10 JHGE COc1ccc(-c2nn(C)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865697326 ZSRXCNZEVDACIB-QGZVFWFLSA-N 453.296 3.782 50 10 JHGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1866128739 JGRYZAVHILRDRO-NTCAYCPXSA-N 484.335 3.586 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2n[nH]c3c2CCCC3)cc1 1866850114 NOQJDRXWJWUXNZ-NRFANRHFSA-N 463.538 3.981 50 10 JHGE Cc1ccc(CCl)c(-n2c(C)nc(I)c2I)n1 1941547540 YEKHWLFNBAATID-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)[C@@H](Br)C1 2019466906 WZJPGRIYHPOCNX-IUCAKERBSA-N 493.364 3.927 50 10 JHGE CC(C)(C)[C@H](CCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233623 VMHHXVABKUVYQC-KRWDZBQOSA-N 473.433 3.572 50 10 JHGE O=[N+]([O-])c1c(I)ccc(I)c1CBr 2060231972 QYEHGAXNGVJRQU-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE CC(C)(C)OC(=O)CN(C[C@@H]1CCCN(CCI)C1)C(=O)OC(C)(C)C 2106784450 ISWCPJMJXOMNRI-OAHLLOKOSA-N 482.403 3.712 50 10 JHGE CCN1CCC[C@@H]([C@@H](Br)c2cccc(C)c2I)S1(=O)=O 2145762366 UBGXEOUQLKXLPV-STQMWFEESA-N 472.186 3.850 50 10 JHGE O=S(=O)(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1sccc1Br 2192575672 IUSQQVUDNZLHTB-APPZFPTMSA-N 457.131 3.752 50 10 JHGE C=C[C@@]1(CCl)COCCN1C(=O)c1cc(Br)ccc1I 2199877840 OISVYLFFTLVTQO-CQSZACIVSA-N 470.532 3.690 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CCO[C@]2(CBr)C1 2239897368 XLYJWKHYWTTWIY-LKFCYVNXSA-N 467.983 3.838 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 2294168430 KJCLGWIHCDIGRL-OAQYLSRUSA-N 451.479 3.775 50 10 JHGE CC[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@H](C)NC(=O)OC(C)(C)C 2306409619 YDHUOHGTQQXNEI-VBKZILBWSA-N 481.681 3.629 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)ccc1Cl 10510546 YZDMVPGRMYOUHM-UHFFFAOYSA-N 498.004 3.984 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)c(Br)c1 13977750 DEORUJVTHCZUMM-UHFFFAOYSA-N 482.762 3.610 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=C1CCN(C(C)C)CC1 14017209 MJIFHXZFVOGEQH-UHFFFAOYSA-N 461.198 3.875 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14024788 JQUBHTWHVCQXBV-UHFFFAOYSA-N 455.736 3.977 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)cc1 14037234 LCKIJYWVXWUUHM-UHFFFAOYSA-N 463.987 3.788 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1 14644915 RVRCBTRVTJVVNF-UHFFFAOYSA-N 470.595 3.799 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2C)cc1Br 14647750 VOKQGZRMZGCLJW-UHFFFAOYSA-N 494.411 3.569 50 10 JHGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)cc1OC 40815693 ODVVKPBTWKHSTR-MWAVMZGNSA-N 489.572 3.977 50 10 JHGE CCc1cc(Br)ccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1 40992780 PWKSFDXVWNVLNO-LDADJPATSA-N 487.350 3.665 50 10 JHGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1 59879693 NMMUQOWPJHKHJI-VSRRSJTHSA-N 475.578 3.841 50 10 JHGE COc1ccc(/C=C/C(O)=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1OC 105891301 FVVJWYSZZNNKCQ-NYSBUUPOSA-N 459.506 3.627 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 380637267 LXYWTPDGAUOAPG-HZPDHXFCSA-N 473.820 3.924 50 10 JHGE COc1cccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1OC 1083903994 VCVWCICVHNZOAH-UHFFFAOYSA-N 481.574 3.666 50 10 JHGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1nc(Br)cn2ccnc12 1457697594 VJFKZASQNTZWCJ-UHFFFAOYSA-N 456.222 3.832 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744017 OIGXPCSQDHLWQZ-UHFFFAOYSA-N 490.472 3.990 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748693 MZJNPNSQARPHKF-UHFFFAOYSA-N 478.936 3.716 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccccc3C(F)(F)F)c(=O)c2c1-c1ccccc1 1860770109 TXQGZOBIFFLLLM-UHFFFAOYSA-N 486.475 3.913 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2ccc(I)c(Cl)c2)[C@@H]1Br 1911027720 VLHWMCGJSAVUGF-QWRGUYRKSA-N 458.521 3.615 50 10 JHGE O=S(=O)(c1ccc(CBr)s1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2123268257 KYUPSPRFGZASDO-SJORKVTESA-N 455.443 3.786 50 10 JHGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(CCBr)cc1 2179788538 DEKUHIWWEFVVGP-MSOLQXFVSA-N 451.430 3.908 50 10 JHGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccc1F 2179789844 WPPMUUSKQKDBOE-GOSISDBHSA-N 455.393 3.863 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2COC[C@@]2(CBr)C1 2234584593 YUEMFFDHBBKLCY-YMTOWFKASA-N 467.983 3.695 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@H]2[C@H](CBr)NC(=O)OC(C)(C)C 2241735869 WILUIWXMMSWZPE-XFIYOXNOSA-N 463.413 3.841 50 10 JHGE O=C(NCC1(CBr)CC(F)(F)C1)c1cc(I)ccc1O 2281659972 KJCFCSXIMWXVCZ-UHFFFAOYSA-N 460.056 3.537 50 10 JHGE COCCNC(=O)C(C#N)=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O 2296732228 KMVKPVISUOCPRB-UHFFFAOYSA-N 493.567 3.571 50 10 JHGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)S(=O)(=O)c1ccccc1 2297318708 BJADNQJDQYVIOF-UHFFFAOYSA-N 459.483 3.834 50 10 JHGE CC[C@H](Br)[C@H](CC)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821666 IFLSWJDHCYZTQE-ROUUACIJSA-N 473.433 3.715 50 10 JHGE CC(C)[C@@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2344710804 NTMHKNMVXZUNMK-APWZRJJASA-N 485.444 3.667 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1 10471895 GCDGHAHDOSQASO-UHFFFAOYSA-N 456.568 3.552 50 10 JHGE Cc1c(C(=O)Nc2ccccn2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823127 KRKLSZNISVZINH-CVKSISIWSA-N 468.311 3.863 50 10 JHGE CCOc1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(O)c1 254479838 VKLRVMYGIFVEIT-BXDCRWNASA-N 472.545 3.778 50 10 JHGE O=C(O)COc1cccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1 254867990 PIDTUBTYMOVDID-UHFFFAOYSA-N 474.542 3.790 50 10 JHGE O=S(=O)(c1ccc(Br)cc1Cl)N1CCS[C@@H](CCBr)C1 719988461 HPUSSVTXMLJFQQ-JTQLQIEISA-N 463.644 3.994 50 10 JHGE CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)NNC(=O)c2cccc3cccnc23)cc1 728022944 HKDUKXMWDRVDSE-FQEVSTJZSA-N 462.575 3.509 50 10 JHGE COc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c(OC)c1 1083973080 RBGJBLFPWYPGPF-UHFFFAOYSA-N 481.574 3.666 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccccc1[N+](=O)[O-] 1084579268 NUTOUFBAUDVMSU-UHFFFAOYSA-N 471.105 3.957 50 10 JHGE CC(C)(C)OC(=O)NCCC1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 1260505693 MHQSIQALGCNPJK-UHFFFAOYSA-N 461.422 3.897 50 10 JHGE CC(=O)c1ccc(CCNC(=O)NNC(=O)Nc2ccc(Br)cc2Cl)cc1 1313437552 NNTUEPFXCSPERT-UHFFFAOYSA-N 453.724 3.884 50 10 JHGE CC(=O)N(Cc1ccc(NC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1)C(C)C 1668500522 URZXRKWKLOQKSD-UHFFFAOYSA-N 454.499 3.588 50 10 JHGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3cccc(OC)c3)nc2C)cc1OC 1865758619 JQCFGHNAVFTLSU-GXDHUFHOSA-N 461.518 3.947 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc5ccccc5c4)c(=O)c23)C1 1865851682 GECPEKWECGYPSG-GJZGRUSLSA-N 460.559 3.758 50 10 JHGE CC(C)SCc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)o1 1865852473 YDZOFHRKHCNMIP-ZIAGYGMSSA-N 488.635 3.840 50 10 JHGE O=S(=O)(NC[C@H]1C[C@H](Br)C1)c1cc(Br)ccc1Br 2076176228 IHOHVOFPQVNOJN-XWEPSHTISA-N 462.001 3.663 50 10 JHGE CN(Cc1c(Br)nnn1C)c1ccc(Br)cc1CBr 2100247352 LTWWUTMYOWVABP-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)CCC(F)(F)CBr 2123363642 PQYOFSSPGPWMEM-KRWDZBQOSA-N 453.393 3.723 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC2(C1)OCCC[C@@H]2Cl 2159653912 UCRXYIUFHDDBIO-LBPRGKRZSA-N 470.532 3.666 50 10 JHGE CN(C[C@@H](Br)C1CCCCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2167654894 BDNULKMKHLNXOY-LJQANCHMSA-N 499.471 3.914 50 10 JHGE O=C(c1cc(I)ccc1F)N1CC[C@@H](CBr)C(F)(F)C1 2169661770 KCEMJUOGAXJLSX-QMMMGPOBSA-N 462.047 3.923 50 10 JHGE Cn1nc(Br)c([C@@H](Br)c2ccc3c(c2Br)CCO3)n1 2229745516 CPNXITNGBKCYNF-JTQLQIEISA-N 451.944 3.759 50 10 JHGE Cc1cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2267519184 GOBSPOCIGKPLFZ-UHFFFAOYSA-N 486.465 3.523 50 10 JHGE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1 2296882385 RUKYMMWOEVAVDK-UHFFFAOYSA-N 499.614 3.624 50 10 JHGE COC(=O)C(C#N)=Cc1cccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 2314760678 VZUDLWRLUXSLFS-UHFFFAOYSA-N 452.422 3.786 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(Cl)cc1 2314795651 DLPSETQRKOIEDP-UHFFFAOYSA-N 484.936 3.879 50 10 JHGE CC(C)(C)OC(=O)N[C@]1(c2ccccc2)CCN(CCOCCI)C1 2326648839 ROWGVILOIIHZNH-LJQANCHMSA-N 460.356 3.564 50 10 JHGE COCCn1cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c2cc(OC)ccc21 2328798534 GCPHOQYEJZHNIA-QHCPKHFHSA-N 494.592 3.882 50 10 JHGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3ccc(OC(=O)c4ccccc4)cc3)ccc12 2328804050 QHQYFSHEBYTNOG-UHFFFAOYSA-N 456.454 3.850 50 10 JHGE C[C@@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2338842780 MPVXDLPUCLEDOD-APWZRJJASA-N 485.444 3.668 50 10 JHGE O=C(NC[C@]1(CBr)CCCO1)c1ccc(Cl)cc1I 2340055404 SPJQSGLUIDAUNQ-CYBMUJFWSA-N 458.521 3.619 50 10 JHGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl 12503515 JHIBTHLKALOLME-OUKQBFOZSA-N 480.977 3.947 50 10 JHGE CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1O 12583903 PUWFLJPJMGXUPI-AWQFTUOYSA-N 472.133 3.845 50 10 JHGE Cc1cccc(C)c1OCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 13981073 HYZOFSFCBCOUHM-UHFFFAOYSA-N 457.324 3.824 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 13999396 MEOHUZAOJWIXOV-IBGZPJMESA-N 499.633 3.557 50 10 JHGE O=C(NNc1ncnc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-])c1ccc(Br)cc1 40648847 QZEPGJUZSZCISS-UHFFFAOYSA-N 474.231 3.556 50 10 JHGE C=CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2OC)nnc1-c1cccnc1 58990374 QSNGSJNCUWKTPN-FSJBWODESA-N 487.383 3.540 50 10 JHGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(F)cc4)c(C)c32)c1 101593236 DGLVJIHULDNAII-ZXVVBBHZSA-N 462.481 3.581 50 10 JHGE Cc1c(C(F)(F)F)cccc1S(=O)(=O)NC(C)(CBr)CBr 126521823 OHFMKVCVQREAQD-UHFFFAOYSA-N 453.118 3.841 50 10 JHGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 254766286 LWDIXUHHYJGBDX-CSLZCAIXSA-N 457.490 3.582 50 10 JHGE O=S(=O)(c1c(Cl)cccc1Br)N1CCSC[C@@H]1CCBr 689309822 KAHUFDFSZYUHJX-VIFPVBQESA-N 463.644 3.994 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)cc1 725400354 HQYBOQWMAZRVAA-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE C=COc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)cc1 1299158662 YIVAZEFCXUSWNS-JXAWBTAJSA-N 457.490 3.502 50 10 JHGE CCOc1cc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc1OC(C)C 1873794778 AHYKKIFSAKBNCZ-QIWJOQEQSA-N 453.605 3.969 50 10 JHGE CN(CC1CC(Br)C1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1991458188 SFBCEMDYNZYAKI-MTNXOHHFSA-N 480.447 3.788 50 10 JHGE O=C(c1sccc1I)N1CC[C@@H](C(F)(F)CBr)C1 2077098719 AYQJRVIFVDTGLT-SSDOTTSWSA-N 450.086 3.845 50 10 JHGE CC1(COc2c(Br)cc(CBr)cc2Br)CS(=O)(=O)C1 2097061219 JYTRQZIAHKMBMN-UHFFFAOYSA-N 477.012 3.920 50 10 JHGE C[C@H](Br)CN1CCN(C(=O)c2scc(Br)c2Br)CC1 2113863891 KGMLVIIOUNAAHJ-QMMMGPOBSA-N 475.044 3.814 50 10 JHGE C[C@H](CCCCCI)NC(=O)c1nn(C)c(Cl)c1Br 2117882749 QJLCVEVNAYJARF-MRVPVSSYSA-N 462.557 3.950 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)c1ccc(CBr)cc1)C2 2163053369 MXHZTJONWMXJSJ-XHSDSOJGSA-N 459.406 3.648 50 10 JHGE CC(C)(C)[C@H]1C[C@H](CCl)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2165001360 YLRHMLGWOQMCRD-SJORKVTESA-N 455.020 3.616 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201763746 PTIUCVQINMMSOJ-YGRLFVJLSA-N 467.983 3.980 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2247815528 BLORQRDMEUYALG-SHTZXODSSA-N 460.471 3.881 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC/C=C/CBr)cc1Br 2259420564 AVXXVUTUXDDUEH-NSCUHMNNSA-N 462.001 3.749 50 10 JHGE Clc1cc(CN2C[C@@H]3OCC[C@@]3(CBr)C2)ccc1I 2278853116 CYVSFBTXHGTVLT-UONOGXRCSA-N 456.549 3.930 50 10 JHGE BrC[C@H]1CN(Cc2ccc(I)c(Br)c2)CCO1 2306222227 RECKHWUWWACOKN-JTQLQIEISA-N 474.962 3.649 50 10 JHGE CC(C)(C)OC(=O)N1CCCC[C@@H]1CN(CCOCCI)C1CC1 2306801495 GVJQJLAAVWVBMM-MRXNPFEDSA-N 452.377 3.692 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2325062326 DVRJLGUDAZYFRE-YCRPNKLZSA-N 493.692 3.582 50 10 JHGE CC(C)[C@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338851077 CPPQATRPFRKXQV-OALUTQOASA-N 485.444 3.667 50 10 JHGE CCN(C(=O)c1c(Br)c(Br)nn1C)[C@@H]1CCC[C@H]1Br 2338863559 LQHNDXFUGULFQL-HTQZYQBOSA-N 457.992 3.723 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355689444 DTGQQOQTCKTTAK-XTWCZFFVSA-N 467.983 3.694 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2364214466 GQIAHVAFCJEGGE-PWIZWCRZSA-N 497.455 3.953 50 10 JHGE Cc1cc(Br)c(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(Br)c1 3096834 MAPSNPKRMGBXGW-DNTJNYDQSA-N 470.121 3.990 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccs2)cc1 13979402 OLNJUYHUBJDHDK-OUKQBFOZSA-N 464.572 3.658 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041600 QFBLQVAOMATZJF-UHFFFAOYSA-N 469.335 3.911 50 10 JHGE COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CSc3nncn3C)cc2)c1Br 20428563 AWYQRBHXWJVSRM-LSHDLFTRSA-N 490.383 3.651 50 10 JHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811878 VLZYFSZKOMPGGZ-MTDXEUNCSA-N 463.465 3.856 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)c(OC)c1 40950649 NDMXPEXFQIGCRQ-DYTMQZIQSA-N 494.544 3.779 50 10 JHGE COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c1 48572668 HXDPYCMUAFBQLX-AFUMVMLFSA-N 451.866 3.657 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)c1ccc(Br)cc1 59146621 UKJFDAJAEOKGAB-UFFVCSGVSA-N 487.270 3.832 50 10 JHGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCC(=O)Nc2ccccc2)c(OC)c1 96577043 GJVGTDDLPAFOOB-DHDCSXOGSA-N 459.296 3.945 50 10 JHGE CCCC1=NN2C(=N)/C(=C/c3ccc(OCCBr)c(OC)c3)C(=O)N=C2S1 102965987 ALIHDEFUXUZFFL-SQQRRHNYSA-N 451.346 3.888 50 10 JHGE O=C(NC1(CBr)CCOCC1)c1cc(Cl)ccc1I 230762951 XOOAYMZSGUMVEV-UHFFFAOYSA-N 458.521 3.619 50 10 JHGE N#Cc1ccccc1OCC(=O)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 254372495 LGNGCKJSADNPBU-UHFFFAOYSA-N 461.390 3.696 50 10 JHGE O=C(CBr)c1c(I)ccc([N+](=O)[O-])c1OC(F)(F)F 575709418 AQPROVPEVJMTIS-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE O=C(c1cccc(F)c1I)N1CCS[C@@H](CCBr)C1 721678869 KKZRHLNHXFWIAO-VIFPVBQESA-N 458.134 3.773 50 10 JHGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)c1 725410676 YNOGNNCNQMETTI-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE O=C(NNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1 726930376 FLVMGJJSANCFSY-UHFFFAOYSA-N 472.773 3.849 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NC2CCN(Cc3ccccn3)CC2)c(-c2ccccc2)n1 918608077 BJKXZMDMAXMKJX-OQKWZONESA-N 465.561 3.547 50 10 JHGE O=C(NNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 1116008450 SBMQMCCAZVKZHR-UHFFFAOYSA-N 472.773 3.849 50 10 JHGE C#CCCCC(=O)NNC(=O)[C@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1558512914 LKCHOEMPVYJMKF-AWEZNQCLSA-N 454.577 3.637 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1 1673760444 RAJRVPMIRCKFNG-AWEZNQCLSA-N 453.417 3.759 50 10 JHGE O=C(NC[C@@H](Br)CF)c1cc(Br)ccc1I 1937692230 PBYNWTBICGYPGJ-ZETCQYMHSA-N 464.898 3.517 50 10 JHGE O=C(C=Cc1ccc(OCc2ccccc2)cc1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1 2042443589 DKIUSSLGPLOWIH-UHFFFAOYSA-N 498.627 3.634 50 10 JHGE CC(C)(C)[C@]1(CBr)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2104633145 HJKJLHPAJIAVQA-NRFANRHFSA-N 485.444 3.526 50 10 JHGE C[C@]12CSC[C@H]1CN(S(=O)(=O)c1cc(CBr)sc1Br)C2 2179775704 NOOZWUWDSWBMMC-PELKAZGASA-N 461.266 3.779 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CC[C@H](Cl)C2)CC1 2288045153 PJWZONNLLDLMLY-KRWDZBQOSA-N 453.004 3.656 50 10 JHGE O=C(O)CSc1nc2cc(I)ccc2n1[C@H]1C[C@H](Br)C1 2295179382 GNLRNHIATMEFMT-XWEPSHTISA-N 467.126 3.916 50 10 JHGE NNC(=O)c1cc(Br)cc(Br)c1NC(=O)c1ccc(Br)cc1 2295355997 DAMWWGXRTWPGSW-UHFFFAOYSA-N 491.965 3.830 50 10 JHGE N#CSc1ccc(NC=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1[N+](=O)[O-] 2297534311 HSGPRMXSBDQTKU-UHFFFAOYSA-N 459.443 3.900 50 10 JHGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)NC[C@H]1CCCO1 2313609884 OEDIZJFELFTGQU-HXUWFJFHSA-N 485.334 3.928 50 10 JHGE COc1cc(C=C(C#N)c2ccccc2OC)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 2320506189 DIDHQUXMRHPWIV-UHFFFAOYSA-N 468.465 3.970 50 10 JHGE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325592124 WHUMRMXXIDGGAR-VFNWGFHPSA-N 495.708 3.875 50 10 JHGE C[C@@H](Br)[C@@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2338675642 XZWGEJFWNVERCV-SFYZADRCSA-N 457.992 3.723 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC(C)(C)CC[C@H]1CBr 2364230400 MASPUODAOOYXID-QMMMGPOBSA-N 472.019 3.971 50 10 JHGE Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)CCl)CC1 34830368 RZCSGTDESIJUQO-FDDCHVKYSA-N 460.043 3.692 50 10 JHGE CCCCCn1nc(C(=O)NNC(=O)c2cc3c(nc4sccn43)s2)c2ccccc2c1=O 45574353 ZPOGHPLRMZRFON-UHFFFAOYSA-N 480.575 3.585 50 10 JHGE COc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101341201 ZXFFNGJAKXVIDY-UDWIEESQSA-N 478.476 3.569 50 10 JHGE O=C(CCCCCCCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc([N+](=O)[O-])cc1 245264363 CYCDYEXNJUQFAY-UHFFFAOYSA-N 482.497 3.834 50 10 JHGE COc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cccc([N+](=O)[O-])c1 252594789 BUKBONUEKSGNCH-UHFFFAOYSA-N 487.104 3.658 50 10 JHGE O=C(CSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1)NNC(=O)c1ccc(Cl)cc1 1084034092 PTWRAMJPBUYYSY-UHFFFAOYSA-N 498.783 3.764 50 10 JHGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 1084284249 RETFGEHCWWSJPG-UHFFFAOYSA-N 485.537 3.579 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1)c1ccc(Cl)cc1 1470661919 CNJVQBAOIIERAZ-SJCJKPOMSA-N 450.720 3.575 50 10 JHGE CC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)nc1C 1858692729 BGOVGFVKHXDBQJ-UHFFFAOYSA-N 489.441 3.725 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4c(F)cccc4Cl)c(=O)c23)cc1 1860770614 PROVNOJQBHGDCW-UHFFFAOYSA-N 470.913 3.687 50 10 JHGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1O 1865701430 VNMYSQPPVWUYNC-SECBINFHSA-N 494.065 3.888 50 10 JHGE Clc1ccc(I)cc1COCCOCCI 1904950053 NOECTOWLXCYUNB-UHFFFAOYSA-N 466.484 3.913 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]2C1 2277950206 URARNOCTGYIROH-RNJOBUHISA-N 473.024 3.808 50 10 JHGE COc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(OC)c1 2295523565 PYUMGXOQBRKDNG-UHFFFAOYSA-N 472.545 3.691 50 10 JHGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)ccc2Cl)c1 2297460753 ZVIXQRVUODKNCI-UHFFFAOYSA-N 479.920 3.984 50 10 JHGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)sc(C)c1C 2314482667 RHXYCDWTBCLILG-UHFFFAOYSA-N 499.570 3.995 50 10 JHGE O=[N+]([O-])c1cc(Br)c(OCCOCCI)c(Br)c1 2326703924 GZKOWQDKGXTWMU-UHFFFAOYSA-N 494.905 3.950 50 10 JHGE COC(=O)c1c(NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(C(C)=CC#N)c1C 2331562241 VYWYHSPQEIKAFN-UHFFFAOYSA-N 496.501 3.693 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCCCC[C@@H]1Br 2338860030 IVHMOEKFPAICIR-JGVFFNPUSA-N 457.992 3.771 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2[C@@H](C)CC)cc1 9874120 LFSGDPHJGKUXKO-ROUUACIJSA-N 456.539 3.761 50 10 JHGE Cc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 12483692 DEVBTDBCFIKLRO-UHFFFAOYSA-N 456.134 3.668 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCOC 14662496 MGOGAJYJSYESQM-HNNXBMFYSA-N 479.371 3.828 50 10 JHGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)Cc3ccccc3)c2[N+](=O)[O-])cc1 40649918 FWNRYZYDDTZUPK-UHFFFAOYSA-N 464.482 3.627 50 10 JHGE CS(=O)(=O)CCC(CBr)(CBr)c1ccc(Br)cc1 118878503 JAZFYVWZWSWHBJ-UHFFFAOYSA-N 463.029 3.911 50 10 JHGE COc1ccccc1C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 254381220 HRMOXFZYJGNRBY-UHFFFAOYSA-N 458.543 3.945 50 10 JHGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(O)ccc3ccccc23)sc2c1CCCC2 254841086 KMAJOPAGJHVNBN-UHFFFAOYSA-N 465.531 3.751 50 10 JHGE Cc1cc(S(=O)(=O)N2CCC(F)(F)[C@H](CBr)C2)sc1Br 403929619 VRYSBDOXFOVNOM-MRVPVSSYSA-N 453.168 3.860 50 10 JHGE COc1ccc(CNC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 753913763 AQTPCVOQANQKNG-HMAPJEAMSA-N 473.529 3.878 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 1084257172 RPNYQVNKCALBDI-UHFFFAOYSA-N 451.548 3.739 50 10 JHGE C[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1260511948 VYCXZRWGBCVSDZ-CQSZACIVSA-N 461.422 3.895 50 10 JHGE C=C(C)CN1CCC(NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1 1468639579 KUBNKYGYANFQFC-UHFFFAOYSA-N 456.974 3.904 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(OC)c(O)c(OC)c2)cc1 1865714443 KMLFYFZPOLTRTA-QGZVFWFLSA-N 488.422 3.841 50 10 JHGE C[C@@H](C(=O)NNC(=O)Cc1ccc(Cl)c(Cl)c1)n1cnc2sc3c(c2c1=O)CCCC3 1865852020 NGILAYVGWWIRNN-NSHDSACASA-N 479.389 3.595 50 10 JHGE CN1CCN(C2CCC(C(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)CC2)CC1 1867285086 UJPBXRVJHPEPBS-LQOCYXTFSA-N 491.661 3.862 50 10 JHGE O=C(NC[C@]1(CBr)CCCO1)c1cc(Br)ccc1Br 1879605307 RGNCWZURLFICTR-CYBMUJFWSA-N 455.972 3.886 50 10 JHGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCOCCI 1904643858 ZKMIVIZADWEQMH-RBUKOAKNSA-N 474.383 3.950 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1ccc(I)c(Cl)c1 2097944165 BKWMGJTVGQBVPH-VHSXEESVSA-N 458.521 3.617 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1cc(Br)cc(Br)c1 2097944848 HGMXQOLXSJZZEP-JOYOIKCWSA-N 455.972 3.884 50 10 JHGE O=S(=O)(Nc1cc(Br)ccc1Br)N1CCC(Br)CC1 2105891222 MWUXQDTWVWWOJV-UHFFFAOYSA-N 477.016 3.728 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1csc(Br)c1Br 2122367892 JQTQQYCRRYSKFH-SFYZADRCSA-N 475.044 3.813 50 10 JHGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1ccc(I)c(Cl)c1 2167533201 OIOXBBPBCKNROO-JTQLQIEISA-N 472.548 3.959 50 10 JHGE O=C(N[C@@]12CC[C@@](CCl)(C1)OC2)c1cc(I)ccc1Br 2190182050 RKLKAZXABGQGIH-KBPBESRZSA-N 470.532 3.714 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](N2CCN(CCCCCI)CC2)C1 2220224699 XOISBPXCEGOGLH-SJORKVTESA-N 465.420 3.655 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)c(I)c2)C[C@@H]1Br 2268346942 KFDMVFACSZJYRI-HOTUBEGUSA-N 458.521 3.615 50 10 JHGE C[C@H](Cl)COCc1cn(-c2ccc(I)c(Br)c2)nn1 2278375424 HQRHEBCQPFUSTL-QMMMGPOBSA-N 456.509 3.778 50 10 JHGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1ccc(Cl)c(I)c1 2283663286 MUNBAQFOSFUXOX-GFCCVEGCSA-N 472.548 3.959 50 10 JHGE Cc1ccc(C(=O)NNC(=O)CCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1 2295934193 CTHLEONUZLXNHM-UHFFFAOYSA-N 459.980 3.701 50 10 JHGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 2313568313 UKHXVWNUEKIRME-UHFFFAOYSA-N 476.270 3.564 50 10 JHGE CC[C@@H](C)[C@H](CI)NC(=O)c1c(Br)c(Br)nn1C 2316834836 VCTUZQMHYANBFJ-RQJHMYQMSA-N 492.981 3.525 50 10 JHGE COC(=O)c1c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)sc(C(C)=CC#N)c1C 2331557523 FXVXIKXNTTVABF-UHFFFAOYSA-N 451.504 3.785 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 15714513 XWOYXTQGQICUDJ-UHFFFAOYSA-N 460.559 3.884 50 10 JHGE O=C(NNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)c1cn(-c2ccccc2)nc1-c1ccccc1 72020545 QBZQTAKMNKJGSI-HSZRJFAPSA-N 499.596 3.596 50 10 JHGE CCN(CC)Cc1ccc(C(=O)NNC(=O)/C=C\c2ccc(Oc3cccnc3)c(F)c2)o1 207060075 ITHHJWYXIZCEPH-WQLSENKSSA-N 452.486 3.922 50 10 JHGE CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)cc1 254289878 GNFMKCDXGBLDOH-UHFFFAOYSA-N 463.446 3.985 50 10 JHGE O=C(NN=Cc1cccc2c1OCCO2)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 254440032 BSQXHZRBQXCFSO-SANMLTNESA-N 473.554 3.996 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1OC 254712435 DLTQLSCAJISXFI-UHFFFAOYSA-N 491.569 3.927 50 10 JHGE O=C(NCCN1CCC(Br)CC1)c1ccc(I)c(Cl)c1 321435583 LLOMYAATRYHBKM-UHFFFAOYSA-N 471.564 3.534 50 10 JHGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)COc1ccc(Br)cc1)O[C@H](C)C2 730468619 CCSSNDGGZVASMX-FMEYXAORSA-N 489.366 3.501 50 10 JHGE CC(C)(C)c1ccc(C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 1084234681 ATILOCXZSFGQMZ-UHFFFAOYSA-N 494.551 3.761 50 10 JHGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-] 1084408217 BPDMHQZQBKUXIF-UHFFFAOYSA-N 472.910 3.594 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2Br)cc(OC)c1O 1084488651 ZLPLSICLNNSBRS-UHFFFAOYSA-N 459.296 3.854 50 10 JHGE CCOC(=O)Cc1nc(CBr)cc(I)c1OC(F)(F)F 1848387670 MVUNHWMDMACBOA-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE BrC[C@H]1CC=CCN1c1ncc(I)cc1Br 1988534347 IWAACAAOCZHVIK-SECBINFHSA-N 457.935 3.979 50 10 JHGE C[C@H](Br)[C@H]1C[C@@H]1NC(=O)c1ccc(I)c(Br)c1 2011200644 NUGLKJJPYOTKGO-QXHCQDJKSA-N 472.946 3.955 50 10 JHGE O=C(NC1(CBr)CCOCC1)c1csc(Br)c1Br 2032953976 UDCLENLOMHKQGI-UHFFFAOYSA-N 462.001 3.947 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@H]2[C@H]1CBr 2078305447 SJLCOTIPJYVPPH-YGOYTEALSA-N 484.957 3.909 50 10 JHGE CN([C@@H]1CC[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(OCCBr)cc1 2179858576 QBHYXJYYBMKYJS-WOJBJXKFSA-N 454.386 3.829 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2179951204 UKMARRRIEMDLRY-QZTJIDSGSA-N 465.404 3.723 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185294049 RYQAJADVSODYFH-OASPWFOLSA-N 470.532 3.712 50 10 JHGE Cc1cc(C(=O)N2C[C@H](C)O[C@H](CCBr)C2)ccc1I 2207110441 HFHLJXICOHBILY-WCQYABFASA-N 452.130 3.614 50 10 JHGE O=S(=O)(Cc1ccsc1Br)NCCCCCI 2213761624 ZGZBYRCDSQFRHX-UHFFFAOYSA-N 452.177 3.535 50 10 JHGE CN(Cc1ccc(I)cc1)S(=O)(=O)[C@@H]1CC[C@H](CBr)C1 2280263625 ZBDHQAKMHYCXSX-GXTWGEPZSA-N 472.186 3.616 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccc(Cl)cc3)nc12 2296719358 HZGOOZYBZSNJKJ-LJQANCHMSA-N 464.909 3.651 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2COCC2(C)C)CC1 2301197467 HGXZSKXAUDZQPD-AWEZNQCLSA-N 453.361 3.880 50 10 JHGE CCN(C[C@](C)(CI)OC[C@@H]1COC2(CCC2)CO1)C(=O)OC(C)(C)C 2339384921 UVGUVSDVHTZNQO-QAPCUYQASA-N 483.387 3.792 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](CCl)C12CCC2 2364218231 XSEZSRRLQCSAHI-QGZVFWFLSA-N 453.004 3.656 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)c1 14035388 AXSTVUYKERWDNN-UHFFFAOYSA-N 457.596 3.868 50 10 JHGE CCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20616206 VPHJKTKQHZWNBZ-NVRQOBBSSA-N 488.563 3.769 50 10 JHGE biogenic COc1cccc(-c2nnc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)C(Cl)Cl)s2)c1 103187133 CCWJUIFMFGBILR-OAHLLOKOSA-N 465.362 3.683 50 10 JHGE COc1ccc(C=NNC(=O)COc2c(Br)cc(C)cc2Br)c(O)c1 252628213 SLBIRKDQTAODIV-UHFFFAOYSA-N 472.133 3.763 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3)cc2OCC)cc1 254511967 DJZJNFPYQRZUPT-UHFFFAOYSA-N 475.501 3.792 50 10 JHGE O=C(CCCc1ccccc1)NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 727845332 LDBAYRYEUDCHPQ-JOCHJYFZSA-N 454.958 3.851 50 10 JHGE O=C(NNC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccccc1OCc1ccc(F)cc1 754717272 NNZBNTUYJGBVFI-RUZDIDTESA-N 477.517 3.795 50 10 JHGE C/C(=C/C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccccc1C(F)(F)F 1624039172 VNMPDDQFIJFKOW-OWBHPGMISA-N 458.440 3.861 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Br)c(Cl)c2)cc1 1675595728 AORAFHPNFPCHFI-NSHDSACASA-N 454.708 3.925 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2COC3(CCC3)C2)CC1 2020647374 VPLBIYOLRLDYAK-AWEZNQCLSA-N 451.345 3.919 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(Br)sc2Br)[C@@H]1Br 2078736053 CBHFHWSQNXRFRF-XPUUQOCRSA-N 462.001 3.944 50 10 JHGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)s1 2123242979 DATDNNKFHGTOOK-KRWDZBQOSA-N 457.459 3.971 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2I)C[C@@H]1Br 2130824889 SRLOEWRTWJITNP-UBHAPETDSA-N 458.521 3.615 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCN(CCCBr)CC1 2169928746 ZYJRRIQLGOQTOG-UHFFFAOYSA-N 469.015 3.754 50 10 JHGE O=C(c1cccc(F)c1I)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2190673291 GOWYITPFFRQQAS-JMWNJNDNSA-N 456.068 3.909 50 10 JHGE Cc1ccc(C(=O)N2CCS[C@@H](CCBr)C2)cc1I 2224626988 KQYLNEAQQXVIES-LBPRGKRZSA-N 454.171 3.942 50 10 JHGE Clc1cc(CN2C[C@@H]3OCC[C@]3(CBr)C2)ccc1I 2278853114 CYVSFBTXHGTVLT-KBPBESRZSA-N 456.549 3.930 50 10 JHGE CN1CC(C)(C)[C@@H]1CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2298944918 HUHKMSWAFKVAKO-KSSFIOAISA-N 452.377 3.548 50 10 JHGE Cn1ncc(I)c1-n1c(CCl)nc2ccc(Br)cc21 2353554155 HNGXPFAOIKNQEM-UHFFFAOYSA-N 451.493 3.865 50 10 JHGE COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 1215817 HSIDFYPBOGHCLJ-QGMBQPNBSA-N 457.078 3.892 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OC)c(Br)c1 13980543 JDQAEPGYZHPGIT-ZDUSSCGKSA-N 494.411 3.686 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc(C)c1C 14654209 FMNADJJQJVNQNN-UHFFFAOYSA-N 494.411 3.569 50 10 JHGE Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)CCl)C(C)C 34835667 NNEGJLGYHZNNPF-UHFFFAOYSA-N 450.002 3.826 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 38683235 YIRYXMHOKCSIFP-QHCPKHFHSA-N 456.454 3.919 50 10 JHGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658176 LONDUJWHQNIKIO-UHFFFAOYSA-N 498.765 3.861 50 10 JHGE O=C(CCc1ccc2c(c1)OCO2)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59158640 SRMADPLBSYJUDX-YHVAAPGMSA-N 453.498 3.928 50 10 JHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCN1CCOCC1 102856126 CMUDYRNARPLEHS-SILNSSARSA-N 461.953 3.548 50 10 JHGE CCOC(=O)N1CCN(C(=O)Nc2ccc(C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 586661804 UMTXKNIBRHLJNF-UHFFFAOYSA-N 453.524 3.818 50 10 JHGE Nc1ccc([N+](=O)[O-])cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 725379677 XIVUPEMMZNOLTG-RHSMWYFYSA-N 481.290 3.964 50 10 JHGE CN(C)c1ccc(NC(=S)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 729690099 RAHBEIURVBCEMR-UHFFFAOYSA-N 454.625 3.597 50 10 JHGE CN(C)c1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cn1 914765645 HYXSYQIKMFJUIZ-XDHOZWIPSA-N 459.941 3.802 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)c(-c2ccccc2)n1 917230479 HGXRRDXNDCCGOD-STZFKDTASA-N 479.496 3.682 50 10 JHGE O=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1084238442 WPSRBBBKOWEBGO-UHFFFAOYSA-N 457.534 3.677 50 10 JHGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3)c(C)c21 1772746730 ZYEZZVRPFQBBAN-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC 1866130476 WRWJQPPBZYQUEX-GZTJUZNOSA-N 482.518 3.655 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CCC[C@@H](CI)O1)CO2 2005246766 PDXZKTHDHOJQHZ-KSSFIOAISA-N 451.345 3.919 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1ccc(Br)cc1I 2026220925 IHTUPJOOKUDJLB-OIBJUYFYSA-N 472.946 3.909 50 10 JHGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2165002732 SLPHGIOAJWOGJD-IRXDYDNUSA-N 499.471 3.772 50 10 JHGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(CCCBr)cc2)C1 2179863573 OKSXGJKQAQFKTN-HXUWFJFHSA-N 451.430 3.909 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCC12CCC(Br)CC2 2202283247 JKTAVZWWYXMCFQ-UHFFFAOYSA-N 497.455 3.955 50 10 JHGE CC(C)COc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1 10280553 CGGSTRGOVKFNCA-UHFFFAOYSA-N 455.736 3.977 50 10 JHGE O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334401 LMEWBROSZWCNSS-UHFFFAOYSA-N 467.978 3.840 50 10 JHGE COc1ccccc1Cc1nc2c(c(N3CCOCC3)n1)CN(C(=O)[C@H](Cl)c1ccccc1)CC2 35828936 DVMWDHJTAHXLDU-RUZDIDTESA-N 493.007 3.777 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc2ccccc2oc1=O 206547129 ZJSBDNDIXWUMSY-WQRHYEAKSA-N 470.437 3.837 50 10 JHGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 206829160 AGYSDORFJMXWOL-KCPLEYNQSA-N 455.580 3.713 50 10 JHGE CC(C)C(=O)NNC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1 253567844 KNWFAGKSPNQVIE-UHFFFAOYSA-N 453.612 3.631 50 10 JHGE CCOC(=O)c1sc(NC(=O)NN=Cc2ccc(O)c(OCC)c2)c(C(=O)OCC)c1C 1772752315 UFIVVLGNIJPCMU-UHFFFAOYSA-N 463.512 3.670 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2cc(Br)cc(Br)c2)C1 2109023462 KRGBHVJZLUQWFD-NEPJUHHUSA-N 455.972 3.836 50 10 JHGE COc1ccc(S(=O)(=O)N2CC[C@H](OCc3ccccc3)C2)c(CCBr)c1 2179825356 GHVKSSPIMCYOQM-IBGZPJMESA-N 454.386 3.612 50 10 JHGE O=S(=O)(c1ccc(F)c(CBr)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188885016 LXDRTBBOAFDHIZ-JXFKEZNVSA-N 453.377 3.616 50 10 JHGE CCCN1CC[C@@H]([C@@H](Br)c2ccc(I)c(C)c2)S1(=O)=O 2207104967 IDKGDSKKGLQWMN-KBPBESRZSA-N 472.186 3.850 50 10 JHGE COc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1OC 2297708651 CIWLQPDTZBKMDB-UHFFFAOYSA-N 481.574 3.666 50 10 JHGE CCN(C[C@](C)(CI)OC[C@@H]1N(C)CC1(C)C)C(=O)OC(C)(C)C 2298945147 KAUUKMCFDNZMCL-KSSFIOAISA-N 454.393 3.794 50 10 JHGE CCOc1ccc2nc(C(C#N)=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)nc(O)c2c1 2314432582 CUNGOCSPSQRTQI-UHFFFAOYSA-N 462.487 3.706 50 10 JHGE C[C@H](CBr)CCCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316816434 ADXCHJHSANGNTF-INIZCTEOSA-N 473.433 3.574 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccccc3Cl)cc2)c1 13976883 FLBUGDPSONCDJW-UHFFFAOYSA-N 496.976 3.615 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc(C)c1Cl 14030544 GGPILKXLWUBODU-UHFFFAOYSA-N 463.987 3.706 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)ccc1Br 14030610 RTTITZMCAXFWKO-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039494 FFNGXRDKNHJEEX-UHFFFAOYSA-N 461.518 3.958 50 10 JHGE COc1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1OC 19646074 AUHRGRHYPRRHRU-BHGWPJFGSA-N 480.571 3.911 50 10 JHGE CCCCN1C(=O)/C(=N/NC(=O)CCNC(=O)c2ccccc2Br)c2cc(C)ccc21 33959315 ARYAPIJGNYXHFF-SZXQPVLSSA-N 485.382 3.545 50 10 JHGE CN(Cc1ccccc1)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40573009 CUQKRVDXKTUAMC-UHFFFAOYSA-N 477.308 3.850 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 41014523 ZEBWWZJMDLPQEI-HMMYKYKNSA-N 478.545 3.743 50 10 JHGE CCOc1c(I)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 59484549 OQXYZNAOWYNHAA-CXUHLZMHSA-N 462.287 3.922 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H](CBr)O1 235649371 NBZWKLAAKDUCHI-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE O=C(Oc1ccc(C=NNC(=O)[C@@H](O)c2ccccc2)cc1)c1ccc(Br)cc1 252617354 KRARDTQYPNEEJK-FQEVSTJZSA-N 453.292 3.852 50 10 JHGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(O)ccc2O)C1 382727453 RJYCRZXTMUIJGO-PBHICJAKSA-N 453.276 3.885 50 10 JHGE COC(=O)[C@H](CCBr)Oc1cc(Br)c(OC)cc1Br 386928715 FMIICPHEEVJVGP-VIFPVBQESA-N 460.944 3.926 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CCSC[C@@H]2CCl)cc1Br 387595451 PRKVKTDEJRINPL-VIFPVBQESA-N 463.644 3.865 50 10 JHGE C[C@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 721577634 KNXPKWQYKYZIQI-SSDOTTSWSA-N 460.935 3.815 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](Br)C1 721578436 PAEHQHYXUXVYOB-MRVPVSSYSA-N 458.919 3.663 50 10 JHGE O=C(NCCCCCI)c1cccc(F)c1I 721763152 ZHNRTHSQGIPECZ-UHFFFAOYSA-N 461.056 3.765 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 725436564 BUKCGOADQQDIBY-UHFFFAOYSA-N 481.574 3.830 50 10 JHGE CCCCOc1ccc(C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1OC 727365305 DFFAHIZDRVRZBN-UHFFFAOYSA-N 496.608 3.599 50 10 JHGE CC(=NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 730584063 TYMULLPIVUJWPQ-KRWDZBQOSA-N 485.635 3.812 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1 916779383 BSODYZSSXDJVGG-ATVHPVEESA-N 499.474 3.895 50 10 JHGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F 1084212999 CXRLJHKKSKBCSO-UHFFFAOYSA-N 455.290 3.680 50 10 JHGE C[C@H]1CCC(C(=O)Nc2cccc3ccccc23)=C2NC=C(C(=O)N/N=C/c3ccccc3)C(=O)N21 1088707335 DQYSHLSSMPVQAY-PCHPKZPRSA-N 479.540 3.638 50 10 JHGE C[C@H](Cc1ccccc1)N(C)CC(=O)NN=C1C(=O)N(C(=O)Nc2ccccc2)c2ccccc21 1088719415 FZPWTPYTEVMUSR-LJQANCHMSA-N 469.545 3.649 50 10 JHGE C[C@@H](C(=O)NNC(=O)c1ccc2ccccc2c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851681 GECPEKWECGYPSG-CABCVRRESA-N 460.559 3.758 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c(C(C)(C)C)c1 1865852293 RRWKIMDADATLRW-INIZCTEOSA-N 496.633 3.730 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@@H](CBr)C2(CCC2)C1 1914493719 RRHPASCCILKYDD-SNVBAGLBSA-N 450.114 3.634 50 10 JHGE O=C(N[C@H](CCBr)C(F)(F)F)c1ccc(F)cc1I 1918554995 WFXVCLHPBGAMBV-SECBINFHSA-N 453.999 3.876 50 10 JHGE O=C(c1csc(I)c1)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924241318 JMCKKBMWFNQTMM-GXFFZTMASA-N 456.143 3.511 50 10 JHGE Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=CC(=O)OCC(=O)NNC(=O)c1ccccc1 2040428963 KJFKSCHVKOVJRY-UHFFFAOYSA-N 487.343 3.564 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@H]1[C@@H]2CBr 2082881359 AONOWZJTKUCREE-XXFPWJFMSA-N 484.957 3.909 50 10 JHGE COc1ccc(C(=O)NNC(=O)C=Cc2cccc3ccccc23)cc1I 2293715978 DRHQZWOMTYJFAS-UHFFFAOYSA-N 472.282 3.927 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)C1(C(=O)O)CCC(NC(=O)OCc2ccccc2)CC1 2321853693 SGDIJXUIDIDIAR-JOIKAWEESA-N 453.377 3.784 50 10 JHGE CN(C)[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1Br 2325225765 ITONCKGSCFVVKU-YPMHNXCESA-N 488.005 3.563 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CCC[C@](CBr)(C2)C1 2357619281 YCVMVIMKRFGVRQ-HTAPYJJXSA-N 497.455 3.670 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Cl)c(Br)c1 12489348 KYCSOFJJBILXHY-UHFFFAOYSA-N 484.803 3.940 50 10 JHGE O=C(Cc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14030907 SRTFAJOGLLNIBE-UHFFFAOYSA-N 453.951 3.797 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)c(C)c1 14660337 GIHWTKUSVWYPNS-UHFFFAOYSA-N 494.411 3.568 50 10 JHGE COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)cc1OC 33959243 VKTURVVCHXXEQR-JFLMPSFJSA-N 494.500 3.713 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@H](C)O[C@H](C)C3)nc12 34687784 YDIJORGUJIVUFH-HXHKZXPTSA-N 498.992 3.608 50 10 JHGE CC(C)(CCl)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CC1 34787019 KFQYBHMHDHXJKQ-JOCHJYFZSA-N 460.043 3.631 50 10 JHGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)cc1OC 40826345 URXOKFGGHOUWNK-VUTHCHCSSA-N 491.544 3.754 50 10 JHGE COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(OC)c1 58990064 NVXUXHQVAQDKIX-CVKSISIWSA-N 474.546 3.589 50 10 JHGE O=C(Cn1c2ccccc2c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 59462318 XIFFRPIJWCNYIU-WGOQTCKBSA-N 457.490 3.690 50 10 JHGE COc1cc(C=NNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)ccc1OCC(N)=O 252623659 OWLYQPLHGSYPBQ-UHFFFAOYSA-N 477.304 3.593 50 10 JHGE COc1cc(C=NNC(=O)CNC(=O)c2ccccc2C)ccc1OC(=O)/C=C\c1ccccc1 254449245 FIYOVVNIRCPPOI-ZKWYJFJOSA-N 471.513 3.503 50 10 JHGE Nc1cc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)ccc1O 382732221 VCLBGFBGZDLSRH-HOTGVXAUSA-N 452.292 3.762 50 10 JHGE FC(F)(F)Oc1c(I)cc(I)nc1CCl 396186479 WMEITVFFHFPIFZ-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(Br)cc1)c1ccc2c3c(cccc13)CC2 1084042867 DQSYGBHAKARTAB-UHFFFAOYSA-N 486.391 3.617 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(OC)c1 1084340980 DPAPCMOXFLBMGP-UHFFFAOYSA-N 472.589 3.786 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(OCC(F)(F)F)c2C)cc1 1465536793 IPFXGWGVLDFWIO-CQSZACIVSA-N 453.417 3.759 50 10 JHGE O=C(/C=C/c1ccccc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858958610 IGEAFIRPBIKQCG-MDWZMJQESA-N 499.476 3.541 50 10 JHGE CCCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc(SC#N)cc1 1866872708 ZNRCIYWODUODAM-UWJYYQICSA-N 450.564 3.926 50 10 JHGE COC(=O)c1cc(Br)cc(Br)c1NC(=O)[C@@H]1C[C@H]1Br 1887725989 WCOBJCXODAPKBJ-HTRCEHHLSA-N 455.928 3.720 50 10 JHGE COC(=O)Cc1cc(CBr)cc(OC(F)(F)F)c1I 2055375394 JXHXSKZBJWRCFE-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE O=S(=O)(N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21)c1cc(Br)ccc1Br 2166864983 LMZRLERPDFODPB-UGKPPGOTSA-N 488.039 3.909 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c1CBr 2179789655 TXWPTXIHIFVLDN-SFHVURJKSA-N 455.418 3.934 50 10 JHGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cn1 2179824090 QQSWHMQPLKBCDA-LJQANCHMSA-N 452.418 3.652 50 10 JHGE O=S(=O)([C@H](CBr)C1CC1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 2179832247 IEHJPYVWNLGSQV-HXUWFJFHSA-N 455.462 3.868 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185294050 RYQAJADVSODYFH-TVYUQYBPSA-N 470.532 3.712 50 10 JHGE C[C@H](Br)C[C@@H]1COCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2185297567 OINGQBRJAGMKFS-JGVFFNPUSA-N 467.632 3.727 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](OCCCCl)C1 2207054158 USTFCUJHUSQKBB-LLVKDONJSA-N 472.548 3.914 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)Cc1cccc(Br)c1 2226104632 JPNLMKJJNKYDGI-UHFFFAOYSA-N 478.044 3.807 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)CC12CCCC2 2232243048 JZZXPGDZSJQJFZ-MRXNPFEDSA-N 483.428 3.565 50 10 JHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 2313619181 JVUKCTZCANXPCF-UHFFFAOYSA-N 464.591 3.863 50 10 JHGE CC(C)C[C@@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823698 DNZQPXXTMVAEHC-MRXNPFEDSA-N 473.433 3.572 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)C=Cc4ccc(Cl)cc4)c(=O)c23)C1 2325886167 BWRAYAHZFYUMAQ-KBPBESRZSA-N 470.982 3.658 50 10 JHGE CC[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2338833961 SEGIGIKJSQXNQH-SJORKVTESA-N 485.444 3.526 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCCC[C@@H](CBr)C1 2338864516 WEIBOSIRBRPJJH-QMMMGPOBSA-N 457.992 3.582 50 10 JHGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 9580356 KTVOJCKTEMULPR-WOJGMQOQSA-N 465.506 3.595 50 10 JHGE COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1OC 10038566 PIFGMXZSVCSWTH-UXBLZVDNSA-N 477.355 3.829 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cccc(OC(C)C)c3)cc2)c1 10471856 YETSFXWRHQYVIE-UHFFFAOYSA-N 490.585 3.984 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38650335 LEOMVGQPRUXAHN-XMMPIXPASA-N 473.441 3.806 50 10 JHGE CC[C@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 126881548 GNUGKHMNWBGQDO-QMMMGPOBSA-N 464.017 3.972 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CCCN(CCBr)CC1 232487659 JXCLXNRBPCKYAG-UHFFFAOYSA-N 475.044 3.816 50 10 JHGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1OC 254760708 COHYMNVMVSHFDQ-UHFFFAOYSA-N 488.569 3.954 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](CCC(N)=O)C2)c(-c2ccc(Cl)cc2)n1 727107949 IAJQJYPQQHNVGH-NFBGKYEXSA-N 464.957 3.528 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c(-c2ccccc2)n1 914469763 GJINBJIOVKHOOL-QNGOZBTKSA-N 478.512 3.658 50 10 JHGE C=CCN1CCC(NC(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1 1226833906 JTQARAXBVRAGCA-UHFFFAOYSA-N 456.612 3.919 50 10 JHGE C=CCN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=NNC(=O)Cc1ccccc1 1772718959 YGUSHODXFHEKLZ-TYHFKYJTSA-N 497.374 3.504 50 10 JHGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 2201193443 BTGKCPAITFLOAA-UFBFGSQYSA-N 455.090 3.937 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2233854379 RLLOPZREXMTMJV-GJYPPUQNSA-N 497.455 3.524 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268344188 ZJFXAVYATGDCGU-NXEZZACHSA-N 458.521 3.569 50 10 JHGE COc1cc(C=CC(=O)NNC(N)=S)cc(Br)c1OCc1ccccc1Cl 2294609547 BXVNIHXBHNXJCM-UHFFFAOYSA-N 470.776 3.568 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)cc1 2296727575 OORMRQFNVJUYOI-UHFFFAOYSA-N 452.518 3.858 50 10 JHGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 2313624987 NUPDDKQNXNGVEC-LBPRGKRZSA-N 468.362 3.505 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@H](NC(=O)OC(C)(C)C)C1 2322068823 LPJDGKHYPVIREI-YCRPNKLZSA-N 493.692 3.773 50 10 JHGE CCCOc1ccccc1C=CC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 2325886506 MLNVXXXJBZHRCW-IRXDYDNUSA-N 494.617 3.793 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2CCc3nccn32)C1 2326869446 LFKLBZZECRAISJ-KDOFPFPSSA-N 461.344 3.592 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CC[C@H](Br)C1(C)C 2338670253 OCNWQVYVUOVSFP-BQBZGAKWSA-N 457.992 3.627 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCCBr)C1CCC1 2338833193 JOLZFGFXUPNKTG-UHFFFAOYSA-N 485.444 3.812 50 10 JHGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CCOCCI)[C@H](C(F)(F)F)C1 2351591957 XBKAZGMXGJNIKW-KGLIPLIRSA-N 494.336 3.996 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NS(=O)(=O)c1ccc(CBr)cc1 2354689448 MLQRJEYRHULUDM-DIECFANBSA-N 459.406 3.552 50 10 JHGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNS(=O)(=O)c1ccc(CBr)cc1 2355435603 UMZZHEKCUCTVDH-INMHGKMJSA-N 459.406 3.648 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CCC[C@](CCl)(C2)C1 2357623769 HIIACICGZUEYQC-HTAPYJJXSA-N 453.004 3.514 50 10 JHGE COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)CNc2ccc(C)cc2)cc(OC)c1OC 655629 AJTQQMFTLOETPQ-RWPZCVJISA-N 477.517 3.802 50 10 JHGE O=C(NNC(=O)c1ccccc1I)c1ccc(OCc2ccccc2)cc1 14027840 FZAXTAZQGHFCMN-UHFFFAOYSA-N 472.282 3.945 50 10 JHGE CCOc1ccc(/C=N/NC(=O)c2ccoc2C)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20615931 ZUVWMQCSMDVROM-PPXFMJSBSA-N 474.561 3.532 50 10 JHGE biogenic Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C 913037254 UNNBJWSUAUDVCC-GOSISDBHSA-N 472.517 3.612 50 10 JHGE COc1cc(C=NNC(=O)c2ccc(O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084583756 SARVOLSKPVRUJV-UHFFFAOYSA-N 452.379 3.773 50 10 JHGE CCCCC1CCC(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)CC1 1860770030 QAZFZJAJAOGXTD-KLAILNCOSA-N 458.628 3.727 50 10 JHGE C[C@@H](Br)[C@@H](NC(=O)c1ccc(F)cc1I)C(F)(F)F 1882650439 CBXNYZLYXBJFQV-MLUIRONXSA-N 453.999 3.874 50 10 JHGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1914352120 ZCORZPHPEWERDX-QGZVFWFLSA-N 493.423 3.678 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@](F)(CBr)C1 1917122962 NMKQQSLRZZANFW-NSHDSACASA-N 479.991 3.709 50 10 JHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)C(F)(F)F 1923419561 LLJYTKDIILGGMT-IBGZPJMESA-N 463.456 3.650 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(CBr)CCCC1(C)C 2094157143 WTNJTXVDAYSNKZ-NRFANRHFSA-N 485.444 3.572 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H](CCBr)O1 2179380538 HMHCHOKJFIEYSE-SFYZADRCSA-N 467.632 3.727 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@]2(C[C@@H](Cl)CO2)C1 2201776586 CLOJGDJMKCLFOT-YGRLFVJLSA-N 470.532 3.666 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)Cc1ccsc1Br 2219011642 WPCQACGPQULKLI-UHFFFAOYSA-N 491.520 3.836 50 10 JHGE COCCn1nc(Br)nc1N(Cc1ccccc1)[C@H](CBr)C1CC1 2307992444 CDUWPRMTOKLGKQ-OAHLLOKOSA-N 458.198 3.867 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)cc1 2313653172 YGPOMKXDGSDAJF-UHFFFAOYSA-N 458.971 3.818 50 10 JHGE CC[C@@H](C)[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316816123 WTFIWZQCEWZZDJ-CRAIPNDOSA-N 473.433 3.572 50 10 JHGE CC(C)Oc1cccc(C=CC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 2325890516 SMNCOYHCAVZARJ-UHFFFAOYSA-N 488.569 3.773 50 10 JHGE CC[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2338833958 SEGIGIKJSQXNQH-DLBZAZTESA-N 485.444 3.526 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2S(=O)(=O)c1ccc(CBr)cc1 2355418369 VCPSZJWWHGWSKY-UXLLHSPISA-N 459.406 3.648 50 10 JHGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 12502454 LJHNIVITZVVKIF-UHFFFAOYSA-N 478.357 3.626 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)ccc1Cl 13979807 CIVSBLCEMIBJAU-UHFFFAOYSA-N 467.978 3.881 50 10 JHGE CCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 33959253 FONKAJSDTZFWGR-MFKUBSTISA-N 458.511 3.971 50 10 JHGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1cc(=O)n2nc(C)sc2n1 50806581 PJAFYPSIDUNHLA-SXGWCWSVSA-N 470.514 3.988 50 10 JHGE O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)Nc1ccc(Br)cc1 59679115 VRPKIBVAKDZPBI-VXLYETTFSA-N 472.137 3.797 50 10 JHGE O=C(NC1(CCl)CCOCC1)c1cc(I)ccc1Br 230745939 VHVXCEOSDFEJEP-UHFFFAOYSA-N 458.521 3.572 50 10 JHGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NN=Cc1ccc([N+](=O)[O-])cc1 254402377 BDNBNKURWBASPU-UHFFFAOYSA-N 471.561 3.842 50 10 JHGE CC(C)OCCCn1c(NNC(=O)c2csc(Br)c2)nc2ccccc2c1=O 729279571 IFYORRUJPDGUCJ-UHFFFAOYSA-N 465.373 3.793 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@](C)(C(=O)OC)c2cccc(Br)c2)c1C 730992964 HGSQICFNEHKLGR-KELOHDTKSA-N 488.382 3.625 50 10 JHGE COCCCNC(=O)C1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 920741415 AAIPCEUONGCETN-JWGURIENSA-N 466.557 3.532 50 10 JHGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1084492921 VVTLOZCAVXNPPZ-UHFFFAOYSA-N 494.935 3.763 50 10 JHGE CCOC(=O)Cc1nc(OC(F)(F)F)c(CBr)cc1I 1848387598 GRVUYASMUKDIBV-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771186 MLNVXXXJBZHRCW-NUKLPVDDSA-N 494.617 3.793 50 10 JHGE O=C(Cc1ccc(Cl)c(Cl)c1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1865852319 SAKUXZJFABXQLJ-UHFFFAOYSA-N 487.368 3.822 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NCC2(CBr)CCOCC2)C1 1877590689 WQFQJSIEFKRLSM-OXWSONJVSA-N 453.443 3.579 50 10 JHGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CC(Br)C1 1893137158 PEJLUHTVEOQLBA-IWCVFHTOSA-N 455.393 3.775 50 10 JHGE C[C@H](Br)[C@@H]1C[C@H]1NC(=O)c1cc(I)ccc1Br 1908468103 NJRULKRAYDFATN-GEOGLEFRSA-N 472.946 3.955 50 10 JHGE CC[C@H](Br)CN(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 1915083993 RWGHFUFJBFUKEL-INIZCTEOSA-N 474.442 3.674 50 10 JHGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1916342288 MVLMDQFZDQKWDZ-HXUWFJFHSA-N 493.025 3.539 50 10 JHGE Cc1nc(I)c(I)n1-c1cncc(F)c1CCl 1941545880 PZDMGEQJFFGCAA-UHFFFAOYSA-N 477.446 3.663 50 10 JHGE O=C(NC[C@H]1C[C@H]1CBr)c1ccc(Br)cc1I 2026222164 VCSSGHOFFOLZCX-JGVFFNPUSA-N 472.946 3.815 50 10 JHGE O=C(NCC[C@@H]1COC[C@H]1Br)c1cccc(Br)c1Br 2111327693 HQVYSSHXKMWTLD-LDYMZIIASA-N 455.972 3.741 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(CBr)cc2)C1 2162603508 XPALFSWAEQRXOS-ZBFHGGJFSA-N 461.422 3.943 50 10 JHGE O=S(=O)(N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F)c1ccc(CBr)cc1 2193240990 XDOUJCLMOXEYEI-ROUUACIJSA-N 459.356 3.626 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1cc(Cl)ccc1I 2206483566 FHEXVILZVOVEFS-NEPJUHHUSA-N 470.532 3.759 50 10 JHGE CS(=O)(=O)CC1CC(O[C@@H](CI)c2ccc(Br)cc2)C1 2207479390 ZOAQQMJGYJAZPH-DBRPNBKGSA-N 473.170 3.765 50 10 JHGE COc1cc(C=CC(=O)NN)cc(Br)c1OCc1cccc(Br)c1 2314014516 PIOYZTOXDHLMPT-UHFFFAOYSA-N 456.134 3.802 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(O)cc(Br)c1 2361684425 OBEKJINTVRNGNI-UHFFFAOYSA-N 469.998 3.590 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)c(Br)c1 10283503 IRYVECBLZYDXFZ-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)Cc3ccc(Cl)cc3)cc2)c1 14002203 VSZAPBMHHBSVEB-UHFFFAOYSA-N 480.977 3.779 50 10 JHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2)cc1 14029164 SPPYQLTYDPCIAM-UHFFFAOYSA-N 457.596 3.923 50 10 JHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)c1 14041956 AYOMFWXDPVNKRE-UHFFFAOYSA-N 451.548 3.733 50 10 JHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)CC1 40811585 MBYXWEPLDNGPMW-NLRVBDNBSA-N 471.941 3.737 50 10 JHGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)c(OC)c1 207008957 NDMXPEXFQIGCRQ-HCYZRJLASA-N 494.544 3.779 50 10 JHGE C[C@H](NC(=O)/C(C#N)=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)C12CC3CC(CC(C3)C1)C2 217056899 ZWNAKJWWCUGGCV-APZKLPHASA-N 476.621 3.661 50 10 JHGE COc1c(OC(C)=O)ccc(C=NNC(=O)COc2ccccc2-c2ccccc2)c1[N+](=O)[O-] 254744316 QHODBSGTFTXUIL-UHFFFAOYSA-N 463.446 3.725 50 10 JHGE COc1cc(I)cc(CBr)c1I 307424470 DHQSOPFRKNTVPR-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=Cc1sccc1C)S(=O)(=O)c1ccccc1 1084035029 FPKUUAYTSSHEEK-UHFFFAOYSA-N 457.577 3.801 50 10 JHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccc1 1084259741 SPVQZNIABMWPDW-UHFFFAOYSA-N 455.967 3.724 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc(CNS(=O)(=O)c2ccc(CBr)cc2)cn1 1260514001 RXQGYKSHKCSLGT-UHFFFAOYSA-N 456.362 3.802 50 10 JHGE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)c1ccc[nH]1 1463737256 MBJYGNCDFJPWIN-QHCPKHFHSA-N 458.518 3.649 50 10 JHGE CC(=NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 1565518043 YTAIATGWDUTRQT-MZIVLCRGSA-N 472.457 3.635 50 10 JHGE CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNc1ccc(Br)cc1C(F)(F)F 1615038167 DISTZJFOZMNXPT-QGZVFWFLSA-N 456.262 3.884 50 10 JHGE COc1ccc2c(c1)C(=NNC(=O)CCCCCNC(=O)c1ccccc1)C(=O)N2CCC(C)C 1772719893 LNGOQOSLCKAJPB-UHFFFAOYSA-N 478.593 3.899 50 10 JHGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NCC2(CBr)CCOCC2)C1 1877590688 WQFQJSIEFKRLSM-JZOGHIHUSA-N 453.443 3.579 50 10 JHGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1c(Br)cccc1Br 1878695610 JOEPPYNWOODDPK-KWQFWETISA-N 455.972 3.741 50 10 JHGE C[C@@H]([C@@H](Br)c1cc(Br)sc1Br)S(=O)(=O)N(C)C 1941948609 QGOBWUCUDPAPRQ-YLWLKBPMSA-N 470.046 3.989 50 10 JHGE CC[C@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2036791129 PLRSNBBWGASEKX-MRVPVSSYSA-N 464.017 3.911 50 10 JHGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1cc(I)c(OC)c(OC)c1 2053525647 PNQTZDLELIZYIG-UHFFFAOYSA-N 492.269 3.641 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1c(Br)cccc1Br 2094087991 GIWTWELCFQHCGY-RKDXNWHRSA-N 455.972 3.836 50 10 JHGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CBr)ccn2)C1 2179817403 PJIJZXREOXAWED-DLBZAZTESA-N 452.418 3.508 50 10 JHGE C[C@@H](Br)COCc1cn(-c2cc(I)ccc2Cl)nn1 2278380457 MQDIEARRTLYSCF-MRVPVSSYSA-N 456.509 3.825 50 10 JHGE C[C@H](Br)COCc1cn(-c2cc(Cl)ccc2I)nn1 2278383603 TXVRFILLGGZCMG-QMMMGPOBSA-N 456.509 3.825 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCC(CO)(CCl)CC1 2280209684 WRPFXZDWDHQAKF-UHFFFAOYSA-N 472.548 3.507 50 10 JHGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3ccccc32)cc1 2296654292 LZWDVVJOVUNRGT-UHFFFAOYSA-N 495.583 3.801 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCCOC(C)C)c(Oc3ccccc3F)nc12 2296721735 LJIAGJBEMVGFMA-UHFFFAOYSA-N 464.497 3.773 50 10 JHGE CCCCCOc1ccc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 2314620522 PRVANNCNJBAXIS-UHFFFAOYSA-N 454.523 3.810 50 10 JHGE CCOc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc(Cl)c1OC(C)C 2323098333 WEPQEALVLNGWIV-UHFFFAOYSA-N 456.930 3.845 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1CCC(Br)CC1 2338849281 GMAOFUMMTMHSTJ-UHFFFAOYSA-N 485.444 3.716 50 10 JHGE CS(=O)(=O)C1CC(CO[C@H](CI)c2ccc(Br)cc2)C1 2380701952 LUZLDRNCQBMJRK-UZANAETPSA-N 473.170 3.765 50 10 JHGE Cc1ccccc1NCC(=O)N/N=C/c1cc(Br)cc(I)c1O 1213859 VHJGEIIPZFCGSY-DNTJNYDQSA-N 488.123 3.630 50 10 JHGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)c1 10671610 CWVULZPYYWKKGN-CQSZACIVSA-N 494.411 3.649 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)N/N=C2/C(=O)Nc3cc(Br)c(C)cc32)cc1C 12581271 YUBWDBRNUBCUHV-UHFFFAOYSA-N 457.328 3.566 50 10 JHGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1 20076086 FQOCBQYUOFCWRQ-CCVNUDIWSA-N 481.464 3.969 50 10 JHGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 38650181 ZMNMIMDNWWKMDL-XMMPIXPASA-N 473.441 3.806 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(O)c(OCC)c2)cc1 58892946 GKQMOXYAIVWUSP-VLZFXTDASA-N 465.344 3.916 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2cc(Br)ccc2O)cc1 59501730 DVEAIXUJHNNZER-YDZHTSKRSA-N 489.347 3.995 50 10 JHGE O=C(NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccc(-c2ccc(F)cc2)s1 107931115 PVTDCYYSHHQKRY-GOSISDBHSA-N 483.540 3.936 50 10 JHGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 207139380 UTZLSUZLQNSONR-HKWRFOASSA-N 450.535 3.947 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(c2ccccc2F)CC1 217241090 IFHYOTCSKBJCFQ-HNENSFHCSA-N 450.514 3.951 50 10 JHGE COCCN(CCBr)C(=O)c1cc(I)ccc1Br 234755354 XDQIVIPQEQXPHV-UHFFFAOYSA-N 490.961 3.537 50 10 JHGE COc1ccc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1COc1ccc([N+](=O)[O-])cc1 252611073 IGYJPBYSKMTMCA-UHFFFAOYSA-N 464.434 3.783 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccncc3)n2-c2ccccc2)cc1OC 254510729 IQMXZBYXIGUBCI-UHFFFAOYSA-N 488.573 3.979 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCSC[C@@H]1CCl 387953914 WYLCVCIZOXFXOB-VIFPVBQESA-N 460.562 3.850 50 10 JHGE COC[C@](C)(CCl)N(C)C(=O)c1cc(Br)ccc1I 689285660 BIULLEHXFCAOEC-ZDUSSCGKSA-N 460.537 3.770 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)n1C[C@@H]1CCCO1 743662800 AQAAZHJZUFKYPW-FOOJEKODSA-N 497.617 3.971 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)c2cc(C)cc(C)c2)cc1 920853893 HCKQHGXHYMSTFH-ZHZULCJRSA-N 457.534 3.621 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(C(=O)O)c1OC 1081168747 YWEYJSZQTOOQFK-UHFFFAOYSA-N 461.474 3.727 50 10 JHGE Cc1ccc(C)c(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3cc(C)ccc3C)cc2)c1 1084047295 QXNPSVYMMOJAAN-UHFFFAOYSA-N 486.572 3.978 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084247880 OYPPZDQACHRERE-UHFFFAOYSA-N 477.586 3.901 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)cc1 1084613235 VMYBRPKUXRHMHL-UHFFFAOYSA-N 488.997 3.672 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(CBr)cc1 1260507484 LWCHMYOXWOQMNK-MUJYYYPQSA-N 459.406 3.790 50 10 JHGE C#CC[C@@H](COC)NC(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1470960601 ZPFFJOCXWPHWIC-QHCPKHFHSA-N 457.530 3.915 50 10 JHGE C=C(C)[C@@H](NC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccc(F)c(F)c1 1478470551 GUOMXFGTWPGPKE-LJQANCHMSA-N 455.465 3.517 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)c1 1644011738 NZQBAOTYCLTIJA-UHFFFAOYSA-N 453.930 3.766 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Cl)cc2Br)cc1 1675282773 ATQYUVUVNQKZIA-LLVKDONJSA-N 454.708 3.925 50 10 JHGE C[C@H](C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772228 VOLYWNQTPDBMNU-CQSZACIVSA-N 452.580 3.657 50 10 JHGE C[C@H](C(=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CCCC3 1860773746 DCRYDXNUFICHOR-AKJPKQNRSA-N 459.915 3.610 50 10 JHGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 1873496330 MNHDBJFSNNVQJI-UXHLAJHPSA-N 497.507 3.958 50 10 JHGE C[C@@H](CBr)CS(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 1882579126 MWMKLQDBCUYDOB-IBGZPJMESA-N 453.446 3.981 50 10 JHGE C[C@H]([C@@H](Br)c1cc(Cl)ccc1I)S(=O)(=O)N(C)C 2029073630 FVUOJDWYYIDDLF-RDDDGLTNSA-N 466.566 3.661 50 10 JHGE C[C@@H](Br)[C@H]1CN(C(=O)c2scc(Br)c2Br)CCO1 2053846871 VVDGWPHKWDORQM-HTRCEHHLSA-N 462.001 3.898 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCO[C@H](CCCl)C1 2116238717 MFGDAOUOHDLMDW-SNVBAGLBSA-N 458.521 3.524 50 10 JHGE CC(C)(C)OC(=O)N1CCc2ccc(NS(=O)(=O)N3CCC(Br)CC3)cc21 2162603324 VUNXCFLURRFBRB-UHFFFAOYSA-N 460.394 3.500 50 10 JHGE O=S(=O)(N[C@H](CBr)c1cscn1)c1c(Cl)cccc1Br 2175670752 KUQONSKHZRYBQT-SECBINFHSA-N 460.600 3.974 50 10 JHGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1ccc(I)c(O)c1 2208040612 UBDIVRHVJDYUNB-CABCVRRESA-N 450.114 3.682 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NC1CC(Br)C1 2221687609 FKZQCVPPKNRETA-SSDMNJCBSA-N 476.209 3.927 50 10 JHGE Cn1ncc([C@H](Br)Cc2ccc([N+](=O)[O-])cc2F)c1I 2237447309 ZDXICXVWDCEEDI-SNVBAGLBSA-N 454.037 3.751 50 10 JHGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 2297554607 KQZGUXDWNMVYSU-UHFFFAOYSA-N 487.519 3.546 50 10 JHGE Cc1nc2scc(C)n2c1C=NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325903146 AKQNGFJBWGTFSG-BXUZGUMPSA-N 468.608 3.620 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC2(CC[C@H]1CBr)CC2 2364021140 YXSRGGTXSNFKQS-QMMMGPOBSA-N 470.003 3.725 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2364228770 QRCQLJNHVMYMEX-XHNCKOQMSA-N 470.003 3.581 50 10 JHGE COCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 2423675 NNJIJKFUEZMWGK-SSZFMOIBSA-N 497.349 3.617 50 10 JHGE Cc1ccc(-c2csc3[nH]c(SCC(=O)N/N=C4\C(=O)Nc5ccccc54)nc(=O)c23)cc1 2613909 GSVTUGNIZIFWCR-UHFFFAOYSA-N 475.555 3.525 50 10 JHGE N#CSc1ccc(NC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 16213716 ROGLCQVABASMHT-UHFFFAOYSA-N 469.013 3.743 50 10 JHGE Cc1ccc(C)c(OCCn2cc(/C=C(/C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)c1 33932585 AUVGBWCQGCDANY-JWGURIENSA-N 470.573 3.968 50 10 JHGE C[C@@H](C(=O)NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)N1C(=O)c2ccccc2C1=O 40844454 CSALWBZOHOMSOT-KRWDZBQOSA-N 479.577 3.611 50 10 JHGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)cc1 102847603 XFSLOXQRUMOGDX-CYVLTUHYSA-N 476.533 3.642 50 10 JHGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1OCC 217173849 UZSUTRRUSWFDFP-HGBKYHTQSA-N 467.566 3.918 50 10 JHGE CC(=O)Nc1cccc(C(C)=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 254530061 BBELJNJTFZRLJP-UHFFFAOYSA-N 478.574 3.765 50 10 JHGE O=C1[C@@H](Br)CCCN1c1cc(I)ccc1Br 300904499 NBDGYKZZMJAQQW-VIFPVBQESA-N 458.919 3.944 50 10 JHGE Cn1cc(Br)c([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)n1 693045585 YMBCZDBWTDWAID-LBPRGKRZSA-N 463.955 3.924 50 10 JHGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865710653 DJQKLFOUIVYVEX-QFIPXVFZSA-N 450.470 3.623 50 10 JHGE O=C(NC[C@@H]1C[C@H]1CBr)c1cc(Br)ccc1I 1907255171 OJXNLDRUXZWMRO-YUMQZZPRSA-N 472.946 3.815 50 10 JHGE Cc1nc(I)c(I)n1C[C@H](CBr)C1CC1 1928099047 RYLZABCFCPOJFP-QMMMGPOBSA-N 494.940 3.822 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2csc(Br)c2Br)C[C@H]1Br 2067190861 HQZWXOIXQIQSQK-UIISKDMLSA-N 462.001 3.944 50 10 JHGE CCCN1CC[C@H]([C@H](Br)c2ccc(F)cc2I)S1(=O)=O 2145768508 MJGPSUSHBOYFCN-CHWSQXEVSA-N 476.149 3.680 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1c(Br)cccc1Br 2178906612 KWYDFFQXUNLNAF-UWVGGRQHSA-N 469.015 3.751 50 10 JHGE O=C(c1cccc(F)c1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190673290 GOWYITPFFRQQAS-HSDOENETSA-N 456.068 3.909 50 10 JHGE CCN(C[C@](C)(CI)OC[C@@H]1CCCN(C)C1)C(=O)OC(C)(C)C 2214887399 VYALJZWBEOBLHF-QAPCUYQASA-N 454.393 3.796 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1C[C@@H](Br)C1 2221684997 ZCTDOIIMONDRSA-QLFBSQMISA-N 476.209 3.927 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H](CCCBr)C1 2225817138 OBEXENPQOUCYDC-QGZVFWFLSA-N 485.444 3.670 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295313912 QSQLFBVTVRQTFQ-QWHCGFSZSA-N 469.999 3.765 50 10 JHGE CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)C1=CNc1ccc(Cn2cncn2)cc1 2297471574 ATJNCSVQTINPRY-UHFFFAOYSA-N 477.528 3.555 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(Cc2ccc3c(c2)OCO3)CC1 2325311284 YFDHITZLHQZCBM-UHFFFAOYSA-N 490.560 3.536 50 10 JHGE C[C@H]1CC[C@](CBr)(NC(=O)c2c(Br)c(Br)nn2C)C1 2338690973 MZTSHIJLZKFKSR-MADCSZMMSA-N 457.992 3.629 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CBr 2338842269 HFXNMDROZDWCAH-DLBZAZTESA-N 485.444 3.526 50 10 JHGE CC(C)[C@@H]1C[C@](C(=O)O)(N(C)CC2CC(Br)C2)CN1C(=O)OCc1ccccc1 2350753827 NLKULGJOVPGTRD-VLMZZQAOSA-N 467.404 3.982 50 10 JHGE O=S(=O)(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)ccc1Br 2354928286 LMZRLERPDFODPB-UYAIAHHASA-N 488.039 3.909 50 10 JHGE C[C@]1(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@H]2Cl 2380919070 RKOQWDTZTWUMPF-LQLPYNBSSA-N 453.004 3.558 50 10 JHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 13978658 DTMCDVVCDOBPFH-XNTDXEJSSA-N 472.570 3.905 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40649182 AJIVBNONUJLSTE-UHFFFAOYSA-N 474.231 3.556 50 10 JHGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658140 RVQFSGYVWFFTBP-UHFFFAOYSA-N 486.448 3.783 50 10 JHGE COc1cc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)cc(Br)c1O 40910440 HSBWPSRSBNOLLH-DNTJNYDQSA-N 472.133 3.763 50 10 JHGE N#CSc1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1[N+](=O)[O-] 108491212 HSGPRMXSBDQTKU-LFIBNONCSA-N 459.443 3.900 50 10 JHGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 254867625 KMXWVHVGZFFQTB-UHFFFAOYSA-N 473.514 3.926 50 10 JHGE COc1cc(-c2cc(C(=O)NNC(=O)Cc3cccc(O)c3)c3ccccc3n2)cc(OC)c1OC 725879568 JRSLSHBQBGRXSW-UHFFFAOYSA-N 487.512 3.637 50 10 JHGE Cn1cc(C(=O)Nc2ccc(OC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cc2)cn1 727807923 FDVVMYWMIDBDJF-XSFVSMFZSA-N 491.511 3.962 50 10 JHGE CC(=NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 730583407 LOFZPAQYBOCTRD-MRXNPFEDSA-N 497.602 3.709 50 10 JHGE C=CCOc1ccc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 916257332 NQDKOBWRMVFYFY-UHFFFAOYSA-N 465.531 3.825 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)c1cc(OC)ccc1Br)c1ccc(Cl)cc1F 1565000084 NVULPYPIVKQPEZ-INIZCTEOSA-N 454.683 3.569 50 10 JHGE C=CCOc1ccc(-c2nnc(SCC(=O)NNC(=O)c3cc(C)c(CC)s3)o2)cc1 1656360301 UAVZVZVSGSNOIS-UHFFFAOYSA-N 458.565 3.787 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2ccc(I)c(Cl)c2)[C@H]1Br 1911027718 VLHWMCGJSAVUGF-GHMZBOCLSA-N 458.521 3.615 50 10 JHGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1C(=O)Nc2ccc(I)cc21 1975073025 SXBWZZDFYMEMKU-NEPJUHHUSA-N 481.128 3.615 50 10 JHGE COC(=O)c1cc(I)c(I)cc1CBr 2055330727 GIPFWVVZRGBYFM-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE CCOC(=O)C12CCC(CI)(CC1)O[C@@H]2c1nn(C)cc1Br 2080420433 SBCCCXLWNQWIKS-LRVUVFPRSA-N 483.144 3.551 50 10 JHGE C[C@H](CBr)[C@@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089707338 MULOOSXFGHTXAL-APWZRJJASA-N 485.444 3.668 50 10 JHGE O=C(c1sccc1I)N1CCC2(CC1)C[C@H](Br)CO2 2116537698 GOPFLROEKKUNJG-VIFPVBQESA-N 456.143 3.511 50 10 JHGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2123233046 ZJLAIOBBWKEZND-CALCHBBNSA-N 455.443 3.989 50 10 JHGE O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC(F)(F)C[C@@H]1CBr 2159048874 INSWWHVLARVQNN-SSDOTTSWSA-N 453.530 3.896 50 10 JHGE C[C@]1(CBr)CC(F)(F)CN1C(=O)c1ccc(I)c(O)c1 2159048928 JASFGVLQPHXESO-GFCCVEGCSA-N 460.056 3.632 50 10 JHGE C[C@]1(F)CN(S(=O)(=O)c2cc(CCl)oc2Br)C[C@@]1(C)Br 2205656462 ULETWXXDNATWLP-MNOVXSKESA-N 453.555 3.667 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2CCO[C@]2(CBr)C1 2283665708 WXWSHMFYINACJV-IINYFYTJSA-N 470.532 3.571 50 10 JHGE O=C(NN=Cc1c(Cl)cccc1Cl)[C@H](Sc1nnc(O)nc1O)c1ccccc1 2323176822 KYMYZNCWUGEENQ-CQSZACIVSA-N 450.307 3.573 50 10 JHGE COc1ccc(CCNC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1 2324787343 VMUAAZRKQUESTD-UHFFFAOYSA-N 461.303 3.787 50 10 JHGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(F)cc3)cc2)n1 2329637073 OFUBLSJADYOIKD-UHFFFAOYSA-N 451.483 3.579 50 10 JHGE CC(=O)OCC(=O)[C@]1(O)[C@H](Br)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1685138 PWVPSOWELFUEGX-FCFLTHKLSA-N 467.400 3.755 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1 13977627 XQVYAHIKMQFCNK-UHFFFAOYSA-N 476.154 3.924 50 10 JHGE CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)[C@H]1c1cc(OC)c(OC)c(OC)c1 35576486 BZIIIGIWHZRWPC-HXUWFJFHSA-N 466.490 3.503 50 10 JHGE Cc1c(C(=O)Nc2nccs2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823067 GOVCQKIANXTRPA-ZMOGYAJESA-N 474.340 3.925 50 10 JHGE Cn1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 254618522 NPXBZQNPQPLOAO-QGSUJEDUSA-N 466.497 3.828 50 10 JHGE Cc1cc(C=NNC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1cc(Cl)ccc1Cl 725406669 LUNQKFCCHQNPQI-UHFFFAOYSA-N 458.349 3.953 50 10 JHGE C=CCN(CC(=O)NNC(=O)c1ccccc1Cl)Cc1cc(Br)ccc1F 1653290060 QNODVAXHFJMBOD-UHFFFAOYSA-N 454.727 3.691 50 10 JHGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2sc(Cc3ccccc3)nc2C)cc1OC 1865845062 GUHOOLSINJGJCA-ACCUITESSA-N 451.548 3.924 50 10 JHGE Cc1c(B(O)O)cc(CN=[N+]=[N-])cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887551546 MAVGSZVGLIUTPF-UHFFFAOYSA-N 497.364 3.556 50 10 JHGE CC(C)(CI)CN=[S@@](C)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1904650762 JRAAZDCCDMOQBD-ZLOXQWCVSA-N 458.406 3.945 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@]2(CCC[C@@H](CI)O2)C1 1924238121 WHKCTEPDWSTPBO-JCGIZDLHSA-N 451.345 3.919 50 10 JHGE Cn1ncc([C@@H](Br)Cc2ncccc2Br)c1I 1924861435 NITUWTGIOFNIGD-VIFPVBQESA-N 470.934 3.861 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)c2csc(Br)c2Br)C1 2032953295 GVRXZLLXZYAIHW-LLVKDONJSA-N 462.001 3.899 50 10 JHGE CN1CCC[C@H]([C@@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2089513899 HMAGUQQTHJBMDA-NEPJUHHUSA-N 478.577 3.758 50 10 JHGE Cc1cc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)sc1CBr 2123242717 ZZAOOTDYPVXCMM-CALCHBBNSA-N 455.443 3.704 50 10 JHGE CN1CCN(Cc2cc(Cl)ccc2I)[C@H](CCBr)C1 2138067461 RCKNIZBRMAZOIV-CYBMUJFWSA-N 457.581 3.846 50 10 JHGE C[C@H]1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2172463147 IUDDZYIDGCIXQS-GOEBONIOSA-N 461.422 3.895 50 10 JHGE CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2198079219 GRYIBRPKPXZWLK-HNAYVOBHSA-N 459.406 3.649 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@H](CBr)c2cscn2)c1 2232168078 XIOSXUWDPRGHOI-LLVKDONJSA-N 451.127 3.922 50 10 JHGE C=CC[C@]1(CBr)CCCN(C(=O)c2cc(I)sn2)C1 2272180027 UJWUILUBXBXJHJ-CYBMUJFWSA-N 455.159 3.941 50 10 JHGE C[C@@H](Cl)COCc1cn(-c2ccc(I)cc2Br)nn1 2278372880 MCMCUFNPEMPMDK-MRVPVSSYSA-N 456.509 3.778 50 10 JHGE Cc1cccc(C)c1O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14639286 VBQVXDIFQLKRLI-CQSZACIVSA-N 452.338 3.944 50 10 JHGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOC)cc2)cc1 14657336 BUBOSQOTSGYNFR-UHFFFAOYSA-N 473.595 3.620 50 10 JHGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)cc1 58988673 VOILRSHSNLLOQN-ZXVVBBHZSA-N 479.654 3.646 50 10 JHGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccncc1)c1nc3cc(Cl)c(Cl)cc3nc12 101106611 LASWKZAXRIFSOY-YTEVENLXSA-N 456.333 3.948 50 10 JHGE CSc1nnc(CCCNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)n1C1CCCC1 728133235 BNVLLTIYJJEYIL-UHFFFAOYSA-N 458.632 3.989 50 10 JHGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OC)c(OCC)c2)cc1 1084020212 SLELGWJZUMDTLO-UHFFFAOYSA-N 468.291 3.861 50 10 JHGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 1084601932 BEBZWHIQJWDTAX-UHFFFAOYSA-N 463.893 3.964 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)cc1 1476789189 HEIBLXIXHHGZNS-GFCCVEGCSA-N 459.915 3.681 50 10 JHGE C=CCC[C@H](NC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(C(F)(F)F)cc1 1633471965 YOKJSQYGBCUWOK-INIZCTEOSA-N 452.389 3.971 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc1 1670961269 TZWWTXRZHVQTPA-APPDUMDISA-N 459.371 3.569 50 10 JHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772747727 OHXLPKWTOCODSP-UHFFFAOYSA-N 461.478 3.652 50 10 JHGE CCOC(=O)c1cnc(CBr)c(I)c1OC(F)(F)F 1848387617 HZDUCYAHSUOFAT-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE Cc1cc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)n[nH]1 1866835340 LBSNIIWRTZKNQB-FQEVSTJZSA-N 451.577 3.962 50 10 JHGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1C[C@H]1Br 1877420548 ZAYUWVPDRCRWAR-DZJNRPSUSA-N 455.393 3.727 50 10 JHGE CC[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2114190862 WWKQPZHFZGYVEH-OALUTQOASA-N 485.444 3.811 50 10 JHGE O=C(NCc1nnc(CCl)s1)c1ccc(Br)cc1I 2142279302 OLCUZHUTKQNZTB-UHFFFAOYSA-N 472.533 3.574 50 10 JHGE COc1cc(CBr)ccc1S(=O)(=O)N(C)[C@H]1CC[C@@H]1OCc1ccccc1 2179859068 XVZMMQPGCQUYNE-ROUUACIJSA-N 454.386 3.958 50 10 JHGE Cc1ccc(C(=O)NC(C)(CBr)CBr)cc1I 2212989821 BBXJHJKQDWXXOE-UHFFFAOYSA-N 474.962 3.878 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCCCI)C2(CCOCC2)C1 2248242069 SBVWQXFTWLXQEE-OAHLLOKOSA-N 452.377 3.597 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 2314795698 IFNRESJJBCBXTP-UHFFFAOYSA-N 478.545 3.877 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355687595 JZJUSRLNAJMUTL-OASPWFOLSA-N 467.983 3.694 50 10 JHGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1ccc(Cl)cc1I 2365598716 CMYNWPJZDMHDDG-JTQLQIEISA-N 472.548 3.959 50 10 JHGE CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)O[C@@H](C)C2 57399688 LVMAEZMRMKHXIS-DORSJAEJSA-N 458.518 3.752 50 10 JHGE CC(C)(C)c1ccc(C(=O)N/N=C2/C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 59471833 ATILOCXZSFGQMZ-BGABXYSRSA-N 494.551 3.761 50 10 JHGE CC(=O)Nc1cccc(NC(=S)N[C@H](NC(=O)C(Cl)Cl)C(Cl)(Cl)Cl)c1 100917237 ANNUYZGIRQZTEI-NSHDSACASA-N 466.605 3.548 50 10 JHGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC 217237416 HJZKREFZJSOQTR-VZCXRCSSSA-N 466.557 3.511 50 10 JHGE CCOc1cc(C=NNC(=O)c2csc3c2CCCC3)ccc1OCCN1CCOCC1 254488408 DWQGCIDZVUAOHH-UHFFFAOYSA-N 457.596 3.501 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])s2)cc1OC 254739636 RMKXYXHYIFUAJS-OMIQGFNUSA-N 480.502 3.595 50 10 JHGE CCOc1cc(C=NNC(=O)CNC(=O)/C=C/c2ccccc2)ccc1OC(=O)c1cccs1 254839586 BIDFCSOEVJYZCA-JTCJXGLCSA-N 477.542 3.646 50 10 JHGE COc1cc(I)c(CBr)cc1I 307275031 POUYGTMAOGLGJC-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE Cn1ncc([C@H](Cl)c2cc3c(cc2Br)NC(=O)C3)c1I 379211898 NQXFQHDBAPRKIE-GFCCVEGCSA-N 466.504 3.610 50 10 JHGE C#CCOc1ccc(Br)c(C=NNC(=O)[C@H](C)Oc2cccc3cccnc23)c1 725274192 MCJNEEKDBOHEQD-HNNXBMFYSA-N 452.308 3.927 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 809850427 BYKCBXJJCUNAEF-UHFFFAOYSA-N 476.415 3.602 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 915831724 TVVWDCUMMMVPQE-UHFFFAOYSA-N 454.479 3.798 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746878 AZFSUTHKSDBBLD-UHFFFAOYSA-N 498.927 3.637 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772752155 WEPXMFQRUVRDPF-UHFFFAOYSA-N 461.474 3.788 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1O 1865682014 DCOHGHUDVWQXHS-IBGZPJMESA-N 453.296 3.876 50 10 JHGE Cn1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1ccco1 1867240311 NOADGHIMDJKUMQ-FQEVSTJZSA-N 487.541 3.939 50 10 JHGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)nn1C 1915114279 OCHXEVNXZARGEL-LBPRGKRZSA-N 465.211 3.547 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1ccc(I)c(Br)c1 2020198695 QDSWIOUJJLKGRK-BDAKNGLRSA-N 472.946 3.909 50 10 JHGE COc1ccccc1NS(=O)(=O)c1cc(NC=C2C(=O)OC(=O)c3ccccc32)ccc1C 2040470101 DOOCSMGOTPIOLS-UHFFFAOYSA-N 464.499 3.954 50 10 JHGE CCOC1(CBr)CN(C(=O)c2scc(Br)c2Br)C1 2052832001 LRHIPLQCTOGSOR-UHFFFAOYSA-N 462.001 3.899 50 10 JHGE COC(=O)Cc1cc(I)c(I)cc1CBr 2055333806 KEOZMAAAAFVFLT-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE N#CCc1cc(I)cc(I)c1CBr 2060168088 DVRSPZGMVWVESE-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC=C(CBr)CC1 2114581400 UWYXNNDNAXUPFQ-UHFFFAOYSA-N 474.012 3.927 50 10 JHGE CCCN1CCC[C@H]([C@@H](Br)c2cccc(I)c2)S1(=O)=O 2145775128 IPPGRSIQTZFXDU-KGLIPLIRSA-N 472.186 3.931 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1ccc(CBr)cc1)C(F)(F)F 2162592570 VVYYCNFGFXMQAZ-ZDUSSCGKSA-N 475.327 3.706 50 10 JHGE O=S(=O)([C@H]1CC[C@H](CBr)C1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179826448 SCGOTICTPSJSES-PMACEKPBSA-N 455.462 3.868 50 10 JHGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1cc(CBr)co1 2179835525 UPZKRBNMEFHVGA-BWTSREIZSA-N 453.402 3.991 50 10 JHGE Cc1ccc(C(=O)NC[C@]2(CBr)CCCOC2)cc1I 2232832893 IEHOCQQJPNOZAT-OAHLLOKOSA-N 452.130 3.521 50 10 JHGE ClCCc1nc2cncnc2n1-c1ccc(I)cc1Br 2235287443 LVUWDGAIDVEBHZ-UHFFFAOYSA-N 463.504 3.964 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@H](Br)CC12CCCC2 2241025868 GBNQOQHPYZASGK-SNVBAGLBSA-N 450.114 3.919 50 10 JHGE O=C(N[C@H]1C[C@H](Br)C1)c1ccc(Br)cc1I 2245954077 JOLINPYXXQGMOE-ZKCHVHJHSA-N 458.919 3.709 50 10 JHGE COC[C@@]1(CBr)C=CCN1c1ncc(I)cc1Br 2326786165 VMMMZYBPRUETIJ-LBPRGKRZSA-N 487.961 3.605 50 10 JHGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C(=O)OCCOC)c1C 2329622316 LXDCWHQDGGTIJN-UHFFFAOYSA-N 472.519 3.591 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H]2[C@H]1CBr 2332564556 RAFUVYLHPIHCBE-BCMRRPTOSA-N 474.012 3.616 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@H](CCBr)O1 2365593687 VUKXHHRZDQJKAD-MWLCHTKSSA-N 472.548 3.959 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 12500711 SGZJHGLMWMIXBJ-UHFFFAOYSA-N 490.585 3.807 50 10 JHGE N#C/C(=C/NC[C@H]1COc2ccccc2O1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216506929 VQNPIEJSPFCNRW-PGLPJHNESA-N 494.595 3.757 50 10 JHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(OC)c3)cc2)cc1 254381210 GUGKPRMURIUPSD-UHFFFAOYSA-N 475.501 3.792 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2cc(OC)ccc2OC)cc1)S(=O)(=O)c1ccccc1 725438449 BQOLDDQGGKEAFT-UHFFFAOYSA-N 479.558 3.849 50 10 JHGE NC(=O)[C@H](NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(Br)cc1 729676180 FSJLGTDQTVCBRU-HXUWFJFHSA-N 472.314 3.628 50 10 JHGE CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNc2ccccc2I)cc1 1471615422 IJVXBFRQKHTJIN-AWEZNQCLSA-N 452.292 3.723 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 1866606052 GPVNKXHUIBKDQQ-JOCHJYFZSA-N 489.553 3.645 50 10 JHGE Cn1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)C(C)(C)CBr)n1 1984104838 JSYRRSOHAZSSQM-UHFFFAOYSA-N 465.211 3.547 50 10 JHGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@H]1C[C@H]1Cl 1991444475 ZRJLSLCFVFCISJ-XMDBHEJHSA-N 491.993 3.799 50 10 JHGE CCN(C[C@](C)(CI)OC[C@H]1C[C@]12CCOC2)C(=O)OC(C)(C)C 2021276907 NNMKZZSKEBFJOO-JLSDUUJJSA-N 453.361 3.880 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1ccc(Br)cc1I 2026220926 IHTUPJOOKUDJLB-XCBNKYQSSA-N 472.946 3.909 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccc(CCBr)cc1 2089708183 WQQISOMEZJJIHB-UHFFFAOYSA-N 479.396 3.832 50 10 JHGE CC1(C)CO[C@@H](CBr)CN1C(=O)c1cc(Cl)ccc1I 2167531280 GXXXSTNOMLUKBT-JTQLQIEISA-N 472.548 3.959 50 10 JHGE CC(C)(C)OC(=O)N1CCOC2(CCN(CCCCCI)CC2)C1 2214695078 DAMRJGZRXBZFSV-UHFFFAOYSA-N 452.377 3.694 50 10 JHGE C[C@H](Br)COCc1cn(-c2cc(I)ccc2Cl)nn1 2278380458 MQDIEARRTLYSCF-QMMMGPOBSA-N 456.509 3.825 50 10 JHGE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1ccc(C(=O)NN)cc1Br 2288742793 YVVUATAKGJNWBM-WBMJQRKESA-N 458.422 3.931 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)C(C)(C)C 2325063635 KMCRVJUVJRWVMC-NRFANRHFSA-N 495.708 3.876 50 10 JHGE CCOc1cc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OC 2325903319 YLLHQJWDVFLSHZ-CABCVRRESA-N 468.579 3.701 50 10 JHGE CN(CC[C@H](Cl)c1cccs1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2340668879 DNYVTBYYBHVAPJ-KRWDZBQOSA-N 455.001 3.756 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2364011496 AJPMLNOUQTZFQB-JBDRJPRFSA-N 470.003 3.627 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@]2(CCC[C@H]2Cl)C1 2364216496 OMZWFINVKXOPOU-KNQAVFIVSA-N 453.004 3.656 50 10 JHGE COc1ccc(C(=O)N2CCC[C@H](C(=O)NNC(=O)c3cn(C)c4ccccc34)C2)c2ccccc12 10736936 PTZLTDQWIMNXFT-SFHVURJKSA-N 484.556 3.654 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1I 12494029 CDCOLBMRIRGQHQ-UHFFFAOYSA-N 479.318 3.659 50 10 JHGE COc1cc(-c2cc(CN(C[C@@H]3CCCO3)C(=O)CCCCl)no2)cc(OC)c1OC 34922298 DXZHTBFESGVHDC-KRWDZBQOSA-N 452.935 3.894 50 10 JHGE CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2 39918989 LNRVMNXBQSOLEE-SANMLTNESA-N 472.932 3.749 50 10 JHGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4cccc([N+](=O)[O-])c4)c3[N+](=O)[O-])c2n1 40626775 SQVONTWOZXCMNG-UHFFFAOYSA-N 460.410 3.650 50 10 JHGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41012627 XTEZEGXUCXSJAY-HFSWGQLBSA-N 476.529 3.869 50 10 JHGE CC(=O)NNC(=O)[C@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1 59844850 ZUEFKUAWGJDERD-INIZCTEOSA-N 460.563 3.681 50 10 JHGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 254613091 SRQWCVBQYYCROR-UHFFFAOYSA-N 474.542 3.645 50 10 JHGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1O 686180609 VCXCEHRPDBBTEJ-HMHPOGMRSA-N 450.114 3.773 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c(C)n1C1CCCCC1 725906852 GZIXAZQLDIMBMZ-JFARUEAUSA-N 453.631 3.576 50 10 JHGE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCSSCC1 757436799 JSIQWFOAEKLDQZ-NRFANRHFSA-N 486.615 3.982 50 10 JHGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1O 1084574408 ODJCJKJSPWMRAT-UHFFFAOYSA-N 450.232 3.906 50 10 JHGE CC(C)CSc1ccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1 1865758389 XULYDMIEBDOOGT-UHFFFAOYSA-N 453.564 3.762 50 10 JHGE CCCOc1ccc([C@H](CC(=O)O)NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1OC 1866131704 JXJVYYHHDXWLDQ-MVDPLZLPSA-N 468.506 3.740 50 10 JHGE CC(C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866604152 QGGPDMMPJYYUTF-UHFFFAOYSA-N 488.525 3.796 50 10 JHGE Cc1cc(CCl)cnc1-n1c(C)nc(I)c1I 1941550028 BQSABDJLCATUSI-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE N#CC(C(=O)CN1C(=O)c2ccccc2[C@H]1O)=C1NC(c2ccc(Br)cc2)=CS1 2040465770 IGVXKXJBIYECFX-HXUWFJFHSA-N 468.332 3.535 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC([C@@H](F)CBr)C1 2048038018 DGEIFIKQAZUDHS-JTQLQIEISA-N 490.936 3.859 50 10 JHGE O=S(=O)(C[C@@H](Cl)c1ccc(I)c(Br)c1)N1CCCC1 2089397950 LWAQCPVIVWNDFV-LLVKDONJSA-N 478.577 3.759 50 10 JHGE C[P@@]1(=O)C[C@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H](Br)C1 2121383906 IMBCXWRBJAVVPP-WKPXFBNNSA-N 471.560 3.581 50 10 JHGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)C1COC1 2123245380 HNSWFSJXJZECEJ-UHFFFAOYSA-N 460.777 3.833 50 10 JHGE C[C@H]1[C@@H](C)N(S(=O)(=O)CCC(F)(F)CBr)C[C@@H](C)N1Cc1ccccc1 2123365102 FGXXCEFRLFNTEC-OWCLPIDISA-N 453.393 3.720 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@]2(NS(=O)(=O)c3ccc(CBr)cc3)C[C@H]2C1 2162590059 XISWFUWEGBUWNI-KXBFYZLASA-N 459.406 3.649 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162595666 YOIPQIYSAUANKT-DOTOQJQBSA-N 461.422 3.943 50 10 JHGE O=S(=O)(N[C@@H]1CN(Cc2ccccc2)CC(F)(F)C1)c1ccc(CBr)cc1 2184260236 ISLOJVIKHDKQTD-KRWDZBQOSA-N 459.356 3.770 50 10 JHGE COc1cc2[nH]c(C(=O)O)c(C=NNC(=O)CSc3nc4ccccc4s3)c2cc1OC 2321684692 MSBAQUCFUXDESK-UHFFFAOYSA-N 470.532 3.735 50 10 JHGE C[C@H](NC(=O)c1c(Br)c(Br)nn1C)[C@@H]1CCC[C@H]1Br 2338863572 LSNUQKJANMFWBL-BIIVOSGPSA-N 457.992 3.627 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCC[C@H](CBr)C1 2364196130 XAVXHRPXYGVIJS-ROUUACIJSA-N 499.471 3.964 50 10 JHGE Cn1ncc(I)c1-n1c(CCCl)nc2cccc(Br)c21 2381857214 MTIKKZNZOJTUPU-UHFFFAOYSA-N 465.520 3.907 50 10 JHGE COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)c(Br)c(Br)c1O 1203034 ISRLDJJLVNBOMR-ODCIPOBUSA-N 471.149 3.796 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334156 NFSMOEGEHWWRHN-UHFFFAOYSA-N 498.004 3.984 50 10 JHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 14032392 UNPILMJBWWPGNC-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE COc1ccc(/C=C\C(=O)N/C(S)=N\NC(=O)COc2cc(C)ccc2C(C)C)cc1OC 33632463 YJHKHTYIEDQVSP-FLIBITNWSA-N 471.579 3.661 50 10 JHGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCN(Cc2ccccc2)CC1 40728874 PPQXLDGFJUDPLU-UHFFFAOYSA-N 493.615 3.656 50 10 JHGE CC(=O)Nc1ccc(C(C)=NNC(=O)c2ccc(Cn3nc([N+](=O)[O-])c(Cl)c3C)o2)cc1 252633977 WIZOTEKQKNDOSE-UHFFFAOYSA-N 458.862 3.507 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cc(CCl)oc1Br)C2 702080272 GLFFGJISSPXYNC-DNVCBOLYSA-N 473.820 3.924 50 10 JHGE C[C@@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc2C1 914507426 GYUBNZVPSWQTED-HUXSYLCKSA-N 464.573 3.934 50 10 JHGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)O 1084201051 DCKATXFQVQRHOA-UHFFFAOYSA-N 461.268 3.821 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)OC)c(OCC)c2)cc1 1084308518 BNCPTESVXOUEAG-FQEVSTJZSA-N 492.956 3.653 50 10 JHGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1cc(Br)c[nH]1 1662573661 LVCURRWRKRMHCN-UHFFFAOYSA-N 458.110 3.571 50 10 JHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)CC1 1772743818 JHDRNUBABAIKMF-UHFFFAOYSA-N 471.941 3.737 50 10 JHGE N#CSc1ccc(NC(=O)c2ccnc(NC(=O)CCN3C(=O)c4ccccc4C3=O)c2)cc1 1860513051 DQCWKPIOHZNVSS-UHFFFAOYSA-N 471.498 3.532 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(S(=O)(=O)CI)CCC2 1983330181 OVCYYPUVMDMARC-UHFFFAOYSA-N 452.314 3.509 50 10 JHGE CCN(C[C@](C)(CI)OC1C[C@@H](OC)[C@H](OC)C1)C(=O)OC(C)(C)C 2047614373 XOGRTDRZDJVPMO-RKVPGOIHSA-N 471.376 3.646 50 10 JHGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1cc(Br)sc1Br 2072947763 UHXGQXCQVLIELX-HTRCEHHLSA-N 462.001 3.803 50 10 JHGE CCCCCC[C@@H]1[C@H](CC[C@@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080455664 LUABMRXJCSRHDW-YPMMUWAHSA-N 460.567 3.722 50 10 JHGE O=C(NCC12CC(CBr)(CO1)C2)c1cc(Br)c(Br)s1 2103332565 GLWPJIVXHNGDEE-UHFFFAOYSA-N 474.012 3.947 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 2130820416 GIUUMJYTYQETAC-KPXOXKRLSA-N 455.972 3.882 50 10 JHGE Cn1nnc(Br)c1CC(CBr)(CBr)c1ccccc1F 2145945879 BJPGPBUWZIHUDG-UHFFFAOYSA-N 469.978 3.987 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NS(=O)(=O)c3ccc(CBr)cc3)[C@H]2C1 2162588151 BVGBXYFYTKYTLX-BHYGNILZSA-N 459.406 3.505 50 10 JHGE CC1(C)C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)N(C(=O)OC(C)(C)C)C1 2162588302 DKCMNXOZXNFTDV-HNNXBMFYSA-N 461.422 3.895 50 10 JHGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CCC[C@@]2(CBr)CCCC[C@@H]12 2165244763 SZACYUROBSFYFU-WOJBJXKFSA-N 457.434 3.552 50 10 JHGE O=S(=O)(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12)c1cc(Br)ccc1Br 2166864982 LMZRLERPDFODPB-DLYFRVTGSA-N 488.039 3.909 50 10 JHGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)N1CCC(CBr)CC1 2179823242 HHRAVJXWOHFJFP-OALUTQOASA-N 459.450 3.654 50 10 JHGE O=S(=O)(c1occc1CBr)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2179830471 LQZWGZICBAKOKA-RTBURBONSA-N 453.402 3.850 50 10 JHGE CC(C)[C@H]1[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2182715432 LOSDSHGGNIUBJU-SJORKVTESA-N 461.422 3.894 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@H]2OCC[C@]2(CBr)C1 2296378094 OGYHMEQHTZZOBE-OCCSQVGLSA-N 470.532 3.571 50 10 JHGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@@H]2CCCO2)ccc1Cl 2296720243 DMZXTTWAPAHZOB-IBGZPJMESA-N 478.936 3.959 50 10 JHGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3ccccc3Cl)C2=O)cc1 2296796714 GAJTYIRDUZCDDU-UHFFFAOYSA-N 459.980 3.701 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)cc1OC 2321070509 STGDINKJXKEXOL-UHFFFAOYSA-N 453.445 3.827 50 10 JHGE COc1ccc(OC)c(C=CC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)c1 2321153295 FWEHRHGZBBMREL-UHFFFAOYSA-N 453.445 3.827 50 10 JHGE CCN(CC)CCCNC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324606064 RWPGUVNOZQHFGT-UHFFFAOYSA-N 459.638 3.649 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCC[C@@H]1NC(=O)OC(C)(C)C 2325591080 KHYNHHAYCCQUDF-BTYIYWSLSA-N 493.692 3.773 50 10 JHGE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3sc(C(C)=CC#N)c(C)c3C(=O)OC)CC2=O)cc1 2331560225 IKLBNKIRFRVQOR-KRWDZBQOSA-N 495.557 3.938 50 10 JHGE C[C@@H](Br)C[C@H]1CCCN1C(=O)c1c(Br)c(Br)nn1C 2338675002 TXQKASYPQGMLAS-HTQZYQBOSA-N 457.992 3.723 50 10 JHGE C[C@]1(NC(=O)c2cc(I)sn2)C[C@H]2CC[C@H]1C[C@H]2Br 2352769189 UMLQUWSWJXETLM-VXFNFUGZSA-N 455.159 3.820 50 10 JHGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1c(Br)c(Br)nn1C 2364023520 BVYHVFAWQGTXBB-SECBINFHSA-N 472.019 3.971 50 10 JHGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 12502463 VLGMKQYUAPDCIA-UHFFFAOYSA-N 462.358 3.790 50 10 JHGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 13999236 QNOHJUGEDBVJIT-UHFFFAOYSA-N 482.389 3.585 50 10 JHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 14002223 KSSBAYDPXWVDOG-UHFFFAOYSA-N 487.796 3.630 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 14021898 UEYWPKOGEPLNJF-UHFFFAOYSA-N 491.569 3.635 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCC)c2)cc1 14641642 BAHZAOLRSFFQAH-UHFFFAOYSA-N 456.568 3.553 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(F)cc1 38652538 VOCKHGUKQOWOHR-QHCPKHFHSA-N 461.405 3.936 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2C(C)(C)C)c(OC)c1 40878732 WWNAOPKHZFMYSM-XMHGGMMESA-N 466.534 3.647 50 10 JHGE COc1ccc(Br)c(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c1 48573155 YUIMOLOWDAKAPF-GZIVZEMBSA-N 459.127 3.645 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC(OCCBr)CC1 129784523 VVTQZIFLKSMLFJ-UHFFFAOYSA-N 467.632 3.729 50 10 JHGE O=C(NC1(CBr)CCOCC1)c1scc(Br)c1Br 705408442 HKHWTEFSLZLGGW-UHFFFAOYSA-N 462.001 3.947 50 10 JHGE Cc1ccsc1CNC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 918803961 DTRRHXUNCWIPOY-XDHOZWIPSA-N 459.531 3.600 50 10 JHGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1083922706 ROPUBPNTXKYJNO-UHFFFAOYSA-N 456.546 3.815 50 10 JHGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2ccc(-c3cccc(Cl)c3)o2)cc1OC 1083960148 GGUKYGBAIFGGIZ-UHFFFAOYSA-N 469.925 3.816 50 10 JHGE O=C(Nc1ccccc1C(=O)NN=Cc1cc2c(cc1Br)OCO2)c1ccco1 1084230562 FPNRUYHSRZWJDU-UHFFFAOYSA-N 456.252 3.787 50 10 JHGE C=CC[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)OCC 1138146043 FGYQHDNFMJPJLL-QUHSPFQSSA-N 451.914 3.648 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Br)c(Cl)c2)cc1 1675595727 AORAFHPNFPCHFI-LLVKDONJSA-N 454.708 3.925 50 10 JHGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(OC)cc4)nc3C)cc2C1=O 1865757070 LQOOGMBIJHRENN-OAHLLOKOSA-N 486.528 3.535 50 10 JHGE Cc1c(-n2cnc(I)c2I)ccnc1CCl 1994766727 OQTJEBMJTDWVGJ-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)C1)c1ccc(Br)cc1I 2026221949 RPGZAHQFHUTPNU-OTSSQURYSA-N 472.946 3.957 50 10 JHGE O=C(c1cc(I)sn1)N(CCBr)Cc1ccsc1 2056501124 PAOJKHCVDUXGLB-UHFFFAOYSA-N 457.156 3.847 50 10 JHGE CN(C[C@H](Br)C1CCCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2111351377 PLIPNAFOKVXLIL-IBGZPJMESA-N 485.444 3.668 50 10 JHGE C[C@]1(C2CC2)CN(S(=O)(=O)[C@H]2CC[C@@H](CBr)C2)CCN1Cc1ccccc1 2179827065 AFXXVRDWOFAKLH-HLAWJBBLSA-N 455.462 3.866 50 10 JHGE O=C(c1ccc(Br)cc1I)N1[C@H](CCl)C[C@@H]2OCC[C@@H]21 2207260291 FVPQKDKTSAWOTM-XDTLVQLUSA-N 470.532 3.665 50 10 JHGE CS(=O)(=O)C[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2250745702 PESNMOSKTPNJGD-RXMQYKEDSA-N 456.928 3.970 50 10 JHGE C[C@@H](Br)C[C@@H]1CCCN1C(=O)c1c(Br)c(Br)nn1C 2338675004 TXQKASYPQGMLAS-SFYZADRCSA-N 457.992 3.723 50 10 JHGE C[C@@]12CC[C@@](CCl)(C1)N(S(=O)(=O)CCCCCCN1C(=O)c3ccccc3C1=O)C2 2364214655 ORFPDPYWQPTELB-YADHBBJMSA-N 453.004 3.656 50 10 JHGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)c1 10671835 VZRAFJLUOHUYOM-INIZCTEOSA-N 451.548 3.732 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 13986734 XKQUNNVWCICKNF-UHFFFAOYSA-N 495.317 3.503 50 10 JHGE COc1ccc(C(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc1Br 14016873 LFHSRTBMSCXXSZ-UHFFFAOYSA-N 477.355 3.565 50 10 JHGE C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14026872 SPZDKNGKFMOEDD-NSHDSACASA-N 458.729 3.980 50 10 JHGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OC)c1 40967686 SSBJOJGBUQLVKY-LZYBPNLTSA-N 468.422 3.554 50 10 JHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NC[C@@H]1CCCO1)[C@@H]2Br 100921724 VTNCBLXOCIJVGT-OWLDWWDNSA-N 488.058 3.967 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)cc1 101601551 SWYPOEQQLMTJHI-ZXVVBBHZSA-N 494.935 3.795 50 10 JHGE CCOc1ccc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 254343562 QNTWFZVNAYTDHQ-UHFFFAOYSA-N 467.547 3.794 50 10 JHGE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 254350056 IMORHWXIHXYSCW-CKRUQCMDSA-N 475.457 3.751 50 10 JHGE Cc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 254740131 KSJVNSQDZXTZBJ-UHFFFAOYSA-N 464.909 3.755 50 10 JHGE Nc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(O)c1 382681715 AWORUDHOHFLVQX-RHSMWYFYSA-N 452.292 3.762 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)[C@H](C)Br)cc1Br 387001873 MECCKILXGBWFJU-JGVFFNPUSA-N 464.017 3.970 50 10 JHGE CCN(CCBr)C(=O)c1ccc(I)c(Br)c1 721580784 VNYXXRFTBCAJFK-UHFFFAOYSA-N 460.935 3.911 50 10 JHGE COc1cc(C=NNC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc(OC)c1OC 1084462720 JMFRNZAUAKVTGX-UHFFFAOYSA-N 478.343 3.734 50 10 JHGE COc1ccc2c(c1)C(=NNC(=O)COc1ccccc1Br)C(=O)N2CCC(C)C 1772719844 DHQPVALLERFKAN-UHFFFAOYSA-N 474.355 3.750 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745802 HUJSHKJXRNRFOZ-UHFFFAOYSA-N 464.909 3.787 50 10 JHGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709387 AYJZLKQTLYFKMS-HXUWFJFHSA-N 479.880 3.986 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715182 YSBSSKCXVVSGDT-INIZCTEOSA-N 475.358 3.921 50 10 JHGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872746247 ZIKLUIZVINAWMQ-ZPHPHTNESA-N 462.443 3.816 50 10 JHGE CCOc1cc(C(=O)CBr)cc(I)c1I 2060133892 MLDQWYGSSOHBLK-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](OCCBr)C1 2109128051 LZERWORQECDVRZ-SNVBAGLBSA-N 455.972 3.838 50 10 JHGE O=C(NCC[C@H]1COC[C@@H]1Br)c1cccc(Br)c1Br 2111327691 HQVYSSHXKMWTLD-KWQFWETISA-N 455.972 3.741 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCO[C@@H](CCBr)C1 2116235628 DUVGYKFTVQTIRY-VIFPVBQESA-N 455.972 3.838 50 10 JHGE CCn1cc(S(=O)(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)cc1CBr 2179774536 GDUZWHZQBWEOTN-GOSISDBHSA-N 454.434 3.688 50 10 JHGE CCCN1CC[C@@H]([C@H](Br)c2cc(C)ccc2I)S1(=O)=O 2240992237 VXYWRABQXPTKMA-UONOGXRCSA-N 472.186 3.850 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H]2OCC[C@@]2(CBr)C1 2296359189 DMCKQWAVMJBRQK-TZMCWYRMSA-N 470.532 3.571 50 10 JHGE CCN(CCOCCI)[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2306802892 SWFGJPBRBZTFAX-CVEARBPZSA-N 454.393 3.843 50 10 JHGE Clc1ccc(CN2C[C@@H]3OC[C@H](CBr)[C@@H]3C2)cc1I 2337218159 FTCIWKKJVYGXIO-MJVIPROJSA-N 456.549 3.786 50 10 JHGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2338852319 NBKCHAQRMZCNIT-MRXNPFEDSA-N 485.444 3.526 50 10 JHGE Cc1ncnc(N2CC[C@H](Br)C[C@@H]2C(F)(F)F)c1I 2339897713 HVPVKSIZMDKIHX-JGVFFNPUSA-N 450.040 3.684 50 10 JHGE CC[C@H](C)[C@@H](CI)NC(=O)Cc1ccc(OC)cc1Br 2364184739 QPTZVSBDVFZEEB-IINYFYTJSA-N 454.146 3.966 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCCOC(C)C)c(Oc3ccccc3F)nc12 3644272 LJIAGJBEMVGFMA-JXAWBTAJSA-N 464.497 3.773 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)c(Br)c1 13977734 BIMIKLWDQJAVJB-UHFFFAOYSA-N 476.371 3.573 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 14012302 BGAAAEHIBZGAOW-UHFFFAOYSA-N 486.160 3.759 50 10 JHGE CCOc1cc(/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214425286 WIBMUMUJPSMYPG-BKUYFWCQSA-N 492.503 3.959 50 10 JHGE CC(/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1ccc(O)c(O)c1O)=C\c1ccccc1 254354011 ZYUQZWGXYUGUHJ-HFJHUGQWSA-N 457.486 3.671 50 10 JHGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 254658328 NNTRDWYRQPWPIF-KLZGFALBSA-N 457.490 3.582 50 10 JHGE ClCc1cc(Cl)cnc1-n1cnc(I)c1I 711759197 UBSJXSFAACUHHH-UHFFFAOYSA-N 479.874 3.869 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC[C@H](CCC(N)=O)C2)c(-c2ccc(Cl)cc2)n1 727107948 IAJQJYPQQHNVGH-MCRQTXEHSA-N 464.957 3.528 50 10 JHGE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Br)cc1Cl 728870597 RZFOJRCMIRIEQH-KRWDZBQOSA-N 499.768 3.527 50 10 JHGE COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NNC(=O)c2ccc(Br)cc2)cc1 1325641708 RUJAYKZHNNDSCS-UHFFFAOYSA-N 486.297 3.924 50 10 JHGE O=C(NC[C@]1(CCl)CCCO1)c1cc(I)ccc1Br 1879607216 CSAWCYFIFYWDFF-CYBMUJFWSA-N 458.521 3.572 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](Br)CF)cc1Br 2032862934 YUNKAOTVKSWLOR-ZETCQYMHSA-N 467.980 3.531 50 10 JHGE O=C(CCl)c1c(I)ccc(OC(F)F)c1I 2060187360 JWJDSAMAWJQGAU-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC([C@@H](F)CBr)C1 2086150029 VYTANEOMPGSJSK-JTQLQIEISA-N 490.936 3.859 50 10 JHGE CN(C[C@H](Br)C1CCCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2111350639 HXWMOWPPEMZDEJ-SFHVURJKSA-N 485.444 3.524 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2174306054 LZFAAXBQFHUVPG-ATZCPNFKSA-N 488.039 3.863 50 10 JHGE O=C(O)CSc1nc2cc(I)ccc2n1C[C@H]1C[C@@H]1Br 2196886511 SDARPXZHOWJADE-APPZFPTMSA-N 467.126 3.601 50 10 JHGE C[C@]1(F)CN(S(=O)(=O)c2cc(CBr)oc2Br)C[C@]1(C)Br 2205657070 XSGUBWRMQUAAIW-QWRGUYRKSA-N 498.006 3.823 50 10 JHGE CCC(CBr)(CBr)NC(=O)c1cc(Br)c(O)cc1O 2267806136 SMGJRXPLAHSIRO-UHFFFAOYSA-N 459.960 3.529 50 10 JHGE CN1CCc2nc(NC=C(C#N)C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)sc2C1 2324607117 GHJZZRUINSUCRW-UHFFFAOYSA-N 498.656 3.884 50 10 JHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4ccc(F)c(Br)c4)c(=O)c23)C1 2325904329 UGLNDWUNWQSSQU-LLVKDONJSA-N 477.359 3.635 50 10 JHGE Cc1cc(Br)c(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)c(Br)c1 704652 YLQOEYUUZYLCMB-IFRROFPPSA-N 470.117 3.778 50 10 JHGE O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1ccccc1OC(=O)c1ccco1 3081699 NDPHTJBPXBEPME-SSDVNMTOSA-N 488.250 3.699 50 10 JHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1Br 14771020 RHIMSVVLNWLUQZ-UHFFFAOYSA-N 486.391 3.879 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 14832264 XNSBRQKXGWLWNI-GFCCVEGCSA-N 450.289 3.711 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c(Br)c1 14832321 GPXXWTAPODLOAY-ZDUSSCGKSA-N 465.344 3.820 50 10 JHGE Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1C 33497245 VYZWTYGBCNVQJP-PDGQHHTCSA-N 459.462 3.795 50 10 JHGE C=CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2 39919104 VPJINFLHRNEHAZ-HHHXNRCGSA-N 484.943 3.915 50 10 JHGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccc(I)o1 59506401 FXOHAWQOXPZKJD-OMCISZLKSA-N 488.288 3.645 50 10 JHGE CCOC(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c(C)c21 101618605 RUNZJBIFJLMISU-OEAKJJBVSA-N 467.309 3.756 50 10 JHGE O=C(N/N=c1\c(=O)c2cccc3cccc1c32)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 105500334 ZFQUMLLMSBGSSG-VYIQYICTSA-N 489.940 3.929 50 10 JHGE COc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OC 207162615 DBAFLUSJXDWIKF-UNOMPAQXSA-N 452.507 3.682 50 10 JHGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccc2c(c1)OCO2 216995958 SIHYYGCLCQAUNB-QQTULTPQSA-N 480.568 3.846 50 10 JHGE Cc1cccc(N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1C 252630337 UZPJFQCOSXCWSC-UHFFFAOYSA-N 466.519 3.557 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCS[C@H](CBr)C1 720064273 NHJCDLOFRRKBRY-SECBINFHSA-N 460.562 3.897 50 10 JHGE COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 730872034 BPDCFZPTUYHYHC-RTBURBONSA-N 452.894 3.610 50 10 JHGE CCOc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)ccc1O 1084599390 UHBAASRBOJJQPK-UHFFFAOYSA-N 487.965 3.790 50 10 JHGE C[C@@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084651860 UAFOTSAISTURDT-OAHLLOKOSA-N 461.503 3.538 50 10 JHGE COc1ccc2c(c1)C(=NNC(=O)COc1ccc(Cl)cc1Cl)C(=O)N2CC(C)C 1772720558 PRMLUCNYDXWSBZ-UHFFFAOYSA-N 450.322 3.904 50 10 JHGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851383 AGPBPGGTAFDDLZ-JKSUJKDBSA-N 482.606 3.636 50 10 JHGE Cn1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)n1 2008835635 HWZTUHONVFLKSI-HNNXBMFYSA-N 477.222 3.547 50 10 JHGE CC[C@@H](C)[C@@H](CI)NC(=O)c1ccccc1I 2023036563 AWDUETCXCPSMEE-BXKDBHETSA-N 457.093 3.871 50 10 JHGE O=C(NCC[C@H]1COC[C@@H]1Br)c1csc(Br)c1Br 2048708190 WMXNECOLAFIHSV-XPUUQOCRSA-N 462.001 3.803 50 10 JHGE O=[N+]([O-])c1ncccc1-n1nc(CBr)c(I)c1C(F)(F)F 2078932211 GYXXZFJZPFZNPP-UHFFFAOYSA-N 476.978 3.694 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2cc(Br)ccc2Br)C1 2109026009 YRGGQNSLKXNQTK-UWVGGRQHSA-N 455.972 3.836 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCOC[C@@H]1CCCl 2142287393 CTMQBDQBXLYHGU-JTQLQIEISA-N 458.521 3.524 50 10 JHGE CC(C)(C)OC(=O)Nc1cccc2c1N(S(=O)(=O)N1CCC(Br)CC1)CC2 2163051731 WGWCZCUBGODVJG-UHFFFAOYSA-N 460.394 3.500 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179955096 VKDHDWJVGPGIPE-GOSISDBHSA-N 465.404 3.725 50 10 JHGE O=C(N(CC(F)F)[C@H]1CCCN(CCCCCI)C1)C(F)(F)F 2214704579 GTIPYWALPLXOSL-NSHDSACASA-N 456.237 3.712 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@]2(C[C@@H](Br)CO2)C1 2283651799 MCUSMWJOGCAFHC-YGRLFVJLSA-N 470.532 3.713 50 10 JHGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2293039099 CHTGGYKRDLGUFE-QGZVFWFLSA-N 460.328 3.760 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@H](OCCBr)C1 2295309504 KFCWBCPYOODZDU-ZDUSSCGKSA-N 469.999 3.767 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2369312897 AGEJUUYQFBXYSJ-BCDXTJNWSA-N 497.455 3.526 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(C)C[C@H]2CC[C@H]1C[C@H]2Br 2380913976 FSIIASIKNBEGEI-HIMJEHTPSA-N 497.455 3.570 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1 14030656 DLGPZHQMBVQYPC-UHFFFAOYSA-N 470.595 3.799 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 14661459 VRRNSFJXCSKVAF-UHFFFAOYSA-N 492.153 3.621 50 10 JHGE COc1cccc2c1O[C@@H](C)C(/C=C(\C#N)C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)=C2 33514488 LIMHNVVTUIURPL-TYSUYXETSA-N 456.502 3.746 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 217007111 CUGWIDDFISMRCI-PEZBUJJGSA-N 479.389 3.654 50 10 JHGE CCN(CC)c1c(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)nn1-c1ccccc1 253574570 SUEDNVGNJNCDQK-OEAKJJBVSA-N 465.470 3.607 50 10 JHGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 254626521 LILINXVASATSKD-UHFFFAOYSA-N 489.528 3.583 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)cc1 725879977 UJSMNLLDLGNXCC-JOCHJYFZSA-N 459.546 3.909 50 10 JHGE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccoc2)c1 747184729 RGSGGSHULZKNCV-UHFFFAOYSA-N 493.463 3.755 50 10 JHGE CCCCC(C)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 1084385076 UCOQMODHLYMSGN-UHFFFAOYSA-N 475.611 3.620 50 10 JHGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 1084432768 TXDGLXOGKQZCJK-UHFFFAOYSA-N 476.533 3.565 50 10 JHGE CN(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867277705 AXYCOWNKQHHQFZ-GOTSBHOMSA-N 459.575 3.624 50 10 JHGE COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc(Br)c1O 1873794858 DZWSPSRVMMOHCA-PDERCVKFSA-N 492.370 3.749 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC(CBr)C1 1995285040 GNOCCUIUHHYTNG-UHFFFAOYSA-N 458.919 3.521 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)C1COC1 2009657931 HRWSILWPAMLBGC-UHFFFAOYSA-N 475.202 3.934 50 10 JHGE O=S(=O)(c1ncc(I)cc1Br)[C@H]1CCC[C@@H](Cl)C1 2069534883 AYDIZBYMFKMZOA-APPZFPTMSA-N 464.550 3.772 50 10 JHGE O=S(=O)(c1ncc(I)cc1Br)[C@H]1CCC[C@H](Cl)C1 2069534884 AYDIZBYMFKMZOA-CBAPKCEASA-N 464.550 3.772 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1cccc(Br)c1Br 2178907303 PIUKFUWVZXJRFV-VHSXEESVSA-N 469.015 3.751 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179869400 XLIDELSPEFGNKK-ROUUACIJSA-N 453.402 3.707 50 10 JHGE COc1cc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)cc(OC)c1 2256308886 FPFSCCSOWOZXKX-HOTGVXAUSA-N 463.312 3.643 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@@H]2OCC[C@@]2(CBr)C1 2278858700 GPGNZAKDHZMFFJ-QPUJVOFHSA-N 474.012 3.899 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCC[C@H]1CBr 2338848783 AGRVPEKQFXSWIE-DLBZAZTESA-N 485.444 3.574 50 10 JHGE Clc1ccc(CN2C[C@@H]3[C@H](CBr)CO[C@H]3C2)c(I)c1 2341013145 SIUJICRCDHXUTK-QKCSRTOESA-N 456.549 3.786 50 10 JHGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1cc(F)c(F)cc1F 2343413848 IMWCZXDCZDBYGN-ZDUSSCGKSA-N 452.292 3.753 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1 13979770 XJLCGQRVDCEWCX-UHFFFAOYSA-N 455.736 3.633 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 14031895 MQIPRBLSYBSDQE-INIZCTEOSA-N 451.548 3.732 50 10 JHGE CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)CCl 27315249 BXNJBFCUDNXPPQ-RTWAWAEBSA-N 460.958 3.569 50 10 JHGE COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 59335304 YXDHEWIXOBPFLC-DHDCSXOGSA-N 476.270 3.697 50 10 JHGE O=C(COC(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)NNC(=O)c1ccccc1F 98003486 LWCWQCODPPKTJF-ZHZULCJRSA-N 484.430 3.972 50 10 JHGE CC[C@@H](NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 217193866 DZGKLBCNIYXFLR-DKTMBNMKSA-N 492.645 3.547 50 10 JHGE COc1ccc(OCCN/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1 217254182 MQSHOTGNVWTTOD-SQFISAMPSA-N 477.302 3.623 50 10 JHGE CCN(C[C@](C)(CI)OCCCOCCOC)C(=O)OC(C)(C)C 303853395 ZYXFNPXCPZMSPA-KRWDZBQOSA-N 459.365 3.507 50 10 JHGE Cc1cccc(C(=O)N2CCSC[C@@H]2CCBr)c1I 689278312 LADIWUJVEADHDS-NSHDSACASA-N 454.171 3.942 50 10 JHGE C[C@@H]1CCc2sc(C(=O)NNC(=O)C3CCN(C(=O)N(C)Cc4ccccc4)CC3)cc2C1 727365884 DHDTWYWKBRYNDR-QGZVFWFLSA-N 468.623 3.598 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3c(F)cccc3Cl)c(=O)c2c1-c1ccccc1 1860770207 XYBMEQSOGURJKG-UHFFFAOYSA-N 470.913 3.687 50 10 JHGE F[C@@H]1CN(c2ncc(I)cc2Br)C[C@H]1CBr 1896466218 QAKPNUOUQHJMOL-HZGVNTEJSA-N 463.914 3.618 50 10 JHGE O=S(=O)(CI)N[C@H]1CN(Cc2ccccc2)C2(CCCCCC2)C1 2007719634 UEXHDZFBVHEGGX-QGZVFWFLSA-N 462.397 3.666 50 10 JHGE O=S(=O)(N[C@@H](CBr)C(F)(F)F)c1cc(Br)ccc1Br 2090444143 GSGFHJZKHOURGB-QMMMGPOBSA-N 489.933 3.816 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179826007 NYIHRKUDNQIRGX-HBMCJLEFSA-N 455.462 3.868 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)C1CCC(CBr)CC1)C2 2179831256 VCWNTPXNMUJMOM-YXIVMFJDSA-N 455.462 3.724 50 10 JHGE O=C(N[C@H](CCl)C[C@H]1CCOC1)c1cc(Br)ccc1I 2195509237 ZXOMCBOZENZWFI-KOLCDFICSA-N 472.548 3.818 50 10 JHGE Cc1cc(C(=O)N2CCC[C@H](OCCBr)C2)ccc1I 2207107036 HGKQVQLJIDRCNL-ZDUSSCGKSA-N 452.130 3.616 50 10 JHGE CC1(C)CN(C(=O)c2cc(I)ccc2O)C[C@@H]1CCBr 2238470215 KYNBUJYNGSGGPY-JTQLQIEISA-N 452.130 3.880 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C[C@@H]2CCCC[C@@H]21 2279524641 OOCWTLZVWVACMU-FCEWJHQRSA-N 453.004 3.511 50 10 JHGE C[C@@H]1COCCN1CCO[C@H](CI)c1ccccc1Br 2285515065 DBNXHFCOQVQBIB-IUODEOHRSA-N 454.146 3.663 50 10 JHGE C[C@H]1N(Cc2ccccc2)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2304718102 LAAHKIBQTJXCTI-VGSWGCGISA-N 469.673 3.600 50 10 JHGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)N(C)C)cc1I 2313567488 KBXIQXROQGAYGD-UHFFFAOYSA-N 461.097 3.614 50 10 JHGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2c(c1)OCO2 2313567645 JODCSZOKVASZTI-UHFFFAOYSA-N 459.296 3.761 50 10 JHGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OC)c1 2314776865 SSBJOJGBUQLVKY-UHFFFAOYSA-N 468.422 3.554 50 10 JHGE CCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 2318792713 PJFMPQWIYOXPPM-UHFFFAOYSA-N 488.569 3.693 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCC[C@@H](CCl)C1 2364195904 UXGSMESNSXRMPI-QZTJIDSGSA-N 455.020 3.808 50 10 JHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)c1 10276258 HURMFSPDMIYMFA-UHFFFAOYSA-N 477.995 3.919 50 10 JHGE Cc1ccc(NC(=O)NNC(=O)COc2c(Br)cc(F)cc2Br)cc1 39892039 CYRYCWDVALYGJF-UHFFFAOYSA-N 475.112 3.891 50 10 JHGE CC1(C)C[C@@H](N=C=O)C[C@@](C)(CNC(=O)Nc2[nH]nc3c2CCN(C(=O)OC(C)(C)C)C3)C1 170290068 BTSLPASDXGJNKK-IQMFZBJNSA-N 460.579 3.745 50 10 JHGE CCOC(=O)C1CCN(/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 216488220 FREBCGGZKFKCHG-ROMGYVFFSA-N 486.616 3.603 50 10 JHGE COc1ccc([N+](=O)[O-])cc1C=NNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 252597079 COYCOKSAXUXOPJ-MCKKINNRSA-N 450.476 3.586 50 10 JHGE O=C(NN=C/C=C/c1cccc([N+](=O)[O-])c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254508951 CYNKMMBMMLPNOE-ZCMQHSKHSA-N 484.468 3.910 50 10 JHGE CCOc1ccc(C(=O)NN=Cc2ccc(-c3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)cc1 606347406 GGDYNGQLHSQWEO-UHFFFAOYSA-N 491.529 3.700 50 10 JHGE CO[C@H]1C[C@H](CCl)N(C(=O)c2ccc(I)c(Br)c2)C1 721620331 OPXQUXYOISISKG-ZJUUUORDSA-N 458.521 3.522 50 10 JHGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1084573158 FUHUZCBXEIKAPT-UHFFFAOYSA-N 496.545 3.729 50 10 JHGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)cc1OC 1865709078 NEHUENBHWPUAHO-HSZRJFAPSA-N 481.597 3.720 50 10 JHGE CC(C)CSc1ccccc1C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865845917 ZNJXYBQEFBVPFX-HNNXBMFYSA-N 484.647 3.792 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 1910143002 KTCWXXGJPOAATQ-KKUMJFAQSA-N 451.283 3.866 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N1CC(OCc2ccccc2)C1 1984649052 JPHUBRFOCJEPHB-UHFFFAOYSA-N 465.163 3.527 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Br)cs1 2023039796 UXXGDWGPNGLCIO-IONNQARKSA-N 452.177 3.639 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCC(CCl)CCl)C[C@@H](C)N1C(=O)OCc1ccccc1 2044692259 YPCSZGYBQDXLIH-HZPDHXFCSA-N 451.416 3.532 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H](CCCl)O1 2179373928 IOFUBTFSJJLCAO-KOLCDFICSA-N 472.548 3.912 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1Cl)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179791991 ZORRTHJHOBKXQJ-QZTJIDSGSA-N 469.832 3.987 50 10 JHGE C[C@H](CCCCCI)NS(=O)(=O)Cc1ncsc1Br 2226104879 BQXJBNAJAGXAIB-SECBINFHSA-N 481.219 3.709 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC12CCCCC2 2241025705 DPDKNKLDRUYLKM-INIZCTEOSA-N 497.455 3.811 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H]2COC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2257993955 IWUNFYBUNFFFBY-FZDBZEDMSA-N 491.720 3.800 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)nc12 2296732193 GWHMQEPWECWKOG-UHFFFAOYSA-N 468.966 3.985 50 10 JHGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NNC(=O)c2cccs2)cc1 2313683199 UJFPECSOXLIRPX-UHFFFAOYSA-N 462.531 3.725 50 10 JHGE CCCOc1c(Br)cc(C=NNC(=O)c2sc(=N)[nH]c2CC)cc1OCC 2323177556 IUPHIVLEFOEZLJ-UHFFFAOYSA-N 455.378 3.832 50 10 JHGE CC1(C)C[C@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338842056 FLOBFLMTMJHTCD-MRXNPFEDSA-N 485.444 3.811 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2355845349 MZKWOSHQKTUJPW-CGXNFDGLSA-N 455.462 3.724 50 10 JHGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14030893 MJKXURRCJARWDK-FOCLMDBBSA-N 461.543 3.623 50 10 JHGE O=C(N/N=C/c1cccc(O)c1)C1[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@@H]1c1ccccc1 20073484 ZQIDKFGYKRDRFF-XNJCBJRUSA-N 483.568 3.515 50 10 JHGE CCOc1cc(/C=N/NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 36046979 MFAYWSPNEPIHKC-KXSSBCQASA-N 485.540 3.593 50 10 JHGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc([N+](=O)[O-])cc3C)C2=O)cc1OC 39894097 OKSGTBBSUQZTBI-XSFVSMFZSA-N 476.489 3.668 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@@H](C)Br)cc1Br 158637884 HJAVMPSZNBYOMG-MRVPVSSYSA-N 464.017 3.924 50 10 JHGE O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 206643018 OCHBXYRZXKIDPX-QINSGFPZSA-N 476.514 3.523 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(O)c2O)[C@@H](CI)C1 382727680 RPFNHEOAGTZLDK-HOCLYGCPSA-N 453.276 3.885 50 10 JHGE CC(CBr)(CBr)NC(=O)c1cccc(F)c1I 721757799 HIFGZOJBOQCRFK-UHFFFAOYSA-N 478.925 3.709 50 10 JHGE Nc1nnc(SCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)s1 1084069227 FRLNEBFRAMPPQD-UHFFFAOYSA-N 478.397 3.704 50 10 JHGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1 1608520925 VVVNHFQIXCGYAV-QGZVFWFLSA-N 458.584 3.750 50 10 JHGE Nc1c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cccc1[N+](=O)[O-] 1614633032 OXGMJWMKOHEWMN-GDBMZVCRSA-N 481.290 3.964 50 10 JHGE CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@H]4[C@@]3(F)[C@@H](O)C[C@@]21C 1848440875 ZAXNWSJYMYPNET-HDKRKXFISA-N 470.940 3.661 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852067 OQGAOXYREFRRAX-HZPDHXFCSA-N 482.606 3.640 50 10 JHGE Cn1cnc(CC(CBr)(CBr)c2ccccc2Br)n1 1892604003 DORMFUYOGOWNDZ-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1csc(Br)c1Br 2036684697 ZDZXNOKPZSGJTE-RQJHMYQMSA-N 462.001 3.945 50 10 JHGE O=C(NCCOCCCBr)c1cc(Br)ccc1I 2042195891 QDVWSVYUEQGNPQ-UHFFFAOYSA-N 490.961 3.585 50 10 JHGE O=C(Cl)c1cc(OC(F)F)cc(I)c1I 2060169176 FLHGMVYPKGTDMY-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE Cc1[nH]nc(S(=O)(=O)N(C)[C@@H]2CC(C)(C)[C@H]2OCc2ccccc2)c1CBr 2179808486 IPDPXFAMVKQSQZ-SJORKVTESA-N 456.406 3.617 50 10 JHGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)N1CCC[C@@H](CBr)C1 2179813132 RRTSWBFIRXFXIX-IPMKNSEASA-N 459.450 3.654 50 10 JHGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(C)c1 2179815473 LZMXTFXTVSYLGH-GOSISDBHSA-N 454.434 3.595 50 10 JHGE CS(=O)(=O)CC1CC(O[C@H](CI)c2ccc(Br)cc2)C1 2207479391 ZOAQQMJGYJAZPH-UZANAETPSA-N 473.170 3.765 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[C@@H]1Br 2221685049 ZRZQRMXWZFWDRF-QEJZJMRPSA-N 476.209 3.785 50 10 JHGE ClC[C@@]12CCCO[C@H]1CN(c1ncc(I)cc1Br)C2 2230628423 YCZXCIFGOPNASX-WCQYABFASA-N 457.537 3.673 50 10 JHGE COc1ccc(CCNC(=O)C(C#N)=C2N=C(NC(=O)c3ccc(F)cc3)c3ccccc32)cc1 2296532726 QCNXKSSKHHJVNP-UHFFFAOYSA-N 468.488 3.618 50 10 JHGE BrC[C@H]1COCCN(Cc2ccc(I)c(Br)c2)C1 2325218251 MVAFGQNNKPWUCO-LLVKDONJSA-N 488.989 3.897 50 10 JHGE CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCOCCI)C2)CC1 2326653599 ITEXDOPWZPPCPX-QGZVFWFLSA-N 466.404 3.797 50 10 JHGE Cn1ncc(I)c1-n1c(CCl)nc2cccc(Br)c21 2353551462 FVRDUVTYBUEELF-UHFFFAOYSA-N 451.493 3.865 50 10 JHGE C=C[C@]1(CBr)COCCN1C(=O)c1ccc(Cl)cc1I 2365586403 LUCRNORPBAAURS-AWEZNQCLSA-N 470.532 3.737 50 10 JHGE COc1ccc(OCc2ccc(/C=N/NC(=O)CSc3nc4ccccc4n3C)o2)cc1 9695048 ONOVRUVXJBUJRE-ZMOGYAJESA-N 450.520 3.996 50 10 JHGE Cc1ccc2c(c1Br)C(=NNC(=O)CCC(=O)Nc1ccccc1Cl)C(=O)N2 12580569 UTXVGCPNISDIBH-UHFFFAOYSA-N 463.719 3.602 50 10 JHGE N#C[C@@H](C(=O)N[C@@H](N)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97983086 IWPMAYXJQROQAI-RBBKRZOGSA-O 491.766 3.644 50 10 JHGE COc1ccc(C=NNC(=O)c2nn(C)cc2Br)cc1CN1CCCc2ccccc21 254518917 NAXSDMVLSHNDKL-UHFFFAOYSA-N 482.382 3.908 50 10 JHGE COc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 254617497 UFZGHQASGVTIQN-UHFFFAOYSA-N 467.529 3.736 50 10 JHGE C=CCOc1cccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)c1 254824895 OJKUEENCVLACKV-UHFFFAOYSA-N 456.502 3.901 50 10 JHGE N#CSc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(c4ncccn4)CC3)cc2)cc1 586656928 JLSJVKYKLNGYMI-UHFFFAOYSA-N 459.535 3.656 50 10 JHGE O=C(NC[C@@]1(CCl)CCCOC1)c1cc(I)ccc1Br 700897358 NAVGLOFNFVFRKF-AWEZNQCLSA-N 472.548 3.819 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(c3ccc(F)cc3)CC2)c(-c2ccccc2)n1 914458606 HDKQLTBTOOIIJE-HEHNFIMWSA-N 454.509 3.859 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c(-c2ccccc2)n1 914467775 HTXPXSMQUGNVRD-HMMYKYKNSA-N 450.502 3.902 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)O[C@H](C)c2ccc(F)cc2F)cc1 918948819 CVASXILHTFSVTM-QJISPJEISA-N 480.471 3.924 50 10 JHGE C=CC(=O)N1CCC(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)(c2ccccc2)CC1 1444057817 GOVIRNFZQRTDDI-UHFFFAOYSA-N 451.914 3.580 50 10 JHGE C=CCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1539517812 GLNGBHFIGNJELS-UHFFFAOYSA-N 455.458 3.624 50 10 JHGE Brc1cc(I)cc(OCCI)c1 1888183706 SZLADFKBLFMFHD-UHFFFAOYSA-N 452.855 3.868 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3cc(Br)sc3Br)[C@@H]2C1 2006159095 NTKZAWUHGGCZAH-HSLWUYEYSA-N 465.026 4.000 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(Cc2ccccc2)[C@@]2(CCOC2)C1 2010824878 BMTOIHDZPOPYIW-OFNKIYASSA-N 467.701 3.916 50 10 JHGE Cc1ccc(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1 2125301881 LSUJCUFADCPJTA-UHFFFAOYSA-N 485.491 3.942 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1F)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179793226 QZCPTDAGXPPASJ-ROUUACIJSA-N 453.377 3.616 50 10 JHGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(CBr)cn1 2179814355 BBTYNVXPPOFSPO-ZACQAIPSSA-N 452.418 3.649 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184576016 XOLJOXOYEJSHRJ-YHPBZONMSA-N 450.114 3.775 50 10 JHGE CC1(C)CN(C(=O)c2ccc(I)c(O)c2)C[C@@H]1CCBr 2238471284 XDSMHJMLGIRYLZ-NSHDSACASA-N 452.130 3.880 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCCCI)CCNC(=O)OC(C)(C)C 2241521952 ZGDNCVBJIUZRHE-UHFFFAOYSA-N 485.407 3.553 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCC[C@@H]1CBr 2338848784 AGRVPEKQFXSWIE-IAGOWNOFSA-N 485.444 3.574 50 10 JHGE O=S1(=O)CC[C@H]([C@@H](CBr)Cc2ccc(Cl)cc2I)C1 2341026857 FHLRRCMHGIKOJV-WDEREUQCSA-N 477.589 3.933 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2355687420 DTGQQOQTCKTTAK-RLCGTCKNSA-N 467.983 3.694 50 10 JHGE Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)c1 10736861 FOWMUTZUNTVZCL-UHFFFAOYSA-N 476.558 3.671 50 10 JHGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc(Cl)cc1Cl 14016801 RWYZFJLBIVMXKE-UHFFFAOYSA-N 467.349 3.866 50 10 JHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 14641618 IIWLOWIOENYLMT-UHFFFAOYSA-N 463.559 3.857 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)cc1 21783913 XENABRVCJJVHCG-UHFFFAOYSA-N 476.558 3.620 50 10 JHGE Cn1cc(C(=O)NNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c2ccccc21 24476285 LANJBXPYEDMRCU-UHFFFAOYSA-N 479.890 3.923 50 10 JHGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 33729255 MSBWQPGDXBIXSQ-BWCLHNGZSA-N 489.601 3.613 50 10 JHGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38687304 QUKDBAGSMXCCOK-BJKOFHAPSA-N 456.454 3.659 50 10 JHGE CN(c1ccccc1)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40625513 OMLDJTYIJJLHAG-UHFFFAOYSA-N 463.281 3.982 50 10 JHGE O=C(Cc1ccccc1)NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-] 40659414 RTOWZPMTQSKHRN-UHFFFAOYSA-N 461.251 3.716 50 10 JHGE Cc1c(C(=O)N2CCCCCC2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814588 JTXCZHJESJRMFB-NCELDCMTSA-N 452.511 3.912 50 10 JHGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)c(C)c2)c(OC)c1 40876476 DVUXQUVVANNDAN-OQLLNIDSSA-N 460.280 3.831 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(O)cc2Br)cc1 58894184 ZTBOLWLNTVUABV-SLCIXIPPSA-N 451.317 3.526 50 10 JHGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(I)c1 59334184 XFVNZMORKIKNHR-RQZCQDPDSA-N 457.271 3.737 50 10 JHGE COC(=O)/C(C#N)=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O 97427041 UVDFJZJBBBAVPJ-JWGURIENSA-N 450.498 3.981 50 10 JHGE COc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(C[C@H]2CCCO2)C(=O)CCl)cc1OC 97914813 RNESDWUDBQDINA-WSNCNUTRSA-N 467.006 3.686 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)cc1 101594794 WXVBGQMJOFOSNU-ZXVVBBHZSA-N 494.935 3.795 50 10 JHGE O=S(=O)(N[C@H](CBr)CC(F)F)c1cc(Br)ccc1Br 717747468 AUNGDHYQPDXNLR-ZETCQYMHSA-N 485.970 3.909 50 10 JHGE CN1C(=C(C#N)C(=O)COC(=O)c2cc3c(Br)cccc3[nH]2)N(C)c2ccccc21 726010525 GFZSFSUTXCCLGJ-UHFFFAOYSA-N 465.307 3.978 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 849195942 OPDUJOBUOVNKAG-MRXNPFEDSA-N 450.538 3.700 50 10 JHGE CCc1ccc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(CC)cc3)cc2)cc1 1084400673 XOVOOKDELJNEJI-UHFFFAOYSA-N 486.572 3.870 50 10 JHGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)c1 1084515300 CFIHTSFVEHGIOP-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE C#CC1(O)CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 1585305474 ZCGNIDQWNAKGHO-RGEXLXHISA-N 452.352 3.750 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)cc1 1672602818 LKOVZYUEUYVJTN-KGLIPLIRSA-N 453.417 3.839 50 10 JHGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1865851474 CILRFEHYCCBWQL-KRWDZBQOSA-N 490.585 3.863 50 10 JHGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1ccc(Br)cc1Br 1878684981 UAHAOFXFHKTHDA-UFBFGSQYSA-N 455.972 3.741 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC(SC(F)F)C1 1887038591 NCDGSBURDZTILZ-UHFFFAOYSA-N 457.181 3.734 50 10 JHGE C[C@H]([C@@H](Br)c1cc(Br)sc1Br)S(=O)(=O)N(C)C 1941948600 QGOBWUCUDPAPRQ-SVGQVSJJSA-N 470.046 3.989 50 10 JHGE O=C(NCC[C@H]1COC[C@@H]1Br)c1cc(Br)sc1Br 2048658498 GVOAWLZXXBPUMW-XPUUQOCRSA-N 462.001 3.803 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)c2scc(Br)c2Br)CCO1 2053846879 VVDGWPHKWDORQM-XPUUQOCRSA-N 462.001 3.898 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)oc1Br 2059265648 YRKGULOLBUZPLC-ZDUSSCGKSA-N 492.233 3.832 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(Br)sc2Br)[C@H]1Br 2078736050 CBHFHWSQNXRFRF-HTRCEHHLSA-N 462.001 3.944 50 10 JHGE COCCN(CCBr)C(=O)c1ccc(Br)cc1I 2086147517 OCXKOFZUDXMDNL-UHFFFAOYSA-N 490.961 3.537 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCOC[C@@H]1CCBr 2094095637 OKGZOORJKKDABD-VIFPVBQESA-N 455.972 3.838 50 10 JHGE CCCN1CCC[C@@H]([C@@H](Br)c2ccccc2I)S1(=O)=O 2145778306 PEIBEZPCVDLOOZ-KBPBESRZSA-N 472.186 3.931 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(C(=O)N2CCC(Br)CC2)CC1 2163050377 JIETYJFOOJUJPR-ZDUSSCGKSA-N 458.319 3.839 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(CBr)c2)C1 2179786377 ZTUSHFDRMNJABK-MRXNPFEDSA-N 455.393 3.863 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1(CCl)CC2(CCC2)C1 2182741138 SPULGRJTQAJLSR-UHFFFAOYSA-N 453.004 3.562 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@@]2(CBr)C1 2277928050 NSOVYTFDCWCMBA-IINYFYTJSA-N 451.984 3.998 50 10 JHGE COc1cc(OC)c([C@H](Br)c2nn(C)nc2Br)cc1Br 2295421739 RDLIUCWEMSMLLV-JTQLQIEISA-N 469.959 3.842 50 10 JHGE COc1ncc(Cl)cc1CO[C@](C)(CI)CNC(=O)OC(C)(C)C 2301822869 MNEXUFWFSWSAEV-MRXNPFEDSA-N 470.735 3.979 50 10 JHGE N#CC(=Cc1cc(Br)c(N2CCCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 2313564839 AZHZCENFVFIOHR-FXAWDEMLSA-N 451.328 3.850 50 10 JHGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NNC(=O)c2ccccc2)cc1 2313683283 WNGDSOQWQVCDNU-UHFFFAOYSA-N 471.473 3.563 50 10 JHGE C=CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=NNC(=O)c1ccccc1O 2314397352 DNWYGBKTODNCTN-UHFFFAOYSA-N 458.337 3.958 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@]2(CCC[C@H]2Br)C1 2364230655 OZDKEVVTFRRBPC-AMIZOPFISA-N 470.003 3.725 50 10 JHGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1ccc(Cl)cc1I 2365593339 TZLLWQHZVPPGJC-MWLCHTKSSA-N 472.548 3.865 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)c2cc3ccccc3cc2O)cc1 13976372 HGLXABUPOHTRNY-UHFFFAOYSA-N 451.548 3.557 50 10 JHGE Cc1cc(I)ccc1N[C@H](C)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 20352596 HIBBGMJABNFNBG-UWOUAGFBSA-N 458.281 3.520 50 10 JHGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 40882870 KMKGCYFIUPIKPL-VIZOYTHASA-N 455.379 3.509 50 10 JHGE COc1ccc(CN2C(=O)O[C@@H]3[C@H]2[C@@H](I)[C@@H]2OC4(CCCCC4)O[C@H]32)cc1 65743199 ROIALEPFWLNUHX-SFFUCWETSA-N 485.318 3.646 50 10 JHGE in-vitro Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598864 VFUPNXWPTXMPFM-NLRVBDNBSA-N 464.909 3.787 50 10 JHGE O=C(C[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 163334026 HJTHSJRWEXIILP-JOCHJYFZSA-N 478.457 3.929 50 10 JHGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1nc2c(s1)CN(C)CC2 217254151 OFNVWOXMWMRNQH-XFXZXTDPSA-N 479.347 3.502 50 10 JHGE Cc1cccc(C(=O)N2CCSC[C@H]2CCBr)c1I 689278307 LADIWUJVEADHDS-LLVKDONJSA-N 454.171 3.942 50 10 JHGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cccc2c1OCCO2)S(=O)(=O)c1ccccc1 725388047 GZHQYBUMBWLUQQ-UHFFFAOYSA-N 499.976 3.765 50 10 JHGE CC1(C)CN([C@@H](CNC(=O)NNC(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCO1 729054927 QKUGNGMQPPERPB-IBGZPJMESA-N 465.381 3.790 50 10 JHGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 1084583776 FHHHMEUFCBBYCG-JOCHJYFZSA-N 462.502 3.936 50 10 JHGE Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NNC(=O)c3ccc(Br)cc3)CCCC2)c1 1248480391 IJCCDDJANLNRLM-UHFFFAOYSA-N 479.396 3.614 50 10 JHGE C/C(=C/c1ccc(Br)o1)C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 1566603624 WREOUOFBWKLHMC-HJWRWDBZSA-N 453.236 3.882 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1ccc(CBr)cc1Br 1887893492 QTTYFSOCURLNFI-ZJUUUORDSA-N 476.028 3.748 50 10 JHGE C[C@H](Br)[C@H]1C[C@@H]1NC(=O)c1cc(Br)ccc1I 2011205842 XZLUPKIEYFJDNE-QXHCQDJKSA-N 472.946 3.955 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1cscc1Br 2023039240 IXPYXLFSGOARCE-APPZFPTMSA-N 452.177 3.639 50 10 JHGE COC(=O)Cc1c(I)ccc(CBr)c1I 2055323394 OUVBHIBVCIHYIJ-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE CC(C)C1=CC(=O)[C@](C)(Br)[C@@H](Br)C1=NS(=O)(=O)c1ccccc1 2059867840 DVKJIDDNNDDYAO-HOTGVXAUSA-N 463.191 3.899 50 10 JHGE O=C(c1cc(I)sn1)N1CCC2(CCC(Br)CC2)C1 2120025136 HHHJZTIJGMXLCW-UHFFFAOYSA-N 455.159 3.918 50 10 JHGE COC(=O)[C@@H](Br)CNc1ccc(C(F)(F)F)cc1I 2139276480 NJACDJMAFUGTCP-ZETCQYMHSA-N 452.008 3.658 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC2(C1)OCCC[C@H]2Br 2159663767 WLOULGIBWPSTJG-GFCCVEGCSA-N 470.532 3.713 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)Cc2ccc(CBr)cc2)C1 2179787592 QZVUVBUFJOQJFT-GOSISDBHSA-N 451.430 3.865 50 10 JHGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(CBr)c1F 2179860370 QPTCYCVHJPZLEF-OAHLLOKOSA-N 459.356 3.755 50 10 JHGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1ccc(I)c(Cl)c1 2195488969 GBSWSGLZUNUPTC-ONGXEEELSA-N 472.548 3.865 50 10 JHGE O=C(NC/C=C/CBr)c1cc(Br)ccc1I 2244759587 DDEVGWDDUUTTML-OWOJBTEDSA-N 458.919 3.735 50 10 JHGE C=CC[C@]1(CBr)CCCN1C(=O)c1ccc(I)c(O)c1 2287752978 HHUIEKZMGLRWAG-OAHLLOKOSA-N 450.114 3.943 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1OC 2321169213 SSKMWRZUUHEHHX-UHFFFAOYSA-N 477.517 3.566 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(c2ccccc2F)CC1 2325311236 IFHYOTCSKBJCFQ-UHFFFAOYSA-N 450.514 3.951 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(C)(C)C)CN(CCOCCI)C1 2326643942 XSTBPPMUSXRONW-HZPDHXFCSA-N 468.420 3.947 50 10 JHGE C[C@H]1C[C@H](Br)[C@H](C)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338846219 BKEVNVCJFYFKDP-GJYPPUQNSA-N 485.444 3.667 50 10 JHGE COCCN1C[C@@H](Br)[C@H](Cc2ccc(Cl)cc2I)C1 2341059722 NSWLLROFWINCQV-DGCLKSJQSA-N 458.565 3.829 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC2CC(Br)C2)C[C@@H](P(C)(C)=O)C1 2344191283 NGGZCVWYYNFDJQ-HXSCFSKGSA-N 451.342 3.524 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2355426071 LZFAAXBQFHUVPG-FXPVBKGRSA-N 488.039 3.863 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 12573852 DDCYZRPJRVHLEK-UHFFFAOYSA-N 478.412 3.770 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c(Br)c1 13977754 NEYLBHPXCOCOGD-UHFFFAOYSA-N 476.371 3.573 50 10 JHGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)c1 14660340 GFDGNBHLCYKYDZ-UHFFFAOYSA-N 494.411 3.568 50 10 JHGE O=C(/C=C\c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2 33722222 OGEXDQMKGCWLGR-YFHOEESVSA-N 485.650 3.628 50 10 JHGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 35447496 QBIXTZCFCPXTJY-HKWRFOASSA-N 476.558 3.794 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826334 VWEWDLZKZFEKLZ-ZTKZIYFRSA-N 490.535 3.866 50 10 JHGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Cl 58889548 ZECVVFOPCSNDBD-HUTJOEHLSA-N 453.322 3.899 50 10 JHGE Cc1cc(C)cc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 59165717 FWFAONCHRDOILM-PNHLSOANSA-N 458.474 3.658 50 10 JHGE CCOC(=O)c1c(C)[nH]c(C(C)=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1C 252512044 LSWOQTFHIMTYOR-UHFFFAOYSA-N 488.591 3.825 50 10 JHGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNc2cc(Br)ccc2F)cc1 1310132030 XZZUEFQBBOFUQU-UHFFFAOYSA-N 457.325 3.543 50 10 JHGE COc1ccc(-n2nncc2C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866926953 ZQNWFMSBWLDHQU-QHCPKHFHSA-N 498.568 3.829 50 10 JHGE CC1(CBr)CN(C(=O)c2ccc(Br)cc2I)C1 2026219241 VQSGBXXCEJMSJH-UHFFFAOYSA-N 472.946 3.911 50 10 JHGE C[C@@H]([C@@H](Cl)c1cc(I)ccc1Br)S(=O)(=O)N(C)C 2029075194 POJPLVLQDQKKIQ-WRWORJQWSA-N 466.566 3.614 50 10 JHGE COC[C@](C)(CBr)NC(=O)c1ccc(Br)cc1I 2086154386 SZGYFZDAEQHDGJ-LBPRGKRZSA-N 490.961 3.584 50 10 JHGE Brc1cccc(CN2CCN3C[C@@H](Br)C[C@H]3C2)c1Br 2092327604 CRZRBJXKXLUHGK-RYUDHWBXSA-N 453.016 3.865 50 10 JHGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1ccc(Br)cc1Br 2101335776 CVJWJKCMBLAWEJ-WPRPVWTQSA-N 455.972 3.741 50 10 JHGE O=C(c1ccc(Br)cc1I)N1[C@H](CCl)C[C@H]2OCC[C@@H]21 2207260289 FVPQKDKTSAWOTM-TVYUQYBPSA-N 470.532 3.665 50 10 JHGE COc1cc(F)c(Br)cc1[C@@H](Br)c1nn(C)nc1Br 2226986853 LUCOLMPUZMJTHN-SECBINFHSA-N 457.923 3.972 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CCCC[C@]2(CBr)C1 2238799483 INBGFYKKFKZYPW-VGSWGCGISA-N 497.455 3.670 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2ccc(Cl)c(I)c2)[C@H]1Br 2268352025 MZCMDQXNAKOLPC-WDEREUQCSA-N 458.521 3.615 50 10 JHGE O=C(Oc1ccc(Br)cc1C=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccco1 2297710520 PSUDOORUPODVNK-IBGZPJMESA-N 471.263 3.551 50 10 JHGE Cc1csc2nc(Cl)c(C=NNC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)n12 2325903197 DYUJKCHQHRBEPL-ZYHUDNBSSA-N 489.026 3.965 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CCBr 2364214833 PKBDWPGFROGOKE-ZWKOTPCHSA-N 499.471 3.916 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370333016 RBVHXTNTQHANLG-FPCVCCKLSA-N 465.369 3.867 50 10 JHGE C[C@H](Cl)COCc1cn(Cc2ccc(I)c(Br)c2)nn1 2377434898 ONSJFJUVEYFOEG-VIFPVBQESA-N 470.536 3.837 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2)cc1Br 14041444 UUDGMCQEYKGZQH-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE CN1/C(=C(/C#N)C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)Nc2ccccc21 103465824 NXQLTZCMZVREQY-ROMGYVFFSA-N 470.554 3.913 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1 254744305 PXCSTYOLOZNSAD-BXDCRWNASA-N 472.545 3.691 50 10 JHGE O=C(COc1cccc2cccnc12)NN=Cc1ccccc1OCC(=O)Nc1ccccc1 254833069 GCODOVYMFWOZQN-UHFFFAOYSA-N 454.486 3.781 50 10 JHGE C[C@@H](CCl)CS(=O)(=O)Nc1ccc(I)cc1Br 304199356 MBJZRFWICGKDRM-ZETCQYMHSA-N 452.539 3.670 50 10 JHGE O=C(NC[C@]1(CCl)CCCOC1)c1ccc(I)c(Br)c1 721623362 WGYPBOAJLXYFOJ-CQSZACIVSA-N 472.548 3.819 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccnc(N3CCCC3)c2)c(-c2ccccc2)n1 914466865 BIQJIRFYPCJQAV-CJLVFECKSA-N 451.534 3.682 50 10 JHGE COc1cc(C=NNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)ccc1OCc1ccccc1 1084370559 OFFLUBSAYHUOPS-UHFFFAOYSA-N 495.601 3.807 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H]2CN(S(=O)(=O)c3ccc(CBr)cc3)CC[C@H]21 1260505949 XSCZHYWQIIKWRN-DOTOQJQBSA-N 459.406 3.602 50 10 JHGE COC[C@](C)(CBr)CNC(=O)c1cccc(Br)c1Br 1926993706 XBBNUZHOTPYSMV-CYBMUJFWSA-N 457.988 3.989 50 10 JHGE CN(C)S(=O)(=O)C[C@H](Br)c1cc(Br)sc1Br 1936582098 GYCXVZJNIAAGIJ-LURJTMIESA-N 456.019 3.601 50 10 JHGE O=S1(=O)C[C@H]2C([C@H](Br)c3sc(Br)cc3Br)[C@@H]2C1 2006148206 JRXNKAIFCRCKDR-OJFKHTATSA-N 465.026 4.000 50 10 JHGE C[C@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)N1CCCC1 2013716484 SOQIBJPPJYUWCS-OAHLLOKOSA-N 452.377 3.692 50 10 JHGE C[C@@]1(CBr)COCCN(c2ncc(I)cc2Br)C1 2079152494 VGNPOGLKDQQRJP-LBPRGKRZSA-N 489.977 3.687 50 10 JHGE O=C(NC[C@@H](Cl)C(F)(F)F)c1ccc(Br)cc1I 2086148512 BOKQVTACTFTYHL-MRVPVSSYSA-N 456.427 3.953 50 10 JHGE CC(CBr)(CBr)NC(=O)c1cc(Br)ccc1[N+](=O)[O-] 2129198435 FAWKWMHFOOXXLE-UHFFFAOYSA-N 458.932 3.636 50 10 JHGE CC1(C)C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CN(C(=O)OC(C)(C)C)C1 2162587813 XTUABVRSVUWWLX-HNNXBMFYSA-N 461.422 3.895 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCCBr)cc1 2179858820 UJVNGPSMCKUIPM-SFHVURJKSA-N 451.430 3.909 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179868737 OGAWXZZMHWFUAF-OALUTQOASA-N 452.418 3.727 50 10 JHGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1ccc(CBr)o1 2179870826 RJPOFMDBLVXXIA-PIIMJCKOSA-N 453.402 3.991 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCO[C@@H]2C[C@@H](Cl)C[C@H]21 2185325998 OZCJAJAFBFWMLG-ZEGGKSINSA-N 470.532 3.665 50 10 JHGE CCc1nn(C)c(C(=O)N[C@H](C)CCCCCI)c1Br 2192386377 FDEYXYDFSNQYOL-SNVBAGLBSA-N 456.166 3.859 50 10 JHGE CO[C@H]1[C@@H](CBr)N(Cc2ccc(I)c(Cl)c2)C[C@H]1OC 2233352714 FHZMZGXSEFKRBI-MCIONIFRSA-N 474.564 3.554 50 10 JHGE C[C@@H](Br)CN(C(C)(C)C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2259771957 YQPHTBWMUPRVBF-OAHLLOKOSA-N 473.433 3.667 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CCO1 2268358760 MDEHDTKWBVRKMJ-QPUJVOFHSA-N 458.521 3.569 50 10 JHGE Nc1nonc1-n1nnc(C(=O)NN=CC=Cc2ccccc2)c1CSc1ccc(Cl)cc1 2297469576 KWCLJLPPXOETRR-UHFFFAOYSA-N 480.941 3.607 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1sc(Cl)cc1I 2300957360 MZCYXQRSDBOBPK-HLORNFRZSA-N 467.575 3.733 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCCC[C@H]1Br 2338852225 MENRXCUMNBXOPF-QFBILLFUSA-N 485.444 3.716 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@@H](CBr)CCC12CCC2 2364190167 JTFVADUSYJXCQV-QGZVFWFLSA-N 497.455 3.955 50 10 JHGE CS(=O)(=O)[C@H]1C[C@@H](CO[C@H](CI)c2ccc(Br)cc2)C1 2381023378 LUZLDRNCQBMJRK-DDTOSNHZSA-N 473.170 3.765 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC 9696088 LMGPFUFPEOFPGU-ZDUSSCGKSA-N 494.411 3.686 50 10 JHGE Cc1cccc(C)c1OCC(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 9779604 GWUNBLHBCVYOHT-UHFFFAOYSA-N 476.154 3.978 50 10 JHGE CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CCCBr)n1 11854837 JHRBNWOHCMZYMA-UHFFFAOYSA-N 450.362 3.750 50 10 JHGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 14022148 ADAKEKXUCWAGAB-UHFFFAOYSA-N 464.385 3.823 50 10 JHGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 14034393 WDMNRRIHFVFHOL-UHFFFAOYSA-N 465.575 3.979 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc(C)c2)cc1Br 14041429 ZQKURJUTDUJAKI-UHFFFAOYSA-N 464.385 3.886 50 10 JHGE COc1ccccc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40648405 MIVDQAKXVGKKMD-UHFFFAOYSA-N 479.280 3.966 50 10 JHGE COc1ccc(OC)c(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 48573009 UYYNLYBGHBOQHD-ZVHZXABRSA-N 473.938 3.922 50 10 JHGE CCCCCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 100313500 GUJQIWGEUGVBJS-JOCHJYFZSA-N 451.567 3.846 50 10 JHGE COc1ccc(CCNC(=O)/C(C#N)=C2/N=C(NC(=O)c3cccs3)c3ccccc32)cc1 102673695 VCCGQFJXGMRRHV-LSDHQDQOSA-N 456.527 3.540 50 10 JHGE CCOC(=O)C1CCN(C(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 217199908 CXOQALZUBJVRIP-ROMGYVFFSA-N 486.616 3.603 50 10 JHGE COc1ccc(CCN2C(=O)CSC2=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 254311385 ZGLJDYRVQJUNQA-UHFFFAOYSA-N 455.580 3.820 50 10 JHGE Cn1cc(Br)c(Cn2c(CCl)nc3cc(I)ccc32)n1 393479667 CSBZJBIDVSBYPB-UHFFFAOYSA-N 465.520 3.924 50 10 JHGE CC(=NNC(=O)COc1ccc(Br)cc1Br)c1cc(O)ccc1O 1083913011 YPPJHBJJPJZDMY-UHFFFAOYSA-N 458.106 3.542 50 10 JHGE CSc1ccc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 1083951764 QUBKYZFFORBRFV-UHFFFAOYSA-N 484.559 3.662 50 10 JHGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC#N 1083987669 SKSLZOPANJXLJS-SFHVURJKSA-N 460.328 3.714 50 10 JHGE C=CC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)C1 1146475841 ULXGJJPDGPHJFC-MCRQTXEHSA-N 451.958 3.801 50 10 JHGE CC(C)COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1ccc(Br)cc1 1318312937 YNVJJYGLCQDORR-UHFFFAOYSA-N 457.328 3.744 50 10 JHGE C[C@@H](C(=O)NNC(=O)Nc1cccc(Cl)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772179 UETXLVLMFVXRBT-NEPJUHHUSA-N 459.959 3.650 50 10 JHGE O=C(CBr)c1ccc(I)c(OC(F)(F)F)c1[N+](=O)[O-] 2055245935 QOWPWQSUOGHWIE-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE O=S(=O)(c1ccsc1CBr)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2123284767 SCWOBAAHKWPYOF-IRXDYDNUSA-N 455.443 3.786 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2163293175 ZTSSUYWQCCIGAJ-SVRRBLITSA-N 457.131 3.705 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2167011911 TZFAIHJGULIVTN-JTDSTZFVSA-N 497.455 3.667 50 10 JHGE Cc1cccc(C(=O)N[C@@H](C)c2nnc(CBr)s2)c1I 2192616292 UMJRRXOMTXMLQK-QMMMGPOBSA-N 466.142 3.837 50 10 JHGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1ccc(I)c(Cl)c1 2195488952 GBSWSGLZUNUPTC-KOLCDFICSA-N 472.548 3.865 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N3CCOCC3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296846627 HYEBHMJODXBRDI-UHFFFAOYSA-N 472.545 3.859 50 10 JHGE C[C@H](Cl)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2367001254 ABFFPNDWGBWMIN-OOKSDGMUSA-N 453.004 3.653 50 10 JHGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041877 WOJKAAUSXIIXNC-UHFFFAOYSA-N 483.977 3.676 50 10 JHGE O=C(COc1ccccc1)NCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 15979705 SXIAYJRRGUWZOS-UHFFFAOYSA-N 496.361 3.673 50 10 JHGE aggregator Cc1ccc2nc(NCC(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc(-c3ccccc3)c2c1 35549575 UVGISAJPMRBQFA-UHFFFAOYSA-N 473.449 3.977 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 40527362 TXLILBZXHJFRCS-HSZRJFAPSA-N 488.412 3.706 50 10 JHGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814656 ROVZEMVXTQWEPK-LGUFXXKBSA-N 480.546 3.930 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C(\C)c1ccccc1O 59829635 OOBCCXGFPXNVOY-KOEQRZSOSA-N 450.568 3.723 50 10 JHGE CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)CO2 97071016 RYPPYCOPMQMUEP-KCBMDGGTSA-N 478.299 3.651 50 10 JHGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cn1 382717385 LIEVKSYGOBGJPA-DLBZAZTESA-N 452.292 3.877 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2scc(Br)c2Br)C1 707817675 RSWAGGRLYKSBLL-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)c(-c2ccccc2)n1 918640972 ADIXPCJWXCOXRX-JKALPCAWSA-N 457.456 3.941 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 1154050711 VRBFISTVSNJWPF-HXUWFJFHSA-N 450.564 3.520 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3c(C)cccc3C(C)C)CC2)cc1 1298633076 KFUAEEFAWFHLPZ-UHFFFAOYSA-N 457.596 3.865 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)cc1 1465641576 JQFSOWYTWZGONP-MWOWJKGTSA-N 459.568 3.557 50 10 JHGE COc1ccc(/C(C#N)=C/c2cccc(OC(=O)CN3C(=O)c4ccccc4C3=O)c2)cc1OC 1615066824 QVZBKJCIWAQVAZ-XDHOZWIPSA-N 468.465 3.970 50 10 JHGE CSCC[C@@H](NC(=O)CCc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(SC#N)cc1 1867263219 DVIZWOBZQQLOFT-LJQANCHMSA-N 481.603 3.718 50 10 JHGE CN1C[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 1904325871 CXDIVQXSOMSQOK-MWLCHTKSSA-N 458.963 3.921 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CCC[C@H](CI)O1)CO2 2005246767 PDXZKTHDHOJQHZ-RDTXWAMCSA-N 451.345 3.919 50 10 JHGE CC1(C)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2092247762 RUTCVEWZPWAWHK-MRXNPFEDSA-N 485.444 3.526 50 10 JHGE O=C(c1csc(I)c1)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2107043604 AYRPXZKMBNPSFH-SFYZADRCSA-N 468.076 3.998 50 10 JHGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CCC[C@]2(CBr)CCCC[C@@H]12 2165244758 SZACYUROBSFYFU-UXHICEINSA-N 457.434 3.552 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(F)c(Br)c1 2232149560 APLOHQXXSWSLKB-QPUJVOFHSA-N 464.138 3.716 50 10 JHGE Cn1nc(Br)c(CC(CBr)(CBr)c2ccc(F)cc2)n1 2235291939 CBYSKDDMJDSWGE-UHFFFAOYSA-N 469.978 3.987 50 10 JHGE Cc1ccc(B(O)O)c(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 2269565211 BUYYEWLTELBGDF-AREMUKBSSA-N 486.377 3.567 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C(CBr)[C@H]2C1 2277918824 VGUBYCICKLYBHA-CHWSQXEVSA-N 451.984 3.853 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2COCC2(C)C)CC1 2301197468 HGXZSKXAUDZQPD-CQSZACIVSA-N 453.361 3.880 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@H]1[C@@H]2CBr 2312104206 NSMJPLWOAPCWTA-NYRNMGCKSA-N 484.957 3.909 50 10 JHGE CCOc1ccc(C=CC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 2313890590 RCDBBAHQFFTJTD-UHFFFAOYSA-N 450.322 3.972 50 10 JHGE C[C@@H]1C[C@@H](Br)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338840471 NDDYBNTYFXJCAL-SJORKVTESA-N 485.444 3.668 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)CC12CCCC2 2364006996 MIPYAVXSEHHHAN-QMMMGPOBSA-N 470.003 3.867 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CCl)C[C@@H]2CCC[C@H]21 2364202044 NTXCHIWGUKCZKE-ABSDTBQOSA-N 453.004 3.655 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)cc1Br 2209772 SENJTMBUQXEJFB-HXUWFJFHSA-N 479.334 3.589 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1 14037250 NMKGUJBEVRYEDA-UHFFFAOYSA-N 470.595 3.799 50 10 JHGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 40569389 IYFYHSNFZHPHLO-YLJYHZDGSA-N 470.367 3.960 50 10 JHGE Nc1c(NNC(=O)c2ccccc2Cl)ncnc1NNC(=O)c1ccc(Cl)cc1Cl 40784820 XSOBBUIXOLBQNU-UHFFFAOYSA-N 466.716 3.533 50 10 JHGE COC(=O)[C@@H](CI)NC(=O)OCC1c2ccccc2-c2ccccc21 95761658 CWUVRMHOLORRBM-QGZVFWFLSA-N 451.260 3.502 50 10 JHGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1=O 101335218 YFRZBQYXGAASDA-HZHRSRAPSA-N 468.513 3.787 50 10 JHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598915 AITWYRXNFGIPEO-OVVQPSECSA-N 494.935 3.795 50 10 JHGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\NC1CCN(C(=O)OC(C)(C)C)CC1 217188084 IXDMEMULALJQFV-UGDGIKRESA-N 456.587 3.968 50 10 JHGE CCOc1cc(C=NNC(=O)CNc2ccc(OC)cc2)ccc1OCc1ccc(C(=O)OC)o1 254448120 CWCLRJLSMMXQCV-UHFFFAOYSA-N 481.505 3.615 50 10 JHGE COCC[C@H](CBr)NC(=O)c1cc(I)ccc1Br 305931364 OWULOYAMOKXSSO-SECBINFHSA-N 490.961 3.584 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCS[C@H](CBr)C1 720087995 WJEVEULYNDNIRR-SECBINFHSA-N 460.562 3.897 50 10 JHGE CC(=O)Oc1ccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 725439468 SLTPCMQXZXTOGY-UHFFFAOYSA-N 470.573 3.694 50 10 JHGE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNC(=O)c2ccc(F)cc2)C1 1084189051 MZNFASXCGNFWCK-GOSISDBHSA-N 469.517 3.583 50 10 JHGE N#CCOc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084292322 HSOWSEVQQXEWEK-UHFFFAOYSA-N 482.949 3.588 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)cc1)Nc1cccc(Cl)c1 1084513440 VVRBWCILRPEUHR-UHFFFAOYSA-N 468.872 3.585 50 10 JHGE CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)cc1C 1562506549 DXHGXAKEHKHRFT-VWLOTQADSA-N 456.546 3.977 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Cl)CCC2 1772743929 LMKPGSGZENHQNY-UHFFFAOYSA-N 468.897 3.688 50 10 JHGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1ccccc1C(F)(F)F 1860770124 URWQWQLNNVIGQQ-UHFFFAOYSA-N 472.448 3.605 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(Cl)cc4F)c(=O)c23)cc1 1860770759 WFHMUSBHGXTZBD-UHFFFAOYSA-N 470.913 3.687 50 10 JHGE CN([C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 2044694779 YBMDXOOXVBYBOQ-RBUKOAKNSA-N 467.385 3.659 50 10 JHGE CC(C)(C)[C@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2128678419 GQNIGIJDJOTJLG-ZWKOTPCHSA-N 485.444 3.667 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2162592511 VHNAJVIPCDZHQT-HOTGVXAUSA-N 461.422 3.943 50 10 JHGE CN(C1(CBr)CC2(CCC2)C1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2164570930 RWADWRFPWJGYBS-UHFFFAOYSA-N 497.455 3.812 50 10 JHGE CC[C@H]1CN(S(=O)(=O)c2ccc(CCBr)cc2)CCN1Cc1ccccc1 2179789946 XTGHZJYSJRLXRO-FQEVSTJZSA-N 451.430 3.909 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(CCCBr)cc1 2179858819 UJVNGPSMCKUIPM-GOSISDBHSA-N 451.430 3.909 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185292056 FPCURFWNSCRVQQ-FRRDWIJNSA-N 467.983 3.979 50 10 JHGE Cc1cc(C(=O)N[C@H](CBr)C[C@H]2CCCO2)ccc1I 2207108691 YLZGAIDINMUAFK-QWHCGFSZSA-N 452.130 3.662 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NCC3(CBr)CC(F)C3)CC2)C1 2265632893 QLVUICMSIWLXQX-UHFFFAOYSA-N 453.418 3.999 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)C1(CCBr)CCC1 2338670026 LSCDAPGFRDXEAV-UHFFFAOYSA-N 457.992 3.725 50 10 JHGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338841696 BDDFAPCWVNJAST-GPMSIDNRSA-N 485.444 3.667 50 10 JHGE C=CC[C@@]1(CBr)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364206751 VTCXJNVCBOZJQV-QFIPXVFZSA-N 497.455 3.836 50 10 JHGE Cc1c(Br)cnc2c1nc(CCl)n2-c1c(I)cnn1C 2381867419 JSTMTMFGJDDNKK-UHFFFAOYSA-N 466.508 3.568 50 10 JHGE O=C(Cn1nnc2ccccc21)N/N=C/c1ccccc1OCc1ccc(Br)cc1 1501027 VQSANTXLRVVDIA-ZMOGYAJESA-N 464.323 3.923 50 10 JHGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 10471872 ILGCVBGDVUMWQO-UHFFFAOYSA-N 482.606 3.942 50 10 JHGE CCc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14039928 PJVZGSGCIVOYPS-LBPRGKRZSA-N 455.736 3.659 50 10 JHGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc2c(c1)OCCO2 40762124 LNEWVVNICYOMPL-UHFFFAOYSA-N 468.517 3.849 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59884572 RZEGCOVOBPUUGN-WYMPLXKRSA-N 485.957 3.880 50 10 JHGE COc1ccccc1C(=O)N/N=C1/C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21 103608821 JUKVOXBSYMCFBM-MVQVBJGYSA-N 469.545 3.756 50 10 JHGE N#C/C(=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C(=O)NCc1ccco1 206673826 GYTGFUVFHLNMTD-PXNMLYILSA-N 462.374 3.539 50 10 JHGE C[C@@H]1CO[C@H](CCl)CN1C(=O)c1cc(I)ccc1Br 235291717 WLNQHKDPUAMWKH-PSASIEDQSA-N 458.521 3.522 50 10 JHGE CCc1ccccc1N(CC(=O)NN=Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1 254292330 TURMAKOOKCXKGN-UHFFFAOYSA-N 479.558 3.632 50 10 JHGE C[C@@H](CCBr)CCn1cnc(I)c1I 308556585 SQOUONGVQTWSOQ-ZETCQYMHSA-N 482.929 3.904 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 729172141 MIMYMFIXXIKHAH-UHFFFAOYSA-N 469.313 3.555 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)N1CCc2ccccc2C1 761396242 DNLXEQVGYXHJEV-HSJQUHBMSA-N 479.540 3.887 50 10 JHGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2ccc(C(C)C)cc2)c1C#N 1084200705 RSOODGUXJNPYDT-UHFFFAOYSA-N 459.344 3.823 50 10 JHGE C/C(=C/C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1cccc(C(F)(F)F)c1 1135538493 TVPVHUDZHORYIL-KAMYIIQDSA-N 458.440 3.861 50 10 JHGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-] 1145048031 KJGOBDAIVMLXLO-ZRDIBKRKSA-N 455.414 3.836 50 10 JHGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749255 JVRDGBVJEXXVBP-UHFFFAOYSA-N 488.331 3.620 50 10 JHGE O=C(NC[C@H]1C[C@@H]1Br)c1ccc(I)c(Br)c1 1991452482 AVKNXSTZOBHRBH-SFYZADRCSA-N 458.919 3.567 50 10 JHGE O=C(c1csc(Br)c1Br)N1CCOC[C@@H](CBr)C1 2036924279 SQSNHPDRYUONOQ-ZETCQYMHSA-N 462.001 3.757 50 10 JHGE COC(=O)c1ccc(I)c(I)c1CBr 2055331065 JOTKUBJQRYIJGH-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE CC(F)(F)C[C@@H](CBr)NC(=O)c1ccc(F)cc1I 2113235032 FNULURNMMCHCCS-QMMMGPOBSA-N 450.036 3.969 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC(F)(F)C(F)(F)C1 2179786087 VMBSEECZHZAIJP-UHFFFAOYSA-N 461.094 3.680 50 10 JHGE O=C(N[C@@H](CCl)C[C@H]1CCOC1)c1cc(I)ccc1Br 2195506510 SXOPBSGITCQKDC-MWLCHTKSSA-N 472.548 3.818 50 10 JHGE CN1CCN(C(=O)c2cc(Br)ccc2Br)[C@H](CCBr)C1 2202835889 ZRFCNVNOPVIUMB-LLVKDONJSA-N 469.015 3.753 50 10 JHGE Cc1ccc(CBr)cc1NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2278725387 MLHWBFHNFAZCAP-HXUWFJFHSA-N 483.359 3.656 50 10 JHGE C=CC[C@@]1(CCl)CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2287757789 KCDCUBBGQQOJCM-QFIPXVFZSA-N 453.004 3.822 50 10 JHGE C[C@H](CCCCCI)NCc1ncc(I)cn1 2307620392 XLMJCTJBPYFSTE-SNVBAGLBSA-N 459.113 3.555 50 10 JHGE CC[C@H](C)[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316816124 WTFIWZQCEWZZDJ-MAUKXSAKSA-N 473.433 3.572 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)cc(C)c1Cl 13979873 XDWXGIZEUBQLKM-UHFFFAOYSA-N 455.967 3.753 50 10 JHGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccccc1I 13981558 RCYDVPONTWMURL-UHFFFAOYSA-N 472.282 3.798 50 10 JHGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 14034372 IPAYQEIRXBKXSW-UHFFFAOYSA-N 457.596 3.949 50 10 JHGE CCCCOc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br 14041270 QRNNLUPVDZSUOO-UHFFFAOYSA-N 481.343 3.729 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3OC(C)C)cc2)c1 14664710 SXYOJJYAFXVPQI-UHFFFAOYSA-N 490.585 3.984 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1cccc(C)c1 41015428 JUZBRAAFUMUGLT-LTGZKZEYSA-N 464.518 3.534 50 10 JHGE CCNc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N2CCCC2)cc1[N+](=O)[O-] 254702704 YYEBAWNWKVJNSQ-UHFFFAOYSA-N 461.526 3.885 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 254741720 JYNLQVZMUZKDLU-UHFFFAOYSA-N 463.446 3.985 50 10 JHGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(O)cc2O)C1 382711140 YSEXLIBAZUKFTC-RHSMWYFYSA-N 453.276 3.885 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H](c2cc(O)ccc2O)[C@@H](CI)C1 382727456 RJYCRZXTMUIJGO-YOEHRIQHSA-N 453.276 3.885 50 10 JHGE O=C(NN=Cc1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(OCc2ccccc2)cc1 1084444548 SIRYHELNDZCQIR-UHFFFAOYSA-N 496.317 3.846 50 10 JHGE C/C(=C\C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1C(F)(F)F 1140534716 XQCUWILLXVBLEM-ZQHYZAEZSA-N 455.477 3.903 50 10 JHGE C#CC[C@H](NC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1 1670715569 BAODFPTVJRJFLT-IZZNHLLZSA-N 452.558 3.709 50 10 JHGE O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 1860391535 MOFZSMUEFNGITG-UHFFFAOYSA-N 455.495 3.626 50 10 JHGE COc1ccc2[nH]cc(/C=N/NC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)c2c1 1860773828 GNPMLCDERHJCAZ-YDPMSTQMSA-N 463.563 3.784 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2C(=O)O)cc1OC 1866130333 OZHDUSODOSSYMF-KPKJPENVSA-N 478.242 3.552 50 10 JHGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1cc(Br)cc(Br)c1 1878685077 VBXOESAMSKTSPI-JOYOIKCWSA-N 455.972 3.741 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCC[C@H](CI)O2)C[C@@]12CCCOC2 1950593453 NPGPAZMIDQXIRH-OLMNPRSZSA-N 451.345 3.919 50 10 JHGE O=C=Nc1ccc(OC(F)(F)F)c(I)c1I 2060035041 ZUWWDWVGXQDOMA-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE CCCN1CCC[C@H]([C@H](Br)c2cccc(I)c2)S1(=O)=O 2145775135 IPPGRSIQTZFXDU-ZIAGYGMSSA-N 472.186 3.931 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(S(=O)(=O)c3ccc(CBr)cc3)C[C@@H]21 2163056229 PGNZPQVHFPNWMN-RDJZCZTQSA-N 459.406 3.602 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@]2(CBr)CCC[C@H]12 2165253367 XWXQHOKDXHOYGL-AVRDEDQJSA-N 497.455 3.668 50 10 JHGE CCn1cc(S(=O)(=O)N2CC3(CC(OCc4ccccc4)C3)C2)cc1CBr 2179795550 SUDGLELEQYVJPO-UHFFFAOYSA-N 453.402 3.773 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1cc(Cl)ccc1I 2206483568 FHEXVILZVOVEFS-RYUDHWBXSA-N 470.532 3.759 50 10 JHGE O=S(=O)(N[C@H]1CC[C@@H]1CBr)c1cc(Br)ccc1Br 2218393883 QYYWLDMIEPEPAP-XCBNKYQSSA-N 462.001 3.663 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@]12C[C@](C(F)F)(CO1)C2 2247368812 NYPJBLMSEZDGDP-JYJNAYRXSA-N 461.287 3.536 50 10 JHGE CCN(CC)S(=O)(=O)C[C@H](Br)c1c(F)cccc1I 2267731625 ISHIAHOEKLKDFM-VIFPVBQESA-N 464.138 3.538 50 10 JHGE Cc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2269567571 PDECQTAAVHTTSQ-AREMUKBSSA-N 486.377 3.567 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3sc(Cl)cc3I)[C@@H]2C1 2300957361 MZCYXQRSDBOBPK-MKTOGPLKSA-N 467.575 3.733 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C=Cc1ccccc1 2313574206 NVOJYHUXILRRPU-UHFFFAOYSA-N 468.145 3.760 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)c(C)c1 2313616911 UFFLQTABYKVBPD-UHFFFAOYSA-N 474.586 3.911 50 10 JHGE COc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCC(=O)Nc1ccc(C)cc1C 2328818783 QJSMEZVODYAGDS-SFHVURJKSA-N 498.580 3.693 50 10 JHGE Cc1ccc(Br)c(CNCC(F)(F)C(F)(F)CI)n1 2336541775 QQTLZMCWXSXNOD-UHFFFAOYSA-N 455.031 3.948 50 10 JHGE CN1CCC(CBr)(NC(=O)c2cc(Br)cc(Br)c2)CC1 2380725895 BXAQLWOJUODIJT-UHFFFAOYSA-N 469.015 3.801 50 10 JHGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623325 QPCOXIXXMGCAAB-SYYKKAFVSA-N 451.567 3.554 50 10 JHGE O=C(NNC(=O)c1ccco1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 39852185 QOAYRLIYRAPRCT-UHFFFAOYSA-N 456.380 3.918 50 10 JHGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc1Cl 40784537 FZVSHAHNTFQNKK-UHFFFAOYSA-N 493.749 3.992 50 10 JHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1 66201475 YLWQRAQSPVQVCV-UHFFFAOYSA-N 470.566 3.892 50 10 JHGE COCCOCCOCCOC(=O)/C(C#N)=C/c1ccc2cc(N3CCCCC3)ccc2c1 95598446 NRZNTGUFHSJBTD-HKOYGPOVSA-N 452.551 3.960 50 10 JHGE in-man Cc1cccc(C(=O)N(CCBr)CC(F)(F)F)c1I 235778755 QNWCUJRMKOVLRE-UHFFFAOYSA-N 450.036 3.999 50 10 JHGE O=C(C[C@H]1C(=O)NN=C2c3ccccc3N=CN21)NN=Cc1c2ccccc2cc2ccccc12 254291960 RDAHPAZOQFEOKU-DEOSSOPVSA-N 460.497 3.669 50 10 JHGE CCOC(=O)[C@H](Cl)Cc1cc(I)cc(I)c1 690363870 OTRYAUYOSSMNTO-SNVBAGLBSA-N 464.468 3.609 50 10 JHGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)c2ccc(OCC)cc2)cc1OCC 1084563798 IPLADDCAYAJYKW-UHFFFAOYSA-N 493.354 3.952 50 10 JHGE CC(=NNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 1084566810 ZDMWXBWBYRAHTA-UHFFFAOYSA-N 480.546 3.947 50 10 JHGE CCOC(=O)c1cc(CBr)nc(I)c1OC(F)(F)F 1848387704 PEBWRHFPKPTAKI-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714534 MNRCHAVYIYYASW-JOCHJYFZSA-N 497.511 3.884 50 10 JHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C(N)=O)c1C 1866132022 YGHDOTBCJRJFCS-KPKJPENVSA-N 462.325 3.640 50 10 JHGE COc1ccc2nc(/C=N/NC(=O)COc3ccc(C(=O)NCc4ccccc4)cc3)ccc2c1 1873496447 SBPKARVRWJHSJV-STBIYBPSSA-N 468.513 3.703 50 10 JHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CCl)cc2)CCN1C(=O)OC(C)(C)C 1965790501 FVBHCMAMCAGXTF-UHFFFAOYSA-N 490.022 3.819 50 10 JHGE ClCc1ccc(Cl)c(-n2cnc(I)c2I)n1 1985355424 QGOJRUXDFCCOHC-UHFFFAOYSA-N 479.874 3.869 50 10 JHGE BrC[C@@H]1[C@H]2CCN(c3ncc(I)cc3Br)C[C@H]21 2015768528 UTIBEYSBLIHTJJ-OPRDCNLKSA-N 471.962 3.916 50 10 JHGE O=C(N[C@H]1C[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2)N1CCC(Br)CC1 2044174756 AHLRWDOCJQFHSP-NZSAHSFTSA-N 450.377 3.745 50 10 JHGE CCN(C[C@](C)(CI)OC[C@@H]1OCCOC1(C)C)C(=O)OC(C)(C)C 2066859956 JQUKOXACJQFPIS-KSSFIOAISA-N 471.376 3.648 50 10 JHGE CN(C[C@@H](Br)C1CCCCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2111362502 CXFKOHWPCQOHPH-LJQANCHMSA-N 485.444 3.668 50 10 JHGE CC1(C)C[C@@H](CBr)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2115963671 DXCKNECWZLMMAJ-INIZCTEOSA-N 485.444 3.526 50 10 JHGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1cc(I)ccc1O 2159049991 RIKKJYZHEMZUIO-LBPRGKRZSA-N 460.056 3.632 50 10 JHGE CCOc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccccc2)cc1CBr 2179827806 JILGFFGCSWOKOY-UHFFFAOYSA-N 455.418 3.733 50 10 JHGE COC(=O)[C@@H](Br)COCc1cc(I)ccc1Br 2302777209 TZJMBUHIVUOSOG-JTQLQIEISA-N 477.918 3.507 50 10 JHGE Clc1ccc(CN2C[C@H]3COC[C@@H](C2)[C@H]3Br)cc1I 2337213662 BOQUYMKWPGNSEA-GNXNZQSNSA-N 456.549 3.786 50 10 JHGE CN(C[C@@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843786 CDOOSMXNAJPONQ-LPHOPBHVSA-N 485.444 3.668 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCCC[C@H]1CCl 2364216424 OABKQKUPOJDNPJ-ZWKOTPCHSA-N 455.020 3.808 50 10 JHGE O=C(NNS(=O)(=O)c1cnc(Cl)c(Br)c1)C(c1ccccc1)c1ccccc1 35551292 OVQYGVQQUOQYKQ-UHFFFAOYSA-N 480.771 3.639 50 10 JHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823910 DQZHLKIPXVAMMF-ZXVVBBHZSA-N 450.470 3.720 50 10 JHGE CCOc1cc(C=NNC(=O)CNc2cccc(Br)c2)cc(Br)c1O 254759125 HZPONOPZYQNQIU-UHFFFAOYSA-N 471.149 3.878 50 10 JHGE O=C(OCc1ccccc1)N1CC[C@H](I)[C@H](CI)C1 307657408 RNGYEQYHVSYRLO-OLZOCXBDSA-N 485.103 3.884 50 10 JHGE O=C(NC[C@@H]1CCC[C@H](CBr)C1)c1cc(I)ccc1O 312494571 PREHIYFFBYRSQL-WDEREUQCSA-N 452.130 3.928 50 10 JHGE COCCN(CCBr)C(=O)c1ccc(I)c(Br)c1 721620303 NZHFIXUQQFCSQQ-UHFFFAOYSA-N 490.961 3.537 50 10 JHGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1OS(=O)(=O)c1ccccc1 725423652 KXCPYKRXAKRUIA-UHFFFAOYSA-N 466.544 3.573 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2C)cc1 726933064 CPMZEJKRRXXUNA-ATVHPVEESA-N 463.925 3.942 50 10 JHGE COc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1S(=O)(=O)Nc1ccc(C)cc1 728718270 DPJDTSLHPMSOBY-UHFFFAOYSA-N 465.453 3.979 50 10 JHGE O=C(/C=C/c1cc2ccccc2o1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1087686901 VLSGJLVGJJDAIY-CCEZHUSRSA-N 464.485 3.609 50 10 JHGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)C1 1872961346 JURJFXFJHZFFCJ-LEWJYISDSA-N 499.571 3.609 50 10 JHGE COC(=O)c1c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)sc(/C(C)=C/C#N)c1C 1873427068 FXVXIKXNTTVABF-JLHYYAGUSA-N 451.504 3.785 50 10 JHGE O=C(N[C@H]1C[C@@H](Br)C1)c1cc(I)ccc1Br 1986070609 IGSNEUDSULWLES-WRXNHJIOSA-N 458.919 3.709 50 10 JHGE O=C(Cc1ccccc1I)N1CCC(CI)CC1 2037345807 GBABUQQCSCZHGL-UHFFFAOYSA-N 469.104 3.507 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)c1scc(Br)c1Br 2049904031 PLWRRNOZMHGYIU-LLVKDONJSA-N 462.001 3.899 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@]2(CBr)C1 2086139348 NLLAQKJINZXBNU-OQPBUACISA-N 484.957 3.911 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@@H](Br)CC2(CCC2)C1 2151350075 YPQUZEPLQADYIE-NSHDSACASA-N 450.114 3.777 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CC12CCC(Br)CC2 2157504399 QLAXHXRDIWOIRR-YPHUNTSASA-N 497.455 3.716 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2162589002 LXIYKDGRQICEEB-RDJZCZTQSA-N 461.422 3.943 50 10 JHGE Cn1ncc(Cn2c(CCl)nc3cc(I)ccc32)c1Br 2173180968 BHEOKOZVCQHBGC-UHFFFAOYSA-N 465.520 3.924 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2174306060 LZFAAXBQFHUVPG-YWVKMMECSA-N 488.039 3.863 50 10 JHGE C[C@](CCl)(CI)OCCOCCOCCOCc1ccccc1 2211318297 VDHNVJQBTLPWNL-KRWDZBQOSA-N 456.748 3.686 50 10 JHGE O=C(NC/C=C/CBr)c1ccc(I)c(Br)c1 2244745163 HHTLNYGICUSZIW-OWOJBTEDSA-N 458.919 3.735 50 10 JHGE Cc1cc(-n2cnc(I)c2I)cc(CCl)n1 2244985384 ZOMDMSGZHNIKHL-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 2314740487 JNIQHHGGZDFJQR-UHFFFAOYSA-N 462.458 3.748 50 10 JHGE C[C@@H]1CC[C@@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338853009 UWTZIKNUCSOQPH-SJORKVTESA-N 485.444 3.668 50 10 JHGE COCCN1C[C@H](Br)[C@H](Cc2cc(I)ccc2Cl)C1 2352432708 WUWRUSBWGDHQRK-YPMHNXCESA-N 458.565 3.829 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2C[C@@H](Cl)CC[C@H]21 2364215130 JCWGCRDNQBAKOG-FUHIMQAGSA-N 453.004 3.655 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccccc1Br)c1ccc(NC(=O)c2ccccc2)cc1 13982266 ONQCTWMFSFDJMV-UHFFFAOYSA-N 497.374 3.651 50 10 JHGE C/C(=N\NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1cccnc1 59261069 FLJVCHBZUATAGV-OVVQPSECSA-N 457.563 3.907 50 10 JHGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccc2c3c(cccc13)CC2 59464112 RAQJHMJFHVNMAM-UVHMKAGCSA-N 475.492 3.874 50 10 JHGE N#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1Sc1ccccc1 217243410 AKANMQPTBUYWHZ-NXVVXOECSA-N 450.545 3.943 50 10 JHGE CCN(CCBr)C(=O)c1cc(Br)ccc1I 233464520 QHTINYIIWITBAA-UHFFFAOYSA-N 460.935 3.911 50 10 JHGE CCOc1ccc(N(CC(=O)NN=Cc2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 252602939 FMNNLSKSBCXUBN-UHFFFAOYSA-N 461.927 3.677 50 10 JHGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 725444057 ZGXJDWUATBBEOG-UHFFFAOYSA-N 464.909 3.755 50 10 JHGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1cnn2ccccc12 729632569 CJYYXPZNFJZYBM-UHFFFAOYSA-N 453.531 3.824 50 10 JHGE Nn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccccc1OCc1ccccc1 1084056470 RLWWGYAEZHHYQQ-UHFFFAOYSA-N 486.601 3.599 50 10 JHGE CC(=O)N(C)c1ccc(CNC(=O)NNc2cccc(OC(F)F)c2Br)cc1 1253197449 QHWPCBIMCMKXTE-UHFFFAOYSA-N 457.275 3.860 50 10 JHGE Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NNC(=O)c2ccc(Br)cc2)C1 1322350208 OPGGWLZJYNPTNG-CQSZACIVSA-N 465.779 3.881 50 10 JHGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1865852461 XUYJLUDVWSGGEE-UHFFFAOYSA-N 490.585 3.748 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1877421259 MIVXKPHCUTZARI-BZSNNMDCSA-N 455.393 3.728 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(Br)ccc1N 2065849249 UREVUIFNLFJXBW-UHFFFAOYSA-N 450.424 3.667 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC[C@@H](CBr)C(C)(C)C)CC1 2107393914 SBGUYBOUKJTIGZ-WZQKQDCOSA-N 454.475 3.999 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](F)[C@H](CBr)C1 2120595763 CHUJUIDXMFLFRZ-XCBNKYQSSA-N 479.991 3.565 50 10 JHGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(c2ncnc(O)c2I)C1 2164998364 JKUNREMXKITOMZ-VHSXEESVSA-N 454.150 3.670 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCCOCCOCCOCc2ccccc2)C1 2211319735 KULFDSOEYBGIKM-VQTJNVASSA-N 488.419 3.636 50 10 JHGE C[C@H](Cl)COCc1cn(-c2ccc(Br)cc2I)nn1 2278378012 ZYNJLCUUCQTELJ-QMMMGPOBSA-N 456.509 3.778 50 10 JHGE C=C[C@]1(CBr)COCCN1C(=O)c1ccc(Cl)c(I)c1 2283664398 QLDFWNQILKBGRJ-AWEZNQCLSA-N 470.532 3.737 50 10 JHGE C[C@H]1N(Cc2ccccc2)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2304718101 LAAHKIBQTJXCTI-VGOFRKELSA-N 469.673 3.600 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2358082834 YAPUJLZCRUKEAU-DCAQKATOSA-N 488.039 3.863 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2364017132 GZZOGBANGDSCPO-VGMNWLOBSA-N 470.003 3.723 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2364214937 QLXPXEIDJJGXMC-RCCFBDPRSA-N 497.455 3.668 50 10 JHGE O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1OCc1ccc(F)cc1 12611024 CGBXGHPPDKLOBL-HXUWFJFHSA-N 493.510 3.857 50 10 JHGE C/C(=N\NC(=O)C(=O)N/N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1 13987490 VJRJXHMRIIHSKH-XHQRYOPUSA-N 480.160 3.592 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)O 59305236 WDIQHLZEFPBYMF-LSHDLFTRSA-N 461.268 3.821 50 10 JHGE COc1ccccc1NS(=O)(=O)c1cc(N/C=C2\C(=O)OC(=O)c3ccccc32)ccc1C 98214574 DOOCSMGOTPIOLS-RGEXLXHISA-N 464.499 3.954 50 10 JHGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)CNC(=O)c3cccc4ccccc34)c2)cc1 254518451 NJXHTHUANFOLTQ-UHFFFAOYSA-N 481.508 3.948 50 10 JHGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cc3ccccc3nc2O)c1 254833943 NSGNJGPBSLULFP-UHFFFAOYSA-N 467.485 3.590 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(O)cc3)nc3ccccc3c2=O)cc1 263630794 IADOYWHPIMXGMQ-UHFFFAOYSA-N 474.542 3.732 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)c2ccc(Br)cc2Br)C1 401653917 MFUWUIYFFIGRLN-CYBMUJFWSA-N 455.972 3.838 50 10 JHGE COc1cccc(C=NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1 1084014707 CJHRXZQUDADWEE-UHFFFAOYSA-N 463.490 3.737 50 10 JHGE COc1cc(C(=O)Nc2ccc(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)cc2)cc(OC)c1OC 1084337978 OVLKUJBFISTPLX-UHFFFAOYSA-N 478.461 3.637 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1 1084421705 YUPXCZNJDUHCIT-UHFFFAOYSA-N 468.284 3.929 50 10 JHGE CCOC(=O)Cc1cs/c(=N/C(=O)/C(C#N)=C/c2ccccc2)n1C(=O)/C(C#N)=C/c1ccccc1 1615171538 MZMZULLIFGTMEV-VFNBGGMJSA-N 496.548 3.937 50 10 JHGE CCOC(=O)Cc1c(I)cnc(CBr)c1OC(F)(F)F 1848387652 LIKHGQHYRZNVAY-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCOC(=O)Cc1cc(CBr)c(OC(F)(F)F)nc1I 1848387716 QAUVTZVVISWZBQ-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CC(C)Oc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860771025 GXEIMKWXSDIGKP-PMOIYJJYSA-N 494.617 3.792 50 10 JHGE CC(C)(C)OC(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c1 1887511860 OBKDIEKKKAZYAG-UHFFFAOYSA-N 459.307 3.683 50 10 JHGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 1904653767 PMQPLGPHWLLNGE-NSHDSACASA-N 450.283 3.931 50 10 JHGE O=C(NP(=O)(N1CCCC1)N1CCCC1)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1 2040465096 XGSGLVAEDXYULB-UHFFFAOYSA-N 470.554 3.866 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCCC[C@H](Br)C1 2107490570 VQLRQAMBXINBMV-SJORKVTESA-N 485.444 3.716 50 10 JHGE C[C@@H](Br)c1ccccc1NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108247123 ZDPITNSAEBPCJO-XCLFUZPHSA-N 483.359 3.909 50 10 JHGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1ccc(I)c(O)c1 2196158139 WDCRDDHGTUWSTL-MFKMUULPSA-N 450.114 3.846 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@]2(C[C@H](Br)CO2)C1 2201762458 HFAKAGGWCXQBHE-HZMBPMFUSA-N 470.532 3.713 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@]2(CN(CCCCCI)CCO2)C1 2214704285 BPYUEZLTXJCTSA-GOSISDBHSA-N 452.377 3.694 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](O[C@@H]2CCN(Cc3ccccc3)C2)C1 2242049441 KWBQMJBJVRYWEZ-SQNIBIBYSA-N 472.367 3.700 50 10 JHGE CC(C)(C)OC(=O)NCCC[C@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306146284 MHAILYWHGRAGJZ-FQEVSTJZSA-N 481.681 3.630 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@]1(C)CCN1C(=O)OC(C)(C)C 2325069808 HPEBPKWQUIAHQZ-SFTDATJTSA-N 493.692 3.725 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@H](CCBr)C1 2338859651 HMHWVLFHNYGXKL-MRVPVSSYSA-N 457.992 3.582 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2nc(Br)cs2)C1 2342918633 VBTJYBLEDUUWNQ-MRVPVSSYSA-N 496.084 3.659 50 10 JHGE Clc1ccc(I)cc1CN1C[C@H]2COC[C@]2(CBr)C1 2352431879 MERWWAULXQFYRV-FZMZJTMJSA-N 456.549 3.788 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)CC12CCCC2 2364198464 WQHFREABVIGOTF-QGZVFWFLSA-N 497.455 3.955 50 10 JHGE C[C@]1(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@@H]2Cl 2380919073 RKOQWDTZTWUMPF-VFIVLBOOSA-N 453.004 3.558 50 10 JHGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccc(C)cc3)c2[N+](=O)[O-])cc1Cl 40657499 TYWFPNUWJFOHOP-UHFFFAOYSA-N 458.862 3.864 50 10 JHGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(I)cc1C 217225281 OLTCWRWWCWGZAC-QBFSEMIESA-N 461.259 3.844 50 10 JHGE CC(=O)[C@@H](Br)c1cccc(I)c1I 306915506 UZYZZWGIDVPNOG-MRVPVSSYSA-N 464.866 3.921 50 10 JHGE O=S(=O)(N[C@@H]1COCC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 711031598 DIGPIXMIEKGXJC-OIBJUYFYSA-N 467.994 3.587 50 10 JHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3C)S(C)(=O)=O)c2C)c(C)c1 725433100 JEIJTBHWEXMINK-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE O=C(CCSc1ccc(F)cc1)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727365764 MRDSBWYRQAOKQV-UHFFFAOYSA-N 458.584 3.982 50 10 JHGE O=C(NNc1nc(-c2cccnc2)no1)c1cccnc1Oc1ccc(F)cc1Br 728076803 IZDFLHXWNMYJIG-UHFFFAOYSA-N 471.246 3.977 50 10 JHGE CC(=O)N1CCc2c(NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)cccc21 1296768729 VIDAIBXADVIBIM-HMMYKYKNSA-N 450.502 3.918 50 10 JHGE C#CCCCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 1652536790 YJDMXWZOFVSVOX-UHFFFAOYSA-N 451.324 3.866 50 10 JHGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 1664271415 NLFCWTTUECVNLF-UHFFFAOYSA-N 456.300 3.817 50 10 JHGE C=C(C)[C@@H](NC(=O)NNC(=O)COc1ccc(Br)cc1)c1ccc(F)c(F)c1 1671852318 VYHGWLGAFGJWIU-GOSISDBHSA-N 454.271 3.754 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)/C=C/c3cccc(OCc4ccccc4)c3)c(=O)c2c1C 1860771663 CQIHNEQDEFPVOZ-VAWYXSNFSA-N 488.569 3.515 50 10 JHGE CC(C)(CI)CN=[S@](C)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1904650759 JRAAZDCCDMOQBD-JCQPUDPBSA-N 458.406 3.945 50 10 JHGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1985349697 DLFRMDPKJWTROK-HZPDHXFCSA-N 465.682 3.507 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[C@H]1Br 2076191409 NRQKOAUCXMAJOA-BPLDGKMQSA-N 476.209 3.785 50 10 JHGE COc1cc(Br)c(C(=O)NC(C)(CBr)CBr)cc1OC 2189047865 DBPCEZVBHLJXBX-UHFFFAOYSA-N 473.987 3.745 50 10 JHGE Cc1cccc(C(=O)N[C@H](C)c2nnc(CBr)s2)c1I 2192616291 UMJRRXOMTXMLQK-MRVPVSSYSA-N 466.142 3.837 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1COC2(CCN(CCCCCI)CC2)C1 2214695427 GOCFDFJHEZEABL-OAHLLOKOSA-N 452.377 3.740 50 10 JHGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1 2293198093 KDKNDYORFACIRR-UHFFFAOYSA-N 452.507 3.902 50 10 JHGE C[C@@H](Br)[C@@H]1C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1Br 2310398319 WHOTYKBRDSZUFP-PMVVWTBXSA-N 462.001 3.662 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2330877489 NVQFEJOKBMHTKF-ZXFLCMHBSA-N 474.012 3.755 50 10 JHGE Cc1cc(S(=O)(=O)NCC(F)(F)C(F)(F)CBr)sc1Br 2361678190 XZTYDFJHLFRUNE-UHFFFAOYSA-N 463.110 3.763 50 10 JHGE COc1cc(C=NNC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc(OC)c1OC 8430829 JOHSIMWQSZWYTL-JOCHJYFZSA-N 476.577 3.819 50 10 JHGE biogenic Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1 14654278 AWTPGLGMEKROKE-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c(C)c1 14668610 PJEUBYPRAGCSGQ-UHFFFAOYSA-N 494.411 3.568 50 10 JHGE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c1 21969156 VUEQHWSURVPJTP-QGZVFWFLSA-N 470.595 3.891 50 10 JHGE COCCCNC(=O)/C(C#N)=C\c1c(Oc2cc(C)ccc2C(C)C)nc2ccccn2c1=O 34876231 BXBIXDAUZZINEC-CYVLTUHYSA-N 460.534 3.978 50 10 JHGE O=C(NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657801 SOHIIKBMJBTSLN-UHFFFAOYSA-N 477.868 3.705 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657911 PTJKHLYVPNCLAQ-UHFFFAOYSA-N 465.214 3.926 50 10 JHGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCN(C)CC2)cc1 102616485 SQHNMXXHDOCJJW-PYCFMQQDSA-N 453.546 3.785 50 10 JHGE C/C(N)=C(\C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2 103081686 MNACJILOQWKRJX-JTEVICMQSA-N 467.481 3.932 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC(OCCCl)CC1 129794431 SYGIVCRBSBQQLV-UHFFFAOYSA-N 461.603 3.620 50 10 JHGE O=C(c1ccccc1I)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 709802569 BUGXZVFXYMLLEU-PSASIEDQSA-N 462.047 3.937 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC(=O)OC 1084476529 AZGKQIZRJHVFIJ-HXUWFJFHSA-N 489.366 3.693 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(C#N)c3)cc2)cc1 1858678204 JAJOOIJBPQSLME-UHFFFAOYSA-N 491.554 3.572 50 10 JHGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@H](C)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866617835 MJTUSTBEKKATSU-OAHLLOKOSA-N 464.547 3.659 50 10 JHGE COc1cccc(-c2nc(CC(=O)N[C@@H](C)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866671639 OTEZNWLOFXNNKQ-AWEZNQCLSA-N 450.520 3.918 50 10 JHGE CCOc1cc(/C=N/NC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccccc1 1873496271 KPVXVNPHWILQJY-OGLMXYFKSA-N 470.529 3.984 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2scc(Br)c2Br)C[C@H]1Br 2067189318 QBCFTOYNIKAVHK-SHYZEUOFSA-N 462.001 3.944 50 10 JHGE CN(C(=O)Cc1ccccc1I)C1(CBr)CCSCC1 2171173545 XZYBUEZKQCZNFW-UHFFFAOYSA-N 468.198 3.953 50 10 JHGE BrCc1nnc2n1CCN(Cc1cc(Br)ccc1Br)C2 2175141894 KSPYTILSPMDUGZ-UHFFFAOYSA-N 464.987 3.714 50 10 JHGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)ccn1 2179818098 VIRUDEPPAOEJNC-PKOBYXMFSA-N 453.402 3.981 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2233853903 PCOUZYJUGYARCM-ZWOKBUDYSA-N 497.455 3.668 50 10 JHGE Cn1nc(Br)c(CC(CBr)(CBr)c2cccc(F)c2)n1 2235295810 ZYUBFCGOBCQZDJ-UHFFFAOYSA-N 469.978 3.987 50 10 JHGE Cc1cc(Br)cnc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2257506908 CNHBXPCBNOFUHB-UHFFFAOYSA-N 450.424 3.788 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)C[C@H]2CCCC[C@H]21 2279522574 OKEQMBYPGCJIHB-MBOZVWFJSA-N 497.455 3.811 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H](CCBr)O1 2283665723 WYSRDRXQEXILIL-KOLCDFICSA-N 472.548 3.959 50 10 JHGE COC(=O)COc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OC 2313567561 IFIMKWHPIWHEHH-UHFFFAOYSA-N 459.296 3.864 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 2313892254 HCHNBBIAARCTCA-UHFFFAOYSA-N 488.569 3.687 50 10 JHGE C[C@H](CBr)S(=O)(=O)N(C)Cc1c(Br)cccc1Br 2318205356 HCFDITMSOCBQNB-MRVPVSSYSA-N 464.017 3.757 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@H]2CCC[C@](CBr)(C2)C1 2332619487 NNFAOZXUXWKJQK-TVQRCGJNSA-N 455.159 3.775 50 10 JHGE NNC(=O)C1(CSc2cc(I)ccc2Br)CCCC1 2338332286 DXIPHJLQUOVFQD-UHFFFAOYSA-N 455.159 3.696 50 10 JHGE CC(C)[C@@H](Br)C(C)(C)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2340301820 BPWDRVWELSUAHJ-GOSISDBHSA-N 487.460 3.818 50 10 JHGE COCCO[C@H]1[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Cl 2367611399 OYLDAKCOUOCXEC-HZSPNIEDSA-N 475.548 3.982 50 10 JHGE C[C@H](Cl)c1nc2cc(Br)cnc2n1-c1c(I)cnn1C 2381869765 VTTZBRXWQBWTCX-LURJTMIESA-N 466.508 3.821 50 10 JHGE CC1(C)C[C@H](NC(=O)Nc2[nH]nc3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@](C)(CN=C=O)C1 170290060 NHLWKHFYKYKRSL-NPMXOYFQSA-N 460.579 3.745 50 10 JHGE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)NNC(=O)c2cc(OC)cc(OC)c2)cc1 205964028 GKQZQTSSYQWJAI-JJIBRWJFSA-N 486.528 3.672 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(OC)c2)c(OC)c1 254395698 RXGSLNRBYGNCIZ-KDZOYSRPSA-N 489.528 3.642 50 10 JHGE O=C(OCc1ccccc1)N1CC[C@@H](CI)[C@H](I)C1 307529466 LSGAMPIIHLUEBN-QWHCGFSZSA-N 485.103 3.884 50 10 JHGE C/C(=N\NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408856 FYTYFLBTFKLDEF-ZCTHSVRISA-N 484.556 3.642 50 10 JHGE CCN(CC)C(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 854206744 FXJJCHBHEUPRMK-APVMCDBPSA-N 453.930 3.824 50 10 JHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(SC)cc2)Cc2ccccc2)cc1 1084386126 MVIRPLOGAZRYQX-UHFFFAOYSA-N 483.615 3.758 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2ccc(C(C)(C)C)cc2)cc1 1632536377 QJBZPKZOKSQQOY-QFIPXVFZSA-N 457.596 3.873 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H](Br)[C@H](F)C1 1910196468 BZWVXMDSYYLEBA-VHSXEESVSA-N 476.909 3.611 50 10 JHGE C[C@H]([C@H](Br)c1cc(Br)sc1Br)S(=O)(=O)N(C)C 1941948605 QGOBWUCUDPAPRQ-XRGYYRRGSA-N 470.046 3.989 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC(F)(CBr)C1 2005095265 SFIMGGXMWLVNIL-UHFFFAOYSA-N 476.909 3.613 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@]1(CBr)CO2 2094646969 NLWFJYSIXNTNFB-DGCLKSJQSA-N 453.956 3.590 50 10 JHGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NCC2(CBr)CCCCC2)CC1 2106784012 FINVBEMYJUKBJZ-SANMLTNESA-N 452.459 3.897 50 10 JHGE C[C@@H](CBr)CS(=O)(=O)N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2127137858 VRRDXWZKUSNITP-INIZCTEOSA-N 453.393 3.581 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cc(Br)sn2)C1 2139779504 IZEKUZUGJWDVMI-QMMMGPOBSA-N 496.084 3.659 50 10 JHGE O=S1(=O)CC[C@@H]([C@H](CBr)Cc2ccc(I)c(Cl)c2)C1 2142938726 AYTRKKIYMCESLS-MNOVXSKESA-N 477.589 3.933 50 10 JHGE CN(C[C@@H](Cl)C1CCCCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2167645821 CTHKZLDCGDPGSK-LJQANCHMSA-N 455.020 3.758 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(Br)cc1Br 2178907024 NMAMPPMXDGKCSE-MNOVXSKESA-N 469.015 3.751 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cc(CBr)ccn2)C1 2179817405 PJIJZXREOXAWED-IAGOWNOFSA-N 452.418 3.508 50 10 JHGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CCSSCC1 2179828292 OHBDIFGXRWSVRX-UHFFFAOYSA-N 465.229 3.869 50 10 JHGE CCCn1nc(Br)cc1C[C@H](Br)CN1C(=O)c2ccccc2C1=O 2209404826 ISEGFBMABNBWGX-NSHDSACASA-N 455.150 3.658 50 10 JHGE CCc1nnc(NS(=O)(=O)c2ccc(NC=C(C=O)c3nc4ccccc4o3)cc2)s1 2297452705 SKOVIYWYYHOACX-UHFFFAOYSA-N 455.521 3.694 50 10 JHGE Cc1cc(O)c(C)c(O)c1C=NNC(=O)COc1ccc(Cl)cc1I 2297708154 JSRSWCNFOJDVHJ-UHFFFAOYSA-N 474.682 3.502 50 10 JHGE CNC(=O)C(C#N)=C1S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(OC)cc1 2314593681 RBHMNOWJFLVVBF-GOSISDBHSA-N 461.465 3.886 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCCN(Cc2ccccc2)C1 2321828733 PYLDPELJVCJAFG-QHCPKHFHSA-N 483.700 3.992 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](Br)C(F)(F)CC1 2364021093 YQJMQPOBNZXXJQ-ZCFIWIBFSA-N 479.945 3.580 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)c(Br)c1 10460407 YETGIELCSYZTSA-UHFFFAOYSA-N 498.830 3.698 50 10 JHGE Cc1ccc(C(=O)N/N=C2/C(=O)Nc3cc(Br)c(C)cc32)cc1Br 12488831 AINOPBNXAXMLFY-UHFFFAOYSA-N 451.118 3.915 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2I)cc1 26859338 XXEHXLASGMKRAE-UHFFFAOYSA-N 489.107 3.527 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccccc1Br 40879621 YXVRENNDQHRRQG-MHWRWJLKSA-N 473.323 3.874 50 10 JHGE CCC(CBr)(CBr)NC(=O)c1cc(I)ccc1O 232854833 BZLARXHWUWOSJZ-UHFFFAOYSA-N 490.961 3.665 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@@H]2C[C@@H]3CCCC[C@H]3O2)C1 379163903 YUUNYQKKPGGMSM-RFBLXINOSA-N 451.345 3.774 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(O)cc(O)c2)C1 382692843 ULIPYZOKGRXGAL-YJBOKZPZSA-N 453.276 3.885 50 10 JHGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(-c2ccccc2)s1 744555201 JJWWZNINUJAFOP-UHFFFAOYSA-N 469.588 3.590 50 10 JHGE C[C@@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc21 914763902 AVKJTJXYWGLYTG-LORYXUCWSA-N 450.546 3.938 50 10 JHGE COc1ccc(C(=O)NCCNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 917727188 FZBGMCZBELAYHZ-RCCKNPSSSA-N 460.509 3.695 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)CCc2nc3cc(Br)ccc3s2)c1 1303280098 CRDYDBJNBHDITO-UHFFFAOYSA-N 459.394 3.991 50 10 JHGE C=C(Cl)CSc1nc(C)c(CC(=O)NNC(=O)c2ccc(CN(CC)CC)o2)s1 1625774861 MTALJKHXRRGKNM-UHFFFAOYSA-N 457.021 3.735 50 10 JHGE CCOC(=O)c1cc(I)c(CBr)c(OC(F)(F)F)n1 1848387501 AHHASJMIDKSTCA-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE O=C(/C=C/c1ccc(Cl)cc1Cl)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771197 MQLCUSJSQCCSII-SOFGYWHQSA-N 477.373 3.504 50 10 JHGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(OC)c(OC)c(OC)c1 1865692278 KUVQOABXLCVEES-FQEVSTJZSA-N 462.506 3.823 50 10 JHGE COc1ccccc1-c1ccc(C(=O)NNC(=O)Cc2ccc(Br)cc2)c(C)n1 1865760035 DBASRXVGCOJNQB-UHFFFAOYSA-N 454.324 3.832 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NC[C@H]1C[C@@H](Br)C1 1887787603 MUCNFZGSCJFYSE-WAAGHKOSSA-N 455.972 3.880 50 10 JHGE C[C@@H]([C@@H](Br)c1csc(Br)c1Br)S(=O)(=O)N(C)C 1945186519 IXJDHGQRVQHXBM-CAHLUQPWSA-N 470.046 3.989 50 10 JHGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1cc(Br)c(Br)s1 2039821700 MLLMGBWIFPAVPP-BQBZGAKWSA-N 462.001 3.803 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCN3CCC[C@H]3C2)CC1 2078758944 MMNOIJHFEGFCKH-JKSUJKDBSA-N 464.388 3.835 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)c2cccc(Br)c2Br)C1 2092331195 REBCPWWUGYYJDY-ZDUSSCGKSA-N 455.972 3.838 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2132546162 ZULMVAWYIHAHAB-LYIWLLOFSA-N 474.012 3.755 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(Br)cc1C 2141756675 WFLBQNFHPYKUMK-BXKDBHETSA-N 460.175 3.886 50 10 JHGE Clc1cc(CN2CCN3C[C@H](Br)C[C@@H]3C2)ccc1I 2142949875 NASWXOUWADBOFZ-VXGBXAGGSA-N 455.565 3.598 50 10 JHGE CCCN1CCC[C@@H]([C@@H](Br)c2ccc(I)cc2)S1(=O)=O 2145778342 PFNAGVCXFVBPCU-KBPBESRZSA-N 472.186 3.931 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178090770 IGOOHWOAVGFZMH-AUTRQRHGSA-N 467.983 3.694 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2179833762 WMXIHFLKTWVEFV-RTBURBONSA-N 453.402 3.850 50 10 JHGE NNC(=O)[C@H]1CC[C@@H](COc2c(Br)cc(Br)cc2Br)C1 2181780894 DNOCTGXQEHXQDC-SFYZADRCSA-N 470.987 3.759 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](OCCCCl)C1 2207266349 DGCMVQGIJBTGRK-LLVKDONJSA-N 472.548 3.914 50 10 JHGE COC(=O)[C@@H]1CN(C(=O)COC(=O)C(C#N)=Cc2cc(C)n(CCC(C)C)c2C)c2ccccc2O1 2297431046 FOTQGJLBOWRJBY-DEOSSOPVSA-N 493.560 3.568 50 10 JHGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 2313567278 IAOUENNQRJEAQO-UHFFFAOYSA-N 477.258 3.774 50 10 JHGE CC(C)[C@H](CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821090 BGZAPHMANLOXAS-SFHVURJKSA-N 473.433 3.572 50 10 JHGE CN(CCC[C@@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 2321823003 VRHDUMXXFOKQRT-OAQYLSRUSA-N 495.708 3.973 50 10 JHGE COc1ccc(C=C(C#N)C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 2329610726 CKQCFVLVCPPHNB-SANMLTNESA-N 498.535 3.964 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2cccc3ccccc23)cc1Br 12574187 CPERRJUKIGKXNN-UHFFFAOYSA-N 472.364 3.625 50 10 JHGE CCCCCOc1ccccc1C(=O)NNC(=O)c1ccccc1I 14035744 GUSJNGAYCJUAGS-UHFFFAOYSA-N 452.292 3.935 50 10 JHGE O=C(NC(=S)NNC(=O)c1ccccc1Cl)c1ccc(OCCc2ccccc2)cc1 14041873 PSHBZCIAZYWYLV-UHFFFAOYSA-N 453.951 3.911 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OC(C)C)cc1 14664785 BRQMOWDRSOITIS-UHFFFAOYSA-N 456.568 3.552 50 10 JHGE Cc1c(C(=O)N2CCCC[C@@H]2C)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814527 UUVCYXCFSBKGTP-OEBSBLQASA-N 452.511 3.910 50 10 JHGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3cccc(Cl)c3)c(C)c21 101600932 STFMFWKPZYEJMF-OVVQPSECSA-N 494.935 3.795 50 10 JHGE CO[C@@H]1O[C@@H](CI)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 208788555 BTMDXQFGSXFKDC-ZGXWSNOMSA-N 454.304 3.964 50 10 JHGE Cc1cc(Br)cc(C)c1OCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1O 252642342 ZLEHNVPEJRKECC-UHFFFAOYSA-N 457.328 3.795 50 10 JHGE C[C@@H](Br)[C@@H](C)NC(=O)c1cc(I)ccc1Br 387000059 LWUKFGAOCISZIX-RNFRBKRXSA-N 460.935 3.955 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)cc1 725411673 KJGLRROEWLWATR-KRWDZBQOSA-N 451.317 3.526 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(C(=O)OC)cc2)cc1)S(=O)(=O)c1ccccc1 725433334 XYXHLZIERQBYEA-UHFFFAOYSA-N 477.542 3.618 50 10 JHGE COc1cc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)ccc1O 1084636106 RRNWYNPIBKENCM-GOSISDBHSA-N 465.362 3.651 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC(F)(F)C1 1260508933 YSRDLXINBRRGLM-ZDUSSCGKSA-N 469.348 3.505 50 10 JHGE C/C(=C/C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 1635244769 LLAUBIIHWCMDDI-SYCZXOQXSA-N 455.477 3.903 50 10 JHGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(C)cc4)c(C)c32)cc1 1772745317 XXDCJMVAQBIWRF-UHFFFAOYSA-N 458.518 3.750 50 10 JHGE CC(C)SCc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)o1 1865852471 YDZOFHRKHCNMIP-KGLIPLIRSA-N 488.635 3.840 50 10 JHGE COc1ccc(F)cc1-c1cc(C(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867100408 SJSAFAXXZUIWDC-CYBMUJFWSA-N 453.499 3.565 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)CC1CCCC1 1926748774 LEZCWSYBVLXMGU-KRWDZBQOSA-N 485.444 3.716 50 10 JHGE O=C(NC[C@H](Br)CBr)c1ccc(I)c(Cl)c1 1981566113 RLWOMPVOQCDMDR-SSDOTTSWSA-N 481.353 3.833 50 10 JHGE O=C(NCCCCCNS(=O)(=O)c1ccc(CBr)cc1)OCc1ccccc1 2044262830 UELIPYXWAKHLSG-UHFFFAOYSA-N 469.401 3.957 50 10 JHGE CN([C@@H]1CCCCC[C@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2115919343 SBISECIKIFAVGD-QZTJIDSGSA-N 485.444 3.667 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCC[C@H](OCCBr)C1 2170212764 CMTWNONEMXCYSN-NSHDSACASA-N 472.548 3.961 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)n(C2CC2)c1 2179862250 SZCHBYHPTRXRDB-MRXNPFEDSA-N 452.418 3.613 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185328076 YSGXOEUPFRHQSH-GGZOMVNGSA-N 467.983 3.979 50 10 JHGE O=S(=O)(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1sccc1Br 2192575675 IUSQQVUDNZLHTB-VXNVDRBHSA-N 457.131 3.752 50 10 JHGE CCCN1CC[C@@H]([C@@H](Br)c2ccc(C)c(I)c2)S1(=O)=O 2232825981 JSPIASXCXYCPHJ-KBPBESRZSA-N 472.186 3.850 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1ccc(Cl)c(I)c1 2268350653 JJNVUPZYAULVPQ-VHSXEESVSA-N 458.521 3.617 50 10 JHGE CCCOc1c(OC)cc(C=NNC(=O)c2cc(-c3ccc(F)cc3)nc(O)n2)cc1OC 2323701825 WHEYGKPUCXQTQE-UHFFFAOYSA-N 454.458 3.558 50 10 JHGE CS(=O)(=O)C1CC(CO[C@@H](CI)c2cccc(Br)c2)C1 2380701553 HZPQHMPSMXFEGB-DBRPNBKGSA-N 473.170 3.765 50 10 JHGE COc1cc(C=NNC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)cc(OC)c1OC 1894600 AMCWXXPPCDDXIW-UHFFFAOYSA-N 465.329 3.690 50 10 JHGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C1CCCCC1 14667377 AOKLJDSNNZCBOE-UHFFFAOYSA-N 456.406 3.700 50 10 JHGE COC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 59304871 ICNUACQOIXPSIR-LSHDLFTRSA-N 461.268 3.520 50 10 JHGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C)cc(Br)c1O 100437501 ZEADKUCYDPMNSM-DNTJNYDQSA-N 472.133 3.763 50 10 JHGE CN(C)c1cccc(C(=O)NNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 818027548 BWVSUIOJRYUIDO-CPNJWEJPSA-N 487.951 3.551 50 10 JHGE C=CCOc1ccccc1C=NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 916257195 IFTWPEXLCKWLON-UHFFFAOYSA-N 465.531 3.825 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c(-c2ccccc2)n1 918587544 BXRYOVSYACMNHF-PTGBLXJZSA-N 470.577 3.622 50 10 JHGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)cc1 1084406445 MTNRPAUHQUAOFH-UHFFFAOYSA-N 482.606 3.718 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)COc3c(C)ccc(C)c3C)c(C)n2)cc1OC 1865759034 FKYJIJZEIUOHDP-UHFFFAOYSA-N 463.534 3.839 50 10 JHGE COC[C@](C)(CBr)CNC(=O)c1ccc(I)c(Cl)c1 1926999961 MFVFGLGMQLAJJG-CYBMUJFWSA-N 460.537 3.722 50 10 JHGE Cc1cccc(C(=O)N2C[C@H](Br)[C@@H](Br)C2)c1I 2019466816 VDHOQXIQSQKGDX-UWVGGRQHSA-N 472.946 3.582 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1scc(Br)c1Br 2036673735 QOPSBJDXIXTVEO-NKWVEPMBSA-N 462.001 3.945 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC2(CBr)CCC1CC2 2178888149 RWDAMSHNLLHYMV-UHFFFAOYSA-N 450.114 3.777 50 10 JHGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 2179863066 GRNINJQCIBXCJT-GOSISDBHSA-N 455.393 3.924 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2179869926 DZRKIFIUFDMBQO-HXUWFJFHSA-N 453.402 3.851 50 10 JHGE CO[C@@H]1CN(C(=O)c2csc(Br)c2Br)[C@H](CBr)[C@H]1OC 2233359510 DNPZDGCKPTWTFA-NQMVMOMDSA-N 492.027 3.522 50 10 JHGE C[C@@H](Cl)c1nc2cncc(Br)c2n1-c1cnn(C)c1I 2280050751 LZBYKGDSPGRSGC-ZCFIWIBFSA-N 466.508 3.821 50 10 JHGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(-n2cccc2)cc1 2297635237 VLKSHPAZWFCKBJ-UHFFFAOYSA-N 465.560 3.889 50 10 JHGE N#CC(=C(O)[C@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1)c1nc(=O)c2ccccc2s1 2314479302 MKGCDRKRORXHDE-MRXNPFEDSA-N 451.891 3.934 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1C[C@@H](Cl)C12CCC2 2364205911 OGJGCWMYBMCHEC-VQIMIIECSA-N 453.004 3.560 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)c1ccccc1 2364213630 ICAGGXYELNRGLE-FQEVSTJZSA-N 493.423 3.899 50 10 JHGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 12491993 XBYHGXGYVYSFNI-UHFFFAOYSA-N 496.545 3.768 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc2)c1 13619653 MWKWXENGKCKFCI-XMMPIXPASA-N 473.529 3.880 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 13621172 VLINZBJILKNKQK-LICLKQGHSA-N 475.570 3.866 50 10 JHGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 14034439 IEPWJWLEQBNETR-UHFFFAOYSA-N 494.411 3.589 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)C2CCCCC2)cc1Br 14041450 XWKBBTHPTTVATO-UHFFFAOYSA-N 456.406 3.844 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 38658407 UAAIPLAMJPBNPW-SANMLTNESA-N 488.496 3.915 50 10 JHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-] 40659276 NRBYZCHUUPYMKN-UHFFFAOYSA-N 489.242 3.534 50 10 JHGE COc1cc(C(=O)N/N=C2/C(=O)N(Cc3ccccc3F)c3ccccc32)cc(OC)c1OC 59166098 ZVDSBCDCXBHEBH-HPNDGRJYSA-N 463.465 3.532 50 10 JHGE O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 206610568 MWYQNHQKPSGHLU-ZROIWOOFSA-N 476.514 3.523 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc(OCC)cc2)cc1 206829299 WJBDNZJHXYDQNH-SXGWCWSVSA-N 468.579 3.563 50 10 JHGE CC[C@@H](Br)CNC(=O)c1cc(Br)ccc1I 233817425 RIZTVLXHLZPJTO-SSDOTTSWSA-N 460.935 3.957 50 10 JHGE Cc1ccc(CN(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 252643104 ZSICWDLOXQTADF-UHFFFAOYSA-N 480.546 3.553 50 10 JHGE aggregator CCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 745843551 GNZTVMUKXSJZSI-JCMHNJIXSA-N 471.561 3.698 50 10 JHGE O=C(CSCc1cccc(Br)c1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084218672 ACAFINGDSJDMKA-UHFFFAOYSA-N 493.383 3.577 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 1614701136 HORFXXKKDCFIHA-GXFFZTMASA-N 477.255 3.889 50 10 JHGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1865755781 PXGLDVDCZZBDEZ-UHFFFAOYSA-N 476.920 3.790 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2scc(Br)c2Br)[C@H]1Br 2078742733 BCKCOOVHLHMVIX-IMTBSYHQSA-N 462.001 3.944 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1csc(CBr)c1)C2 2123236672 IXUMWHLXHLIYMB-VQIMIIECSA-N 455.443 3.786 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2179818828 DSVZRLFGOQSIIJ-ROUUACIJSA-N 469.470 3.828 50 10 JHGE COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)cc1CBr 2179860086 MUPCHUKGZNHRMH-QUCCMNQESA-N 454.386 3.958 50 10 JHGE CCN(CC)S(=O)(=O)C[C@H](Br)c1ccc(C)c(I)c1 2224618620 MEIHUAVKFUSBJD-LBPRGKRZSA-N 460.175 3.707 50 10 JHGE CC(C)(C)OC(=O)NC1C[C@@H]2COC[C@H](C1)C2[C@H](CBr)NC(=O)OC(C)(C)C 2241740094 WILUIWXMMSWZPE-LXINESAQSA-N 463.413 3.841 50 10 JHGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1c(F)cccc1I 2267731624 ISHIAHOEKLKDFM-SECBINFHSA-N 464.138 3.538 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2ccc(Cl)c(I)c2)C1 2268342708 TXGSTIOKKAQIDB-UWVGGRQHSA-N 458.521 3.569 50 10 JHGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cncc(CBr)c1 2283113503 HXIDCHCAHRKXHA-LJQANCHMSA-N 452.418 3.652 50 10 JHGE O=C(CCCCCCCC(=O)NN=Cc1nc2ccccc2[nH]1)NN=Cc1nc2ccccc2[nH]1 2296647287 KZEZPOMBNCGWGB-UHFFFAOYSA-N 472.553 3.770 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCCC[C@H]1CBr 2338859049 BETQBIDDPNFGEZ-YUMQZZPRSA-N 457.992 3.629 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCCC[C@H]1CBr 2364196208 XXRWVEKIVLJRBX-ROUUACIJSA-N 499.471 3.964 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(F)c(CCl)cc1F 2368830978 ZDGHMWMYRIGYFK-UHFFFAOYSA-N 456.898 3.768 50 10 JHGE O=C(Oc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)c1ccc(Br)cc1 3658276 QESKHVBDTNYXLJ-RNRKLAHPSA-N 481.302 3.958 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 10506058 CQSSOQKQEWDARX-UHFFFAOYSA-N 491.194 3.779 50 10 JHGE COc1ccc(/C=C/C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 12490620 TUPYSPDUUMUEMH-VMPITWQZSA-N 498.171 3.768 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccccc2I)cc1 13983137 MAKRQVNCYMPIPV-CYBMUJFWSA-N 452.292 3.645 50 10 JHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 14032414 ILIIFWZKXKMSGP-UHFFFAOYSA-N 464.385 3.886 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668156 DIXFOCCPKJVZKF-UHFFFAOYSA-N 476.371 3.935 50 10 JHGE N#C/C(=C\c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 35516571 LZMAQXQPVDIJTQ-MDWZMJQESA-N 462.491 3.570 50 10 JHGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826529 VIJGXXZOAZLTJW-MTDXEUNCSA-N 466.582 3.803 50 10 JHGE C=CCOc1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 101305681 NZQWNESEEQXDNT-VXLYETTFSA-N 458.470 3.781 50 10 JHGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)c2C)cc1 207422118 BFNCULMWGQHWPB-QJUACMODSA-N 474.536 3.609 50 10 JHGE C[C@@H](CCBr)NC(=O)c1cc(Br)ccc1I 235089888 RLPLCAXNOOOGKE-ZETCQYMHSA-N 460.935 3.957 50 10 JHGE C[C@H](CCl)CS(=O)(=O)Nc1ccc(I)c(Br)c1 304208689 RNIVFTZHQWEOPF-SSDOTTSWSA-N 452.539 3.670 50 10 JHGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cn1 382717386 LIEVKSYGOBGJPA-IAGOWNOFSA-N 452.292 3.877 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2ccc(I)c(Cl)c2)C1 388721735 JMDJBKPTDDYVNI-UWVGGRQHSA-N 458.521 3.569 50 10 JHGE O=C(NC[C@@]1(CCl)CCCOC1)c1ccc(I)c(Br)c1 721623361 WGYPBOAJLXYFOJ-AWEZNQCLSA-N 472.548 3.819 50 10 JHGE Cc1cc(C=NNC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(Br)cc1 725404360 KDVCNEBAGFKKDZ-UHFFFAOYSA-N 467.367 3.666 50 10 JHGE C=CC[C@]1(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)CCCN1C(=O)OC(C)(C)C 1124272305 BXSNEMBPRMDGCY-RUZDIDTESA-N 459.587 3.990 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3cc(C)ccc3C)cc2)cc1 1295309457 WUQYLGPTRMJDNA-UHFFFAOYSA-N 451.548 3.741 50 10 JHGE CC(=O)N(c1ccc(NC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1)[C@H]1C[C@H]1C 1662053820 FCZRCPYDCRTTIN-ZHRRBRCNSA-N 452.555 3.977 50 10 JHGE COc1ccc(OC)c(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 1860773067 OOXUFGIFAARNNR-KBKYJPHKSA-N 462.531 3.601 50 10 JHGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865852205 OZDKNOODFGTYOY-YJBOKZPZSA-N 496.633 3.767 50 10 JHGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1C(=O)Nc2c1ccc(Br)c2F 1900275723 DCTACZQEQLIZHF-NXEZZACHSA-N 452.118 3.912 50 10 JHGE C[C@H]1[C@H](Br)CCN1S(=O)(=O)c1cc(Br)ccc1Br 1914423228 IDXSHKNCXWHFQP-IONNQARKSA-N 462.001 3.758 50 10 JHGE Cc1cc(CCl)cc(-n2c(C)nc(I)c2I)n1 1941544598 JNHCTSXCUHTXGP-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE C[C@H](CCCl)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1960067451 CFZILEJVZGHBEO-HXOBKFHXSA-N 480.989 3.860 50 10 JHGE CCOC(=O)[C@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)N/N=C/c1c[nH]c2ccccc12 2059954583 DWIBABBXSRBGGR-CESOHNIPSA-N 486.450 3.701 50 10 JHGE CC[C@H](C)[C@H](CI)NC(=O)Cc1ccccc1I 2081239108 OFPUYASZHFLHNU-GWCFXTLKSA-N 471.120 3.800 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2c(Br)cccc2Br)C1 2094089121 SSIFGNFMSHUYEJ-DTWKUNHWSA-N 455.972 3.836 50 10 JHGE CCOC(=O)C12CC(CI)(C1)O[C@H]2[C@@H]1CCCCN1C(=O)OC(C)(C)C 2105847767 MDMHBSNENHJVKP-IHWOHKJGSA-N 479.355 3.692 50 10 JHGE C[C@H](Br)[C@H]1CN(c2ncc(C(F)(F)F)cc2I)CCO1 2174154882 ZGJRPAHQWVAEMS-OIBJUYFYSA-N 465.051 3.694 50 10 JHGE ClC[C@]12CCCO[C@@H]1CN(c1ncc(I)cc1Br)C2 2230628425 YCZXCIFGOPNASX-YPMHNXCESA-N 457.537 3.673 50 10 JHGE CC1(C)[C@H](CBr)OCCN1C(=O)c1ccc(Cl)c(I)c1 2283663289 MUNBAQFOSFUXOX-LBPRGKRZSA-N 472.548 3.959 50 10 JHGE C=CC[C@@]1(CBr)CCCN1C(=O)c1cc(I)ccc1O 2287795572 ZQMWEYGUECUGRA-HNNXBMFYSA-N 450.114 3.943 50 10 JHGE COCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O 2296719318 BLEUVALZDSFUOR-UHFFFAOYSA-N 452.898 3.508 50 10 JHGE C=CCNC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 2296719365 INTATJBXVRAIQK-UHFFFAOYSA-N 465.307 3.767 50 10 JHGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCCc1ccc(O)cc1 2324494788 JRKYJVICFLNTSZ-UHFFFAOYSA-N 466.585 3.866 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370251166 NTLLYJHMRLNEJF-VXNVDRBHSA-N 457.131 3.990 50 10 JHGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1C(C)C 14034362 XYYRCBIZTVKMEE-UHFFFAOYSA-N 457.596 3.949 50 10 JHGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38688737 ZBAMOKOOHLNHGM-RPBOFIJWSA-N 486.480 3.667 50 10 JHGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 40569388 IYFYHSNFZHPHLO-FXAWDEMLSA-N 470.367 3.960 50 10 JHGE C#CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1Br 59152929 WDYQCNGQMUHOQJ-KEBDBYFISA-N 452.102 3.693 50 10 JHGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2F)C(=O)N1c1ccc(OCC)cc1 101241792 BGJGXFGJKKSIBI-AZJLSSPBSA-N 451.523 3.953 50 10 JHGE CC(C)(C)OC(=O)NNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 616568182 KAFKNLWOGGKNRU-UHFFFAOYSA-N 490.468 3.835 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(-c2ccccc2)n1 914471457 BPXTVGNGLDGNQY-HEHNFIMWSA-N 497.534 3.886 50 10 JHGE N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)NCCc1c[nH]c2ccccc12 1083971302 QRGPRARHBGFENR-CXUHLZMHSA-N 468.307 3.660 50 10 JHGE O=C(NN=Cc1cc(Br)c(N2CCOCC2)o1)Nc1cccc(Br)c1 1084061637 ZWSOBEBYOUAFSZ-UHFFFAOYSA-N 472.137 3.797 50 10 JHGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 1084178047 SIKJBWRTIGTEQE-UHFFFAOYSA-N 479.558 3.574 50 10 JHGE COc1ccc(Br)cc1C=NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 1084214077 FHASVISTYMOWPZ-UHFFFAOYSA-N 455.234 3.977 50 10 JHGE C=CC1(CC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)CN(C(=O)OC(C)(C)C)C1 1618447225 JAJTULJFQCCNTP-UHFFFAOYSA-N 456.568 3.693 50 10 JHGE Cc1cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)no1 1772748336 WITYKKMROWSKRJ-UHFFFAOYSA-N 472.299 3.765 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc(OC)c1O 1865714412 JRCZSBJKALCPLD-NRFANRHFSA-N 467.485 3.875 50 10 JHGE CN(C)CCN(CCBr)C(=O)c1cccc(Br)c1Br 2099355335 KNDBMXXJXFVGSU-UHFFFAOYSA-N 457.004 3.610 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](NS(=O)(=O)c1ccc(CBr)cc1)C2 2162592309 SRFKYQCJXVGQKP-UAGQMJEPSA-N 459.406 3.648 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@H](CBr)OCC12CC2 2183975362 XTNXWTZPBQSLHN-JTQLQIEISA-N 470.532 3.713 50 10 JHGE O=C(N[C@@H](CBr)[C@@H]1CC=CCC1)c1cc(I)ccc1O 2196158069 VNBVSPDSFJCTMA-MFKMUULPSA-N 450.114 3.846 50 10 JHGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 2296722577 STBOPYCXZSRNKY-MRXNPFEDSA-N 485.327 3.996 50 10 JHGE BrC[C@H]1COCCN1Cc1ccc(I)c(Br)c1 2306231594 LDPYNKOVIYOUPD-JTQLQIEISA-N 474.962 3.649 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Br)C12CCC2 2338834706 AGVDRLCJSQTFAU-SFHVURJKSA-N 483.428 3.565 50 10 JHGE COCCO[C@H]1[C@@H](Oc2cc(Br)cc(I)c2)C[C@H]1Cl 2338888129 ZKXAMYSCYUCBOI-FRRDWIJNSA-N 461.521 3.844 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@]1(CBr)C[C@H]2CC[C@H]1C2 2364006594 IDKCGFHIHQJUHV-UVPNAGLESA-N 470.003 3.629 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1ccc(Cl)cc1 12503326 CKFCJRUWMZKQBJ-UHFFFAOYSA-N 492.782 3.970 50 10 JHGE COc1ccccc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642244 XRVAZEJXMIFPAI-UHFFFAOYSA-N 455.308 3.965 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2C)cc1Br 14649169 VTIVCPDBLLIYCZ-UHFFFAOYSA-N 494.411 3.569 50 10 JHGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1O 32519974 PYVBVUJPJDSBCY-AWQFTUOYSA-N 450.314 3.937 50 10 JHGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1 32522869 DSJIXZGUEUZSKS-VULFUBBASA-N 489.557 3.831 50 10 JHGE C/C(=N\NC(=O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 35385879 JPDPLNVWJPSPPV-CIAFOILYSA-N 487.270 3.664 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 59384185 NHICGDKXNAAMND-NUYDQDRBSA-N 464.334 3.845 50 10 JHGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1C 212665605 GZDVKIAUPIQOJT-PJUILTFESA-N 466.607 3.567 50 10 JHGE C[C@@H](CBr)CNC(=O)c1cc(I)ccc1Br 235084721 DTVQRDXOMKZGGO-ZETCQYMHSA-N 460.935 3.815 50 10 JHGE COC(=O)NN=C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C#N)c1ccc(CC#N)cc1 254310752 VYPZXJBFPDJLPG-FQEVSTJZSA-N 462.466 3.789 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 254546485 VBFHOADDCPDOKI-UHFFFAOYSA-N 494.617 3.887 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(O)c(O)c2)C1 394676479 SWBUXRMSTFPAKS-HOTGVXAUSA-N 453.276 3.885 50 10 JHGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1c(C)nn(-c2ccccc2)c1C 746484403 IEQACTFCZNWJDJ-UHFFFAOYSA-N 479.606 3.818 50 10 JHGE C[C@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 1084184796 ICGDIDSIMCTSDO-KRWDZBQOSA-N 478.936 3.685 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cnn(CC)c1 1084299600 CNKPPOLEPJHLJA-HNNXBMFYSA-N 473.006 3.577 50 10 JHGE COc1ccc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1CSc1ccccn1 1084502658 HKWQOZOGUDZBCU-UHFFFAOYSA-N 452.492 3.820 50 10 JHGE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)sc2c1 1866128329 LCPKFGRXMCZZBI-GXDHUFHOSA-N 458.952 3.960 50 10 JHGE CN(C)[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867275004 MNKAJQMMCXICPL-GOTSBHOMSA-N 477.565 3.763 50 10 JHGE O=C(c1cccc(F)c1I)N1CCC(CI)CC1 2037347878 WASOQGAUJOKVIN-UHFFFAOYSA-N 473.067 3.718 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)c1ccc(I)c(Cl)c1 2112712200 BECAFZRSUFYWAV-CYBMUJFWSA-N 458.521 3.571 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[C@@H]1Br 2221685051 ZRZQRMXWZFWDRF-VHDGCEQUSA-N 476.209 3.785 50 10 JHGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296728675 BEOSDPJWSGAXSD-QFIPXVFZSA-N 490.585 3.538 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297500196 QYJUXNJOTZAIDV-UHFFFAOYSA-N 473.514 3.593 50 10 JHGE CC(C)(CI)CN1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 2306819980 ZIURRABKQHCBNQ-UHFFFAOYSA-N 465.401 3.987 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2314793407 RIGZXJVEBUZVBM-UHFFFAOYSA-N 461.301 3.987 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC[C@@H](OCCBr)C1 2340065010 ISKYQAOSCPMYLZ-SNVBAGLBSA-N 458.521 3.571 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC2(CC[C@@H](CBr)O2)C1 2365592982 QRGKIKMBLDRQGW-JTQLQIEISA-N 470.532 3.713 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)C[C@@H]1C(F)(F)F 2377563298 PMVHAOUEBHNBEA-QHSOUUPTSA-N 459.303 3.535 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 38683291 XGLCCXAWBMMJBN-XMMPIXPASA-N 456.454 3.676 50 10 JHGE Cc1nn([C@H]2CCS(=O)(=O)C2)c2ncc(/C=C(/C#N)C(=O)Nc3cccc4ccccc34)cc12 62589988 PGSMKOHLTWJLDS-FJZBCQJGSA-N 471.542 3.798 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCOC[C@H]1CBr 169234224 NCWQZFJSCYDDFO-MRVPVSSYSA-N 467.994 3.540 50 10 JHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccs2)c2cc(C)cc(C)c2)cc1OC 254795936 SZYCISQIUDNQNP-UHFFFAOYSA-N 487.603 3.728 50 10 JHGE CC[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 721581396 XTWCMEKDUWDAMD-MRVPVSSYSA-N 460.935 3.957 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=Cc1cccc(C)c1)S(=O)(=O)c1ccccc1 725389785 WWGPSCMNEZYGHR-UHFFFAOYSA-N 451.548 3.739 50 10 JHGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1OC 1084579775 VRZOBHHQIHXPDG-UHFFFAOYSA-N 496.995 3.964 50 10 JHGE O=C(CSCc1ccccc1)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084641155 DCGXTKBTQFQWAK-UHFFFAOYSA-N 460.515 3.895 50 10 JHGE C#CCCCC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 1558513855 VEMQEBGAXIPNTN-UHFFFAOYSA-N 455.580 3.594 50 10 JHGE COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 1772720628 UNSZMDJKLRHEAR-UHFFFAOYSA-N 494.500 3.713 50 10 JHGE C[Si](C)(C)C#Cc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c1 1887520687 BCSLPRJCOHPVQY-UHFFFAOYSA-N 469.422 3.634 50 10 JHGE CC(C)(CI)CN1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 1904652742 FEKHBARGTQSESK-WDEREUQCSA-N 450.283 3.835 50 10 JHGE O=C(c1csc(I)c1)N1CCC(COCCBr)CC1 2111105503 XYCVAPSUKKYARA-UHFFFAOYSA-N 458.159 3.616 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cc(CBr)cs1)C2 2123228622 DJFJBYCSOPJYGB-HKUYNNGSSA-N 455.443 3.786 50 10 JHGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC[C@@H](CBr)c2ccccc2)CC1 2163059041 PZCAQQSNXPWCMJ-XGCWNURASA-N 460.438 3.731 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2CC[C@H](Cl)C[C@H]2C1 2204093443 JKYYMJGURHFFPZ-BZSNNMDCSA-N 453.004 3.512 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2COC[C@@]2(CBr)C1 2234578436 FXHUBZBUFBAWEW-YMTOWFKASA-N 467.983 3.695 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NCCCI 2246002076 MWZSSAKNMHVMID-UHFFFAOYSA-N 460.935 3.695 50 10 JHGE Cc1c(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc(B(O)O)c1Cl 2257375026 SYMMHDNBDKVSJE-UHFFFAOYSA-N 492.768 3.584 50 10 JHGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cncc(CBr)c1 2283115335 SWLMLZPXXPLVRL-UHFFFAOYSA-N 452.418 3.509 50 10 JHGE COc1ccc2nc(C=NNC(=O)COc3ccc(C(=O)NCc4ccccc4)cc3)ccc2c1 2321698158 SBPKARVRWJHSJV-UHFFFAOYSA-N 468.513 3.703 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCCCC[C@H]1CBr 2338691972 YFEZSKWCLZJZRH-QMMMGPOBSA-N 457.992 3.725 50 10 JHGE C=CC[C@@H](Br)[C@@H]1CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338845972 VWMPPQKZZJSJOR-MOPGFXCFSA-N 483.428 3.587 50 10 JHGE CCN1CC[C@@H]([C@@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2340027973 VBXGQAMYPJQOTK-RYUDHWBXSA-N 478.577 3.805 50 10 JHGE C[C@H]1CCC[C@](CCl)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364216638 PVTUFLFBEAQORU-JTSKRJEESA-N 455.020 3.950 50 10 JHGE CCOC(=O)[C@H]1C[C@H](OCc2cccc(I)c2)[C@H](Br)C1 2367354067 YNRJHMMAANWNBT-BNOWGMLFSA-N 453.114 3.913 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370320722 RBVHXTNTQHANLG-JONQDZQNSA-N 465.369 3.867 50 10 JHGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 12579457 NDCKOUMNRFOLMB-SECBINFHSA-N 462.127 3.993 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NNC(=O)c1ccc(F)cc1 20923034 UKBFWYLHDRMKQR-UHFFFAOYSA-N 490.564 3.922 50 10 JHGE CCOC(=O)c1sc(NC(=O)N/N=C/c2ccc(OCC)c(OC)c2)c(C(=O)OCC)c1C 40840288 QTLFREBSRFQDKG-FSJBWODESA-N 477.539 3.973 50 10 JHGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 59878209 ZAFWRKHVQQCNDL-OAHLLOKOSA-N 473.986 3.784 50 10 JHGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=c3\c(=O)c4cccc5cccc3c54)cc2)cc1 105480728 ZQFPWXBPRSSGGC-FVDSYPCUSA-N 499.548 3.674 50 10 JHGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 217044740 HPEARAJSGJBCII-QYEZBJAJSA-N 465.550 3.800 50 10 JHGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1ccccc1Cl 256028239 ABBATVXJEJFXAD-UHFFFAOYSA-N 477.999 3.994 50 10 JHGE O[C@@H](CCl)COc1c(I)cc(Cl)cc1I 308966605 MTXGSDAGVULCOJ-LURJTMIESA-N 472.875 3.528 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2ccc(Br)cc2Br)C1 382023180 PVEOROFDXASKGB-UWVGGRQHSA-N 455.972 3.836 50 10 JHGE CC(C)[C@H](CI)NC(=O)c1cccc(F)c1I 721758011 ITCSFBSFVMIVMK-JTQLQIEISA-N 461.056 3.620 50 10 JHGE C=CC[C@@]1(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)CCCN1C(=O)OC(C)(C)C 1124272307 BXSNEMBPRMDGCY-VWLOTQADSA-N 459.587 3.990 50 10 JHGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 1672708226 HYNUPIZYOHZGJA-UHFFFAOYSA-N 456.300 3.871 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1860771571 ANHHTYSGKGVPQB-GHMZBOCLSA-N 479.389 3.912 50 10 JHGE CCOc1cccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1O 1860772959 LVWFYQJAHZGXFC-KBKYJPHKSA-N 462.531 3.688 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2ccc(Br)cc2Br)[C@@H]1Br 1911025755 JFTVTFUKZMYQCK-QWRGUYRKSA-N 455.972 3.882 50 10 JHGE C[C@@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@H](CBr)O1 2032953016 AZYCWXUSDCPITA-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE O=S(=O)(c1ccc(Cl)c(Br)c1)N1C[C@H](Br)[C@@H](Br)C1 2075314189 SLXRJINCBUHQLP-IUCAKERBSA-N 482.419 3.634 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCOC[C@@H](CBr)C1 2098208903 VAJUAZPFMLPQHH-VIFPVBQESA-N 455.972 3.695 50 10 JHGE O=S(=O)(NC[C@]1(F)C[C@@H](CBr)C1)c1cc(Cl)c(Br)s1 2112253749 KTXZFENZBZIHKE-XGAOUMNUSA-N 455.596 3.956 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2150957931 IJBHDRAKCQLVNT-SRVKXCTJSA-N 450.114 3.632 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@@H]2CCC[C@H](C1)C2Br 2167782019 UHBGSCLMSHGPDR-XFLKPENQSA-N 450.114 3.632 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H]1[C@@H]2CBr 2277923574 ATPRDDOQLQUZKW-WQAKAFBOSA-N 451.984 3.996 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](Br)C(F)(F)C1 2277923701 FZKDGYMRBMSJQP-JTQLQIEISA-N 461.926 3.995 50 10 JHGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1 2296543502 IJXRIZMWBQFZIU-NRFANRHFSA-N 472.545 3.986 50 10 JHGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296732232 LKINIYIINJWXBB-OAQYLSRUSA-N 492.626 3.862 50 10 JHGE CCOc1ccc(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)cn1 2300626647 MFIMETISPRQOSZ-KRWDZBQOSA-N 450.317 3.715 50 10 JHGE CCCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 2320479848 QMOSMCRKWVWUGO-HNNXBMFYSA-N 468.579 3.531 50 10 JHGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 2325903674 RLTLSEHWKLGBLX-UHFFFAOYSA-N 467.894 3.837 50 10 JHGE C[C@@]1(CBr)CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338843455 TZYSKAGNZNMFDD-NRFANRHFSA-N 485.444 3.670 50 10 JHGE COCCN1C[C@H](Cc2ccc(Cl)cc2I)[C@@H](Br)C1 2341059721 NSWLLROFWINCQV-AAEUAGOBSA-N 458.565 3.829 50 10 JHGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1cc(CBr)ccc1C(F)(F)F 2344024289 OYWZRIHVBUYFHF-UHFFFAOYSA-N 491.285 3.638 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Br)o2)c(Br)c1 12403513 YGMDVCCGGOBQAG-UHFFFAOYSA-N 474.149 3.942 50 10 JHGE COc1ccc(/C(C)=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1 33304381 DXSYNKHELJQLLV-LPYMAVHISA-N 472.299 3.765 50 10 JHGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1OC 33959227 TYNCNKONCCHDHM-AFUMVMLFSA-N 479.445 3.604 50 10 JHGE O=C(NNc1ncnc(N2CCCc3ccccc32)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40647540 BGMWYIIAXWJMQF-UHFFFAOYSA-N 469.845 3.788 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1cc(OC)ccc1OC 59261121 FGZLXPRKJWRWOV-VULFUBBASA-N 480.594 3.644 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101340955 LZUHKBDHUIQKCF-BUVRLJJBSA-N 496.523 3.703 50 10 JHGE COC1=CC(Br)=C/C(=C/NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)C1=O 135968525 APKKVIUWXCQFIY-LGMDPLHJSA-N 482.334 3.757 50 10 JHGE COc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1CN1CCN(c2ccc(F)cc2)CC1 254629339 SJQBZAIRDCLEIE-UHFFFAOYSA-N 491.523 3.829 50 10 JHGE C[C@@H]1CCc2sc(C(=O)NN=Cc3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2C1 254822466 FQAPLBRDORAJLR-GFCCVEGCSA-N 456.553 3.825 50 10 JHGE Cc1ccc(-c2c(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)nnn2-c2nonc2N)cc1 254827037 UUBDLXGTWLGEIB-UHFFFAOYSA-N 494.515 3.551 50 10 JHGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1ccc(Cl)cc1 256028401 JVSKEALRTHSHSU-UHFFFAOYSA-N 463.972 3.604 50 10 JHGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1O 686180619 VCXCEHRPDBBTEJ-YPWHJJHSSA-N 450.114 3.773 50 10 JHGE CO[C@@](C)(CBr)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 705352762 LGHVYMAMPRYSSG-LBPRGKRZSA-N 494.043 3.598 50 10 JHGE Nc1ccc([N+](=O)[O-])cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 725379679 XIVUPEMMZNOLTG-YOEHRIQHSA-N 481.290 3.964 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2nnc(-c3ccccn3)s2)c(-c2ccccc2)n1 918683890 IFGNZHOXXNAUKI-GHRIWEEISA-N 452.503 3.923 50 10 JHGE COc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)c(O)c(OC)c1 1084306631 USAUGWOLEPNRNS-UHFFFAOYSA-N 458.106 3.698 50 10 JHGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 1084331576 GZVQTRUBFWIUKI-UHFFFAOYSA-N 492.307 3.795 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)c1ccc(Br)cc1 1084613232 UKJFDAJAEOKGAB-UHFFFAOYSA-N 487.270 3.832 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C2(CC2)C1 1260514300 OUMXKHYGRQBRDV-INIZCTEOSA-N 459.406 3.649 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852066 OQGAOXYREFRRAX-HOTGVXAUSA-N 482.606 3.640 50 10 JHGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1Br 1984105653 UGNDDFIPNWCTMQ-LBPRGKRZSA-N 465.211 3.547 50 10 JHGE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](CBr)C1)Cc1ccccc1 1984646494 RTQCEQYYTNOBIA-QHCPKHFHSA-N 494.499 3.972 50 10 JHGE BrCCN1CCC[C@H](Nc2ncc(I)cc2Br)C1 2069524946 AXLKFGZWTLWCKI-JTQLQIEISA-N 488.993 3.720 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](OCCBr)C1 2109128664 ROEMITYWYKFPAE-SNVBAGLBSA-N 455.972 3.838 50 10 JHGE COC[C@]1([C@H](Br)c2cc(I)cc3c2OCC3)CCCO1 2146841629 KRWRJBHWXDJVKO-CABCVRRESA-N 453.114 3.858 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2COC[C@@H](C1)C2Br 2167769249 JZHLBHSODGCGQH-HWYHXSKPSA-N 467.983 3.694 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](OCCCl)C1 2170220957 LVGKDFSJZWHCLZ-LLVKDONJSA-N 472.548 3.914 50 10 JHGE N#CC(=CNc1ccc(C(N)=O)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324607193 QEBQUJSJVMBGLC-UHFFFAOYSA-N 465.557 3.539 50 10 JHGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364207053 YDLIJTQFOXRFSN-YAJHFMINSA-N 497.455 3.809 50 10 JHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1Br 10453130 DVCUEYMNLXUGDD-UHFFFAOYSA-N 450.358 3.530 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1C 12501475 MTFUVLWXDBHNSU-UHFFFAOYSA-N 467.378 3.665 50 10 JHGE C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14038056 XQHQBPMJSLLMOH-ZDUSSCGKSA-N 494.342 3.649 50 10 JHGE N#C/C(=C/c1cn(CC(=O)N2CCCCC2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 33345577 JERCFEIVVSACQL-MOSHPQCFSA-N 470.529 3.606 50 10 JHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 40648751 JKJKQLLJYXTVRA-UHFFFAOYSA-N 477.359 3.741 50 10 JHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(O)cc3O)cc2OC)cc1 254349710 MLHLLRNQSJDADF-UHFFFAOYSA-N 464.474 3.878 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1Br 721580781 VMFVNXQUSHMHPT-XVKPBYJWSA-N 472.946 3.909 50 10 JHGE O=C(NN=Cc1ccc(O)cc1O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 1084613985 HTRPMJPXMFVNRX-UHFFFAOYSA-N 454.280 3.877 50 10 JHGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1nc(C2CC2)n(-c2ccccc2)n1 1338287800 BCXKMUJFIXFMSJ-UHFFFAOYSA-N 471.492 3.938 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccccc3F)nc2)cc1 1677097232 FKNCCAZSKHVKKH-OAHLLOKOSA-N 452.442 3.836 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc5ccccc5c4)c(=O)c23)C1 1865851683 GECPEKWECGYPSG-HUUCEWRRSA-N 460.559 3.758 50 10 JHGE COC(=O)Cc1ccc(CBr)c(I)c1I 2055322272 CSKXUFSQXIFDEM-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE CCOC(=O)c1c(I)ccc(I)c1CCl 2055322721 HYNIKZOFUDKREX-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE CC1(C)CN(c2ncc(I)cc2Br)C[C@@H](CBr)O1 2069526406 VNVQNFWWLUNFEL-SECBINFHSA-N 489.977 3.827 50 10 JHGE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 2168224287 MECLUWLIAJJISL-UJKQEGAGSA-N 465.385 3.503 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@@H](CBr)C[C@H]2CCCO2)c1 2240915949 SVGLBFBKLWSXJF-VXGBXAGGSA-N 452.130 3.662 50 10 JHGE C[C@H](Br)CN(C(C)(C)C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2259769274 KIZOBEKQPWEFKI-AWEZNQCLSA-N 473.433 3.523 50 10 JHGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1ccc(Cl)c(I)c1 2283663420 NCBHPOFCWSMBMY-KBPBESRZSA-N 470.532 3.761 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C[C@@H]1[C@@H]2CBr 2311865480 AONOWZJTKUCREE-NYRNMGCKSA-N 484.957 3.909 50 10 JHGE CC(=O)OCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)cc2)C(C)=C(C#N)C1=O 2314619954 HWWRQHNZCILJHL-UHFFFAOYSA-N 462.477 3.950 50 10 JHGE CN([C@@H](CBr)CC1CC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843424 SZIHNNLEZSTFJT-QGZVFWFLSA-N 485.444 3.668 50 10 JHGE CC(C)(C)[C@@H]1[C@@H](Cl)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213618 HYVAXCUSYUQGQS-OALUTQOASA-N 455.020 3.901 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NCc1cccc(CBr)c1 2364228605 OPAZFRBGSIQRPI-UHFFFAOYSA-N 465.971 3.770 50 10 JHGE O=S1(=O)C=C[C@H](N(SSN(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c2ccccc2)C1 2404829 TZZPJCHHSTWZQF-BGYRXZFFSA-N 480.658 3.832 50 10 JHGE COc1ccc(Cl)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc12 9447494 BSCUIEPYPFDNCY-UHFFFAOYSA-N 480.999 3.890 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)OCc1ccccc1 14000992 CAIZORDDLJBLJW-UHFFFAOYSA-N 472.133 3.856 50 10 JHGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1I 14031600 MEJGSKZSERSDCF-CYBMUJFWSA-N 490.297 3.682 50 10 JHGE O=C(N/N=C/c1ccc(O)cc1O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 20438215 HTRPMJPXMFVNRX-FSJBWODESA-N 454.280 3.877 50 10 JHGE CCCN1C(=O)N[C@@H](c2ccc(NC(=O)C(C)(C)CCl)cc2)C(C(=O)OCCOC)=C1C 35710237 VUHWLPQUHMNZFL-IBGZPJMESA-N 465.978 3.830 50 10 JHGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c21 40823595 AQMQNJZOZUYIQG-OVVQPSECSA-N 454.571 3.999 50 10 JHGE CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Br)cc2)cc1 59384230 MQVYJGYBBRQLGJ-DOUQRPAJSA-N 473.396 3.791 50 10 JHGE CCC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(C)cc1 254482691 AOVVDQCDAKXBSU-UHFFFAOYSA-N 476.566 3.686 50 10 JHGE CCc1sc(C=NNC(=O)CCCC(=O)NN=Cc2cc([N+](=O)[O-])c(CC)s2)cc1[N+](=O)[O-] 254838117 IREYRSGIGXGPIO-UHFFFAOYSA-N 494.555 3.522 50 10 JHGE O=C(NN=C1C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1cccs1 254851704 OBMNRPKUTIRSCA-UHFFFAOYSA-N 461.385 3.825 50 10 JHGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)cc(Br)c1O 725445651 XOEDATPOPAIZRD-HNNXBMFYSA-N 456.134 3.881 50 10 JHGE COc1ccccc1OCCN(C)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 918660304 FWXIZPKREFTFKD-FXBPSFAMSA-N 455.518 3.917 50 10 JHGE C=CCn1c(SCC(=O)NNc2ccccc2C(=O)OC)nnc1-c1ccc(Cl)cc1 1295591234 YMKPDBAUSTUVOA-UHFFFAOYSA-N 457.943 3.807 50 10 JHGE CC(C)(C)OC(=O)N(CCC(=O)NCC(=O)Nc1ccc(SC#N)cc1)Cc1cccnc1 1868149935 MJJWGQSPZYGDDW-UHFFFAOYSA-N 469.567 3.537 50 10 JHGE O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915170761 APIAFQIFEUYZNF-GOSISDBHSA-N 452.370 3.822 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Br 1924801477 MPCMDYUTWMWAJN-YJBOKZPZSA-N 497.455 3.572 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1sccc1I 1985350188 MVGMCTWQQSGHKB-UHFFFAOYSA-N 488.438 3.989 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2c(Br)cccc2Br)C1 2094089123 SSIFGNFMSHUYEJ-RKDXNWHRSA-N 455.972 3.836 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cccc(Br)c2Br)C[C@H]1Br 2130816067 DBGIFYLILZHYPI-WHGOUJPWSA-N 455.972 3.882 50 10 JHGE CC1(C)CO[C@H](CCl)CN1C(=O)c1cc(I)ccc1Br 2167525891 BELVNNWQXHCZPU-SNVBAGLBSA-N 472.548 3.912 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178082228 JZJUSRLNAJMUTL-BIMULSAOSA-N 467.983 3.694 50 10 JHGE O=S(=O)(c1cccc(CBr)c1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179810356 BJGJJBLHPKEHKN-UHFFFAOYSA-N 459.356 3.723 50 10 JHGE Cc1cccc(C(=O)N2CCOC[C@@H]2C[C@@H](C)Br)c1I 2185320993 ZRTOSZHUMFVHIR-NEPJUHHUSA-N 452.130 3.614 50 10 JHGE C[C@@H](CO[C@H](CI)c1ccccc1Br)N1CCOCC1 2186733686 QCQXOEXMISXUFG-SWLSCSKDSA-N 454.146 3.663 50 10 JHGE Cc1ccc(C(=O)NCCCCCI)cc1I 2212991416 XHJQTVZDCTYDMP-UHFFFAOYSA-N 457.093 3.935 50 10 JHGE Cc1ccc(C(=O)N2CCOC[C@H]2C[C@H](C)Br)cc1I 2232839043 OTGYMKPGAYIWQF-WCQYABFASA-N 452.130 3.614 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1ccc(Cl)c(I)c1 2283652769 ZLEJZDMHKQTWBD-RYUDHWBXSA-N 470.532 3.759 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295308997 DFTAANFQZVCQST-OLZOCXBDSA-N 469.999 3.765 50 10 JHGE CCOc1cc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OC 2325904222 YTYQJLJQFFLYNH-UHFFFAOYSA-N 476.558 3.991 50 10 JHGE BrC[C@@H]1N(c2ncc(Br)cc2Br)CC12CCOCC2 2352921327 JUDZWWNNTVDOQZ-NSHDSACASA-N 454.988 3.987 50 10 JHGE CC1(C)CC(CCl)(CNS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364202300 QTDVXHVWGOOKMF-UHFFFAOYSA-N 455.020 3.808 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@]2(CCC[C@H]2Br)C1 2364217940 WVCDBJSUNOXHOY-DENIHFKCSA-N 497.455 3.812 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)CC1(CBr)CCOCC1 2364332599 GLFJAIHACRTIAM-UHFFFAOYSA-N 474.035 3.569 50 10 JHGE CC(C)[C@H](Cl)C(C)(C)CN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2365900527 POUKMJGWNXPKNO-SFHVURJKSA-N 457.036 3.860 50 10 JHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 14031887 DEWNKVSKAWNOLR-QGZVFWFLSA-N 465.575 3.978 50 10 JHGE O=C(NNC(=O)c1ccccc1OCCOc1ccccc1)c1ccccc1Br 14040610 FJTWOEUICRLWKL-UHFFFAOYSA-N 455.308 3.982 50 10 JHGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC(C)C 14668616 LRIGMSMHEJGLSZ-UHFFFAOYSA-N 494.411 3.568 50 10 JHGE C/C(=N\NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 20158248 KAURXJTVMNZSIR-PCLIKHOPSA-N 473.518 3.870 50 10 JHGE COc1ccc(N[C@H](C)C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 20311189 LBOYLXWMMVEKHA-KTMXNEEYSA-N 471.149 3.877 50 10 JHGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)NCc1ccco1 34687373 IVXSNVIHTTVZLF-LGMDPLHJSA-N 456.458 3.620 50 10 JHGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)c(Br)c1O 58888473 FSSPCNVMECECOF-GMECJLQCSA-N 486.160 3.890 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(OC)c(OCC#N)cc2Br)cc1 58894227 RXNDYODKRBFYRI-RUDKWAFVSA-N 490.354 3.723 50 10 JHGE C[C@@H](CCBr)CNS(=O)(=O)c1cc(Br)ccc1Br 136702926 BBHLASURZURLGX-QMMMGPOBSA-N 464.017 3.911 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)N[C@H](CI)C(C)C 232722439 LPJMFADBWPHUPE-MRVPVSSYSA-N 452.177 3.557 50 10 JHGE Nc1ccc(O)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382703100 DJJGQLVUVKWDIK-WMLDXEAASA-N 452.292 3.762 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2cc(Br)sc2Br)C1 386517629 NDOGAESQTFVGGR-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)CSCc2ccccc2)c1C 1084127299 ZCISLDSGGRVLHB-UHFFFAOYSA-N 453.524 3.789 50 10 JHGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NCC2(CBr)CCOCC2)C1 1877590690 WQFQJSIEFKRLSM-PEOFPKNDSA-N 453.443 3.579 50 10 JHGE COc1cc(I)c(Cl)cc1C(=O)N(C)C[C@@H]1C[C@H]1Br 1887829280 HWLFJDOYEAFTDB-IONNQARKSA-N 458.521 3.809 50 10 JHGE BrC[C@@H]1CC=CCN1c1ncc(I)cc1Br 1988534348 IWAACAAOCZHVIK-VIFPVBQESA-N 457.935 3.979 50 10 JHGE O=S1(=O)CC[C@H]([C@H](CBr)Cc2ccc(I)c(Cl)c2)C1 2142938727 AYTRKKIYMCESLS-QWRGUYRKSA-N 477.589 3.933 50 10 JHGE O=C(NC1(CBr)CC2(CCC2)C1)c1cc(I)ccc1O 2163542918 VVWAVAAIXFTWNW-UHFFFAOYSA-N 450.114 3.824 50 10 JHGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccn([C@H]2CCCCO2)n1 2174000575 DMYMVVCTPRLIQN-VQIMIIECSA-N 456.406 3.947 50 10 JHGE CC(C)[C@@H]1[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2182715430 LOSDSHGGNIUBJU-IAGOWNOFSA-N 461.422 3.894 50 10 JHGE Cc1ccc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2282687934 MVUIIFQXSFQLDA-UHFFFAOYSA-N 496.504 3.930 50 10 JHGE COc1ccc(C(=O)NC2=NC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)c3ccccc32)cc1 2296532717 OLQRSPNTIPLQKS-KRWDZBQOSA-N 450.498 3.997 50 10 JHGE O=S(=O)(Cc1ncsc1Br)N[C@@H](CCCl)COCc1ccccc1 2303764090 DZUIZRSBPYRHBC-ZDUSSCGKSA-N 453.811 3.539 50 10 JHGE CCOc1cc(C=NNC(=O)c2cccn(C(C)C)c2=O)cc(Br)c1OCC 2323630953 JLOOLHBBYWPJTK-UHFFFAOYSA-N 450.333 3.753 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCC[C@H](CBr)C1 2338862297 WPSZYSPPFXSFIW-JGVFFNPUSA-N 457.992 3.629 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC[C@H]2C[C@H](Br)C2)C[C@@H](P(C)(C)=O)C1 2344197166 NGGZCVWYYNFDJQ-ZQDZILKHSA-N 451.342 3.524 50 10 JHGE COc1ccc(-n2c(SCC(=O)/C(C#N)=C(\C)N)nc3sc4c(c3c2=O)CCCS4)cc1 9378205 RXGSWWDCEKIKCV-FOWTUZBSSA-N 484.628 3.912 50 10 JHGE COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1OC 12493379 LPJJCRXEOLEIEP-XYOKQWHBSA-N 485.334 3.859 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(OCC)cc2)cc1 13621181 WJBDNZJHXYDQNH-CXUHLZMHSA-N 468.579 3.563 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38653498 ZSJYOXMNVSJYFM-HSZRJFAPSA-N 461.405 3.936 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1Br 235313746 OUHNEFHYIZUVKJ-SCZZXKLOSA-N 455.972 3.836 50 10 JHGE O=C(NN=Cc1cccc2c1OCCO2)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 254440030 BSQXHZRBQXCFSO-AREMUKBSSA-N 473.554 3.996 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 725398861 OLXPBFGQBNISOY-RYUDHWBXSA-N 477.255 3.889 50 10 JHGE O=S(=O)(C[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1 731339734 BYIZPODXURXUDH-SFHVURJKSA-N 458.001 3.612 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)n1C[C@H]1CCCO1 743662804 AQAAZHJZUFKYPW-FVIVVMBBSA-N 497.617 3.971 50 10 JHGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084518514 GZQDBGLSKFALLS-UHFFFAOYSA-N 477.481 3.751 50 10 JHGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C1(c2ccc(Br)cc2)CCCC1 1087873386 IKZGPEJQXLWSGZ-UHFFFAOYSA-N 499.453 3.621 50 10 JHGE CC(=O)c1cc(C(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)c(C)nc1C 1628000971 NPLPGEFLRYENRW-UHFFFAOYSA-N 455.518 3.974 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748076 NHXFNKLHQNEINZ-UHFFFAOYSA-N 481.512 3.681 50 10 JHGE O=C(NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)OCc1ccccc1 1859008040 AASUHFRLWTYWQM-UHFFFAOYSA-N 499.501 3.541 50 10 JHGE C[C@@H](C(=O)NNC(=O)C(c1ccccc1)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771852 JOLGEUWQXZSCFK-KRWDZBQOSA-N 486.597 3.877 50 10 JHGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2 1865709198 QXURFBLAONQEIM-GOSISDBHSA-N 451.280 3.860 50 10 JHGE O=C(N[C@H]1C[C@H](CBr)C1)c1ccc(I)c(Br)c1 1942440115 WHPBJAVIVLCUQZ-XWEPSHTISA-N 472.946 3.957 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CN(Cc2ccccc2)[C@]2(CCOC2)C1 2010824876 BMTOIHDZPOPYIW-NFBKMPQASA-N 467.701 3.916 50 10 JHGE COC(=O)Cc1cc(I)cc(I)c1CBr 2055331700 RCWLQDOPINDOBH-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE Brc1ccc(Br)c(CN2CCN3C[C@@H](Br)C[C@H]3C2)c1 2118520698 XGGDZUUMMDLMFE-STQMWFEESA-N 453.016 3.865 50 10 JHGE O=C(NC[C@@H](Br)CC(F)(F)F)c1ccc(F)cc1I 2119066236 PTZJMCUIZUCNAI-LURJTMIESA-N 453.999 3.876 50 10 JHGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2123241652 MHFPDFLEDLZAQL-LJQANCHMSA-N 455.443 3.930 50 10 JHGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2132361600 BGXRCBWCRCTGAU-AEFFLSMTSA-N 455.443 3.846 50 10 JHGE CN1CCN(C(=O)c2scc(Br)c2Br)[C@H](CCBr)C1 2138081481 IGQAWZQAIGZGFJ-MRVPVSSYSA-N 475.044 3.814 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CCCl)C1CCCCC1 2145919892 HXMCUFJXUNIHQY-HXUWFJFHSA-N 455.020 3.950 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Cl)C[C@H]21 2167010258 JPKLNMLNCZNTAJ-MBOZVWFJSA-N 453.004 3.655 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@@H]2[C@@H](C1)C2(F)F 2179784870 FJJXZMXFKIBXIF-HTQZYQBOSA-N 451.152 3.681 50 10 JHGE O=S(=O)(C1CC(CBr)C1)N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2179946692 IWCKCANSMNLQQB-UHFFFAOYSA-N 465.404 3.723 50 10 JHGE O=S(=O)(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)c1cscc1Br 2192575632 IKDGSKWJYFKZOX-IUCAKERBSA-N 457.131 3.752 50 10 JHGE N#CC(C(=O)NC1CCCCC1)=C1N=C(NC(=O)c2ccc(Br)o2)c2ccccc21 2296179699 SEHUDUHNLHNXDU-UHFFFAOYSA-N 467.323 3.916 50 10 JHGE CCCN(CCOCCI)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2306800937 BDIFJXXYTJTGTR-INIZCTEOSA-N 454.393 3.797 50 10 JHGE CC(C)(CI)CN1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2306819814 XVMWYEMPIXGUDL-DTWKUNHWSA-N 460.200 3.521 50 10 JHGE CCOc1ccc(Br)cc1C=CC(=O)Oc1ccc(C=C(C#N)C(N)=O)cc1OC 2314748810 UPBRBFHOSFAXDI-UHFFFAOYSA-N 471.307 3.867 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364149105 PBZAWUQFVHHFPR-NXEZZACHSA-N 450.114 3.632 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H](CCCCl)C1 2364198574 XXQVGUQPVOYQEC-GOSISDBHSA-N 455.020 3.904 50 10 JHGE CN([C@H](CCCl)C(F)(F)F)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214035 KILZUBNTEJBIFR-MRXNPFEDSA-N 468.925 3.664 50 10 JHGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1ccc(Cl)cc1I 2365587485 XZXHGBHSNSUXRE-GXSJLCMTSA-N 472.548 3.865 50 10 JHGE Cc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 12403536 NKPXBIJEUCANBD-UHFFFAOYSA-N 478.412 3.770 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1 12503511 SNEYFGHLESFQJN-XNTDXEJSSA-N 490.585 3.693 50 10 JHGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Cl)cc1 14643066 UTNCDTHBZXUWCN-ZDUSSCGKSA-N 455.736 3.713 50 10 JHGE C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cccc(OCc2cscn2)c1 16204520 MNMJSIDVYKYGCD-ZDUSSCGKSA-N 476.352 3.713 50 10 JHGE O=C(/C=C(/O)c1ccccc1)C(=O)NNC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 18142066 OZPOUBRJKWOPTO-XSFVSMFZSA-N 485.323 3.545 50 10 JHGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N(CC#N)CC#N)c(C)c43)coc2c1 40826939 YVZGLSUNFGUIET-VUTHCHCSSA-N 471.517 3.840 50 10 JHGE O=C(Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1)c1cccc(Br)c1 48572266 CLKSMWUXIPZAAE-FSJBWODESA-N 455.264 3.843 50 10 JHGE COc1ccc(C[C@H](Br)c2cnn(C)c2I)cc1OC 381642567 PFLGEPOIYAXWKV-NSHDSACASA-N 451.102 3.721 50 10 JHGE CCOC(=O)COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)c1 914741606 CRPWWWRHCOMIJF-SNXNUMJZSA-N 451.523 3.772 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)CSc3ccccc3)c3ccccc32)cc1 1083983350 MAWKCCPLFBJNGL-UHFFFAOYSA-N 458.543 3.593 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CSC2(C1)CN(C(=O)OC(C)(C)C)C2 1254690547 JOBXWSAMZLXNDN-OAHLLOKOSA-N 479.734 3.977 50 10 JHGE C#CCN1CCC[C@@H](NC(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 1255362407 DSYGAKAUVAULOG-HXUWFJFHSA-N 456.999 3.674 50 10 JHGE CN(C)c1ccc(CCNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 1318157234 UITXWFNNHCHHMD-UHFFFAOYSA-N 450.514 3.657 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)CSc2nccn2-c2cccc(Cl)c2C)c1 1651317258 DVLBVOAGRFRKIW-UHFFFAOYSA-N 455.996 3.925 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)NC3CCCCC3)cc2)cc1 1858668336 ABQRAQDVAVPWCH-UHFFFAOYSA-N 487.607 3.902 50 10 JHGE O=C(NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1)Nc1ccccc1 1858955944 ZXFJDDHXXSBNTL-UHFFFAOYSA-N 488.453 3.533 50 10 JHGE CSCC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866614285 DMWZUDYPHNWMGI-HXUWFJFHSA-N 468.604 3.877 50 10 JHGE CCC[C@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866883767 GMXBZUFXBLCKQR-SFHVURJKSA-N 465.984 3.610 50 10 JHGE O=C(NC[C@@H]1C[C@H]1Br)c1ccc(Br)cc1I 1898111867 JUYSEYCCTPJIFA-IMTBSYHQSA-N 458.919 3.567 50 10 JHGE CCN(Cc1ccc(NS(=O)(=O)CI)cc1)C(=O)OC(C)(C)C 1983327644 OOVIFDCJTHIMSL-UHFFFAOYSA-N 454.330 3.578 50 10 JHGE COC(=O)c1cc(CBr)cc(I)c1I 2055328364 JAWQZDLZWPQAQQ-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE C[C@H](Br)CN1CCN(C(=O)c2ccc(Br)cc2Br)CC1 2170215423 FXOKJFZTCXMELR-JTQLQIEISA-N 469.015 3.753 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NC1CC(Br)C1 2221691290 ZCTDOIIMONDRSA-YMAMQOFZSA-N 476.209 3.927 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C[C@H]2CCCC[C@H]21 2279520575 IEEFRVZLJZUYFH-GPMSIDNRSA-N 497.455 3.667 50 10 JHGE COc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 2296854985 KCWHYTHHFXERNI-UHFFFAOYSA-N 462.502 3.556 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccc(F)cc1 2297551837 OPGKLOXUPXVBMR-UHFFFAOYSA-N 495.532 3.996 50 10 JHGE Cc1c(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)nn1C 2303541171 VCXCLAKNLDRJFH-CQSZACIVSA-N 459.182 3.591 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@H]2O[C@H]3CC[C@H]2C3)CC1 2307433747 DWACIFGUMOAVHY-SOUVJXGZSA-N 451.345 3.775 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1OC 2313752841 MWJJWVZXFSTIML-UHFFFAOYSA-N 491.569 3.632 50 10 JHGE C[C@@H](NC(=O)C(C#N)=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCCC2 2325118826 USVBCJDNUGHBKA-HXUWFJFHSA-N 472.589 3.697 50 10 JHGE Brc1cc(CN2C[C@H](Br)[C@H]3COC[C@H]32)ccc1I 2325227017 WAVNMICXLRDGRT-SUZMYJTESA-N 486.973 3.648 50 10 JHGE Clc1ccc(I)cc1CN1CCN2C[C@H](Br)C[C@@H]2C1 2352417966 PJEOWLUGAPHESJ-DGCLKSJQSA-N 455.565 3.598 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](C2CCC(Br)CC2)C1 2381277528 AUOGGXJBOIVDGD-LXPRWKDFSA-N 497.455 3.668 50 10 JHGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccccc1 9231594 NMUWRJFKYUGHAJ-UHFFFAOYSA-N 462.344 3.518 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 12578221 GSKMMJRBRMJNST-AWEZNQCLSA-N 452.338 3.944 50 10 JHGE CCOc1ccc(C(=O)NN/C=C2\C(=O)N(c3ccc(Cl)cn3)C(=O)c3ccccc32)cc1OC 38183680 WSAWNZUHRHDSLD-RGEXLXHISA-N 492.919 3.605 50 10 JHGE O=C(COc1ccccc1)NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-] 40659480 DZPXUPXYDFQKDF-UHFFFAOYSA-N 477.250 3.552 50 10 JHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)CC1 40825695 SGYWDIYVFPHCEK-ZTKZIYFRSA-N 488.544 3.632 50 10 JHGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 58889704 FHHHMEUFCBBYCG-VPZZRGLESA-N 462.502 3.936 50 10 JHGE O=C(NN=Cc1cc(Br)cc(C=NNC(=O)c2ccccc2)c1O)c1ccccc1 252591871 BCKFZDDTWWBNEU-UHFFFAOYSA-N 465.307 3.683 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCSC[C@H]1CBr 387880936 MISOIBNRKXADCD-SECBINFHSA-N 460.562 3.897 50 10 JHGE CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2cccc3cccnc23)(c2ccccc2)CC1 727153171 FTZYRRFPGDYSFF-UHFFFAOYSA-N 474.561 3.965 50 10 JHGE CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)cc2)cc1 934063257 DICLKDOGGPWCPL-OFNKIYASSA-N 473.620 3.540 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 1083973796 FRLZCEPLIMBGJX-UHFFFAOYSA-N 471.966 3.835 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 1614633297 JHDPTBWTLUIRTC-RISCZKNCSA-N 477.255 3.889 50 10 JHGE N#CSc1ccc(NS(=O)(=O)c2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)cc1 1859467428 YKEGITGVXAAVDQ-UHFFFAOYSA-N 463.540 3.899 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860771010 GIBNQXMXPFRIQF-UHFFFAOYSA-N 460.559 3.604 50 10 JHGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715034 UCMSXGSQHQKVTE-FQEVSTJZSA-N 450.470 3.574 50 10 JHGE COc1ccccc1-c1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)c(C)n1 1865764249 HEWFKXUIZOHMOA-HVAQTUQNSA-N 458.518 3.963 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(Br)ccc2Br)[C@H]1Br 1911026551 NUGMBUXXGAQSAV-WDEREUQCSA-N 455.972 3.882 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H](F)[C@H](Br)C1 2020426874 BZWVXMDSYYLEBA-ZJUUUORDSA-N 476.909 3.611 50 10 JHGE C[C@H]([C@@H](Br)c1ccc(Br)cc1Br)S(=O)(=O)N(C)C 2029073680 GECMJLQDUIAPSW-RDDDGLTNSA-N 464.017 3.928 50 10 JHGE CN(C1CCC(CBr)CC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2114662130 YHASNAZKIXOMNH-UHFFFAOYSA-N 485.444 3.524 50 10 JHGE CCN1CCC[C@H]([C@@H](Br)c2cccc(C)c2I)S1(=O)=O 2145762364 UBGXEOUQLKXLPV-OLZOCXBDSA-N 472.186 3.850 50 10 JHGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(I)c(Cl)c1 2185318359 KLWWGORELQPKKS-MWLCHTKSSA-N 472.548 3.959 50 10 JHGE O=C(N[C@@]12CC[C@@](CCl)(C1)OC2)c1cc(Br)ccc1I 2190181847 OVQOIGICMKAYGW-KBPBESRZSA-N 470.532 3.714 50 10 JHGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2256606526 UCYSRCVPISMXPH-DEOSSOPVSA-N 492.768 3.522 50 10 JHGE Cc1ccc(C(=O)N2CCOC(C)(C)[C@H]2CBr)cc1I 2282889194 SLOGCQNEFPARRH-CYBMUJFWSA-N 452.130 3.614 50 10 JHGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cncc(CBr)c1 2283300229 PQRAAQOJYCHLAC-GOSISDBHSA-N 452.418 3.650 50 10 JHGE COc1cccc(C(=O)N/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccccc2)c1 3028099 RAJJYBOOYNQNRN-WCTVFOPTSA-N 457.486 3.626 50 10 JHGE biogenic COc1ccc2nc(N(/N=C/c3ccco3)C(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 9629129 ANYJTHOPJSUVAU-WYMPLXKRSA-N 460.471 3.561 50 10 JHGE Cn1cc(C(=O)NNC(=O)CCCCCn2c(=S)[nH]c3ccccc3c2=O)c2ccccc21 10736940 GRSXTZPFIGYYDJ-UHFFFAOYSA-N 463.563 3.572 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccccc2Br)c1 12500926 KBSMFZGLKSFSAU-UHFFFAOYSA-N 464.385 3.595 50 10 JHGE N#C/C(C(=O)N1CCOCC1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 13122650 XNJOOTSUTMAJAO-KNOQIOAQSA-N 453.951 3.625 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)c(Br)c1 13979776 LCOGDJUMYKYESG-UHFFFAOYSA-N 469.763 3.887 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 14021510 FMMUNGMYFULLDP-CYBMUJFWSA-N 469.321 3.554 50 10 JHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)c1 14041961 PJEWWILIYBHHQJ-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 14661449 WKRSACAAIJAAIK-UHFFFAOYSA-N 462.127 3.856 50 10 JHGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 34917395 FPMBWFKLBWTMGK-NVNXTCNLSA-N 488.569 3.605 50 10 JHGE C=CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2 39919105 VPJINFLHRNEHAZ-MHZLTWQESA-N 484.943 3.915 50 10 JHGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccco2)cc1 102847594 JGTPNTDRMAPAPH-LGMDPLHJSA-N 456.458 3.620 50 10 JHGE O=C1C(=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2N1Cc1ccccc1 254703409 UKXMRPVUCIHVPA-UHFFFAOYSA-N 461.521 3.990 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CCCCC1 703967930 UGRPYYAREFBBAX-UHFFFAOYSA-N 485.444 3.574 50 10 JHGE CN(CCCBr)C(=O)c1ccc(I)c(Br)c1 721573278 QNIQKPYPFFKIBS-UHFFFAOYSA-N 460.935 3.911 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)c(-c2ccccc2)n1 748256284 HOYJLOMOPFCDNF-DEDYPNTBSA-N 470.508 3.985 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c(-c2ccccc2)n1 914467774 HTXPXSMQUGNVRD-HKWRFOASSA-N 450.502 3.902 50 10 JHGE Nc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1[N+](=O)[O-] 1614629419 IXJSSQFBTANXQE-HOTGVXAUSA-N 481.290 3.964 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860770177 WTFHKSYGUNKHSM-UHFFFAOYSA-N 474.586 3.912 50 10 JHGE COc1ccc2c(c1)c(/C=N\NC(=O)Cn1cnc3sc(-c4ccccc4)cc3c1=O)cn2C 1860772836 ISSQSHFYJMSMDY-PPDIBHTLSA-N 471.542 3.776 50 10 JHGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc3c(cc2Br)OCCO3)cc1 1866213887 IPEYZGRVKUGURT-XNTDXEJSSA-N 459.296 3.791 50 10 JHGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H](Br)C1 1893144376 PEJLUHTVEOQLBA-DDBAPUKQSA-N 455.393 3.775 50 10 JHGE CC(C)(C)OC(=O)NC1(CC(=O)NC2CC(Br)C2)CCN(Cc2ccccc2)CC1 1986071254 SMSTYNSZAIQFFQ-UHFFFAOYSA-N 480.447 3.978 50 10 JHGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1csc(Br)c1Br 2039821161 IDZXONJZWCBOCR-RQJHMYQMSA-N 462.001 3.803 50 10 JHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1c(Br)cccc1Br 2097943583 XVUITRYZAZZLSC-BDAKNGLRSA-N 455.972 3.884 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC(C)(CBr)C2)cc1Br 2101060036 ZZPDYPHLSBVGCR-UHFFFAOYSA-N 476.028 3.926 50 10 JHGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NCC2(CBr)CCOCC2)C1 2115611283 UFJMYFCLVFTNAQ-JZOGHIHUSA-N 453.443 3.579 50 10 JHGE C[P@]1(=O)C[C@@H](Cl)[C@@H](NC(=O)c2ccc(I)c(Br)c2)C1 2121335664 BFTUMROZDSICPY-OKAXRFMISA-N 476.476 3.766 50 10 JHGE COC[C@@]1([C@@H](Br)c2cc(I)cc3c2OCC3)CCCO1 2146841632 KRWRJBHWXDJVKO-LSDHHAIUSA-N 453.114 3.858 50 10 JHGE CC[C@@H](C)[C@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827843 VOPZCUVPIRBFMR-CRAIPNDOSA-N 473.433 3.572 50 10 JHGE CC[C@H]1[C@@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338839376 AREZTOMNYRIUOC-APWZRJJASA-N 485.444 3.668 50 10 JHGE C[C@H]1C[C@@H](CBr)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338842902 NSXUOXMFJUBKRG-IRXDYDNUSA-N 485.444 3.526 50 10 JHGE COCCN1C[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Cl)C1 2349839143 ZDLQEJQLBKAIPE-AAEUAGOBSA-N 458.565 3.782 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CCC(Br)CC2)C1 2364190283 LENYDDRNTSIXSI-UHFFFAOYSA-N 497.455 3.812 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC(C)(C)CC[C@@H]1CBr 2364230399 MASPUODAOOYXID-MRVPVSSYSA-N 472.019 3.971 50 10 JHGE O=C(CNc1c(Br)cc(Br)cc1Br)NN=Cc1ccncc1 20074205 OXBPZVAMEBKTNX-UHFFFAOYSA-N 490.981 3.931 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cc(Cl)ccc1O 58990228 QVERHYNDMPXTOM-ZVHZXABRSA-N 455.971 3.851 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)c1cccc(Br)c1 59165532 AMUXAWYNGJQXPP-UFFVCSGVSA-N 487.270 3.832 50 10 JHGE CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Br)cc2)cc1 59385515 BDSKIUJSUSDGNJ-AOOMUMSASA-N 457.328 3.626 50 10 JHGE COc1ccc(/C=C(C#N)\C(O)=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 103445349 IOKDLOXZSHOAAV-YLOFGMNHSA-N 454.490 3.512 50 10 JHGE O=S1(=O)CC(COc2c(Br)cc(Br)cc2CBr)C1 722768805 ONQHHAOLLWYRGB-UHFFFAOYSA-N 462.985 3.530 50 10 JHGE CCCCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 832926893 HJHHOKDTXWJFIU-POEBIKTISA-N 457.571 3.956 50 10 JHGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 1084322872 WDMQRZODDLIDQC-UHFFFAOYSA-N 497.548 3.641 50 10 JHGE COc1cc(/C=C\C(=O)NN)cc(Br)c1OCc1cccc(Br)c1 1084356883 PIOYZTOXDHLMPT-WAYWQWQTSA-N 456.134 3.802 50 10 JHGE C/C(=C\c1ccc(Br)o1)C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 1295317557 MOUZLPIOSOFPJO-VAWYXSNFSA-N 456.362 3.666 50 10 JHGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1 1438016952 QNNXWIYOEHIZHZ-ZMUHTPIZSA-N 455.356 3.501 50 10 JHGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNc2ccccc2Cc2ccccc2)CC1 1563864117 QCERSBVYKHXHCS-UHFFFAOYSA-N 457.578 3.772 50 10 JHGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709451 CCQNNFPCFNFLMO-NRFANRHFSA-N 459.462 3.641 50 10 JHGE C[C@H]1CN(S(=O)(=O)CCC(CCl)CCl)C[C@H](C)N1C(=O)OCc1ccccc1 2044692258 YPCSZGYBQDXLIH-HOTGVXAUSA-N 451.416 3.532 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@H]1[C@H]2CBr 2086147489 NSMJPLWOAPCWTA-VHRDEZTHSA-N 484.957 3.909 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCC[C@@H](CBr)C1 2089707910 UCFHDKGKQIMGGZ-SJORKVTESA-N 485.444 3.574 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2c(Br)cccc2Br)C[C@H]1Br 2130816852 HXNCFDJWFLORMW-AVPPRXQKSA-N 455.972 3.882 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NS(=O)(=O)c2ccc(CBr)cc2)C1 2162598555 BCXNZXPQCOJPBG-KXBFYZLASA-N 459.406 3.649 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@H]2CC[C@H]21 2177709198 FPXRPDSPKHHSBM-IXDOHACOSA-N 459.406 3.648 50 10 JHGE O=S(=O)(c1ccc(F)c(CBr)c1F)N1CCCN(Cc2ccccc2)CC1 2179859546 FTTPMXLCZOHGIK-UHFFFAOYSA-N 459.356 3.756 50 10 JHGE Cc1ccc(C(=O)N2C[C@@H](Br)[C@H](Br)C2)cc1I 2212991837 DEAVKKFNSQZZAT-NXEZZACHSA-N 472.946 3.582 50 10 JHGE CCn1c(SCC(=O)NN=CC=Cc2ccccc2[N+](=O)[O-])nnc1-c1ccc(OC)c(OC)c1 2295993302 HBALBKBPVPSALT-UHFFFAOYSA-N 496.549 3.798 50 10 JHGE Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-] 2314753318 ZOWWBRRXTJPDQJ-UHFFFAOYSA-N 476.401 3.847 50 10 JHGE CCCOc1ccc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OCC 2328796533 SVTZDJQGJDWGTI-KRWDZBQOSA-N 453.605 3.971 50 10 JHGE NNC(=O)c1occc1CSc1cc(I)ccc1Br 2338338680 CYSLSDXNYCKFLS-UHFFFAOYSA-N 453.099 3.543 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CBr 2358967213 NZELOHBMMWHXJG-QKLQHJQFSA-N 497.455 3.811 50 10 JHGE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NS(=O)(=O)c2ccc(CBr)cc2)C1 2361527640 OHDCNNXFHGFDRC-INIZCTEOSA-N 469.348 3.505 50 10 JHGE CC1CCC([C@H](CBr)NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2379736269 JHOIJKPUTKBKBF-RJYAGPCLSA-N 499.471 3.818 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1Br 14031649 ITRXLFBVMASLFI-HNNXBMFYSA-N 457.324 3.904 50 10 JHGE Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)C(C)(C)CCl)CC1 34787722 ZXNCOCAVIICVKW-QHCPKHFHSA-N 474.070 3.940 50 10 JHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/C(C)C 59261383 PSRHCNQRSUZZJA-UFFVCSGVSA-N 498.394 3.531 50 10 JHGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 252623050 OIWMBRACPCSIJB-UHFFFAOYSA-N 462.458 3.562 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CCSC[C@H]2CCl)cc1Br 387595446 PRKVKTDEJRINPL-SECBINFHSA-N 463.644 3.865 50 10 JHGE Cc1c(C=NNC(=O)CN2CCOCC2)c2ccccc2n1Cc1ccc(Br)cc1 1084487150 VCUCFOGOYIUVPL-UHFFFAOYSA-N 469.383 3.543 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 1637299149 LHDGCNQFFKCUSW-FQEVSTJZSA-N 452.580 3.512 50 10 JHGE COC(=O)c1[nH]c2ccc(F)cc2c1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1873793463 LXNJXWSGALDREA-SODVTCOWSA-N 482.512 3.680 50 10 JHGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@@H](Br)C1 1893137162 PEJLUHTVEOQLBA-OWLYRPNTSA-N 455.393 3.775 50 10 JHGE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c(Br)n1C 1915168933 CCKWRILMYPSINP-OAHLLOKOSA-N 491.249 3.855 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2023474371 PIMFTHKOCLOUEK-IIBYNOLFSA-N 477.693 3.651 50 10 JHGE C[C@@H](CCCCCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2054169961 INJVBLQKGZKTLB-HNNXBMFYSA-N 473.433 3.572 50 10 JHGE O=S(=O)(C[C@@H](Cl)c1cc(I)ccc1Br)N1CCCC1 2089394145 RYUMHKYXLBPGTH-GFCCVEGCSA-N 478.577 3.759 50 10 JHGE O=S(=O)(c1cnn(CCCBr)c1)N(CCC(F)(F)F)Cc1ccccc1 2123200849 NUZJOYADMWLSOQ-UHFFFAOYSA-N 454.312 3.811 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC=C[C@H]1CBr 2125952179 VGSAJCGTJQPFFO-JTQLQIEISA-N 474.012 3.926 50 10 JHGE C[C@]1(C2CC2)CN(S(=O)(=O)CCC(F)(F)CBr)CCN1Cc1ccccc1 2179954371 NDAIPZVNMGVKNH-GOSISDBHSA-N 465.404 3.723 50 10 JHGE Cc1ccc(I)c(C(=O)N2C[C@@H](CBr)OCC2(C)C)c1 2240926993 YAPMICNZUHMPFJ-LLVKDONJSA-N 452.130 3.614 50 10 JHGE CC(C)OCCCNC(=O)C(C#N)=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O 2296719382 KMBODMSTBIDKAK-UHFFFAOYSA-N 466.925 3.978 50 10 JHGE COc1ccc(C=NNC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1Br 2323613395 YBXGKBUUWDOKJU-UHFFFAOYSA-N 454.324 3.740 50 10 JHGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 2331331737 KXSMBPYXZPIOQY-UHFFFAOYSA-N 469.544 3.661 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)cc1 13998671 ARMSNIZNJLNFDL-UHFFFAOYSA-N 487.556 3.965 50 10 JHGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14035459 OLHBYROUPKNMRN-KRWDZBQOSA-N 465.575 3.978 50 10 JHGE Cc1ccc(C(C)C)cc1OCC(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O 20395763 JWHGYMFLQYSNKZ-UHFFFAOYSA-N 473.323 3.827 50 10 JHGE CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 24475136 NBJNDLYUCCOVHJ-QFIPXVFZSA-N 453.539 3.699 50 10 JHGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)S(=O)(=O)c1ccccc1 33553228 BJADNQJDQYVIOF-SDXDJHTJSA-N 459.483 3.834 50 10 JHGE CCNC(=O)/C(C#N)=C\c1c(N2CCC(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 35211910 JJSDWKDQCUKTNY-XLNRJJMWSA-N 455.562 3.505 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 40814919 MYGSHLIEIHNZLA-KOEQRZSOSA-N 492.448 3.632 50 10 JHGE CC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1 59879736 OPAOUMDXYMNKHL-CJCQAYSXSA-N 471.546 3.796 50 10 JHGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccccc1C(F)(F)F 217066117 ZBOJSNYWHSDXIG-VKAVYKQESA-N 458.440 3.598 50 10 JHGE Cn1ncc([C@H](Br)c2cc3c(cc2Cl)NC(=O)C3)c1I 381927812 QKDMVANGJOWWDE-GFCCVEGCSA-N 466.504 3.657 50 10 JHGE FC(F)(F)Oc1ncc(I)c(CCl)c1I 396179814 LXFRMSKPZYIOLP-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F 726276496 AJIWYLJJJMWBDR-PBHICJAKSA-N 466.957 3.970 50 10 JHGE COc1cc(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)ccc1OC(C)=O 1084244847 UZMBEXLKCWLFTC-UHFFFAOYSA-N 452.294 3.796 50 10 JHGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c1 1084404325 BKWQZAAXYPKHTP-UHFFFAOYSA-N 499.365 3.963 50 10 JHGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NC1CCCCC1 1084438722 UOSJXXXECPJKQV-UHFFFAOYSA-N 458.356 3.927 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C45CC6CC(CC(C6)C4)C5)c(=O)c23)C1 1860770939 CNPHGJMEYFWTJF-PNMXSBCLSA-N 468.623 3.508 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 1866125393 CKQCFVLVCPPHNB-OCEWKHMESA-N 498.535 3.964 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCC[C@H](CI)O2)CC12CCOCC2 1949510063 FBEPDJLIJQVQNO-KDOFPFPSSA-N 451.345 3.919 50 10 JHGE Cc1c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)nn(C)c1Br 2002831350 VCLCINCFJJPUPX-AWEZNQCLSA-N 459.182 3.543 50 10 JHGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2CCl)C1 2044692515 BAOTYEFXGXMHJV-UHFFFAOYSA-N 481.014 3.598 50 10 JHGE O=C(CBr)c1ccc([N+](=O)[O-])c(I)c1OC(F)(F)F 2055245830 PPWCPGOCNCYMOE-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE CC1(C)C[C@H](Br)C[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089699832 BEBVWHLHZKNJEX-CVEARBPZSA-N 485.444 3.715 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CCO1 2117534744 VCXBRUQBQUNZLT-PELKAZGASA-N 458.521 3.569 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2ccc(Br)cc2I)[C@@H]1Cl 2142284127 YMJLAPNBNHJOAR-QWRGUYRKSA-N 458.521 3.568 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)CC[C@H]1CBr 2152060940 MBYQYXUNSQFKDU-INIZCTEOSA-N 497.455 3.668 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N2CC(F)(F)C[C@H]2CBr)c1Br 2159051130 IAANWARCAYKOIM-QMMMGPOBSA-N 453.168 3.921 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179825927 MZKWOSHQKTUJPW-DOIPELPJSA-N 455.462 3.724 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2240737721 LRLFJEASYKZJKH-GJYPPUQNSA-N 497.455 3.667 50 10 JHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C#N)CC1 2248900996 HVNJZCUSFVXXEZ-DEOSSOPVSA-N 461.562 3.817 50 10 JHGE CO[C@H](CCBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277925770 LAIHIPCFIIRYNS-GFCCVEGCSA-N 457.988 3.670 50 10 JHGE CCOC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313567971 QQTMHQREQIILJS-UHFFFAOYSA-N 483.952 3.546 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1 2313890596 RGUMXQXUTYEFHL-KRWDZBQOSA-N 455.580 3.713 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCC(F)(F)CBr)cc1Br 2336427859 QTXXJOLYSHPGKM-UHFFFAOYSA-N 485.970 3.829 50 10 JHGE O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cc2ccccc2cc1O 3112523 FZYADARAYGWGLY-MFKUBSTISA-N 491.481 3.985 50 10 JHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](CC)Oc2ccccc2[C@H](C)CC)cc1 10683855 AADNDERISGBXQP-DYESRHJHSA-N 456.539 3.761 50 10 JHGE CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14023468 MRKVHVUJFAHORO-MRXNPFEDSA-N 455.736 3.795 50 10 JHGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40649906 HWRNGQFVSHFLIU-UHFFFAOYSA-N 495.452 3.606 50 10 JHGE O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658106 NYFYKRZZQMKSEY-UHFFFAOYSA-N 463.435 3.749 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-])c1ccccc1Br 40658383 GXPITEPFWQZNNA-UHFFFAOYSA-N 465.214 3.926 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c(Br)c1 40950807 ZCSDNYIHGXBOKU-UFFVCSGVSA-N 450.289 3.890 50 10 JHGE N#CC(=C/c1cc2ccccc2[nH]c1=O)/C(O)=N/c1cccc(S(=O)(=O)N2CCCCC2)c1 96998155 LRPYHZJYEWIKKW-RGEXLXHISA-N 462.531 3.898 50 10 JHGE NNC(=O)c1coc(COc2c(Br)cc(Br)cc2Br)c1 110555180 TVLSKCGWMXYBMT-UHFFFAOYSA-N 468.927 3.750 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NCCc1ccc(OC)c(OC)c1 217240228 MWTNWNPAOOYAEX-ZPHPHTNESA-N 451.523 3.839 50 10 JHGE Cc1c(Br)cc(NCC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1Br 252606631 GTWZNJJLALHCCS-UHFFFAOYSA-N 470.121 3.990 50 10 JHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(N(C)C)cc2)C2CCCCC2)cc1 254348183 JFKGMJDZPGSDTE-UHFFFAOYSA-N 456.612 3.535 50 10 JHGE O=C(NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(CN2CCOCC2)cc1 254514253 SFTLMMTWQOZING-UHFFFAOYSA-N 474.517 3.770 50 10 JHGE O=C(NNC(=O)c1cccc2cccnc12)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 727375466 PDTZVYMAOAAKNR-UHFFFAOYSA-N 480.933 3.764 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(CN3CCOC3=O)c2)c(-c2ccccc2)n1 918587434 DBQADXCBAMMZAF-RCCKNPSSSA-N 466.501 3.962 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)c1nc2ccccc2s1 1083943400 DJFISKMXBXJDNV-UHFFFAOYSA-N 465.451 3.679 50 10 JHGE CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)NNC(=O)CSCc1c(Cl)cccc1Cl)[C@H]2C(=O)O 1088732985 BEHPXVOMGOARCJ-NEYQJUBMSA-N 469.390 3.843 50 10 JHGE CCOC(=O)Cc1cc(CBr)c(OC(F)(F)F)c(I)n1 1848387560 DWNKNFZPQYHQGX-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE N#C/C(=C\c1ccccc1)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1865910104 QFKAYQKXUSROMK-NPWCAHBGSA-N 468.509 3.955 50 10 JHGE Cn1c(=O)n(C)c2cc([C@H](Br)[C@H]3C[C@@H]3Br)c(Br)cc21 1887726098 WSZRMLKXGFTYEU-DCUMQYTISA-N 452.972 3.859 50 10 JHGE CC1(C)CC[C@H](Br)[C@H](CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1927094245 MIJOYMHSZIEPCA-YJBOKZPZSA-N 499.471 3.818 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1cc(Br)ccc1Br 2054230860 UMLJUTIWOFQQHL-SPFNVWMYSA-N 458.997 3.938 50 10 JHGE O=S(=O)(N[C@H](CBr)C(F)(F)F)c1cc(Br)ccc1Br 2090444142 GSGFHJZKHOURGB-MRVPVSSYSA-N 489.933 3.816 50 10 JHGE C[C@H](Cl)[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CCO1 2117517702 RZOSKMVTPCBTND-UFBFGSQYSA-N 458.521 3.522 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201763744 PTIUCVQINMMSOJ-IINYFYTJSA-N 467.983 3.980 50 10 JHGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2cncc(CBr)c2)CC1 2283319280 HBHUKSOONHJEOS-UHFFFAOYSA-N 452.418 3.509 50 10 JHGE COCCCNC(=O)C(C#N)=C1NC(=NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 2296301194 IGMQZJFRWNDEGB-UHFFFAOYSA-N 457.317 3.571 50 10 JHGE COc1ccc(S(=O)(=O)C(C#N)=CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 2296576799 DQXWZOGFBDJZHE-UHFFFAOYSA-N 451.470 3.675 50 10 JHGE C[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[C@H]1Br 2338851520 FOJHSTKYUPIWOG-FRQCXROJSA-N 485.444 3.715 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2I)C[C@@H]1Br 2340054360 MBCXFPIAOQEHKI-UBHAPETDSA-N 458.521 3.615 50 10 JHGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1ccccc1Br 13980027 UWFDXJDCHCSEGB-UHFFFAOYSA-N 484.375 3.831 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 13999377 AUOGMDIPLXRVBA-UHFFFAOYSA-N 469.607 3.576 50 10 JHGE COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 96652895 CWNOTWHRGODWRZ-YPKPFQOOSA-N 485.949 3.836 50 10 JHGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2F)C(=O)N1c1ccc(OCC)cc1 101241789 BGJGXFGJKKSIBI-GHIWRQRASA-N 451.523 3.953 50 10 JHGE O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1cc(-c2cccs2)nc(O)n1 169923728 RGPWYPCDQTUKTN-WSDLNYQXSA-N 450.501 3.955 50 10 JHGE Cc1cccc(C(=O)N[C@H](CI)C(C)C)c1I 232702348 VHNGTVZOEVDKSP-LLVKDONJSA-N 457.093 3.789 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccn3)n2-c2ccccc2)cc1OC 254833591 KZMANYRPHBFNRF-UHFFFAOYSA-N 474.546 3.589 50 10 JHGE COc1cc(C=NNC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc(OC)c1O 263626673 ZCQLIGYVFAHACI-ZLBFDZAHSA-N 471.513 3.887 50 10 JHGE CC1=C(C(=O)NN=Cc2ccc(Cl)cc2Cl)[C@H](c2ccc(C(=O)O)cc2)NC(=S)N1 1084473512 GRBPMEMEZKEQPO-KRWDZBQOSA-N 463.346 3.635 50 10 JHGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1 1637295334 WRPZLQNMNGADBR-MRXNPFEDSA-N 456.996 3.827 50 10 JHGE C[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770938 CNPHGJMEYFWTJF-LOZBIDSYSA-N 468.623 3.508 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H](F)[C@H](Br)C1 1910196537 DDUWWXAOMZJCFX-RKDXNWHRSA-N 476.909 3.611 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](OCCBr)C1 2109128137 MVSZPMZPRWIXIR-SNVBAGLBSA-N 458.521 3.571 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(N)c(F)cc1Br 2125295015 ZHXAWQGHNWUHEB-UHFFFAOYSA-N 468.414 3.806 50 10 JHGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2132362753 AXVJBZKFEJCDAG-DLBZAZTESA-N 455.443 3.846 50 10 JHGE Cn1cc(Br)c(-n2c(CCCl)nc3cc(I)ccc32)n1 2155766049 QBZAYOMTOVHGKP-UHFFFAOYSA-N 465.520 3.907 50 10 JHGE C[C@]1(C2CC2)CN(S(=O)(=O)[C@H]2CC[C@H](CBr)C2)CCN1Cc1ccccc1 2179827067 AFXXVRDWOFAKLH-SESVDKBCSA-N 455.462 3.866 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)n(C2CC2)c1 2179862249 SZCHBYHPTRXRDB-INIZCTEOSA-N 452.418 3.613 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2179954559 PCDVYANIGOROOA-GOSISDBHSA-N 465.404 3.725 50 10 JHGE O=S(=O)(N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F)c1ccc(CBr)cc1 2193240991 XDOUJCLMOXEYEI-ZWKOTPCHSA-N 459.356 3.626 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1ccc(I)c(Cl)c1 2206483065 ASMJXYZKORMWGE-RYUDHWBXSA-N 470.532 3.759 50 10 JHGE Cn1nc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCCO3)n1 2235269504 MRVMXBKWRSXKOA-JTQLQIEISA-N 467.943 3.596 50 10 JHGE O=C(C=C(O)c1ccccc1)C(=O)NNC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2296132899 OZPOUBRJKWOPTO-UHFFFAOYSA-N 485.323 3.545 50 10 JHGE COCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 2296720846 CBPLAXMWKCZBJN-UHFFFAOYSA-N 473.316 3.853 50 10 JHGE C[C@H](Br)C[C@H](C)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316822723 TZQCBEYSUZLJDP-HOTGVXAUSA-N 473.433 3.572 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H](CBr)CC1 2338841227 VOEDRWNTBJSVDI-QGZVFWFLSA-N 485.444 3.670 50 10 JHGE C[C@@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2338852368 NNSPYQPJOPXZES-IAGOWNOFSA-N 485.444 3.526 50 10 JHGE ClC[C@]12CN(Cc3ccc(I)c(Br)c3)C[C@H]1CCO2 2349833383 XNURKRDOLUBLQM-RISCZKNCSA-N 456.549 3.883 50 10 JHGE O=S(=O)(N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)ccc1Br 2354925718 LMZRLERPDFODPB-LTGWCKQJSA-N 488.039 3.909 50 10 JHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14662490 PDFLEBDSKAXAQH-UHFFFAOYSA-N 499.361 3.981 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccccc2Br)c(OC)c1 33631596 YHVXEOOYENVPFJ-WJDWOHSUSA-N 471.307 3.651 50 10 JHGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCC(C)C 38608918 LRGZVWYLWCNVDA-UDWIEESQSA-N 454.523 3.666 50 10 JHGE COc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(OC)c1 101339313 GICIBCRTSUNCDE-DEDYPNTBSA-N 462.502 3.556 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c(O)c1 254749509 SWEUKFQMZLSQHS-UHFFFAOYSA-N 496.589 3.812 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2cc(Br)cc(Br)c2)C1 311827919 OOVYEFFQMGGHQW-NWDGAFQWSA-N 455.972 3.836 50 10 JHGE COc1ccccc1[C@H](CNC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)N(C)C 1087615072 ZRQAETNBQFCVNL-QYJYQYCBSA-N 450.583 3.619 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 1214617624 AAGKFKAALILUPW-OAHLLOKOSA-N 452.442 3.836 50 10 JHGE C=CC(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)(c2ccccc2)CC1 1586840413 TWDLIVFQHOJOSZ-UHFFFAOYSA-N 451.592 3.524 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 1866880284 YSDQLLFBGRNDMS-GBXCKJPGSA-N 484.581 3.979 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](F)[C@H](Br)C2)cc1Br 1888471080 ZLVHWXOUTKZWHL-ZJUUUORDSA-N 479.991 3.626 50 10 JHGE O=C(NC[C@H]1C[C@H]1Br)c1cc(I)ccc1Br 1897149664 XVZJMLBBSSQFQW-LHLIQPBNSA-N 458.919 3.567 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Cl 1924876964 OVSHFKXKDOOMFH-LPHOPBHVSA-N 453.004 3.560 50 10 JHGE CCN1CCC[C@@H]([C@@H](Br)c2csc(I)c2)S1(=O)=O 2029069268 QIABCACGKKIHAG-ONGXEEELSA-N 464.188 3.603 50 10 JHGE CCC(CC)N(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029232162 FCHKBUGYCOUYQF-UHFFFAOYSA-N 473.433 3.668 50 10 JHGE N#CC(=Cc1ccccc1I)c1nnc(N2CCOCC2)n1-c1ccccc1 2042453315 CAYSEJLJFIPVBL-UHFFFAOYSA-N 483.313 3.773 50 10 JHGE O=C(c1scc(Br)c1Br)N1CC[C@H](OCCBr)C1 2046754398 NJEPXNAAZDTVFG-ZETCQYMHSA-N 462.001 3.899 50 10 JHGE CN(C)C[C@H](Br)CN(C)C(=O)c1c(Br)cccc1Br 2094094983 HYNYWZJDNNKNHK-VIFPVBQESA-N 457.004 3.609 50 10 JHGE CS(=O)(=O)[C@@H]1CSCCN1c1c(CBr)ccc(Br)c1Cl 2154370140 YKCKIXSKBAQAIO-SNVBAGLBSA-N 463.644 3.921 50 10 JHGE CC(C)(C)OC(=O)N1CCC12CC(CNS(=O)(=O)c1ccc(CBr)cc1)C2 2162600933 KFFDKTNAUZBORF-UHFFFAOYSA-N 459.406 3.649 50 10 JHGE CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2163051200 QUTIWJLLFFPERK-GJZGRUSLSA-N 459.406 3.505 50 10 JHGE COc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 2179860532 SYJURISTIYROFO-SFHVURJKSA-N 454.386 3.960 50 10 JHGE COc1cc(CBr)ccc1S(=O)(=O)N1CCC[C@H](OCc2ccccc2)C1 2186379433 ACDCXUGHQVITAI-SFHVURJKSA-N 454.386 3.960 50 10 JHGE CCN(CCBr)CCC[C@@H](C)NS(=O)(=O)C1CC(OCc2ccccc2)C1 2204137223 IJSPLAXUOUUGPV-QHGAOEGBSA-N 461.466 3.539 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H](F)[C@H](CBr)C1 2277932328 ZEBHJGMQKOWZTF-SKDRFNHKSA-N 457.963 3.946 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(CBr)cc1 2296493982 PFVTVMWKHZPVPP-CYBMUJFWSA-N 469.348 3.505 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)C(C)(C)NC(=O)OC(C)(C)C 2306147960 AKEFOTCGSDUMLG-FQEVSTJZSA-N 481.681 3.629 50 10 JHGE CC[C@]1(C)[C@@H](Br)CCN1C(=O)c1c(Br)c(Br)nn1C 2338673958 OFILFHAFRIQAOM-JVXZTZIISA-N 457.992 3.723 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2364191841 XNYFSFCUHPGRLN-KCUHQSDYSA-N 497.455 3.715 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCC(C)C)c1 10283704 CHBBWXOSHXTDJP-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE Cc1ccc(/C=C/C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)o1 12494094 ANOQKPFAEGAEJK-AATRIKPKSA-N 472.133 3.661 50 10 JHGE COc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 12570407 NFFCKNIXYKLCGV-UHFFFAOYSA-N 498.402 3.925 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)cc1 13987078 YGPOMKXDGSDAJF-SDNWHVSQSA-N 458.971 3.818 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 40879065 XQXDLQAXJYPMPU-LDADJPATSA-N 462.458 3.505 50 10 JHGE CC[C@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721579095 PULRNGYYHXKCAZ-QMMMGPOBSA-N 460.935 3.957 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1C 727332201 CNVKKFDLDBXRHT-WBRURWICSA-N 452.555 3.542 50 10 JHGE O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(F)(F)F 1083949063 FLHOMBFQKYRSDC-UHFFFAOYSA-N 465.453 3.640 50 10 JHGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1cc([N+](=O)[O-])ccc1O 1084551650 WXIMVCZLXIFVFL-UHFFFAOYSA-N 475.211 3.995 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1C[C@@H]1CCCO1 1087795381 ZMHQWXFSPJTVEL-NJXRFNICSA-N 466.626 3.832 50 10 JHGE CCc1nn(-c2ccccn2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695263 AXAABCIMZABYOL-QGZVFWFLSA-N 468.311 3.525 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(I)cc3)c(C)n2)cc1 1865757167 PRGZEMVJWJUXJH-UHFFFAOYSA-N 487.297 3.745 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3)c(C)n2)cc1OC 1865759396 YKKIYTBQPWMBOF-HNNXBMFYSA-N 469.925 3.956 50 10 JHGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(C#C[Si](C)(C)C)cc1B(O)O 1887519994 YBCWKMPBTRKOGZ-UHFFFAOYSA-N 483.449 3.942 50 10 JHGE COC(=O)Cc1cc(CBr)cc(I)c1I 2055328391 JICYXGKTXNDBGK-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE COC(=O)Cc1cc(OC(F)(F)F)c(I)cc1CBr 2055371090 QICTZFKKOKFSMT-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE CCOc1cc(C(=O)CBr)c(I)cc1I 2060131593 KTMFYMFGXGVPEY-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE CC1(C)CC[C@@H](CBr)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089707479 OINPPEHYHCGMNR-INIZCTEOSA-N 485.444 3.668 50 10 JHGE C[C@@H](Cl)[C@H]1CN(C(=O)c2cc(I)ccc2Br)CCO1 2117535222 YFIXGEQKLAAPDA-PRHODGIISA-N 458.521 3.522 50 10 JHGE Cc1c(N)cc(Br)cc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2125293691 ONGHIIZQRAPEQF-UHFFFAOYSA-N 464.451 3.976 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@H](Br)C(F)(F)CC1 2150018911 NCAIICMKVLKQFA-NSHDSACASA-N 460.056 3.632 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@@H]2CCC[C@@H]21 2162588144 BSALJYMACXWELA-ULQDDVLXSA-N 459.406 3.648 50 10 JHGE CN(Cc1cccc(NC(=O)OC(C)(C)C)c1)S(=O)(=O)N1CCC(Br)CC1 2163053489 NXSFFYINYZYORM-UHFFFAOYSA-N 462.410 3.570 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201751035 MTIXGSWMGMHJSG-OTYXRUKQSA-N 467.983 3.980 50 10 JHGE CN(C[C@]1(Br)CC1(F)F)S(=O)(=O)c1cc(CCl)oc1Br 2202538590 VNDKILALSCKEDL-SECBINFHSA-N 457.518 3.574 50 10 JHGE ClC[C@H](I)[C@@H](CCl)OCCOCCOCCOCc1ccccc1 2214899198 QODWHBBOOBWOLH-DLBZAZTESA-N 491.193 3.903 50 10 JHGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)CCC(F)(F)CBr 2231335931 WUTIYKNQQBFMER-UHFFFAOYSA-N 453.393 3.723 50 10 JHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1ccc(Cl)c(I)c1 2283652472 VOTWRFJFLLDESF-LLVKDONJSA-N 471.564 3.534 50 10 JHGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1 2293198125 SCVLYPDSFQLPLA-UHFFFAOYSA-N 450.491 3.678 50 10 JHGE CC(C)(C)C[C@@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338836572 MBCKYWFFTSVVMX-MRXNPFEDSA-N 487.460 3.962 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(F)c(Br)cc1O 2339484552 RLEQZMLWNNKICW-UHFFFAOYSA-N 469.398 3.930 50 10 JHGE CC(C)[C@H]1C[C@](C(=O)O)(N(C)CC2CC(Br)C2)CN1C(=O)OCc1ccccc1 2350753824 NLKULGJOVPGTRD-OKYOFGHESA-N 467.404 3.982 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1Br 10283628 SOCSVNMNOOZCRF-UHFFFAOYSA-N 464.385 3.742 50 10 JHGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1OC 12493404 UUPJWOAUDHMADU-OQLLNIDSSA-N 459.502 3.739 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1OC 14645698 OJZBDVQWCAQSGV-UHFFFAOYSA-N 465.344 3.966 50 10 JHGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccnc2)cc1I 59148763 QIPSNMCYTQENRC-BRJLIKDPSA-N 482.281 3.901 50 10 JHGE CCOc1ccc(C=NNC(=O)c2ccccc2C)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254845035 KHZUMTOBDYTVPF-PKTZIBPZSA-N 484.600 3.939 50 10 JHGE ClCc1cc(-n2cnc(I)c2I)ncc1Cl 309172792 RPPGRBQJIWYKSN-UHFFFAOYSA-N 479.874 3.869 50 10 JHGE O=C(Cl)c1c(OC(F)(F)F)ncc(I)c1I 396156051 MVRTWOPDDGGUEI-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE COc1ccc(N2NOC(=O)/C2=C(/O)N=C2[S+]=C3C[C@H](c4ccccc4)CCC3=C2C#N)cc1 585673283 MOSQKEANDBUKDX-MRXNPFEDSA-O 473.534 3.660 50 10 JHGE CC(=O)CCc1ccc(OCC(=O)NNc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 745187309 KPUYPEWKGKAGJC-UHFFFAOYSA-N 455.518 3.978 50 10 JHGE COc1cc(C=NNC(=O)c2ccc(OC(C)C)c(OC)c2)ccc1OC(=O)c1ccncc1 916351351 FLFAJODXTYEDRV-UHFFFAOYSA-N 463.490 3.869 50 10 JHGE CN(CC(=O)N(C)C1CCCCC1)C(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 918132662 DZZGBGDMMYVJNU-LTGZKZEYSA-N 458.566 3.620 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C(C)(C)C1 1260513129 QISRNULNJMSFJX-MRXNPFEDSA-N 461.422 3.895 50 10 JHGE C=CC[C@@]1(C(=O)NNC(=O)CSc2ccc(Cl)cc2)CCCN1C(=O)OC(C)(C)C 1628631403 WTXOBWGGJMRLIA-NRFANRHFSA-N 453.992 3.925 50 10 JHGE Cc1ccccc1-c1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962100 PNSNYUPOEHCHOI-XZOQPEGZSA-N 497.599 3.792 50 10 JHGE COc1cc(Br)cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c1O 1873795374 FTSVFTVJRJOBPE-WSDLNYQXSA-N 458.353 3.699 50 10 JHGE CC(C)(C)N(CCCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233854 YCISEHWQRLBUJC-UHFFFAOYSA-N 473.433 3.668 50 10 JHGE CN(C)C[C@H](Br)CN(C)C(=O)c1csc(Br)c1Br 2032955970 IOGNVYYHRDHDRT-ZETCQYMHSA-N 463.033 3.670 50 10 JHGE CCCCCC[C@@H]1[C@H](C[C@@H](O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080455847 PWYXBNKHHZEXDU-YPMMUWAHSA-N 460.567 3.722 50 10 JHGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CCC[C@]2(CBr)CCCC[C@H]12 2165244754 SZACYUROBSFYFU-PMACEKPBSA-N 457.434 3.552 50 10 JHGE O=S(=O)(C1CCC(CBr)CC1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179827504 GAXRGDOLHBHYFI-UHFFFAOYSA-N 465.404 3.723 50 10 JHGE Cc1cc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc(CBr)c1F 2179861633 KGYHYTGBRLPSKK-GOSISDBHSA-N 455.393 3.924 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2CCO[C@@]2(CBr)C1 2231364265 WRCJDISVIICYBM-MADCSZMMSA-N 474.012 3.899 50 10 JHGE C=C[C@@]1(CBr)COCCN1C(=O)c1ccc(Cl)c(I)c1 2283664401 QLDFWNQILKBGRJ-CQSZACIVSA-N 470.532 3.737 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295313913 QSQLFBVTVRQTFQ-STQMWFEESA-N 469.999 3.765 50 10 JHGE CCCN(CCOCCI)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 2306800861 AMDLOLXIMJFBPC-INIZCTEOSA-N 454.393 3.940 50 10 JHGE CC(C)(CI)CN=S1(=O)CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 2306811057 ZTNHBRAYFICNHF-UHFFFAOYSA-N 470.417 3.947 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H]2[C@H]1CBr 2311380655 NXMCEXPGZGRZKY-JWKOBGCHSA-N 484.957 3.909 50 10 JHGE Cc1ncnc(N2CC[C@@](CBr)(C(F)(F)F)C2)c1I 2339887101 OYGHNPDXHAZUJH-JTQLQIEISA-N 450.040 3.543 50 10 JHGE Clc1ccc(I)cc1CN1C[C@H]2CCO[C@]2(CBr)C1 2352430274 SHCYNVQIYZXHTB-BXUZGUMPSA-N 456.549 3.930 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC(CBr)C[C@@H](C2)C1 2368379857 AGEJUUYQFBXYSJ-ROUUACIJSA-N 497.455 3.526 50 10 JHGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cccc(C)c1C 14649129 GKEOSIJCQLLGMF-UHFFFAOYSA-N 457.596 3.977 50 10 JHGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38655042 SJWABAFJCAZUJI-XMMPIXPASA-N 457.442 3.970 50 10 JHGE Cc1c(Cl)cccc1Nc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40588527 LOJRTXMLDWEOFZ-UHFFFAOYSA-N 457.834 3.684 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 41014117 YVGZCQCAJFEWSK-MHWRWJLKSA-N 491.327 3.752 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)cc1 58894919 BNCPTESVXOUEAG-QVISHHADSA-N 492.956 3.653 50 10 JHGE CC(=O)Oc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 169920473 ZAZZXSHERHAHKH-ROTLSHHCSA-N 458.301 3.893 50 10 JHGE CC1(C)CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H](CBr)O1 232350568 GWWDVPGWHOJXPI-JTQLQIEISA-N 472.548 3.959 50 10 JHGE C[C@@H](Br)CN(C)C(=O)c1cc(I)ccc1Br 235173516 ZLMUXHZVNTUZAO-SSDOTTSWSA-N 460.935 3.909 50 10 JHGE FC(F)(F)Oc1cc(I)c(I)c(CCl)n1 396158191 GRLDZFUDMAYOGS-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE O=C(N[C@H](CBr)CC(F)(F)F)c1cccc(F)c1I 721685140 SQZPNAHCRNQEQB-LURJTMIESA-N 453.999 3.876 50 10 JHGE CCOc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)cc1 730586714 AZAWIILYIKJYAT-ADLFWFRXSA-N 455.580 3.929 50 10 JHGE CCCOc1c(Br)cc(Br)cc1C=NNC(=O)Cn1nc(C)cc1C 916344570 BPVAQLFRITYXHO-UHFFFAOYSA-N 472.181 3.964 50 10 JHGE NNC(=O)/C=C\c1ccc(OCc2cccc(Br)c2)c(I)c1 1081475896 KTPKXHINTKZARW-ALCCZGGFSA-N 473.108 3.636 50 10 JHGE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(CCCl)CCCl)cc3)C2=O)cc1 1084457438 QBASAQJWHMSYCA-XMHGGMMESA-N 462.333 3.646 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)cc1 1084495956 MQLIIBDCTWCBBA-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(F)c(Br)cc2F)cc1 1202098947 MVPZDUTWWVMHOG-JTQLQIEISA-N 456.243 3.550 50 10 JHGE CCC(=O)NC1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 1347509087 GFSUHRSMBHHBHC-NBVRZTHBSA-N 464.957 3.541 50 10 JHGE C=CCNC(=O)c1ccc(NC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 1465340725 XDIVKLRLVNAHTQ-UHFFFAOYSA-N 455.474 3.877 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)CCn3ccc4ccccc43)c(=O)c2c1-c1ccccc1 1860769800 IIMDGKAPIIPIJF-UHFFFAOYSA-N 485.569 3.626 50 10 JHGE O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771106 KCLLESYBWBXMAQ-DHZHZOJOSA-N 464.934 3.639 50 10 JHGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752498 GIZDNHMFEJCQRS-SSZFMOIBSA-N 476.426 3.536 50 10 JHGE CCOc1c(C(=O)CBr)ccc(I)c1I 2060134255 UQXSZDOGSKEWID-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE CC[C@@H](Br)[C@@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2114196104 HVYDWIRTNBQCBX-MSOLQXFVSA-N 485.444 3.667 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)CCO1 2117530743 GWRGAIDGRDAHRQ-PELKAZGASA-N 458.521 3.569 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3C(CBr)[C@H]3C2)cc1Br 2146866117 INHAZNUPQFUCBG-NXEZZACHSA-N 488.039 3.781 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@H](Br)CC2(CCC2)C1 2151343989 CNJPJIJCOVJEPV-SNVBAGLBSA-N 450.114 3.777 50 10 JHGE O=C(c1cccc(I)c1)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2163353596 QAJIFLFXOJSSQS-ONGXEEELSA-N 462.047 3.937 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)c(CBr)c1 2179785312 KHQXEVZEWDFETR-UHFFFAOYSA-N 456.402 3.744 50 10 JHGE O=C(NCC1(CBr)CC(F)(F)C1)c1sccc1I 2255491109 RVUXFYUUGQKBQP-UHFFFAOYSA-N 450.086 3.893 50 10 JHGE CCN1CC[C@@H]([C@@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2268284947 YNEYEENUVMNCLX-RYUDHWBXSA-N 478.577 3.805 50 10 JHGE CC(C)[C@H]1C[C@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)CN1C(=O)OCc1ccccc1 2324772586 JLXYZKVPKMXLOZ-NEYJZJCJSA-N 453.377 3.640 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Br)cc1 2336536769 OOJJOMQNWBNGBB-UHFFFAOYSA-N 453.999 3.885 50 10 JHGE CC[C@]1(C)[C@H](Br)CCN1C(=O)c1c(Br)c(Br)nn1C 2338673957 OFILFHAFRIQAOM-JMCQJSRRSA-N 457.992 3.723 50 10 JHGE C[C@@H]1CC(O[C@@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)S1(=O)=O 2352579897 PBSPRXSKQPDOJL-HBUWYVDXSA-N 454.427 3.522 50 10 JHGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 9695902 RGRJHHPYXNKEFU-UHFFFAOYSA-N 492.551 3.714 50 10 JHGE Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 10736865 ISZNVLMMHQFYAV-UHFFFAOYSA-N 480.521 3.501 50 10 JHGE O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 17360709 GKHUQVUWUANITB-UHFFFAOYSA-N 483.915 3.726 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959208 XMAVCPXJPJOTAE-JFLMPSFJSA-N 494.500 3.800 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-])c1ccc(Br)cc1 40657910 NWRLOKYUHRMBCM-UHFFFAOYSA-N 465.214 3.926 50 10 JHGE COc1cccc(/C(C)=N\NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 58992021 FEFBFIFFLPKFCI-ONUIUJJFSA-N 458.547 3.970 50 10 JHGE COc1ccc(OCC(=O)N/N=C2/C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 102647478 ZEKPDEJQUMXFFE-WBECMCTDSA-N 490.604 3.799 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H](CCl)O1 235354065 CHDANYKNSRSMEU-SCZZXKLOSA-N 458.521 3.522 50 10 JHGE COCC[C@H](CBr)NC(=O)c1cc(Br)ccc1I 305926321 NLSMUNUECRZXDA-SECBINFHSA-N 490.961 3.584 50 10 JHGE CC(=O)[C@@H](Br)c1cc(I)cc(I)c1 306832766 MSHBCXAPIZYMJM-SECBINFHSA-N 464.866 3.921 50 10 JHGE COC[C@](C)(CBr)NC(=O)c1cc(I)ccc1Br 716907077 JRLZFYJSLSTOOA-LBPRGKRZSA-N 490.961 3.584 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N(CCCl)CC(F)F 721617269 WXCRICXCVFJZNT-UHFFFAOYSA-N 452.464 4.000 50 10 JHGE COc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc2c1O[C@H](C)C2 754712891 AFYYDCXIEJHZNY-OAHLLOKOSA-N 450.466 3.812 50 10 JHGE CN(C)c1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cn1 914765644 HYXSYQIKMFJUIZ-UNOMPAQXSA-N 459.941 3.802 50 10 JHGE CC(=NNC(=O)COc1ccc(Br)cc1Br)c1ccc(O)cc1O 1084423794 WASSIQOLWPOJTH-UHFFFAOYSA-N 458.106 3.542 50 10 JHGE O=C(NN=Cc1cccc2ccccc12)c1nonc1C(=O)NN=Cc1cccc2ccccc12 1084632464 AAJVCKZBDMKMAE-UHFFFAOYSA-N 462.469 3.904 50 10 JHGE O=C(CSc1ccc([N+](=O)[O-])cc1)NN=Cc1cc(Br)c(N2CCCC2)o1 1084632475 CMMWAVFMCFFTAT-UHFFFAOYSA-N 453.318 3.793 50 10 JHGE CN(C[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1)C(=O)OC(C)(C)C 1260503653 JWQANGGEDNEDKO-INIZCTEOSA-N 461.422 3.849 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2c(Cl)cccc2Cl)cc1 1650858071 AMENLZCYZXFTHX-UHFFFAOYSA-N 458.367 3.740 50 10 JHGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4Cl)c(C)c32)cc1 1772745572 FMCINTAEXKTSKQ-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE CCCOc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771797 IJDRNYIYSKXHSH-ISBHARSQSA-N 480.590 3.547 50 10 JHGE CO[C@H]1C[C@H](NCCSSCCNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1903203655 QZTIQWRPNRNDHY-HOTGVXAUSA-N 465.682 3.507 50 10 JHGE C[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1914352983 LBJSBNWERBVDKU-GOSISDBHSA-N 462.999 3.912 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2c(Br)cccc2Br)C1 2094089120 SSIFGNFMSHUYEJ-BDAKNGLRSA-N 455.972 3.836 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2ccc(Br)cc2I)[C@H]1Cl 2142284125 YMJLAPNBNHJOAR-GHMZBOCLSA-N 458.521 3.568 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(CBr)cc1 2163052661 GHFPHESLFPKEAO-YOEHRIQHSA-N 461.422 3.848 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@]2(CCl)CCC[C@H]12 2165236978 VVGQSDNGWGSCNP-AVRDEDQJSA-N 453.004 3.512 50 10 JHGE O=C(NC[C@]12CCC[C@]1(CBr)C2)c1cc(I)ccc1O 2208039059 IOXSNBRHYBPBMT-HUUCEWRRSA-N 450.114 3.682 50 10 JHGE O=C(NCc1nnc(CBr)s1)c1ccc(Cl)c(I)c1 2268349516 QRKZUQVRRAPUSS-UHFFFAOYSA-N 472.533 3.621 50 10 JHGE CC1(C)CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H](CBr)O1 2283657013 QYDNZWNXGLOHNU-JTQLQIEISA-N 472.548 3.959 50 10 JHGE Cc1cc(C=C(C#N)C(=O)O[C@H](C)C(=O)Nc2ncnc3[nH]cnc23)c(C)n1-c1cccc(Cl)c1 2297431495 MDAMWXNLHFVEAC-OAHLLOKOSA-N 489.923 3.891 50 10 JHGE CC(C)(CI)CN1CCO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 2306817482 ZOMLZCBAZBKZBN-SFHVURJKSA-N 452.377 3.550 50 10 JHGE O=C(C=Cc1ccc(F)cc1)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 2313617299 ZGRQJXPPWDOJRJ-UHFFFAOYSA-N 483.352 3.587 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(c2ccccc2OC)CC1 2325309737 HMSFATBLDFYQIR-UHFFFAOYSA-N 462.550 3.820 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2364016363 ARZMYQICMMVSBG-HRDYMLBCSA-N 470.003 3.723 50 10 JHGE COc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1OC 9779811 LFCMYIHWMHXAOZ-UHFFFAOYSA-N 478.126 3.613 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)NC(=O)NC2CCCCC2)c(C)n1-c1ccccc1F 33480734 RVFZEQNEBUPCCG-UYRXBGFRSA-N 466.513 3.842 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NC1CCN(C(=O)OC(C)(C)C)CC1 217241324 VNPAMRKQDGRLMM-ZCXUNETKSA-N 470.570 3.979 50 10 JHGE COc1ccc(/C(C)=N\NC(=O)[C@@H](Cc2ccccc2)C(=O)N/N=C(\C)c2ccc(OC)cc2)cc1 250636275 FTGQVDLLESQXAQ-SWXUTBABSA-N 486.572 3.943 50 10 JHGE biogenic Cc1ccc(NCc2nnc(SCC(=O)NN=Cc3ccccn3)n2-c2ccccc2)cc1 254759329 LDKLKCPGGYCMFB-UHFFFAOYSA-N 457.563 3.825 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCS[C@@H](CCl)C1 720063866 WSSZSSGYDQHSTD-VIFPVBQESA-N 460.562 3.850 50 10 JHGE CC(=NNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1 1084579758 PUTLUARNTPSDEU-UHFFFAOYSA-N 498.992 3.899 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 1866607638 XWGYOERMWOTHIL-QFIPXVFZSA-N 473.554 3.940 50 10 JHGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1873940647 BFDZXLATPDCOIV-ZPHPHTNESA-N 456.505 3.798 50 10 JHGE CCOC(=O)Cc1cc(CCl)cc(I)c1I 2055330904 IFZALPUTOXECCY-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Br)sc1C 2081252824 BDKZVXLOUZBTLH-IONNQARKSA-N 466.204 3.947 50 10 JHGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2[C@@H]1CCCCN1C(=O)OC(C)(C)C 2105847766 MDMHBSNENHJVKP-GAVPKDGKSA-N 479.355 3.692 50 10 JHGE C[C@@H]1CO[C@@H](CCl)CN1C(=O)c1ccc(Br)cc1I 2142285628 RYKNGAJOEICGQT-SCZZXKLOSA-N 458.521 3.522 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](OCCCBr)C1 2207051971 RRKVIXHACHFSQK-LLVKDONJSA-N 472.548 3.961 50 10 JHGE Cc1ccc(C(=O)N[C@H](CBr)c2cscn2)cc1I 2224629874 QZXRGXONQXKKFR-LLVKDONJSA-N 451.127 3.922 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CCl)C[C@@H]2CCCC[C@@H]21 2240733030 MOKCJXFJHPVGQJ-BXWFABGCSA-N 453.004 3.511 50 10 JHGE Cc1ccc(I)c(C(=O)N2C[C@H](CBr)OC(C)(C)C2)c1 2240916237 UJZSMNSOCDXGGB-NSHDSACASA-N 452.130 3.614 50 10 JHGE CN(C(=O)c1c(F)cccc1I)[C@@H](CCBr)C(F)F 2267667386 CMKHBUAGAFSNNG-VIFPVBQESA-N 450.036 3.921 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268352288 ZJFXAVYATGDCGU-ZJUUUORDSA-N 458.521 3.569 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1O 2294172019 UOJUYNWHVRFLQJ-UHFFFAOYSA-N 456.340 3.809 50 10 JHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 2314585682 MESCYPYHIKIMRS-UHFFFAOYSA-N 457.368 3.713 50 10 JHGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2I)cc1OC 33224675 MZPRYASTSXHSNB-UHFFFAOYSA-N 488.709 3.817 50 10 JHGE COCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O 33697258 BNPSWCDSEVKEEH-SSZFMOIBSA-N 452.898 3.508 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 38658486 VLBLKLVQKICXAF-SANMLTNESA-N 488.496 3.915 50 10 JHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] 40588856 VIEGBJWBYYLFSX-UHFFFAOYSA-N 477.359 3.741 50 10 JHGE O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 105289538 ZPRBDOHEMOQEEP-UHFFFAOYSA-N 493.523 3.933 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)c1C 109336104 PQFSQHBGOISBNC-WBDNEWJQSA-N 454.615 3.907 50 10 JHGE COc1cc(C=NNC(=O)CNC(=O)c2ccccc2C)ccc1OC(=O)/C=C/c1ccccc1 254449240 FIYOVVNIRCPPOI-OEDFLHOPSA-N 471.513 3.503 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCC(=O)OC 1084385173 FGZBUILNYIBWCJ-UHFFFAOYSA-N 469.719 3.817 50 10 JHGE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F 1349633507 XRASPHTUYZTXPI-ZDUSSCGKSA-N 453.914 3.654 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(OCC(F)(F)F)c2C)cc1 1465536792 IPFXGWGVLDFWIO-AWEZNQCLSA-N 453.417 3.759 50 10 JHGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692967 QIKSRRMUNHTUGV-OAQYLSRUSA-N 464.497 3.877 50 10 JHGE C[C@H](NC(=O)c1ccc(I)cc1)c1nnc(CBr)s1 1877559492 ZSRQZCMIBOFXAP-ZETCQYMHSA-N 452.115 3.529 50 10 JHGE O=C(NC[C@@H]1C[C@H]1CBr)c1ccc(I)c(Br)c1 1907253711 FXQYPJVKTOWXSI-IUCAKERBSA-N 472.946 3.815 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@H](CBr)C2(CCC2)C1 1914493714 RRHPASCCILKYDD-JTQLQIEISA-N 450.114 3.634 50 10 JHGE CC(C)(C)OC(=O)NCC1(NC(=O)C2CC(Br)C2)CCN(Cc2ccccc2)CC1 1991409363 RBTKYHSURKMDQK-UHFFFAOYSA-N 480.447 3.836 50 10 JHGE O=S1(=O)C[C@H]2C([C@@H](Br)c3cc(Br)sc3Br)[C@@H]2C1 2006153806 NTKZAWUHGGCZAH-KCRUCZTKSA-N 465.026 4.000 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CCO1 2117532652 NPAPLJJWKQXRBE-QPUJVOFHSA-N 455.972 3.836 50 10 JHGE Clc1cc(CN2CCCN(CCBr)CC2)ccc1I 2142944247 RYMZOSOAJMZCNU-UHFFFAOYSA-N 457.581 3.847 50 10 JHGE CN(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2163054871 AZNISFMCUZUZMI-INIZCTEOSA-N 461.422 3.992 50 10 JHGE COc1cc(CBr)ccc1S(=O)(=O)N(CCCN(C)C)Cc1ccccc1 2179860242 OXXKKNCWRYEISP-UHFFFAOYSA-N 455.418 3.733 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)Cc1ccsc1Br 2218986799 BEKUZNYTSCNGOT-WPRPVWTQSA-N 466.204 3.780 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239902836 JAVBRKZXMMWKLQ-XPTSAGLGSA-N 470.532 3.571 50 10 JHGE BrC[C@@H]1CO[C@@H]2CN(Cc3ccc(Br)cc3Br)C[C@@H]2O1 2279861415 FVODKPIDLIWOPA-BNOWGMLFSA-N 469.999 3.575 50 10 JHGE BrCCc1cn(Cc2ccc(I)c(Br)c2)nn1 2306223124 AWHQMCNSVYBANZ-UHFFFAOYSA-N 470.934 3.631 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@H]2[C@@H]1CBr 2311380654 NXMCEXPGZGRZKY-GMEUVTARSA-N 484.957 3.909 50 10 JHGE CCCOc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 2325885263 IJDRNYIYSKXHSH-MRXNPFEDSA-N 480.590 3.547 50 10 JHGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1F 2331337777 ZGYMHUUFCBBXFT-UHFFFAOYSA-N 480.433 3.955 50 10 JHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 14038813 QCZKUHVWWLONOT-GOSISDBHSA-N 462.502 3.524 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644452 QJFWBPJHKVWFOD-GFCCVEGCSA-N 453.720 3.896 50 10 JHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1 14662488 WPWPYDSFKKWEGO-UHFFFAOYSA-N 485.762 3.585 50 10 JHGE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1cccc(O)c1 34255285 VJLTUDLKZYACEH-LGMDPLHJSA-N 475.617 3.677 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40815985 YVOXBUXYDLPWRP-BYNJWEBRSA-N 486.572 3.786 50 10 JHGE COc1nn([C@@H](C)C(=O)NN=C(C)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] 252620764 MLQBAFISQNDRSE-AWEZNQCLSA-N 484.900 3.807 50 10 JHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1 254525886 ICEHZGHIJDNUMV-UHFFFAOYSA-N 494.500 3.713 50 10 JHGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1OC 254594571 UHBAJDOYJOQAEW-UHFFFAOYSA-N 474.542 3.645 50 10 JHGE C[C@@H](Br)C1CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 719758300 OZHGFLWORNQSDR-SSDOTTSWSA-N 462.001 3.616 50 10 JHGE CCc1cccc(NC(=O)CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 748261255 GKBUNXHJKRQZEJ-RCCKNPSSSA-N 452.518 3.688 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)O[C@H](C)c2cccc(F)c2)cc1 918948859 DMWQLCHBSPSCKD-BKAYVGFPSA-N 462.481 3.785 50 10 JHGE CCCNC(=O)CN1C(=O)C(=NNC(=O)COc2ccc(C3CCCCC3)cc2)c2ccccc21 1084133275 GCXOIXMEFPGOOY-UHFFFAOYSA-N 476.577 3.506 50 10 JHGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 1084322943 RPHGNIGDIUDLSW-UHFFFAOYSA-N 457.534 3.677 50 10 JHGE O=C(CN1CCCc2ccccc21)NNC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 1086839839 CJFUTQRSHPHYIX-TWVWUCKLSA-N 460.416 3.711 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)c1 1303280144 FHWPCXAMWXDVAU-UHFFFAOYSA-N 453.930 3.766 50 10 JHGE C=C(CBr)CN1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1473623454 SCZRWBLXORNTJW-ZFWWWQNUSA-N 453.274 3.622 50 10 JHGE CC(=O)N[C@H](C(=O)NNc1ccc(Br)c(C)c1)c1cccc(Br)c1 1566610513 HDOFEMBUXWHWFW-INIZCTEOSA-N 455.150 3.841 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(Br)cc3)c(=O)c2c1-c1ccccc1 1860769925 LUUXQWZEICTNHK-UHFFFAOYSA-N 497.374 3.657 50 10 JHGE CN(CC1(Br)CC1)S(=O)(=O)c1ccc(CBr)c(Br)c1 1887893535 RGFUTSVVLLDTJX-UHFFFAOYSA-N 476.028 3.892 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@@H]1C(=O)Nc2c(Br)cc(F)cc21 1984041371 XNPWTVNHANVKQD-WDEREUQCSA-N 452.118 3.912 50 10 JHGE COC(=O)Cc1ccc(I)c(CBr)c1OC(F)(F)F 2055365454 PMQSPUJUVSZISX-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cccc(C)c1I 2089400275 NAMMBEJSJBJBRB-GFCCVEGCSA-N 460.175 3.707 50 10 JHGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(CCBr)s2)CC1 2123244315 UZIMMSFHGAYVLU-UHFFFAOYSA-N 457.459 3.971 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2132370929 UIPDGBSDKKHPMZ-WMZOPIPTSA-N 455.443 3.581 50 10 JHGE O=C(NC[C@]12CCC[C@@]1(CBr)C2)c1ccc(I)c(O)c1 2208040615 UBDIVRHVJDYUNB-LSDHHAIUSA-N 450.114 3.682 50 10 JHGE O=S(=O)(N[C@H]1CC[C@H]1CBr)c1cc(Br)ccc1Br 2218393884 QYYWLDMIEPEPAP-XVKPBYJWSA-N 462.001 3.663 50 10 JHGE O=C(c1c(F)cccc1I)N1CCC(CI)CC1 2255896090 SGKQTUCFNYDDIO-UHFFFAOYSA-N 473.067 3.718 50 10 JHGE CN([C@H](CBr)c1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2296315493 UKLYERLGSLWXRL-HXUWFJFHSA-N 493.423 3.851 50 10 JHGE C=CCN1C(=O)C(=NNC(=O)c2cc(Br)ccc2O)c2cc(Br)ccc21 2297708626 ZGYXFTJGWPZJLG-UHFFFAOYSA-N 479.128 3.584 50 10 JHGE CC[C@@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1Cc1ccccc1 2325591881 SRKBFCDHBOIRGE-AUSIDOKSSA-N 483.700 3.990 50 10 JHGE Cc1nc2scc(C)n2c1C=NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 2325903147 AKQNGFJBWGTFSG-FZMZJTMJSA-N 468.608 3.620 50 10 JHGE CC(C)(CI)CN1CCN([C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 2326664477 GHOQNVGNLXZIRW-CVEARBPZSA-N 465.420 3.511 50 10 JHGE CN(C[C@@H]1CCC[C@H]1Br)C(=O)c1c(Br)c(Br)nn1C 2338858985 AJJIOHNYPDRMGL-JGVFFNPUSA-N 457.992 3.581 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)COc2cccc3ccccc23)c(Br)c1 13977677 ZLLXBIWDFLGRBK-UHFFFAOYSA-N 457.324 3.770 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)c(Br)c1 13979761 KEXWMIGXDAHFDF-UHFFFAOYSA-N 455.736 3.633 50 10 JHGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 14035390 WAAYPPXIIILQIU-UHFFFAOYSA-N 451.548 3.589 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)Nn2cnc3scc(-c4cccs4)c3c2=O)c1C 96943636 YTYRWAOJVFOOLT-YVLHZVERSA-N 479.587 3.929 50 10 JHGE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NNC(=O)Cc1c[nH]c2ccccc12 107528193 CGKGECQEPRKSQG-UHFFFAOYSA-N 469.467 3.922 50 10 JHGE CCCCc1ccc(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 217171477 RRIGGKJHWLGZJE-QOCHGBHMSA-N 466.607 3.690 50 10 JHGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)c1 254300466 ZUWICODUJLKNPP-UHFFFAOYSA-N 470.570 3.766 50 10 JHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)[C@@H](Br)C2=O 256019011 FYELTTJDBIWOAE-KYNGSXCRSA-N 492.197 3.679 50 10 JHGE CC(=O)[C@@H](Br)c1ccc(I)cc1I 306791261 XASCNUUSDFBZDI-SECBINFHSA-N 464.866 3.921 50 10 JHGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)cc1 1084026490 OXELZOOKJTYMEV-GOSISDBHSA-N 477.373 3.723 50 10 JHGE CN(C)c1ccc(-n2cccc2C=NNC(=O)COc2ccccc2I)cc1 1084082559 RURKWQSZGSNBQJ-UHFFFAOYSA-N 488.329 3.677 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCC(=O)OCC 1084206361 MEWICTFJIPAECZ-JOCHJYFZSA-N 468.550 3.720 50 10 JHGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 1084420431 BZHUYQWUDCZYCK-UHFFFAOYSA-N 458.971 3.664 50 10 JHGE COc1cc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc(F)cc3)cc2)cc(OC)c1OC 1084491673 ISDISDQESLEBCJ-UHFFFAOYSA-N 451.454 3.868 50 10 JHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1cc(Br)c(O)c(Br)c1 1084629603 MVIIGQORNXSCAO-UHFFFAOYSA-N 457.078 3.518 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1 1215600954 WZWGVJAOAKVFPF-GFCCVEGCSA-N 457.380 3.590 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)cc1 1465641574 JQFSOWYTWZGONP-HEJPQYQCSA-N 459.568 3.557 50 10 JHGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746958 JJEDDQWWQJUEII-UHFFFAOYSA-N 452.511 3.768 50 10 JHGE CCCC[C@H](NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(SC#N)cc1 1867289624 DWMLHDIZTCNKJU-KRWDZBQOSA-N 470.517 3.674 50 10 JHGE Clc1ccc(COCCOCCI)c(I)c1 1904655934 NBKVUMVJBWFGTP-UHFFFAOYSA-N 466.484 3.913 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1cc(Br)sc1C 2081252823 BDKZVXLOUZBTLH-CBAPKCEASA-N 466.204 3.947 50 10 JHGE C[C@@]1(CCl)COCCN1C(=O)c1cc(Br)ccc1I 2112716637 SEGUMLRNMRSYNX-CYBMUJFWSA-N 458.521 3.524 50 10 JHGE ClC[C@H]1C[C@H]2[C@@H](C1)OCCN2c1ncc(I)cc1Br 2135045444 KVRJTUVSNAAEIZ-KPXOXKRLSA-N 457.537 3.671 50 10 JHGE O=S(=O)(NC[C@H](CBr)C(F)(F)F)c1c(Cl)cccc1Br 2161574207 CVUDATOLOMDYJM-LURJTMIESA-N 459.509 3.954 50 10 JHGE C[C@@H](Br)C[C@H]1COCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2185297568 OINGQBRJAGMKFS-SFYZADRCSA-N 467.632 3.727 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CC[C@]2(C[C@H](Br)CO2)C1 2201762161 FCKQMTCACQNRRH-HZMBPMFUSA-N 467.983 3.980 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[C@H]1Br 2221677940 OTIAKLPXEFFCHM-CFVMTHIKSA-N 476.209 3.785 50 10 JHGE COc1ccc(NS(=O)(=O)CCC(CCl)CCl)cc1I 2280474986 UTKAQYMFSWTZRF-UHFFFAOYSA-N 452.141 3.525 50 10 JHGE COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)ccc1OC(C)=O 2296472981 DUJJKOADWSVBFF-UHFFFAOYSA-N 463.515 3.603 50 10 JHGE COc1ccc(OCC(=O)NN=Cc2c(C)[nH]c3ccccc23)c(I)c1 2297708326 WOACEJNIVHRBAP-UHFFFAOYSA-N 463.275 3.619 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)c(Br)c1 2313864396 MEHNMZPZYTYJBI-UHFFFAOYSA-N 496.814 3.779 50 10 JHGE Clc1ccc(CN2C[C@@H]3[C@@H](CBr)CO[C@H]3C2)c(I)c1 2341013146 SIUJICRCDHXUTK-SUHUHFCYSA-N 456.549 3.786 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1CCC(CBr)CC1 2364194117 BTPZHNVDBOSJKM-UHFFFAOYSA-N 499.471 3.964 50 10 JHGE O=C(NNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1)c1ccc(Cl)cc1 27638516 QXASTLDOQUMFAT-UHFFFAOYSA-N 478.961 3.656 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(OC)cc1OC 58990045 IUFGFBNWSQQOGD-PCLIKHOPSA-N 465.579 3.509 50 10 JHGE COc1ccc(/C=C(/C#N)C(=O)NCc2ccccn2)cc1Cn1nc(C)c(Br)c1C 96507898 FPEARZXLTMWMQM-ZDLGFXPLSA-N 480.366 3.938 50 10 JHGE COc1ccc(C(=O)NNC(=O)CCCSc2ccc(Br)cc2)c(OC)c1 730969289 GMXCMKHECBRFJA-UHFFFAOYSA-N 453.358 3.800 50 10 JHGE COc1cc(OC)c(C=NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1Br 1084079225 OWMOVAWQYWUZSI-UHFFFAOYSA-N 462.344 3.952 50 10 JHGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@@H]1C[C@H]1c1cccc(Br)c1 1116006156 FGVKGAIEWVFEFP-LSDHHAIUSA-N 453.134 3.712 50 10 JHGE CC(=O)N1CCN(c2cccc(NC(=O)[C@@]3(c4ccccc4)C[C@@H]3Br)c2C)C1=O 1157683161 NVIZUJDJSGVNEM-SIKLNZKXSA-N 456.340 3.827 50 10 JHGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2O)cc1 1865695725 GWHWTRJWVQVBTP-LJQANCHMSA-N 453.296 3.876 50 10 JHGE Cc1cc(S(=O)(=O)N2CCC(CI)CC2)sc1Br 2037335471 CKDNTEJINXJCDE-UHFFFAOYSA-N 464.188 3.655 50 10 JHGE COC(=O)[C@H](Br)CNc1ccc(C(F)(F)F)cc1I 2139276479 NJACDJMAFUGTCP-SSDOTTSWSA-N 452.008 3.658 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@@H]2COC[C@@]2(CBr)C1 2226167813 LZXJVCIWADCLCK-JMCQJSRRSA-N 474.012 3.757 50 10 JHGE O=C(NN=CC=Cc1cccc([N+](=O)[O-])c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293972337 CYNKMMBMMLPNOE-UHFFFAOYSA-N 484.468 3.910 50 10 JHGE CCOc1ccc(NC=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314585741 QVVVBPYZPMYTLD-UHFFFAOYSA-N 461.518 3.850 50 10 JHGE CC(C)(C)OC(=O)N1CCN(CCOCCI)[C@H](c2ccccc2)C1 2326649563 XDZSQSMJBBAVAX-KRWDZBQOSA-N 460.356 3.732 50 10 JHGE C[C@@H](CBr)CC1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338845286 OSMONXZPUHARRY-MRXNPFEDSA-N 485.444 3.526 50 10 JHGE Cc1ccc(I)c(C(=O)NCC(F)(F)C(F)(F)CBr)c1 2361672755 SMXJJLGOXLGNMV-UHFFFAOYSA-N 468.026 3.995 50 10 JHGE Cc1cc(Br)c2c(c1)/C(=N/NC(=O)CCOc1cccc(Br)c1)C(=O)N2 1431069 NDMXLEVYOZGNBB-UHFFFAOYSA-N 481.144 3.762 50 10 JHGE O=C(NC(=S)NNC(=O)c1ccccc1I)c1ccc(Cl)cc1Cl 12501400 CHBPZZGHDIQRMO-UHFFFAOYSA-N 494.141 3.547 50 10 JHGE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NNC(=O)c1cn(C)c2ccccc12 16235589 HLKQDOCLDGEJQD-UHFFFAOYSA-N 483.450 3.644 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38654480 DOXDDHUTVBXDIE-QHCPKHFHSA-N 461.405 3.936 50 10 JHGE CCOc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 40514790 YYCAGPBKPITYIG-DEDYPNTBSA-N 454.523 3.666 50 10 JHGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40657720 CQUKABNMMDHWCA-UHFFFAOYSA-N 497.515 3.725 50 10 JHGE Nc1c(NNC(=O)c2ccc(F)cc2)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 40729927 DDJUTDGYFMMTRF-UHFFFAOYSA-N 497.578 3.866 50 10 JHGE COc1ccc(CNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccccc3C)c3ccccc32)cc1 102673671 RPUJQSJQUDLWKK-WCWDXBQESA-N 450.498 3.745 50 10 JHGE Cn1nc2c(c1NC(=O)NC[C@@]1(C)C[C@@H](N=C=O)CC(C)(C)C1)CN(C(=O)OC(C)(C)C)CC2 170290796 FFSVUTAUOINROS-FYSMJZIKSA-N 474.606 3.756 50 10 JHGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)c1ccc(Br)cc1 253565798 IEFXZABBHPQGCN-BUVRLJJBSA-N 468.355 3.544 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N=CN3CCOCC3)OC3=C2C(=O)CC(C)(C)C3)cc1OC 254714056 JRUSUBKMUKESOS-JOCHJYFZSA-N 451.523 3.556 50 10 JHGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1ccc(I)c(O)c1 686176087 BVVDBPNQYDETTQ-UORFTKCHSA-N 450.114 3.773 50 10 JHGE CCOc1ccccc1CCNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727941985 NARWRBZOXYCRAJ-UHFFFAOYSA-N 451.498 3.990 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NS(=O)(=O)C2=Cc3ccccc3CC2)c(-c2ccccc2)n1 746426569 BHQPNANUJCWGRS-PXLXIMEGSA-N 483.553 3.804 50 10 JHGE CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 914469774 GZTHBMZPNGDNKT-KQWNVCNZSA-N 478.556 3.922 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2cccc(Cn3cccn3)c2)c(-c2ccccc2)n1 918676918 DMUPLGWUMKRXLU-JLPGSUDCSA-N 461.529 3.932 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCC(=O)OCC 1083914501 MFYHSBXUFDRNIB-QHCPKHFHSA-N 468.550 3.720 50 10 JHGE O=C(COc1ccc(C=NNC(=O)c2ccc(Br)cc2)cc1)NCc1ccco1 1084136402 UBPYCWIVLPOTKD-UHFFFAOYSA-N 456.296 3.501 50 10 JHGE COc1cc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1O 1084332370 UXPVZJFXZHZTSK-UHFFFAOYSA-N 487.965 3.708 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc([N+](=O)[O-])o1 1084427187 BMKXQNVHDAQNCL-UHFFFAOYSA-N 461.066 3.550 50 10 JHGE C/C(=C\C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1C(F)(F)F 1140534714 XQCUWILLXVBLEM-OKFGHLOFSA-N 455.477 3.903 50 10 JHGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1914650348 CCIYMCSNDJVZRS-KRWDZBQOSA-N 493.423 3.678 50 10 JHGE CC(C)(C)OC(=O)NCC1(NC(=O)[C@H]2C[C@@H](Br)C2)CCN(Cc2ccccc2)CC1 1991427940 RBTKYHSURKMDQK-KDURUIRLSA-N 480.447 3.836 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H](F)[C@H](CBr)C1 2056989240 IPYGFAKSLJLBQS-HQJQHLMTSA-N 490.936 3.859 50 10 JHGE N#CC(=Cc1ccccc1)C(=O)N1CCN(c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 2077614728 NMLMPPBTNUOUSQ-UHFFFAOYSA-N 478.618 3.553 50 10 JHGE O=S(=O)(c1ccc(CCl)c(Br)c1)N1CC2(CN(Cc3ccccc3)C2)C1 2088577780 SPPNKRWXYMTEQW-UHFFFAOYSA-N 455.805 3.694 50 10 JHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1cc(Br)cc(Br)c1 2097944849 HGMXQOLXSJZZEP-SKDRFNHKSA-N 455.972 3.884 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NCC2(CBr)CCCC2)CC1 2107389056 GRCHGPIKOKXDGZ-SANMLTNESA-N 452.459 3.897 50 10 JHGE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162602300 OKVBMQRCHNKCFG-DOTOQJQBSA-N 461.422 3.895 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCN(CCCBr)CC1 2169923227 NBVZJIJMHQTZND-UHFFFAOYSA-N 469.015 3.754 50 10 JHGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccn1 2179818544 AWWBTTNBWLYSSV-LJQANCHMSA-N 452.418 3.652 50 10 JHGE O=S(=O)([C@@H](CBr)C1CC1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179831716 AFLHFGZIOFKVCV-SFTDATJTSA-N 455.462 3.868 50 10 JHGE CCN(CCOCCBr)C(=O)c1ccc(Cl)c(I)c1 2268347376 LPWRWNLRVPMJAO-UHFFFAOYSA-N 460.537 3.818 50 10 JHGE C[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@@H](CBr)O1 2295307664 MVEVDIXOFCRNER-TVQRCGJNSA-N 469.999 3.765 50 10 JHGE COc1cccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1OC 2295489466 GJZASIPJQLZDLS-UHFFFAOYSA-N 472.545 3.691 50 10 JHGE CN1CCC[C@@]1(C)CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2300071827 CYNIOPSXVNTMBP-ROUUACIJSA-N 452.377 3.692 50 10 JHGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(CC)CC)c1 2314476772 VORIHMIXBKJIGI-UHFFFAOYSA-N 489.601 3.779 50 10 JHGE C[C@@H]1C[C@H](Br)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338840469 NDDYBNTYFXJCAL-IAGOWNOFSA-N 485.444 3.668 50 10 JHGE C[C@@H](Br)C1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2338852030 KFFMMXQPIUOFBU-MRXNPFEDSA-N 485.444 3.668 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2)c(C(C)C)cc1Br 12490293 QZRQVLKNSZRNIA-UHFFFAOYSA-N 476.371 3.826 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Cl 14654083 XYDJWCFLARJLEH-UHFFFAOYSA-N 470.776 3.841 50 10 JHGE CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3ccc(Cl)cc3)cc2)cc1 15985983 BXJUTKFWPUOXAO-UHFFFAOYSA-N 471.922 3.830 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 15985999 QWTHCJLEDVZWJN-UHFFFAOYSA-N 488.949 3.954 50 10 JHGE aggregator Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1cccc2cccnc12 40758372 FQAHYONFSWXANZ-UHFFFAOYSA-N 450.300 3.870 50 10 JHGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1 40935649 OOGPENKWASJNRR-XDJHFCHBSA-N 460.486 3.919 50 10 JHGE CC(C)n1nc(C(=O)N/N=C(/CCC(=O)O)c2ccc(Br)cc2)c2ccccc2c1=O 96708690 BMSUYFVKZVPFTB-MOHJPFBDSA-N 485.338 3.739 50 10 JHGE O=C(NNc1nc(-c2ccncc2)no1)c1cccnc1Oc1ccc(F)cc1Br 110330568 SHIUNQVMTVZOOT-UHFFFAOYSA-N 471.246 3.977 50 10 JHGE CCOc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1O 254713187 BYMPZSGVOWACKY-UHFFFAOYSA-N 462.531 3.688 50 10 JHGE Cc1csc([C@H](C)NC(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)n1 727942593 ROURIHIZBVOYDM-ZDUSSCGKSA-N 493.998 3.611 50 10 JHGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)NCCc2ccccc2)cc1OC 915844152 FSBPULDZWHWEAI-QNGOZBTKSA-N 455.518 3.747 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(CBr)cc1 1260513956 OSCYHJMRLSSAPI-UHFFFAOYSA-N 485.491 3.766 50 10 JHGE COC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748566 AXFVGNXLUKCKPF-GFCCVEGCSA-N 482.364 3.895 50 10 JHGE CCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)c(C)n2)cc1 1865759021 ZCYZAULBOMCMLU-UHFFFAOYSA-N 470.529 3.699 50 10 JHGE CCC[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866626788 OUNMMONQFQLNEZ-NRFANRHFSA-N 486.619 3.727 50 10 JHGE C[C@@H](CCl)CS(=O)(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1955856314 FJSXBJFFURPVBG-INIZCTEOSA-N 466.987 3.641 50 10 JHGE COC(=O)Cc1c(I)ccc(OC(F)(F)F)c1CBr 2055375676 PUACKSLWEPIBEH-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE COCC(CCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)COC 2067240174 CMUZWBWSNFGGGE-SFHVURJKSA-N 471.376 3.507 50 10 JHGE O=C(NCC1(F)CCC(CBr)CC1)c1cc(I)sn1 2122080071 UBPNVQBIHWZLHI-UHFFFAOYSA-N 461.138 3.771 50 10 JHGE Cc1cccc([C@H](Br)CS(=O)(=O)N2CCCCC2)c1I 2145635068 DXVBWHUYTQTTPS-CYBMUJFWSA-N 472.186 3.851 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](Cl)C(F)(F)C2)cc1Br 2152096918 BOSUBFXZCZUAQJ-SNVBAGLBSA-N 453.530 3.767 50 10 JHGE CC1(C)[C@@H](CCl)OCCN1C(=O)c1cc(I)ccc1Br 2159645198 WRLXECYPNQAMAA-GFCCVEGCSA-N 472.548 3.912 50 10 JHGE CC1(C)C[C@@H](CBr)CN(C(=O)c2cc(I)ccc2O)C1 2172584458 CPASNHHANTVYNP-JTQLQIEISA-N 452.130 3.880 50 10 JHGE CCOC1(CBr)CN(c2ncc(C(F)(F)F)cc2I)C1 2172974076 LZTGPXLNBPGQCQ-UHFFFAOYSA-N 465.051 3.695 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179869398 XLIDELSPEFGNKK-MSOLQXFVSA-N 453.402 3.707 50 10 JHGE CC1CC(CBr)(CN=[S@@](C)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)C1 2265306109 NLXIWWDXQUTVBL-TZDODDRJSA-N 452.459 3.753 50 10 JHGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1Br 2313616877 HMYCFGHWWQDUGB-UHFFFAOYSA-N 484.375 3.960 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccs2)c(Br)c1 2313624994 KUQKONVOVQJRBD-UHFFFAOYSA-N 482.425 3.748 50 10 JHGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 10295233 WNNJNINSYPZKBE-GFCCVEGCSA-N 470.378 3.885 50 10 JHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 14029131 QTCJDSKRMTVAPF-UHFFFAOYSA-N 489.594 3.621 50 10 JHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1Br 14037254 MXQSEXMTQSBJJQ-UHFFFAOYSA-N 494.411 3.832 50 10 JHGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC(C)C 14668717 DRAMVWMDEGMCHS-UHFFFAOYSA-N 494.411 3.974 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38683327 CNOUSGVZWJYPCZ-VWLOTQADSA-N 486.480 3.684 50 10 JHGE O[C@H](CCl)COc1c(I)cc(Cl)cc1I 308966606 MTXGSDAGVULCOJ-ZCFIWIBFSA-N 472.875 3.528 50 10 JHGE O=S(=O)(NCCCCCCI)c1cc(Br)cs1 310384307 QAVFMSMBZXDKIQ-UHFFFAOYSA-N 452.177 3.784 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCSC[C@H]1CCl 387953913 WYLCVCIZOXFXOB-SECBINFHSA-N 460.562 3.850 50 10 JHGE COc1ccc(C(=O)NCCNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 917727186 FZBGMCZBELAYHZ-QNGOZBTKSA-N 460.509 3.695 50 10 JHGE COCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 1084199387 NSHWOOAGFNUBNG-UHFFFAOYSA-N 492.538 3.938 50 10 JHGE C=C1CCC(CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)CC1 1558259551 AIEQNYPSAFYXFK-XDHOZWIPSA-N 451.958 3.848 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(C)c2O)cc1OC 1565517995 VCYLPJIWHYHYBT-VFGUMFSQSA-N 459.502 3.639 50 10 JHGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748794 UEWRHJVCQSSOKE-UHFFFAOYSA-N 463.365 3.753 50 10 JHGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3)c(C)c21 1772750102 XNONKSOELBNEMK-UHFFFAOYSA-N 468.897 3.688 50 10 JHGE CCOC(=O)c1c(OC(F)(F)F)cnc(CBr)c1I 1848387814 XOXJOTRATRMUON-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccccc3OC)nc2C)CC1=O 1865759971 APFNBHSYSHQCLY-FQEVSTJZSA-N 486.572 3.751 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c(=O)c2c1-c1ccccc1 1865851913 KGIIJZFRWCMTPS-CQSZACIVSA-N 496.976 3.702 50 10 JHGE O=C(NC[C@@H]1C[C@H]1Br)c1cc(Br)ccc1I 1897147019 GIYLLWUCQKIHED-IMTBSYHQSA-N 458.919 3.567 50 10 JHGE C[C@@H]([C@H](Br)c1cc(Cl)ccc1I)S(=O)(=O)N(C)C 2029073628 FVUOJDWYYIDDLF-CPCISQLKSA-N 466.566 3.661 50 10 JHGE BrCCCO[C@@H]1CCN(c2ncc(I)cc2Br)C1 2085963929 REGZTAGHNVGZAK-SNVBAGLBSA-N 489.977 3.829 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@@H]2[C@@H]1CBr 2086146968 HHNSEWOFUONTSV-JWYUURKGSA-N 484.957 3.909 50 10 JHGE C[C@H](Cl)C[C@H]1COCCN1C(=O)c1cc(I)ccc1Br 2185317950 IDVHKHFUOSWHTD-ONGXEEELSA-N 472.548 3.912 50 10 JHGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(Br)ccc1[N+](=O)[O-] 2201198042 INTWZAJBVOKBJZ-GZMMTYOYSA-N 455.090 3.937 50 10 JHGE Cc1ccc(I)c(C(=O)N2C[C@H](Br)[C@H](Br)C2)c1 2217409138 OYDHEERXSGNGMA-AOOOYVTPSA-N 472.946 3.582 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[C@@H]1Br 2221677942 OTIAKLPXEFFCHM-SNPRPXQTSA-N 476.209 3.785 50 10 JHGE Clc1cc(CN2C[C@@H]3COC[C@]3(CBr)C2)ccc1I 2226177477 XMLWRMWJNZJITG-RISCZKNCSA-N 456.549 3.788 50 10 JHGE Cc1nn(-c2ccccc2)c(C)c1C=C(C#N)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1C 2297487205 VYZWTYGBCNVQJP-UHFFFAOYSA-N 459.462 3.795 50 10 JHGE C=CC[C@](C)(CBr)CNC(=O)c1c(Br)c(Br)nn1C 2338681735 YTUAHBWMZFAQTD-GFCCVEGCSA-N 457.992 3.652 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(Br)c1 10401747 MHQCUSGKBOQKRK-RMKNXTFCSA-N 462.300 3.720 50 10 JHGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 10471885 IIIFVLIHHZLLFI-UHFFFAOYSA-N 463.559 3.855 50 10 JHGE Cc1ccc(OCCn2cc(/C=C(/C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)cc1 33932588 PEPYIQQBXVEOHZ-PGMHBOJBSA-N 456.546 3.660 50 10 JHGE Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(C(=O)[C@H](C)Cl)CC3)c12 35912719 SVLWUQJOIZVUHW-KRWDZBQOSA-N 455.006 3.988 50 10 JHGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N2CCOCC2)ccc1Cl 102847899 YRUQPBRNCORNAG-LGMDPLHJSA-N 464.909 3.523 50 10 JHGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NNC(=O)c2ccccc2)cc1 205963779 WNGDSOQWQVCDNU-CJLVFECKSA-N 471.473 3.563 50 10 JHGE O=C(NN=Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cc2ccccc2cc1O 254406223 FZYADARAYGWGLY-UHFFFAOYSA-N 491.481 3.985 50 10 JHGE Cn1cc(C=NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c2ccc(F)cc2)N3)cn1 254507086 XAFFDTKFPBFLRM-GOEBONIOSA-N 485.392 3.815 50 10 JHGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)c1CSc1ccccc1 263629003 NUDRKOBUGUHRAF-UHFFFAOYSA-N 496.556 3.956 50 10 JHGE O=C(NN=Cc1ccccc1OS(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1081098307 YSDWHGDWKNUUFJ-UHFFFAOYSA-N 459.321 3.981 50 10 JHGE C#CC[C@@]1(C(=O)NNc2c(F)cc(F)cc2Br)CCCN1C(=O)OC(C)(C)C 1523586850 NGKXNVUYCVIACG-IBGZPJMESA-N 458.303 3.963 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746223 SGVTUIXBJZMYBV-UHFFFAOYSA-N 482.899 3.926 50 10 JHGE N#CSc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 1858624689 ANMQOSFFUYPZDY-UHFFFAOYSA-N 481.397 3.561 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(Br)cc(OC)c1OC 1873794691 VJXISJLPKUZZJN-SGVISILNSA-N 472.380 3.856 50 10 JHGE C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[C@H](CBr)NC(=O)OC(C)(C)C 1882088777 UMRXZXZQABWLLY-ILXRZTDVSA-N 451.402 3.937 50 10 JHGE C[C@@H]([C@H](Br)c1scc(Br)c1Br)S(=O)(=O)N(C)C 1941960164 OODNOERWMGTGMQ-FSPLSTOPSA-N 470.046 3.989 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1cc(C)c(Br)s1 2081254487 ZMQWVSZCUBYFEM-VXNVDRBHSA-N 466.204 3.947 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CCC([C@H](F)CBr)CC1 2163245079 JXWPMKZZGDCDBJ-LLVKDONJSA-N 456.093 3.582 50 10 JHGE C[C@H](Br)[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)CCO1 2174154886 ZGJRPAHQWVAEMS-XVKPBYJWSA-N 465.051 3.694 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1CCOC[C@@H](CBr)C1 2295308117 SVOIKUTWNFFTBR-NSHDSACASA-N 469.999 3.624 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H]2OCC[C@]2(CBr)C1 2296380005 GSSJFYJUOHTKTE-RISCZKNCSA-N 467.983 3.838 50 10 JHGE COc1ccc(C(C#N)=Cc2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 2320506898 UICNIJUHDCRBFV-UHFFFAOYSA-N 468.465 3.970 50 10 JHGE O=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)c1cc(-c2cccs2)nc(O)n1 2323701486 RGPWYPCDQTUKTN-UHFFFAOYSA-N 450.501 3.955 50 10 JHGE CCCOc1ccc([C@H](CC(=O)O)NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)cc1OC 2329700289 JXJVYYHHDXWLDQ-IBGZPJMESA-N 468.506 3.740 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCCC[C@@H]1CBr 2338859048 BETQBIDDPNFGEZ-SFYZADRCSA-N 457.992 3.629 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779792 ZKYBFHJEIOMAPB-UHFFFAOYSA-N 476.154 3.924 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(C)c1 12403483 OVKAJTSKAWVPDD-UHFFFAOYSA-N 463.372 3.969 50 10 JHGE O=C(NNC(=O)c1ccccc1Br)c1ccc(OCCOc2ccccc2)cc1 14039529 PVFQEWPBPDRKQW-UHFFFAOYSA-N 455.308 3.982 50 10 JHGE O=C(/C=C\c1ccccc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 33404180 XQKFNUCVPLIKBR-QINSGFPZSA-N 478.961 3.941 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccccc2)cc1 34943084 WCAAYBRILVWNIT-WJDWOHSUSA-N 458.543 3.596 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812126 PHGGHWRPUAYGQB-OVVQPSECSA-N 461.474 3.788 50 10 JHGE COc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] 59332876 PRHVFIQETPRWDR-LFIBNONCSA-N 471.311 3.622 50 10 JHGE O=C(NC[C@@H](Br)C1CC1)c1cc(I)ccc1Br 232475085 IEBAYKCWRXDNEE-LLVKDONJSA-N 472.946 3.957 50 10 JHGE O=C(NCCCCCCI)c1cc(I)ccc1O 236569972 YUECKSMIYCKYBA-UHFFFAOYSA-N 473.092 3.722 50 10 JHGE Cc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 254291623 GZBQBDOLLVGOGH-UHFFFAOYSA-N 478.417 3.560 50 10 JHGE COc1ccc(CCNC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1OC 725381784 YYKWMZLUHGMDTH-UHFFFAOYSA-N 482.968 3.574 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 920853079 IAWLDAGDIZGVPP-ALDSOSFCSA-N 457.534 3.527 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(O)c(Br)c1 1873795151 UJGWKQWFAZIZDT-WQGFDPGOSA-N 462.344 3.741 50 10 JHGE O=S(=O)(CI)Nc1c(Br)cc(Cl)cc1Br 1910154321 LVYDNNILSIXKQN-UHFFFAOYSA-N 489.354 3.999 50 10 JHGE Oc1ncnc(N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1I 1915169031 CWXDCEOAPDTFLC-ZDUSSCGKSA-N 474.140 3.967 50 10 JHGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)nn1C 1915310096 WWBHNUZNROIPPJ-AWEZNQCLSA-N 479.238 3.793 50 10 JHGE C[C@H]([C@@H](Cl)c1cc(I)ccc1Br)S(=O)(=O)N(C)C 2029075193 POJPLVLQDQKKIQ-RDDDGLTNSA-N 466.566 3.614 50 10 JHGE O=C(OCc1ccccc1)N1CCC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2044257396 MJBIMUFNXQKSCX-GOSISDBHSA-N 467.385 3.661 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@@H](Br)C2(CCCCC2)C1 2120030009 AVNORHLWYWDKCK-SNVBAGLBSA-N 455.159 3.918 50 10 JHGE CN(C(=O)c1ccc(F)cc1I)[C@@H](CCBr)C(F)F 2121995515 NOZKUYXRWJPIPH-JTQLQIEISA-N 450.036 3.921 50 10 JHGE CCN1CCC[C@@H]([C@@H](Br)c2cc(I)ccc2F)S1(=O)=O 2169659936 XNMPFKYTJLEWSE-STQMWFEESA-N 476.149 3.680 50 10 JHGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(CCBr)cc2)C1 2179787518 QCYQJGPESFCOAC-FQEVSTJZSA-N 451.430 3.909 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185294048 RYQAJADVSODYFH-JIMOISOXSA-N 470.532 3.712 50 10 JHGE COc1ccc(CCl)c(-n2c(C)nc(I)c2I)n1 2223436491 RTVOSYYDLARSFL-UHFFFAOYSA-N 489.482 3.532 50 10 JHGE CN([C@H](CCBr)C(F)(F)F)S(=O)(=O)Cc1ccsc1Br 2234498002 UUYBELPEYIQGRZ-MRVPVSSYSA-N 459.147 3.988 50 10 JHGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H](NS(=O)(=O)c3ccc(CBr)cc3)[C@H]1CC2 2238196241 PLZDIEZQZMPRIB-BHYGNILZSA-N 459.406 3.790 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H]1COc2ccccc2O1 2314754931 IYTXCSHXWHMDTC-DEOSSOPVSA-N 474.469 3.647 50 10 JHGE CCOc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OC 2325904596 DTFCPVWKMJBZMC-UHFFFAOYSA-N 476.558 3.991 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 12580777 MQMLEABMTXAOFJ-LLVKDONJSA-N 458.729 3.980 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c(C)c1 14644181 PGKGQMLLWNWDID-ZDUSSCGKSA-N 455.736 3.713 50 10 JHGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccccc1I 14665618 NIOFIXPIXFPPDP-ZDUSSCGKSA-N 466.319 3.817 50 10 JHGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)c2C)cc1 207422163 BFNCULMWGQHWPB-AMUNLKFJSA-N 474.536 3.609 50 10 JHGE FC(F)(F)Oc1c(CCl)ncc(I)c1I 396157380 GBPXQGZIINGDTL-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE CC(=O)OCC(=O)[C@]1(OO)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](OC(C)=O)C[C@]21C 504102483 OUZLVNAZQRKHBA-QOEAWNPISA-N 492.540 3.535 50 10 JHGE O=C(NC1(CCBr)CCSCC1)c1cc(I)ccc1O 719664697 GOGCCMXWLGVRBN-UHFFFAOYSA-N 470.170 3.777 50 10 JHGE C#CCOc1ccc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 1083965800 HZHVCIZMIVOLTG-HXUWFJFHSA-N 459.340 3.824 50 10 JHGE CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c(F)c1 1624996778 ABOXHMSFEIMPRY-UHFFFAOYSA-N 452.511 3.802 50 10 JHGE C=C(Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(C)C(=O)OC 1640411421 ODSWDJBMFUSXJJ-HXUWFJFHSA-N 457.914 3.766 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743983 NMTDSUDCKGGCHN-UHFFFAOYSA-N 482.899 3.926 50 10 JHGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21 1772752426 KOOUXIQBRBEUAH-UHFFFAOYSA-N 489.326 3.793 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712116 PUBARLMAVCLZFC-GOSISDBHSA-N 499.405 3.848 50 10 JHGE CC(C)(C)OC(=O)N(CCNC(=O)N1CCC(Br)CC1)OCc1ccccc1 1955847823 HHCMRHNEWDBKNK-UHFFFAOYSA-N 456.381 3.924 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CCSSCC1 2059264920 MQYXMAZPPQZHSL-UHFFFAOYSA-N 453.268 3.791 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N2C[C@H](Br)[C@@H](Br)C2)c1Br 2075314160 RVCJMCBQKOCFEV-YUMQZZPRSA-N 482.057 3.659 50 10 JHGE COC(=O)c1cnc(NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1 2125302833 YDAIIZWGRMQHLY-UHFFFAOYSA-N 466.423 3.949 50 10 JHGE CN1CCN(Cc2ccc(I)c(Cl)c2)[C@@H](CCBr)C1 2142952289 GUEJYBUDQUMHCN-LBPRGKRZSA-N 457.581 3.846 50 10 JHGE O=C(c1ccc(F)cc1I)N1CC[C@@H](CBr)C(F)(F)C1 2146375320 LRIVZNTUALHXQG-QMMMGPOBSA-N 462.047 3.923 50 10 JHGE Cn1nc(-n2c(CCCl)nc3cc(I)ccc32)cc1Br 2155773471 VWIRAYLCPZWWIW-UHFFFAOYSA-N 465.520 3.907 50 10 JHGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)CC2 2163051904 XSQQFVCPQBYELP-HOTGVXAUSA-N 459.406 3.744 50 10 JHGE C[C@@H]1[C@H](CN(C)S(=O)(=O)c2cc(CBr)sc2Br)C1(F)F 2179789435 QKHMUVRGNZQLPD-SVRRBLITSA-N 453.168 3.927 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179828652 SHDQGXUBVARHMY-MOPGFXCFSA-N 453.402 3.850 50 10 JHGE O=C(c1ccc(F)cc1I)N1CC[C@@H](C(F)(F)CBr)C1 2197762927 KRVVJNFERSXPGR-MRVPVSSYSA-N 462.047 3.923 50 10 JHGE CO[C@@H]1CN(C(=O)c2scc(Br)c2Br)[C@@H](CBr)[C@H]1OC 2233356504 UZXLHQZRYSNWKL-QXFUBDJGSA-N 492.027 3.522 50 10 JHGE COC[C@@](C)(CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277934365 HWNGRVIDNUKUPF-CYBMUJFWSA-N 457.988 3.670 50 10 JHGE NNC(=O)c1cc(Br)cc(Br)c1NC(=O)Cc1ccc(Cl)cc1 2295356129 MUKOCGSLBMPLBT-UHFFFAOYSA-N 461.541 3.650 50 10 JHGE CC(C)CN(C[C@@H](C)Br)C(=O)c1c(Br)c(Br)nn1C 2338863719 NJTWKVVMEHGASK-MRVPVSSYSA-N 460.008 3.827 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@@H]2COC3(CCC3)CO2)C1 2339384301 OLVNUASYYJCEAT-KXBFYZLASA-N 481.371 3.546 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361446511 NHHCARWWRIYORS-HTRCEHHLSA-N 457.131 3.990 50 10 JHGE O=C(/C=C\c1ccccc1[N+](=O)[O-])NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 213064635 FXRBQBHSGXMBPI-NXVVXOECSA-N 453.458 3.922 50 10 JHGE CN([C@H]1COC[C@@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 709433748 ZUMFRYNYCKGRSN-XVKPBYJWSA-N 467.994 3.539 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(C)c1C 1083944838 FOWBVENGBLOZLB-INIZCTEOSA-N 487.033 3.711 50 10 JHGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 1290198165 BUJNYZWBDZQZQF-GOSISDBHSA-N 453.967 3.908 50 10 JHGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3Cl)c(C)c21 1772745815 IGOARSWVODSMHK-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)CC1=O 1865757088 MLPVJOXKYVHJNM-NRFANRHFSA-N 486.572 3.751 50 10 JHGE O=C(NC[C@H]1C[C@H]1Br)c1cc(Br)ccc1I 1897148450 GIYLLWUCQKIHED-HZGVNTEJSA-N 458.919 3.567 50 10 JHGE CC(C)(CI)CN=[S@@]1(=O)CCN(C(=O)OC(C)(C)C)CC1(C)C 1904649144 QEBYCNXXDXMZFZ-HSZRJFAPSA-N 458.406 3.945 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCBr)C1COC1 1915543229 QQASKQFKUJTZKO-UHFFFAOYSA-N 467.994 3.540 50 10 JHGE O=C(NC[C@@H]1C[C@@H]1Br)c1cc(I)ccc1Br 1991445915 XVZJMLBBSSQFQW-WKEGUHRASA-N 458.919 3.567 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@@H]2CBr)cc1Br 2039791987 MHKCYEIOVQLTLM-XCBNKYQSSA-N 462.001 3.582 50 10 JHGE CCOc1c(C(=O)CCl)ccc(I)c1I 2060134178 SBUSIMUDXCSAOB-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE O=C(CCSSc1ccccn1)NCCOCCNC(=O)CCSSc1ccccn1 2084273071 UROONHLUBJDMOZ-UHFFFAOYSA-N 498.721 3.687 50 10 JHGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cc(I)ccc1F 2113359196 ZAOAWQHJSLUUAK-LLVKDONJSA-N 464.138 3.538 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)N2CCC(Br)CC2)CC[C@H]1C(F)(F)F 2163051238 RBWYRYFWUGSAHT-CHWSQXEVSA-N 458.319 3.743 50 10 JHGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)N1CCCC[C@@H]1CBr 2179820372 XKSDUMOATFMAFH-QRVBRYPASA-N 459.450 3.796 50 10 JHGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(CCN(C)C)Cc1ccccc1 2179826833 XKGMTBVHDCOQNY-UHFFFAOYSA-N 475.836 3.996 50 10 JHGE CCOc1ccc(S(=O)(=O)N2CC[C@@H](OCc3ccccc3)C2)cc1CBr 2179830755 OKOBOPFZDXTTGC-GOSISDBHSA-N 454.386 3.960 50 10 JHGE CN(Cc1nn(C)nc1Br)c1cc(Br)ccc1CBr 2226955065 HFOVHXAXUFEVOJ-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE C[C@@H](Br)CN(CC(C)(C)C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2272439438 QASOVGFQBRUYAP-OAHLLOKOSA-N 487.460 3.770 50 10 JHGE C[C@H]1COCCN1CCO[C@H](CI)c1ccc(Br)cc1 2285505997 FRRSKPJQMCQUHX-SWLSCSKDSA-N 454.146 3.663 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2COCC2(C)C)C1 2301193704 DNIYBMLJEJLOTO-RDTXWAMCSA-N 453.361 3.880 50 10 JHGE Cc1nn(C)c(C(=O)N[C@H](CCBr)COCc2ccccc2)c1Br 2303537088 DBBBXOUZWFUWAL-CQSZACIVSA-N 459.182 3.591 50 10 JHGE Cc1cc(CSc2cc(I)ccc2Br)oc1C(=O)NN 2363643368 KNZKCDLGJIUNTL-UHFFFAOYSA-N 467.126 3.851 50 10 JHGE C[C@@H](Br)C12CCC(CC1)N2S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364216499 ONPLZBUNQBFFJB-CSZIGFGKSA-N 497.455 3.953 50 10 JHGE CCOCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 9819835 BQKOQMCCKBDVOZ-UHFFFAOYSA-N 461.518 3.737 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCC(C)C 14035310 DKBVXLMASDRWCT-KRWDZBQOSA-N 457.596 3.949 50 10 JHGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OCC)c1 40867191 KKNHYMUAVCTXGA-VIZOYTHASA-N 455.379 3.591 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618895 USNBMYWMAWIORX-ZTKZIYFRSA-N 481.512 3.681 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)c2ccc(Br)cc2)C1 118671765 XVMYDZLIULBUKW-NSHDSACASA-N 475.040 3.911 50 10 JHGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccccc2OCC)c(OC)c1 207137939 QGDAPYNFTSWIAI-RGEXLXHISA-N 452.507 3.902 50 10 JHGE O=C(NNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1)c1cc(Br)c[nH]1 250113278 KKLHUSNBIOEEEN-RZAIGCCYSA-N 493.789 3.665 50 10 JHGE O=C(NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc(Br)s1 727473133 GCVPJJWANLQMJH-INIZCTEOSA-N 497.802 3.966 50 10 JHGE O=C(CCOc1ccccc1)NNC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 731361388 IESNSEKOBDYVRF-UHFFFAOYSA-N 465.381 3.757 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1 761399707 BUSNTDPPBHZWHO-UWCCDQBKSA-N 474.908 3.990 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)c1C 853510908 HYCJQBMDNSSUJF-UWCCDQBKSA-N 474.355 3.991 50 10 JHGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1)C1CC1 1562395730 UCOHMGYAGVSEGZ-UHFFFAOYSA-N 452.555 3.861 50 10 JHGE CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)OC)N2C(=O)CCl)cc1OC 1565520095 MNTSIKKEFLCZBA-WZONZLPQSA-N 456.926 3.830 50 10 JHGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710229 RMTRIKVDOORLHE-OAQYLSRUSA-N 477.452 3.530 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c(C)c1 1865852241 QCSVYZPCHJLPIR-UHFFFAOYSA-N 474.586 3.912 50 10 JHGE C[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866628704 VGRRZOKTYSGLMO-AWEZNQCLSA-N 493.010 3.600 50 10 JHGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2cc(Br)cc(CCl)c2F)C1 1914231080 XQJBROMWFMQCBI-UHFFFAOYSA-N 461.784 3.832 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915152608 QOUFLZOLBULLDY-QFIPXVFZSA-N 475.010 3.912 50 10 JHGE CC1(C)CC[C@@H](Cl)[C@@H](CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1927052275 AGUFHHROGSLHGM-VQIMIIECSA-N 455.020 3.806 50 10 JHGE CN1CC[C@H]([C@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2033094602 MPVNVPCSPYIKEI-KOLCDFICSA-N 462.001 3.682 50 10 JHGE CCOc1cc(I)cc(C(=O)CBr)c1I 2060132570 HDQLCUFUCYWWHH-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(Br)c(Br)s2)[C@@H]1Br 2078738355 PTKAXGMDQRHEIU-XPUUQOCRSA-N 462.001 3.944 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@H]1[C@@H]2CBr 2082887143 GGAGKTLXXOBVLU-LNLATYFQSA-N 484.957 3.909 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)C2(CC2)C1 2093340929 JLLPJUGZQBREOE-NSHDSACASA-N 474.012 3.760 50 10 JHGE CC[C@]1(NS(=O)(=O)CCC(CCl)CCl)CCCN(C(=O)OCc2ccccc2)C1 2106295716 KMHXOKYUDOUVHT-FQEVSTJZSA-N 465.443 3.971 50 10 JHGE CC(C)(C)[C@H](CBr)CN1C(=O)C(=O)c2cc(I)ccc21 2146799902 DRLVQCWLHIHQRJ-SECBINFHSA-N 450.114 3.878 50 10 JHGE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNC(=O)N2CCC(Br)CC2)CC1 2178645238 MSNVXDQCMALMHE-DHFPXDALSA-N 450.393 3.979 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)CCC(F)(F)CBr)C2 2179949576 XUBTXCLDMLBYBR-HDICACEKSA-N 465.404 3.581 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2OCC[C@]2(CCl)C1 2296369783 NVYHJTSBRQAYKF-JSGCOSHPSA-N 470.532 3.524 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1Cc2ccccc2C[C@H]1CBr 2296513241 ZPQXDLNAXNXQTE-ACRUOGEOSA-N 450.398 3.886 50 10 JHGE FC(F)(CI)C(F)(F)CNc1ccc(I)cn1 2299788755 CHSCQFLLWSCPGL-UHFFFAOYSA-N 473.977 3.804 50 10 JHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NC[C@@H]1CCCO1 2314522449 JGPJLCYAJALBQK-QFIPXVFZSA-N 456.502 3.513 50 10 JHGE COc1ccc(CCN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C(C)=C(C#N)C2=O)cc1OC 2314617422 XZNVWMBNTDIBFU-UHFFFAOYSA-N 492.528 3.565 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 2314735726 ZUZLGCBJRHKGDS-UHFFFAOYSA-N 454.533 3.888 50 10 JHGE COc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1OC 2314789544 DBAFLUSJXDWIKF-UHFFFAOYSA-N 452.507 3.682 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](CCl)C2(CCC2)C1 2364194063 BCUYFCQPVIRSMF-KRWDZBQOSA-N 453.004 3.514 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2[C@H](C)CC)cc1 9874138 LFSGDPHJGKUXKO-MSOLQXFVSA-N 456.539 3.761 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 13621194 HSZQIMQZRLVJPA-IUYQLWOBSA-N 463.559 3.741 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 13983652 GMTWSAGIHMDWIZ-CYBMUJFWSA-N 464.385 3.677 50 10 JHGE Cc1cc(-c2ccccc2)nc(SCC(=O)NNC(=O)c2ccc(Br)cc2)n1 28030943 IYJWZBPEJOPXTL-UHFFFAOYSA-N 457.353 3.768 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38654602 XLGOKQPJCFCLOO-OAQYLSRUSA-N 458.386 3.940 50 10 JHGE COc1ccc(COC(=O)N/N=C2/C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1 59166529 OIFLUBUVPDEYBC-ZZIIXHQDSA-N 472.501 3.619 50 10 JHGE CC(C)C(=O)NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 59777211 YWAQEBMGVYXXLN-UHFFFAOYSA-N 474.384 3.592 50 10 JHGE O=C1NCCOc2ccc([C@@H](Br)c3csc(I)c3)cc21 228233650 WTIYASUWBVXTIK-CYBMUJFWSA-N 464.122 3.959 50 10 JHGE O=S(=O)(NCCCCI)c1cc(Br)ccc1Br 232457039 AGDLNKSGORIOFR-UHFFFAOYSA-N 496.990 3.705 50 10 JHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC#N)cc2)c2cccc(C)c2)cc1 252608148 HHEZKNBNYQEFLD-UHFFFAOYSA-N 476.558 3.551 50 10 JHGE CCn1c(SCC(=O)NN=Cc2c[nH]c3ccccc23)nnc1-c1ccc(OC)c(OC)c1 254483241 ZDMYFECKEIDFAQ-UHFFFAOYSA-N 464.551 3.706 50 10 JHGE CCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OCC 254591175 LDRIRJDPRWRRJA-HNNXBMFYSA-N 468.579 3.531 50 10 JHGE Cc1nc2ccc(Cl)cn2c1C(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1 725388091 CBKDGMRVZTXAPR-UHFFFAOYSA-N 489.963 3.798 50 10 JHGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)c3cc(Br)cn3C)c2)cc1 727300532 SWRUUBPUOBAYPN-UHFFFAOYSA-N 498.377 3.963 50 10 JHGE CCCOc1ccc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1OC 727366338 VPNBIMWVSBQCGQ-UHFFFAOYSA-N 468.579 3.771 50 10 JHGE O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1 1084282668 WRFVXSFWNUKXOD-UHFFFAOYSA-N 472.910 3.594 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2ccccc2F)nnc1-c1ccccc1Br 1084385189 LPHQXMLEDAKHNB-UHFFFAOYSA-N 477.363 3.583 50 10 JHGE COc1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 1084627536 IUUAKSGSRJPTIG-UHFFFAOYSA-N 457.939 3.694 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(Cl)ccc2I)[C@H]1Br 1911026391 MRBDGTFOAROJRC-WDEREUQCSA-N 458.521 3.615 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@]2(CC[C@@](C)(CI)O2)C1 1924233018 ARHXQGLWJYXOHV-OKZBNKHCSA-N 451.345 3.919 50 10 JHGE C[C@H](Br)[C@H](C)NC(=O)c1ccc(Br)cc1I 1995285833 LIMPWFZUCSGZNU-BQBZGAKWSA-N 460.935 3.955 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(S(=O)(=O)CCC(F)(F)CBr)C2 2179949578 XUBTXCLDMLBYBR-ROUUACIJSA-N 465.404 3.581 50 10 JHGE O=C(N[C@@H](CBr)CC1CCOCC1)c1ccccc1I 2195487110 WVSXIWRTHPTASW-GFCCVEGCSA-N 452.130 3.601 50 10 JHGE CS(=O)(=O)CC1CC(O[C@@H](CI)c2ccccc2Br)C1 2207476669 BNOFJHDAIWZLIY-MGULZYLOSA-N 473.170 3.765 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 2314795875 ZEBWWZJMDLPQEI-UHFFFAOYSA-N 478.545 3.743 50 10 JHGE CCOC(=O)c1sc(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)c(C(=O)OCC)c1C 2331123778 VUCUJYBBZGROPL-UHFFFAOYSA-N 486.546 3.981 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@]12CCC[C@]1(CBr)C2 2364016547 ZCJITUGSUJCKEO-OLZOCXBDSA-N 470.003 3.630 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](CCBr)C(C)(C)C1 2364230172 IZCZQEJWWMBSAY-MRVPVSSYSA-N 472.019 3.828 50 10 JHGE CC(C)C[C@H](CBr)CN1C(=O)C(=O)c2cc(I)ccc21 2382191046 QWHCYPPWUXHQOB-SNVBAGLBSA-N 450.114 3.878 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCC(=O)OCCCc3ccccc3)cc2)c1 13998653 BBFYVRKHPROBHC-UHFFFAOYSA-N 487.556 3.965 50 10 JHGE CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 14042220 HOWAIROHGUVUDQ-UHFFFAOYSA-N 468.579 3.553 50 10 JHGE COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC 18200243 PESKOJIQMWFPLC-MYYSRTQBSA-N 492.528 3.938 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(I)cc2)cc1 58892937 HFXJDILYLIOMSK-PKIWBCANSA-N 452.292 3.654 50 10 JHGE COc1cc(-c2cc(CN(C[C@H]3CCCO3)C(=O)C(Cl)Cl)no2)cc(OC)c1OC 103022835 NIVKOBAZGFFSCH-CQSZACIVSA-N 459.326 3.679 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](CCl)OC[C@@H]2C)cc1Br 155827505 JQKUWFXKJRVUFY-VHSXEESVSA-N 461.603 3.537 50 10 JHGE CCN(CC)CCCN/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216498533 RWPGUVNOZQHFGT-RWEWTDSWSA-N 459.638 3.649 50 10 JHGE Cc1cccc(C(=O)N2C[C@H](CBr)OC(C)(C)C2)c1I 235916317 GQCRDYNFCFHMET-NSHDSACASA-N 452.130 3.614 50 10 JHGE CCOc1cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)ccc1OCc1ccccc1 1084039365 SVNFXCMKFNWGHM-UHFFFAOYSA-N 481.574 3.581 50 10 JHGE CC(=O)c1ccc2c(c1)N(Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)O2 1858695521 VBCZSGSZFLSMQQ-CQSZACIVSA-N 478.417 3.911 50 10 JHGE Cc1c(CN=[N+]=[N-])cc(B(O)O)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887520565 JMQKGACEPCKISU-UHFFFAOYSA-N 497.364 3.556 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1ccc(Br)cc1Br 2097946826 SXWIESXRYMKZRD-UWVGGRQHSA-N 455.972 3.884 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](CCl)(C(C)(C)C)C1 2160931390 KPZGUYCKIFCXGS-JOCHJYFZSA-N 455.020 3.616 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2179826010 NYIHRKUDNQIRGX-PWRODBHTSA-N 455.462 3.868 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[C@H]1Br 2221693359 OTIAKLPXEFFCHM-BPLDGKMQSA-N 476.209 3.785 50 10 JHGE COc1ccc([C@H](Br)[C@H]2C[C@H](S(C)(=O)=O)C2)cc1I 2269776108 LXHJRNKDTZGXKP-KWBADKCTSA-N 459.143 3.559 50 10 JHGE Cc1ccc2nc(C(C#N)=Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOCC3)[nH]c2c1 2297320349 VIPZYSUMBGNFAU-UHFFFAOYSA-N 474.521 3.517 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2313617001 NEEDVCMSNXHBEG-UHFFFAOYSA-N 482.389 3.896 50 10 JHGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc(Br)c1O 2328833133 HCAGCXUJSTVUCJ-HNNXBMFYSA-N 458.353 3.553 50 10 JHGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(I)cc2F)cc1OC 2329701394 IBIMSALIOLIQLV-UHFFFAOYSA-N 452.223 3.993 50 10 JHGE CCC[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2364190391 MITBPOYJSPWABW-ROUUACIJSA-N 499.471 3.916 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)C[C@H]1C(F)(F)F 2377563299 PMVHAOUEBHNBEA-YWDSYVAPSA-N 459.303 3.535 50 10 JHGE COc1cc(C=NNC(=O)c2cncc(Br)c2)ccc1OC(=O)c1ccc2c(c1)OCO2 15990088 RQLCJHLQXXBYOD-UHFFFAOYSA-N 498.289 3.565 50 10 JHGE aggregator O=C(NNc1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-])c1ccccc1Br 40658382 PKKDKXWRFWGDOG-UHFFFAOYSA-N 465.214 3.926 50 10 JHGE COC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816250 AXFVGNXLUKCKPF-HQIQAQIDSA-N 482.364 3.895 50 10 JHGE COCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816264 MWVCYRZWEDWUGF-MFKUBSTISA-N 468.337 3.507 50 10 JHGE CC(C)c1ccccc1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217120414 ZRXZWVJAVKCYHQ-ICFOKQHNSA-N 488.997 3.942 50 10 JHGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1 254514271 OWNYHWJZZMDVGH-UHFFFAOYSA-N 484.534 3.895 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)OCC 725414283 FAGIRCKGABJYFS-QHCPKHFHSA-N 498.576 3.728 50 10 JHGE N#Cc1ccc(N2CCC[C@@H]2C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 728160463 MKWHCONXGSDECK-HSZRJFAPSA-N 458.493 3.706 50 10 JHGE C/C(=N\NC(=O)c1c(O)c(=O)n(CCC(C)C)c2ccccc12)c1c(O)nc2ccccc2c1O 1088651716 CIXMSPGIVDHWME-RWPZCVJISA-N 474.517 3.867 50 10 JHGE CC(=O)N1C[C@@H](CI)[C@@H](c2cc(Cl)ccc2I)C1 1614643213 QEMRKURMNNQDSE-SKDRFNHKSA-N 489.522 3.942 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc(Br)c1O 1865689097 JUHXWNCXQUYGIP-LJQANCHMSA-N 467.323 3.935 50 10 JHGE C=C[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 1995286251 QUHSQNWXMWGOMO-QMMMGPOBSA-N 458.919 3.733 50 10 JHGE O=C(NC[C@]1(CBr)CCCO1)c1scc(Br)c1Br 2073641480 NVVYCIMYHYNDLU-LLVKDONJSA-N 462.001 3.947 50 10 JHGE Cc1cc(C(=O)N2CCSC[C@H]2CCBr)ccc1I 2142142097 BWIGXNDKCMPYDP-GFCCVEGCSA-N 454.171 3.942 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1(C)C 2163054141 UUHUNSJUQVNESE-INIZCTEOSA-N 461.422 3.895 50 10 JHGE Cc1cc(C(=O)N[C@H](CBr)C[C@@H]2CCOC2)ccc1I 2207096244 JOHBQTMJDLBQBM-AAEUAGOBSA-N 452.130 3.520 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CC[C@H](Br)C2)CC1 2288062577 PWWGNJGHYCVZRS-KRWDZBQOSA-N 497.455 3.812 50 10 JHGE COc1ccc(C(=O)NC2=NC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)c3ccccc32)cc1 2296532718 OLQRSPNTIPLQKS-QGZVFWFLSA-N 450.498 3.997 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2325585064 HZABQRPXEPAKOA-NRFANRHFSA-N 493.692 3.725 50 10 JHGE CN1CCC(CBr)(NC(=O)c2cc(Br)sc2Br)CC1 2352948457 PGLDKIXZQXYCBG-UHFFFAOYSA-N 475.044 3.862 50 10 JHGE O=C(NNC(=O)c1cc(Cl)sc1Cl)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 17633366 IGJSEEAIXYZKRR-UHFFFAOYSA-N 473.345 3.832 50 10 JHGE O=C(CSCC(=O)Nc1ccccc1)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccccc21 59147614 TXDGLXOGKQZCJK-OLFWJLLRSA-N 476.533 3.565 50 10 JHGE COc1cc(/C=N/NC(=O)CCc2ccc3c(c2)OCO3)ccc1OCc1ccc(C(=O)O)cc1 59166080 DUZBSLJJKHVINJ-MZJWZYIUSA-N 476.485 3.784 50 10 JHGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1 207162663 ZPRHYHJIVRIPQV-UYRXBGFRSA-N 452.507 3.684 50 10 JHGE O=C(CSc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 254488154 FZIDIVXWZHNZHT-UHFFFAOYSA-N 453.436 3.933 50 10 JHGE COc1ccc(C)cc1NC(=O)CC(C)=NNC(=O)c1ccc(I)cc1 254744382 VMWUMJSTSMMMFG-UHFFFAOYSA-N 465.291 3.743 50 10 JHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 254820676 WMHOUXBHQJIJFW-UHFFFAOYSA-N 494.500 3.713 50 10 JHGE CS(=O)(=O)N1CC[C@H](Oc2c(Br)cc(CBr)cc2Br)C1 689918039 RFJBBJPMWFWUFR-VIFPVBQESA-N 492.027 3.519 50 10 JHGE C[C@H](CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 729167894 SYTPYZFZMIEJNA-MRXNPFEDSA-N 488.512 3.557 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccc(CN3CCCC3=O)cc2)c(-c2ccccc2)n1 918673075 GYVNFSGZMIGSNE-JLPGSUDCSA-N 478.556 3.810 50 10 JHGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 1084373972 AWRSVPLRRMPKHR-UHFFFAOYSA-N 485.949 3.611 50 10 JHGE O=C(NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cc(Cl)ccc1O 1084615337 LTZWPSYBUOVYKW-UHFFFAOYSA-N 450.838 3.635 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 1084620431 YLYKVFCOBIUXJA-UHFFFAOYSA-N 487.965 3.703 50 10 JHGE C=CCn1ncc2ccc(NC(=O)NNC(=O)[C@H](C)Oc3cccc(Br)c3)cc21 1627746989 XHDZLRHCVMAHFB-ZDUSSCGKSA-N 458.316 3.605 50 10 JHGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1ccc(Cl)c(Cl)c1 1860771421 VTGOEBIQMGGJJV-UHFFFAOYSA-N 473.341 3.893 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1 1865714861 RWILULYCNQUTJE-MRXNPFEDSA-N 473.367 3.732 50 10 JHGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC 1872746873 CVCHLGAHMXNDRG-VLGSPTGOSA-N 496.501 3.967 50 10 JHGE COc1cc(I)c(Cl)cc1C(=O)NC[C@H]1C[C@H](Br)C1 1887792574 BNNRLWHPAPNBLG-ZKCHVHJHSA-N 458.521 3.857 50 10 JHGE O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915170764 APIAFQIFEUYZNF-SFHVURJKSA-N 452.370 3.822 50 10 JHGE O=C(N[C@H](CCl)C[C@H]1CCCO1)c1ccc(I)c(Br)c1 1926720607 ITDOYMMUSAWCOP-WDEREUQCSA-N 472.548 3.960 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@H](Br)[C@H](Br)C1 2019466905 WZJPGRIYHPOCNX-DTORHVGOSA-N 493.364 3.927 50 10 JHGE C[C@H]([C@@H](Cl)c1ccc(I)c(Br)c1)S(=O)(=O)N(C)C 2029078231 MTKLTLMLRGMKPM-RDDDGLTNSA-N 466.566 3.614 50 10 JHGE CCN1CCC[C@@H]([C@H](Br)c2ccccc2I)S1(=O)=O 2089534778 HXIZEUILZZAWPO-QWHCGFSZSA-N 458.159 3.541 50 10 JHGE CCN1CC[C@H]([C@@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2089535826 OKQXUCXTPIKWEA-NEPJUHHUSA-N 478.577 3.758 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Cl)C2(CCCCC2)C1 2174379863 SKMGQWLZRXRMJU-GOSISDBHSA-N 453.004 3.512 50 10 JHGE Brc1ccc([C@H](CI)OCCCN2CCOCC2)cc1 2175869204 AJOKPRYZLIBQDE-HNNXBMFYSA-N 454.146 3.664 50 10 JHGE O=S(=O)(Cc1ncsc1Br)N(CCBr)Cc1cccs1 2234499795 WJEJPHGVOWUYKX-UHFFFAOYSA-N 460.238 3.694 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239897370 XLYJWKHYWTTWIY-XPTSAGLGSA-N 467.983 3.838 50 10 JHGE COc1ccc(C=C(C#N)C(=O)Nc2ccccc2OC)cc1COc1ccccc1C(N)=O 2295672705 UWXOBYZAJIUNTE-UHFFFAOYSA-N 457.486 3.927 50 10 JHGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=C(C#N)C(=O)NCCOC)cc1OC 2314773801 BYQSGJOIFXQXCR-UHFFFAOYSA-N 489.528 3.666 50 10 JHGE C[C@@H](CCCBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825280 ROONZVDGXIGJEQ-INIZCTEOSA-N 473.433 3.574 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2321988198 QZKJXAQHMOKEPW-VFNWGFHPSA-N 493.692 3.582 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCl)c1ccsc1 2338850955 CBIWNALRNBFIOL-GOSISDBHSA-N 455.001 3.804 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@@H](Cl)C2 2364201615 ITHOPWWEXFYTMF-KNTRFNDTSA-N 453.004 3.558 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Cl)C2(CCCC2)C1 2364214054 KOFHURMOMCSELM-LJQANCHMSA-N 453.004 3.656 50 10 JHGE Cc1cc(OCC(=O)N/N=C2/C(=O)Nc3cc(Br)c(C)cc32)ccc1Br 12485082 OKPCONKNKOVDTJ-UHFFFAOYSA-N 481.144 3.680 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 14031309 GPMCNGAMHLCBLJ-UHFFFAOYSA-N 476.558 3.677 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCOC 14662494 MGOGAJYJSYESQM-OAHLLOKOSA-N 479.371 3.828 50 10 JHGE CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 33683664 WPSBNCUEQNBCGC-WJDWOHSUSA-N 467.503 3.506 50 10 JHGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40649808 OUIOPXNCCSKRBM-UHFFFAOYSA-N 477.264 3.979 50 10 JHGE Nc1c(NCc2ccc(F)cc2)ncnc1NNC(=O)COc1ccc(Cl)cc1Cl 40795552 DCRSHSHLXMSINP-UHFFFAOYSA-N 451.289 3.639 50 10 JHGE COc1ccc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40795626 HXERAQGNSRFPIJ-UHFFFAOYSA-N 450.282 3.689 50 10 JHGE Cc1cc(=O)oc2cc(OCC(=O)Oc3ccc(/C=C(\C#N)C(=O)NCc4ccco4)cc3)ccc12 40928825 WWPQDJGBOCWTIG-XDHOZWIPSA-N 484.464 3.902 50 10 JHGE COC(=O)c1ccccc1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217253857 GHLLLNSTWAFNOI-QBFSEMIESA-N 461.259 3.844 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1ccc(I)c(Cl)c1 232348311 INICQJMQMUSNPO-SCZZXKLOSA-N 458.521 3.569 50 10 JHGE COc1ccc(C(=O)NN=C2C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3ccccc32)cc1 254895496 PLUYKGFNAXECCU-QHCPKHFHSA-N 469.545 3.756 50 10 JHGE C[C@H](Br)C(=O)c1cc(I)ccc1I 307504867 KROPUXZEUKHBKE-YFKPBYRVSA-N 464.866 3.862 50 10 JHGE O=C(CBr)c1cc(OC(F)(F)F)c([N+](=O)[O-])cc1I 575711126 NRWKRCLEDSZLOS-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE COc1cc(OC)cc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 727705864 CKZLGJKNFHYPDD-UHFFFAOYSA-N 476.464 3.998 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccc(OC)c(OC)c1 1084651750 AZBSWKVVFQAAOQ-UHFFFAOYSA-N 465.579 3.509 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1(F)F 1260507559 PTQYXZILNXFQHY-CQSZACIVSA-N 469.348 3.505 50 10 JHGE C/C(=C\C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1449359599 ASKQLXRISGIGSR-WCRPCQDQSA-N 455.477 3.903 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)c1 1637295192 QLJXVGMSQKLJEI-UHFFFAOYSA-N 455.609 3.811 50 10 JHGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)cc1N=[N+]=[N-] 1887520557 ICMGXPONOSWSCB-UHFFFAOYSA-N 497.364 3.683 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)c1cc(CBr)oc1Br 1887879472 LPWDRMPWBSFNFC-OCAPTIKFSA-N 480.016 3.731 50 10 JHGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1C(=O)Nc2c(Br)cc(F)cc21 1984041368 XNPWTVNHANVKQD-GHMZBOCLSA-N 452.118 3.912 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(Br)sc2Br)[C@@H]1Br 2078736052 CBHFHWSQNXRFRF-SVRRBLITSA-N 462.001 3.944 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CC[C@H](OCCBr)C1 2109128050 LZERWORQECDVRZ-JTQLQIEISA-N 455.972 3.838 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CC2(C1)OCCC[C@H]2Br 2159662209 QFSUHQDKKHZQNF-LLVKDONJSA-N 467.983 3.980 50 10 JHGE CN(Cc1ccccc1)C1(CNS(=O)(=O)N2CCC(Br)CC2)CCCCC1 2162201035 FFZPGAAQXLWFNC-UHFFFAOYSA-N 458.466 3.515 50 10 JHGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)N1CCC[C@H](CBr)C1 2179813136 RRTSWBFIRXFXIX-QRVBRYPASA-N 459.450 3.654 50 10 JHGE O=S(=O)(C1CCC(CBr)CC1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179825279 FSQGBZOKZJAJDP-PXMFUHLKSA-N 455.462 3.724 50 10 JHGE ICC1(OCc2cccc(I)c2)CCOCC1 2302682777 MNZKMLMQRISKAP-UHFFFAOYSA-N 458.077 3.792 50 10 JHGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)CC12CCOCC2 2306816779 UMPKJKGERNXYRV-UHFFFAOYSA-N 452.377 3.550 50 10 JHGE O=C(C=Cc1ccccc1)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 2313607288 WSDXYANOPIJACY-UHFFFAOYSA-N 452.363 3.888 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12 2328796331 DGPAKPWJGVOGHQ-ZBEGNZNMSA-N 450.923 3.909 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1cc(Br)cc(Br)c1O 2328829487 QJXQGZJZOXSBIY-ZDUSSCGKSA-N 491.180 3.767 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355685924 IGOOHWOAVGFZMH-KBVBSXBZSA-N 467.983 3.694 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2355845377 NYBDPLBFAVMAIY-CGXNFDGLSA-N 455.462 3.866 50 10 JHGE COCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O 2425955 BLEUVALZDSFUOR-SSZFMOIBSA-N 452.898 3.508 50 10 JHGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 12502491 GTHZXIPCIXKMJJ-UHFFFAOYSA-N 454.360 3.923 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 12503414 QRPJRBCUYWQTNX-NSHDSACASA-N 490.796 3.823 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1 14035423 SHYFKQJITHNZLP-KRWDZBQOSA-N 457.596 3.949 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCCN1CCOCC1 33735066 STZXEIDCCFXSLY-AQTBWJFISA-N 475.467 3.971 50 10 JHGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1cc(F)ccc1F 40795555 HBPRAXYHHUAEGJ-UHFFFAOYSA-N 455.252 3.910 50 10 JHGE COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 40812811 KSSNZYRVRVAVJF-LFVJCYFKSA-N 462.344 3.587 50 10 JHGE O=C1[C@@H](Br)CCCN1c1ccc(I)cc1Br 300906585 OFMIHGOMCIQXHE-QMMMGPOBSA-N 458.919 3.944 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC(=O)OC 1084476528 AZGKQIZRJHVFIJ-FQEVSTJZSA-N 489.366 3.693 50 10 JHGE C=CCc1cc(CNC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)cc(OC)c1OC 1221552021 BTIUTNJUFLCBQE-UHFFFAOYSA-N 450.442 3.570 50 10 JHGE CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860769858 JVXSRSCQWZKFBK-SDNWHVSQSA-N 488.569 3.693 50 10 JHGE COC1CC(CCl)(NC(=O)c2cc(Br)ccc2I)C1 1899871868 BWAIWZPEJLRZQG-UHFFFAOYSA-N 458.521 3.570 50 10 JHGE CC(C)(CBr)[C@@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2099642738 KGPXIPPZUOLQBV-SFHVURJKSA-N 485.444 3.668 50 10 JHGE CCCC(CBr)(CCC)CN1CCS(=O)(=O)CCN1C(=O)OC(C)(C)C 2106781609 JNCZGKWSTLZDPN-UHFFFAOYSA-N 455.459 3.850 50 10 JHGE C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CCN(C(=O)OC(C)(C)C)C1 2162588475 GKPDHYRDNLTNOV-GDBMZVCRSA-N 461.422 3.895 50 10 JHGE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CCCCCCCCCBr 2163059815 WUWAMRDHGKAHNE-HXUWFJFHSA-N 451.446 3.700 50 10 JHGE Brc1cccc([C@@H](CI)OCCCN2CCOCC2)c1 2175870583 RCYXOBPVABAHAJ-OAHLLOKOSA-N 454.146 3.664 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2179823611 LOOKQMGSMCPMBM-ROUUACIJSA-N 469.470 3.828 50 10 JHGE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2201351602 LHTHYYGKUSHWOJ-HNAYVOBHSA-N 459.406 3.507 50 10 JHGE COC1(CBr)CCN(C(=O)c2ccc(I)c(C)c2)CC1 2207101054 FHFLRVFXGWJEIT-UHFFFAOYSA-N 452.130 3.616 50 10 JHGE O=S1(=O)CC[C@H]1[C@H](Br)c1cc(Br)c(Br)cc1F 2213487911 AYPNWGCMSZHESX-VHSXEESVSA-N 450.949 3.974 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1cc(Br)ccc1O 2328827655 SRGWMJNDUYVSDB-KRWDZBQOSA-N 462.344 3.741 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)c1ccsc1 2338680881 VHRGGZLTKWCBKP-ZETCQYMHSA-N 472.000 3.873 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC(OCCCBr)C1 2340057771 KVCUJJUTQCHOKN-UHFFFAOYSA-N 458.521 3.571 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2364228345 LOVYJKJYLOTTSN-YIZRAAEISA-N 470.003 3.723 50 10 JHGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2ccc(-n3ccnc3)cc2)c1 8670786 QQTNMDHBCUMRPN-IMRQLAEWSA-N 489.557 3.836 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)cc1 12501815 RKBHSCLETKLXQE-UHFFFAOYSA-N 466.950 3.850 50 10 JHGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1Br 14041311 KLILOFDQNPIGFS-UHFFFAOYSA-N 493.354 3.645 50 10 JHGE COc1cccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])c1 40586887 ROPIUUPCGMWVOK-UHFFFAOYSA-N 459.260 3.656 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Cl)cn2)c1[N+](=O)[O-])c1ccc(Br)cc1 40647047 QULQZDGVKBKMPZ-UHFFFAOYSA-N 464.667 3.696 50 10 JHGE Cc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])sc2c1 40650507 QBRQODMJBPALCB-UHFFFAOYSA-N 466.439 3.712 50 10 JHGE CCOc1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40658690 CTQOAXPKJKVZNQ-UHFFFAOYSA-N 473.833 3.846 50 10 JHGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OCC)c1 206288230 UMMQWFPOAMUJKB-PXNMLYILSA-N 469.406 3.899 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 206959193 NEAPWYKELMHEDO-ATVHPVEESA-N 497.485 3.578 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCN2C[C@H](Br)C[C@H]2C1 405290348 ZQFXVANELXNUKT-MNOVXSKESA-N 466.999 3.505 50 10 JHGE O=S(=O)(c1ccc(CCl)cc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 705901968 BEFNFHINFUMRMU-ROUUACIJSA-N 469.832 3.940 50 10 JHGE C[C@@H]1CN(C(=O)NNC(=O)c2ccc(Br)cc2Cl)C[C@H](c2ccccc2)O1 728956590 XLSCXHAHLMAPPO-SJKOYZFVSA-N 452.736 3.919 50 10 JHGE COc1ccc(-c2nnc(COC(=O)/C(C#N)=C\c3cc(C)n(C[C@H]4CCCO4)c3C)o2)cc1 760036663 IBTISAAQQUEASI-ZRELAVNMSA-N 462.506 3.993 50 10 JHGE C=CCn1nc(C)c(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccccc3)n2CC=C)c1C 1084647706 NTEWKXDLLWFPDE-IBGZPJMESA-N 478.626 3.706 50 10 JHGE CC(=O)CCc1ccc2oc(C(=O)NNC(=O)c3cc(Br)ccc3O)c(C)c2c1 1457679193 DVVCEDVUKSZJJA-UHFFFAOYSA-N 459.296 3.806 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772750123 XYKRXKFFWIVYIR-UHFFFAOYSA-N 470.938 3.848 50 10 JHGE CCOC(=O)c1ncc(CBr)c(I)c1OC(F)(F)F 1848387774 ULCVPLWGBOBEOP-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(CCCBr)Cc1ccccc1 1914653679 XGGJBAMTEWTZOD-UHFFFAOYSA-N 493.423 3.680 50 10 JHGE CC1(C)CC[C@H](Br)[C@@H](CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1927037472 ALDLUDJQGDBAAT-QAPCUYQASA-N 485.444 3.572 50 10 JHGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc(CCBr)s1 2123240786 APSQZGWUYUBQTH-CVEARBPZSA-N 457.459 3.969 50 10 JHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCl)CC1CCCCC1 2164515725 SEGPLUKFLSYPPI-KKSFZXQISA-N 458.983 3.508 50 10 JHGE Cc1ccc(C(=O)N[C@@H](CBr)C[C@@H]2CCCO2)cc1I 2232824107 VASOMBVAVDSFFQ-OLZOCXBDSA-N 452.130 3.662 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2240732951 LRLFJEASYKZJKH-JTDSTZFVSA-N 497.455 3.667 50 10 JHGE COCCN(C[C@@H](C)Br)C(=O)c1cc(Cl)ccc1I 2272440032 VTYQCPVTCRLYAL-SECBINFHSA-N 460.537 3.817 50 10 JHGE COCCN(CCBr)C(=O)Cc1cc(Br)cc(Br)c1 2277920275 YSZLDDRJAXTCCU-UHFFFAOYSA-N 457.988 3.624 50 10 JHGE O=S(=O)(CC1(CBr)CC1)N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2290042614 IYNUXDORVCIFCX-UHFFFAOYSA-N 465.404 3.725 50 10 JHGE CC(C)(CCBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316828064 XVXYAPWQHLNYRB-UHFFFAOYSA-N 473.433 3.574 50 10 JHGE COc1ccc(-c2ccc(C(=O)NN=C(C)c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)c(C)n2)cc1OC 2321281010 BSRUHPCDJZCYPD-KRWDZBQOSA-N 488.544 3.972 50 10 JHGE CCCOc1ccc(C(=O)NN=Cc2cc(Br)c(O)c(OC)c2)cc1[N+](=O)[O-] 2325902362 PKAGCAXMAUAFTH-UHFFFAOYSA-N 452.261 3.624 50 10 JHGE C[C@H]1CCCN(C(=O)c2c(Br)c(Br)nn2C)[C@@H]1CBr 2338672496 GARHIXBXMFHIKW-JGVFFNPUSA-N 457.992 3.581 50 10 JHGE C[C@H]1C[C@@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843516 AKLWTSCYESOXGO-IRXDYDNUSA-N 485.444 3.668 50 10 JHGE CCN(C(=O)c1c(Br)c(Br)nn1C)[C@H]1CCC[C@@H]1Br 2338863562 LQHNDXFUGULFQL-YUMQZZPRSA-N 457.992 3.723 50 10 JHGE CO[C@H]1[C@@H](CBr)N(Cc2ccc(Cl)cc2I)C[C@H]1OC 2366714201 GTVJKDLHNXBFGY-MCIONIFRSA-N 474.564 3.554 50 10 JHGE COC[C@@]1(CCl)C=CCN1C(=O)c1ccc(I)c(Br)c1 2379846564 PPWVVBBMLBGSMJ-AWEZNQCLSA-N 470.532 3.690 50 10 JHGE Cc1cc(Br)c(OCC(=O)N/N=C2\C(=O)Nc3ccc(F)cc32)c(Br)c1 1499308 SRQUMEGMRCDINW-UHFFFAOYSA-N 485.107 3.511 50 10 JHGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 9231620 OVXHZEXZJBIUOO-UHFFFAOYSA-N 474.355 3.761 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510771 QWDCDZMJUJDVLE-UHFFFAOYSA-N 498.004 3.984 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCc1cccc(Cl)c1 33332632 AFFHVEMYBOYQOX-CPNJWEJPSA-N 454.910 3.653 50 10 JHGE O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658183 XDEZWJNQGHADRU-UHFFFAOYSA-N 463.435 3.749 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813268 RUKGRECIRJVIEV-OVVQPSECSA-N 453.930 3.728 50 10 JHGE C[C@H](Br)[C@@](Br)(CBr)C(=O)Oc1ccc([N+](=O)[O-])cc1 205782520 BZDKPBYUSSCYRI-CPCISQLKSA-N 459.916 3.812 50 10 JHGE Cc1ccc(C(C)C)c(OCCOc2ccc(C=NNC(=O)Cc3nnc(N)s3)cc2)c1 254287472 HEVHPPKKPUAPAJ-UHFFFAOYSA-N 453.568 3.703 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1c1ncc(C(F)(F)F)cc1I 686113081 MUOMFSGKEYGSPI-CBAPKCEASA-N 465.051 3.694 50 10 JHGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2F)c1C)S(C)(=O)=O 725416228 KGBMEIVPYWLVOB-UHFFFAOYSA-N 470.570 3.766 50 10 JHGE C#CCn1ccc(CN(CCOC)C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)n1 1556461335 XITDECNBRYIBDX-JJIBRWJFSA-N 455.562 3.814 50 10 JHGE C#CC1(O)CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 1585305475 ZCGNIDQWNAKGHO-XMHGGMMESA-N 452.352 3.750 50 10 JHGE COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(C#N)CC1 1636504434 CBKGBYIXDSGPOY-KRWDZBQOSA-N 450.333 3.706 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)cc1 1772744010 OGXGWYYWUOKUED-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4c(C)nc5scc(C)n45)c(=O)c23)cc1 1860772596 AEZBWADFHOSFFW-ZNLRHDTNSA-N 476.587 3.910 50 10 JHGE O=C(NC[C@]1(CBr)CCCO1)c1cc(Cl)ccc1I 1879603489 BUMJMZRUUFYYJM-CYBMUJFWSA-N 458.521 3.619 50 10 JHGE CC(C)(CI)CN=[S@@](C)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1904650492 GRHPSTXEPLCNSK-QHCPKHFHSA-N 458.406 3.945 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2013012106 BPMIJVLPDNMMDU-BBWFWOEESA-N 477.693 3.649 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)c2c(Br)cccc2Br)CCO1 2117532783 VDLIZODQEYSOJL-GZMMTYOYSA-N 455.972 3.836 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CCBr)s2)C1 2123241407 JEGRUILSCCGXFL-MRXNPFEDSA-N 457.459 3.828 50 10 JHGE COc1ccc(S(=O)(=O)N(CCCN(C)C)Cc2ccccc2)cc1CBr 2179857914 GPLGJLSYGJNLKG-UHFFFAOYSA-N 455.418 3.733 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)cc(F)c2F)CCN1Cc1ccccc1 2179860043 MLJDEFRWFHHSKR-CQSZACIVSA-N 459.356 3.755 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC(F)(F)C[C@@H]1CBr 2271831269 ARCRLYPPGRNORW-RXMQYKEDSA-N 459.559 3.957 50 10 JHGE Clc1ccc(CN2C[C@H]3COC[C@@H](C2)[C@@H]3Br)cc1I 2337213663 BOQUYMKWPGNSEA-YABSGUDNSA-N 456.549 3.786 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@]1(CBr)C[C@H]2CC[C@H]1C2 2364006593 IDKCGFHIHQJUHV-UPFKWVMWSA-N 470.003 3.629 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1 10505968 SCMNSOVXFLHVSM-UHFFFAOYSA-N 453.351 3.681 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 13976595 XCDGHQASNFUHBS-DJTWPOEFSA-N 468.362 3.505 50 10 JHGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)c3ccccc3F)c2)cc(OC)c1OC 254823690 KPCGOCIDHOAVDJ-UHFFFAOYSA-N 452.438 3.835 50 10 JHGE C[C@@H](Br)C(=O)c1cc(I)ccc1I 307504864 KROPUXZEUKHBKE-RXMQYKEDSA-N 464.866 3.862 50 10 JHGE O=C(NCc1cccc(C(=O)OCc2ccccc2)c1)NNC(=O)c1cccc2cccnc12 727478211 YNFCIKJVRRZMHC-UHFFFAOYSA-N 454.486 3.736 50 10 JHGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)s1 1165462311 GKGPONIOKOSBBF-UHFFFAOYSA-N 453.895 3.570 50 10 JHGE C#CCN1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 1302088219 KUFDPVLSQQMVEH-HKWRFOASSA-N 451.368 3.541 50 10 JHGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711997 NGRQLHKDQLSOQA-QFIPXVFZSA-N 489.488 3.731 50 10 JHGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715035 UCMSXGSQHQKVTE-HXUWFJFHSA-N 450.470 3.574 50 10 JHGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1cc(CBr)ccc1Br 1887893764 UKJHFECERQTSPH-MWLCHTKSSA-N 476.028 3.748 50 10 JHGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1915299737 IDRVEBNQKRLJJM-HXUWFJFHSA-N 493.423 3.534 50 10 JHGE CCN(Cc1ccccc1NS(=O)(=O)CI)C(=O)OC(C)(C)C 1983328646 ZZGFPPDFUBSTSA-UHFFFAOYSA-N 454.330 3.578 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)C1COC1 1984650230 VLEGXPANJCBLHY-UHFFFAOYSA-N 481.231 3.995 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1991471603 SFBCEMDYNZYAKI-DNVFCKCGSA-N 480.447 3.788 50 10 JHGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)c2C)cc1 2052128564 YEROFCUVUYOBNU-UHFFFAOYSA-N 485.496 3.767 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)C1 2110715131 KQSSMVHGYGMQBN-JZXAWVDUSA-N 451.427 3.964 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@H]2[C@@H](C)Br)cc1Br 2125871100 RSXKZDNDCCLFST-VHSKPIJISA-N 476.028 3.970 50 10 JHGE CCN(CCBr)CCC[C@@H](C)NC(=O)c1sccc1I 2204137761 NVIGAOOIBNBQJS-LLVKDONJSA-N 473.218 3.968 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2330883475 IRTFPDRNHFHGGH-ZXFLCMHBSA-N 474.012 3.755 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCC[C@H]1CCBr 2338678700 GFQJFEYWIWGPDH-JGVFFNPUSA-N 457.992 3.629 50 10 JHGE Clc1ccc(I)cc1CN1CCN2C[C@@H](Br)C[C@@H]2C1 2352417967 PJEOWLUGAPHESJ-WCQYABFASA-N 455.565 3.598 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)[C@H]1C(C)(C)C 2364030327 YVNYZJFXQPLULB-XVKPBYJWSA-N 472.019 3.969 50 10 JHGE CCOC(=O)c1c(N)sc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 1513145 BLRXGGBEQLMWGK-WGOQTCKBSA-N 451.548 3.592 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCOC)cc1 14662634 SCEWMQQGCVRFEG-OAHLLOKOSA-N 479.371 3.828 50 10 JHGE COc1ccc(/C=N/NC(=O)c2c(O)ccc3ccccc23)cc1COc1ccccc1C(N)=O 20258643 CJKOYNMUFDKLBE-WKULSOCRSA-N 469.497 3.996 50 10 JHGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)cc1F 31500242 WVORQHAOGHAORO-CQSZACIVSA-N 474.766 3.967 50 10 JHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc3ccccc3nc12 35549145 UKZZXQLZXFHLDN-RPWUZVMVSA-N 479.924 3.982 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(C(=O)O)cc2)c1[N+](=O)[O-] 40659570 MMNYRVXGXHDRSU-UHFFFAOYSA-N 493.263 3.656 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206398236 LFRCEWSIUBRCJU-STZFKDTASA-N 472.497 3.912 50 10 JHGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1 206743726 OOGPENKWASJNRR-CYVLTUHYSA-N 460.486 3.919 50 10 JHGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/Nc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1OC 209890461 LXPHCXBTYUJJDC-ZHZULCJRSA-N 476.489 3.668 50 10 JHGE COc1cc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc(OC)c1OC 254393713 RUEACILCEOJKJW-NOMAPVESSA-N 465.531 3.695 50 10 JHGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)c3ccc(F)cc3)c2)cc(OC)c1OC 254623365 IVNWZLSNQBFOCE-UHFFFAOYSA-N 452.438 3.835 50 10 JHGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3c[nH]c4cc(Cl)ccc34)c2)cc1 726980136 RIOGFIYAQAJQBR-UHFFFAOYSA-N 498.948 3.706 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCCCO3)c(-c2ccccc2)n1 727409837 FQICBQTZRYVNCG-RCCKNPSSSA-N 453.502 3.848 50 10 JHGE Cc1ccc(C(=O)N[C@@H](CC(=O)NNC(=O)c2cn(C)c3ccccc23)c2ccccc2)cc1 729836423 BVJLLXNVBBARTR-QHCPKHFHSA-N 454.530 3.809 50 10 JHGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)CCCS(=O)(=O)c1ccccc1 1865755916 WWEQKTFMUDVEBO-UHFFFAOYSA-N 471.966 3.726 50 10 JHGE Cc1ccc(S(=O)(=O)CCCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)nc2C)cc1 1865758047 GWCWJSOPZBBOJK-UHFFFAOYSA-N 469.538 3.520 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)Cc3ccc(Br)s3)c(C)n2)cc1OC 1865759119 JHELJTXKILCERG-UHFFFAOYSA-N 490.379 3.902 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)c1cccs1 2055481103 IGXCNSCFWKLGCK-MRXNPFEDSA-N 485.425 3.570 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)c2c(Br)cccc2Br)C1 2094092155 BWWOQVYDMMCIIN-ZDUSSCGKSA-N 455.972 3.838 50 10 JHGE O=S(=O)(c1cc(CBr)cs1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2123234184 MMYQIVGAWOICSU-MSOLQXFVSA-N 455.443 3.786 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCOC[C@@H]2C[C@H](C)Br)c1 2240922638 DWRZELPYMRYCMW-RYUDHWBXSA-N 452.130 3.614 50 10 JHGE Clc1ccc(I)c(CN2C[C@@H]3OCC[C@]3(CBr)C2)c1 2278929992 KYXFJFGDTWARAZ-KBPBESRZSA-N 456.549 3.930 50 10 JHGE COc1ccc([N+](=O)[O-])cc1C=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1 2297451082 COYCOKSAXUXOPJ-UHFFFAOYSA-N 450.476 3.586 50 10 JHGE C[C@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CCN1Cc1ccccc1 2325588855 VDCWYKOCRIUYIO-FDDCHVKYSA-N 483.700 3.990 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2336325145 YSFJUZNFKNBPCD-YHUYYLMFSA-N 456.324 3.854 50 10 JHGE Clc1ccc(CN2C[C@@H]3COC[C@]3(CBr)C2)c(I)c1 2341052920 VORYQJHJZRBLQU-RISCZKNCSA-N 456.549 3.788 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)C2(CCCC2)C1 2364229433 YENGUBONGFAGCC-QMMMGPOBSA-N 470.003 3.725 50 10 JHGE COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 9695904 GVWFXXZXWJTYPN-UHFFFAOYSA-N 468.307 3.785 50 10 JHGE COc1ccccc1/C=C/C(=O)NNC(=O)COc1ccc2ccccc2c1Br 10042643 ZXZWNIHJOGDYSX-ACCUITESSA-N 455.308 3.851 50 10 JHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 12489450 QPZGKPLAUIEUPH-DHZHZOJOSA-N 490.423 3.995 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c(Br)c1 13979735 CCNLPRIZUZFDRB-UHFFFAOYSA-N 455.736 3.579 50 10 JHGE CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 14658926 GBPCIEQJFBRJEI-UHFFFAOYSA-N 462.344 3.906 50 10 JHGE COc1cc(/C(C)=N\NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc(OC)c1OC 33594095 HNDVSJWQCHAXMM-UCQKPKSFSA-N 489.575 3.729 50 10 JHGE Cc1nc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])sc1C 40650003 ACSQOOSXIJPOGV-UHFFFAOYSA-N 464.305 3.721 50 10 JHGE O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)c(N2CCOCC2)o1 59250545 CGWFUTKRMZQGPL-KEBDBYFISA-N 481.397 3.731 50 10 JHGE CC[C@H](NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 217193873 DZGKLBCNIYXFLR-VNGCWQDASA-N 492.645 3.547 50 10 JHGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237513 IYZBSAPJZFBTNU-PFONDFGASA-N 476.293 3.598 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCC(OCCBr)CC1 236065034 ODOPLNAFZAOYRC-UHFFFAOYSA-N 472.548 3.961 50 10 JHGE CC(=NOCC(=O)NN=Cc1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3)c1ccccc1 252598710 DCJRNHOMVCGKCG-UHFFFAOYSA-N 450.451 3.816 50 10 JHGE COc1ccc(C=NNC(=O)c2ccccc2O)cc1Cn1nc(C)c(Br)c1C 252621583 NCBFESMFEBUINR-UHFFFAOYSA-N 457.328 3.789 50 10 JHGE CCc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 254498017 MCDGXFNFCKJBPI-FQVYAFQLSA-N 471.513 3.965 50 10 JHGE CCOC(=O)[C@@H](Br)Cc1cc(I)ccc1Br 300900037 KOLIIPGXMULSGC-JTQLQIEISA-N 461.919 3.923 50 10 JHGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ncccc4C#N)CC3)c2C)cc1 791030433 VAGHVRSXKMBVQP-XQNSMLJCSA-N 466.545 3.625 50 10 JHGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3cc(Cl)nc4ncccc34)c2C)C1=O 1678299533 LUTDQMJQJNWIOB-UHFFFAOYSA-N 453.890 3.529 50 10 JHGE CCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)c(C)n2)cc1 1865758579 HYAHYGSIFNKCOK-UHFFFAOYSA-N 484.556 3.946 50 10 JHGE COc1cc(I)c(Cl)cc1C(=O)NC[C@H]1C[C@@H](Br)C1 1887792573 BNNRLWHPAPNBLG-OCAPTIKFSA-N 458.521 3.857 50 10 JHGE CN1CC[C@@H]([C@H](Br)c2csc(Br)c2Br)S1(=O)=O 1945187007 PILFIKYBTYSHGN-NKWVEPMBSA-N 468.030 3.743 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C(CBr)[C@@H]2C1 2030275682 RUTQAVBVAAGALO-QWRGUYRKSA-N 484.957 3.767 50 10 JHGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1cc(Br)c(Br)s1 2048658460 GPDLSWKXVMCADF-SVRRBLITSA-N 462.001 3.803 50 10 JHGE C[C@H]1CN(c2ncc(I)cc2Br)C[C@@H](CCBr)O1 2069532863 XMSUTZIRKJSWPI-WCBMZHEXSA-N 489.977 3.827 50 10 JHGE CC[C@@H]1CN(S(=O)(=O)c2ccc(CCBr)s2)CCN1Cc1ccccc1 2123241266 GZPGBTAQBNWBDD-QGZVFWFLSA-N 457.459 3.971 50 10 JHGE CO[C@H]1C[C@@H](CCl)N(C(=O)c2ccc(Br)cc2I)C1 2142284470 COTOHWHWPHNCAO-UWVGGRQHSA-N 458.521 3.522 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NCC2(CBr)CCOCC2)C1(C)C 2163063893 RNTJCWPWNLUWNU-YVORESIASA-N 467.470 3.969 50 10 JHGE C[C@]1(CBr)COCCN1c1ncc(C(F)(F)F)cc1I 2169033159 MYINSLKISVQSPM-NSHDSACASA-N 465.051 3.695 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCI)C[C@H]1C(F)(F)F 2243586314 OEHHDYQYKFQRQF-NWDGAFQWSA-N 450.283 3.837 50 10 JHGE COc1ccc([C@@H](Br)[C@@H]2CCCCS2(=O)=O)cc1I 2269539643 FEDJQECJTWVLBN-QWHCGFSZSA-N 459.143 3.703 50 10 JHGE CCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 2325891264 JVXSRSCQWZKFBK-UHFFFAOYSA-N 488.569 3.693 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC(C)(C)C[C@H]1CBr 2338680086 QNSIXBTXZSSAFY-ZETCQYMHSA-N 457.992 3.581 50 10 JHGE COc1ccc(/C=N/NC(=O)c2cnc3ccccc3c2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2946116 HYZQQMOUGBXANY-RPPGKUMJSA-N 458.478 3.777 50 10 JHGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1 10283232 DMATXBSJWAAMEL-UHFFFAOYSA-N 470.378 3.743 50 10 JHGE Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1 14644184 NZAUZMFVVDMGBK-CYBMUJFWSA-N 455.736 3.713 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14660450 LRELYELUFHQQNG-UHFFFAOYSA-N 494.411 3.513 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38654709 RISPZLPWGXISSQ-HSZRJFAPSA-N 488.412 3.706 50 10 JHGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40700751 YMBPOPRCEKORAE-UHFFFAOYSA-N 469.501 3.913 50 10 JHGE COc1cc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 59160515 HHIBDKIXNJTWKP-MFKUBSTISA-N 484.530 3.552 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)CCCc3ccccc3)c3ccccc32)cc1 59165804 RCFDTVRFILSDNW-URGPHPNLSA-N 454.530 3.824 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](Br)C2CC2)cc1Br 136646936 LMLWARWHKVDLHI-NSHDSACASA-N 476.028 3.972 50 10 JHGE CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CN(C(=O)NC[C@@H]1CCC[C@H](CN=C=O)C1)CC2 170288937 WVLFJVDPKZQLDX-VQTJNVASSA-N 479.581 3.567 50 10 JHGE FC(F)(F)Oc1cc(I)nc(CCl)c1I 396177182 DRRVEPJDCYHHGM-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(CCBr)c1 703950939 LOSGXHGGCQKTBX-UHFFFAOYSA-N 479.396 3.688 50 10 JHGE COC[C@](C)(CBr)NC(=O)c1ccc(I)c(Br)c1 721592205 FWLOLYMEMRHVFN-LBPRGKRZSA-N 490.961 3.584 50 10 JHGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CCCCCO)cc1I 1084014727 NIFDVAUHEIKLBI-UHFFFAOYSA-N 491.329 3.745 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccccc2O)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719748 RVZLZSBGYNVTKS-UHFFFAOYSA-N 464.474 3.791 50 10 JHGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CCI)[C@H](C(F)(F)F)C1 1900547610 GWVZNWIEPBCXQJ-NEPJUHHUSA-N 450.283 3.979 50 10 JHGE F[C@@H](CBr)C1CN(c2ncc(I)cc2Br)C1 1988530228 CDSCSQBVJDULMQ-VIFPVBQESA-N 463.914 3.618 50 10 JHGE O=C(NC1CC(Br)C1)c1ccc(Br)cc1I 1995285678 JOLINPYXXQGMOE-UHFFFAOYSA-N 458.919 3.709 50 10 JHGE Brc1cccc(Br)c1CN1CCN2C[C@H](Br)C[C@H]2C1 2094088918 QMBDVTOATDBVQY-MNOVXSKESA-N 453.016 3.865 50 10 JHGE O=C(NCC12CC(CBr)(CO1)C2)c1cc(Br)sc1Br 2103333833 SUXXQRWWGCXPBP-UHFFFAOYSA-N 474.012 3.947 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146693399 NBWBRXWRONXBTB-ZWKOPEQDSA-N 470.532 3.712 50 10 JHGE Cc1sc(C)c(S(=O)(=O)NC[C@H](CBr)C(F)(F)F)c1Br 2161574543 FGLGXWQNGQZHBM-ZETCQYMHSA-N 459.147 3.979 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1C 2179787580 QVGUPCPTUYTCMT-UHFFFAOYSA-N 456.402 3.744 50 10 JHGE Cc1c(C(=O)N[C@@H](CCBr)COCc2ccccc2)nn(C)c1Br 2303546596 GSUKYPFIHOCVLQ-AWEZNQCLSA-N 459.182 3.591 50 10 JHGE COc1ccc(Br)c(NCC(F)(F)C(F)(F)CI)n1 2336541010 IMTMEKCAVNOYGZ-UHFFFAOYSA-N 457.003 3.970 50 10 JHGE Clc1ccc(I)cc1CN1C[C@H]2OCC[C@@]2(CBr)C1 2352418337 UJCPXJMFWXGUQI-ZIAGYGMSSA-N 456.549 3.930 50 10 JHGE CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 14658872 RBLYAFYXWDVLFU-UHFFFAOYSA-N 460.328 3.660 50 10 JHGE CCOc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)nc(O)c2c1 34988606 CUNGOCSPSQRTQI-RVDMUPIBSA-N 462.487 3.706 50 10 JHGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 40569366 UAUCRMGYAJMOSZ-YWZLYKJASA-N 470.367 3.960 50 10 JHGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4cccc(Cl)c4)c3[N+](=O)[O-])CC2)c1C 54520665 WAWDWVOIUMNYFR-UHFFFAOYSA-N 481.944 3.739 50 10 JHGE CCN(CCBr)S(=O)(=O)c1cc(Br)c(C)cc1Br 158639118 ODBOFTUEXRQBJO-UHFFFAOYSA-N 464.017 3.926 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 206736058 RVYZFJUOCUFUHS-PDGQHHTCSA-N 491.456 3.794 50 10 JHGE CC(C)C(=O)NC1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 915869218 CEZKLQODVAQCTN-XMHGGMMESA-N 478.984 3.787 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2ccccc2F)nnc1-c1ccc(Br)cc1 1084075056 SCPYKFSMFYJTOU-UHFFFAOYSA-N 477.363 3.583 50 10 JHGE CC(C)c1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860769615 APWSRDIDAFTHNH-AYAUWGRQSA-N 464.591 3.567 50 10 JHGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860771187 MLNVXXXJBZHRCW-QHLFFQLOSA-N 494.617 3.793 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc(OC)c1OC 1865693552 WWBONLJLUKMVEW-NRFANRHFSA-N 450.470 3.623 50 10 JHGE C[C@@H](C(=O)NNC(=O)Cc1ccc(Cl)c(Cl)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865852498 ZCKNVXWAAHVDIR-NEPJUHHUSA-N 493.416 3.841 50 10 JHGE CCCC[C@H](NC(=O)c1cnnn1-c1ccc(OC)cc1)C(=O)Nc1ccc(SC#N)cc1 1866925181 WXWUJBVWDNITBD-FQEVSTJZSA-N 464.551 3.776 50 10 JHGE CO[C@H]1C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1903182489 QZTIQWRPNRNDHY-CVEARBPZSA-N 465.682 3.507 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)C(F)(F)C1 2086145338 LKQJEHFSCCQIIB-VIFPVBQESA-N 494.899 3.908 50 10 JHGE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)S(=O)(=O)c1ccc(CBr)cc1 2163618891 ZSYIDCAKBHIXEH-YOEHRIQHSA-N 461.422 3.848 50 10 JHGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1ccn([C@@H]2CCCCO2)n1 2174001629 KJJFVLPDTZTTGL-HKUYNNGSSA-N 456.406 3.947 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(CBr)cc1 2179788467 CLCOPAKSSJATDA-UHFFFAOYSA-N 456.402 3.577 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Cl)C[C@H]2CCCC[C@@H]21 2279555164 RPFIUVGVSPDYKG-HLIPFELVSA-N 453.004 3.655 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1CCO[C@@H](CCBr)C1 2295310726 APLAPQLXQSCPTE-ZDUSSCGKSA-N 469.999 3.767 50 10 JHGE COC1CC(CBr)(NC(=O)Cc2cc(Br)cc(Br)c2)C1 2295311327 JHTWLMPTTUCCKD-UHFFFAOYSA-N 469.999 3.813 50 10 JHGE COc1cc(C(=O)N=C2NC(=C(C#N)C(=O)Nc3ccccc3)c3ccccc32)cc(OC)c1OC 2296280407 DFMAFHKILLZFLQ-UHFFFAOYSA-N 482.496 3.776 50 10 JHGE O=C(CCCCCN1C(=O)C(=Cc2ccccc2)SC1=S)NNC(=O)c1ccccc1O 2297477408 ASMPEWVAOZMZET-UHFFFAOYSA-N 469.588 3.615 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 2313616979 JLSAHIRYTDOTOY-UHFFFAOYSA-N 488.569 3.605 50 10 JHGE C[C@H]1CC[C@](CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338850343 RDBNKMQEXFNGCS-KKSFZXQISA-N 485.444 3.716 50 10 JHGE O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 14016337 LLRKVKVAVIJVFQ-UHFFFAOYSA-N 496.416 3.975 50 10 JHGE Cc1nn(C(C)C)c(C)c1/C=N/NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 20805128 KTEYMENPZDIDKV-VULFUBBASA-N 474.594 3.966 50 10 JHGE CC(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40782793 XQBFMGQKOSKDNM-UHFFFAOYSA-N 461.309 3.834 50 10 JHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812009 YREASYBXPDOPFU-ZXVVBBHZSA-N 475.501 3.827 50 10 JHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812997 NTWKEXOCRWSIDU-OVVQPSECSA-N 490.472 3.625 50 10 JHGE CC(=O)N(C(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(N)cc1 216919483 WJIIEIIIZSGYCJ-DAFNUICNSA-N 479.584 3.963 50 10 JHGE CC(=NNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1cccs1 252637084 XOVJQDNDFCNVBH-UHFFFAOYSA-N 453.895 3.727 50 10 JHGE O=C(NN=C/C=C/c1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254510952 PAQMUEGKLJUSJK-ACTZSVEFSA-N 484.468 3.910 50 10 JHGE COc1ccccc1OCC(=O)NN=C1C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc21 254565708 AVZPCFIGNUGHRM-GDJIYFAZSA-N 490.604 3.799 50 10 JHGE COC[C@@](C)(CCl)N(C)C(=O)c1ccc(I)c(Br)c1 721510827 PUPYGDZXMDHNEP-CYBMUJFWSA-N 460.537 3.770 50 10 JHGE O=C(NNS(=O)(=O)c1cccc2cccnc12)c1ccccc1OCc1ccc(F)cc1 734739627 HKABUAJKXGNUJZ-UHFFFAOYSA-N 451.479 3.576 50 10 JHGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O 1082753783 JVFYLRGWSXEPFC-UHFFFAOYSA-N 468.853 3.979 50 10 JHGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1084199301 BARZAHOMSLRRFH-NAVXITLVSA-N 484.581 3.939 50 10 JHGE O=C(CNc1ccc2c(c1)OCO2)NN=Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 1084346885 UBBXGSKRIOIYTG-UHFFFAOYSA-N 487.266 3.908 50 10 JHGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1 1137970620 PBDKENPMBKZAJN-SFHVURJKSA-N 455.559 3.704 50 10 JHGE CSCC[C@H](NC(=O)CCc1ncc2ccccn12)C(=O)Nc1ccc(SC#N)cc1 1866898347 XWUUBUQJRRWJPL-IBGZPJMESA-N 453.593 3.717 50 10 JHGE O=C(NC[C@]1(CBr)CCCO1)c1cc(Br)cc(Br)c1 1879605654 UYMYPRDENQVRKC-CYBMUJFWSA-N 455.972 3.886 50 10 JHGE Cn1ncc(Br)c1S(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915756166 HCUFEWZEHKUUTR-UHFFFAOYSA-N 477.222 3.691 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CC1(CBr)CC1 1954680193 GJJMOUGONNNBON-UHFFFAOYSA-N 450.418 3.513 50 10 JHGE COC(=O)Cc1c(CBr)ccc(OC(F)(F)F)c1I 2055365100 NNAIMNQWHOSADL-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1c(Br)cccc1Br 2101335969 VSLKVRRWMWEGOE-BDAKNGLRSA-N 455.972 3.741 50 10 JHGE CN(C[C@@H](Br)C1CCCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2111351378 PLIPNAFOKVXLIL-LJQANCHMSA-N 485.444 3.668 50 10 JHGE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 2163053235 LOZUUJYXOWGWHV-CQSZACIVSA-N 461.422 3.895 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2179868831 PLUSCLQNGYFJNL-HKUYNNGSSA-N 453.402 3.850 50 10 JHGE CCn1nnc(CC(CBr)(CBr)c2cccc(Br)c2)n1 2197804539 OGICMPSZVIDGLM-UHFFFAOYSA-N 467.003 3.726 50 10 JHGE ClCCc1nc2cncnc2n1-c1ccc(I)c(Br)c1 2235287646 OZPXUHTUGLJPOH-UHFFFAOYSA-N 463.504 3.964 50 10 JHGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccc2ccccc2c1Br 2313854910 YZDCIZNOURJSMD-UHFFFAOYSA-N 470.279 3.750 50 10 JHGE COc1ccc(CCN2C(=O)C(=CNc3ccc([N+](=O)[O-])cc3C)C(C)=C(C#N)C2=O)cc1OC 2314579271 OKSGTBBSUQZTBI-UHFFFAOYSA-N 476.489 3.668 50 10 JHGE COCCCN1C(=O)c2ccc(C(=O)Nc3sc(C(C)=CC#N)c(C)c3C(=O)OC)cc2C1=O 2331557528 GRQFDPAOWBDIPZ-UHFFFAOYSA-N 481.530 3.655 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)C2(CCCC2)C1 2364206912 WPMWSJXUMHABTB-LJQANCHMSA-N 497.455 3.812 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OC 33304215 AHHNXHZXBRVFIQ-WUXMJOGZSA-N 479.230 3.762 50 10 JHGE CCOc1cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc(OCC)c1OCC 40969712 BRGAAWJODYBLHY-XSFVSMFZSA-N 482.533 3.771 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CSCC(=O)Nc2ccccc2)cc1 59148120 QVEZQTUUURVNMK-MFKUBSTISA-N 497.598 3.585 50 10 JHGE O=C(NN=C/C=C\c1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254510955 PAQMUEGKLJUSJK-HLDYUYORSA-N 484.468 3.910 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCc2ccn(-c3ccccc3)n2)c(-c2ccccc2)n1 725717144 GOWANRDMAMJCML-PYCFMQQDSA-N 461.529 3.915 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCC2(N3CCSCC3)CCCC2)c(-c2ccccc2)n1 915200669 HTYYRDQEHKAFRH-XLNRJJMWSA-N 474.634 3.849 50 10 JHGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3ccccc3C(=O)O)cc2)S(C)(=O)=O)cc1C 1084571612 NWDLQTIEZYHZDD-UHFFFAOYSA-N 479.558 3.732 50 10 JHGE Cc1ccc(-n2cnnc2SCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1C 1087662250 VDDMVPOTYXJSEB-UHFFFAOYSA-N 450.351 3.744 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@]2(CCN(S(=O)(=O)c3ccc(CBr)cc3)C2)C1 1260505791 QDJJUZHUFOGAPY-IBGZPJMESA-N 459.406 3.603 50 10 JHGE C#C[C@@H](NC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1ccc(Cl)cc1F 1297713599 WITAYSZROFGQGV-LJQANCHMSA-N 450.901 3.940 50 10 JHGE CC1CCN(Cc2cccc(CNC(=O)NNC(=O)c3ccc(Br)cc3)c2)CC1 1318283091 FYOMPVQDIVNLEU-UHFFFAOYSA-N 459.388 3.825 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Cc4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1865852501 ZCKNVXWAAHVDIR-VXGBXAGGSA-N 493.416 3.841 50 10 JHGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 1915100088 ASDWXLGHMUCRER-AWEZNQCLSA-N 478.405 3.594 50 10 JHGE O=C(NCC[C@@H]1COC[C@H]1Br)c1scc(Br)c1Br 2048665607 LWZHSLPUEAXTBI-RNFRBKRXSA-N 462.001 3.803 50 10 JHGE CN(CCBr)CCN(C)C(=O)c1cccc(Br)c1Br 2092333535 QFOZPCVWCPLVBO-UHFFFAOYSA-N 457.004 3.610 50 10 JHGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)n(C)c1 2179807947 BLLUMZXNERSUJI-MOPGFXCFSA-N 455.418 3.924 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Cl)C[C@@H]2CCCC[C@@H]21 2279555166 RPFIUVGVSPDYKG-QKLQHJQFSA-N 453.004 3.655 50 10 JHGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C(C)C)cc1 2294347139 IOWHVXRTEAYHMM-JOCHJYFZSA-N 498.070 3.618 50 10 JHGE CC(C)(CI)CN1C[C@@H](NC(=O)OC(C)(C)C)CC12CCOCC2 2306814961 GYIYHYKKVGOELS-AWEZNQCLSA-N 452.377 3.596 50 10 JHGE COC1CC2(CC(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)C2)C1 2307609059 DAGKFLMHDJPBON-SEEMLRNQSA-N 453.361 3.927 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC1(C)CCC(Br)CC1 2338681884 LWFTYFHABFCTLM-UHFFFAOYSA-N 457.992 3.771 50 10 JHGE CC(C)(C)[C@@H](CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338838371 WKLMALAVDQUISQ-GOSISDBHSA-N 487.460 3.962 50 10 JHGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1nn(C)nc1Br 2369011022 HFEGOZYSPNLWHF-LURJTMIESA-N 466.508 3.821 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc(C)c1Cl 10282994 UKWOUGLJTFPSDM-UHFFFAOYSA-N 463.987 3.706 50 10 JHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 13976791 WEYRTUJBHPILQB-UHFFFAOYSA-N 490.585 3.524 50 10 JHGE Cc1c(C(=O)Nc2nccs2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814608 WUNOXPANUIAKMJ-BUVRLJJBSA-N 453.480 3.604 50 10 JHGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)cc(Br)c1O 58886957 XOEDATPOPAIZRD-ANQVYJHKSA-N 456.134 3.881 50 10 JHGE Cc1ccccc1NCc1nnc(S[C@@H](C)C(=O)NNC(=O)C2CCC2)n1-c1ccccc1 59878165 PLGPKLMTUBNXSP-KRWDZBQOSA-N 464.595 3.616 50 10 JHGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H](CCl)O1 235666536 LPEZXUQFCDBKET-WPRPVWTQSA-N 458.521 3.522 50 10 JHGE COc1ccc(C(=O)NNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c(OC)c1 730495389 NASHPOURBDROCV-UHFFFAOYSA-N 453.442 3.726 50 10 JHGE COc1ccc(C(C)=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC 1084105298 JBDCQOLMSDLZHE-UHFFFAOYSA-N 481.574 3.748 50 10 JHGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1ccccc1C(=O)O)S(=O)(=O)c1ccccc1 1084340301 KZRKPAHPGASLSS-UHFFFAOYSA-N 485.949 3.692 50 10 JHGE CC(=O)N1CCN(c2cccc(NC(=O)[C@@]3(c4ccccc4)C[C@H]3Br)c2C)C1=O 1157683159 NVIZUJDJSGVNEM-DENIHFKCSA-N 456.340 3.827 50 10 JHGE CN(C)[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866706126 YCVWPRGHQXNWPP-ZEQRLZLVSA-N 474.586 3.934 50 10 JHGE CO[C@@H]1C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1903203661 QZTIQWRPNRNDHY-HZPDHXFCSA-N 465.682 3.507 50 10 JHGE C[C@@H](Br)CCNC(=O)c1ccc(Br)cc1I 1995284748 FHNCVLUOOUEPAR-SSDOTTSWSA-N 460.935 3.957 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Br)cc1O 2061268499 UURZXOURZAOQAW-UHFFFAOYSA-N 451.408 3.791 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3ccc(Br)cc3Br)[C@@H]2C1 2083334010 QESBDPQNYDERTA-QCMRWSPLSA-N 458.997 3.938 50 10 JHGE Cc1c([N+](=O)[O-])c[nH]c(=NCCSSCCNC(=O)OC(C)(C)C)c1Br 2125302027 NFTBKGBHMVXYOC-UHFFFAOYSA-N 467.411 3.801 50 10 JHGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cn1 2179813284 VVXKNGLGQGYRLP-IEBWSBKVSA-N 453.402 3.981 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](OCCOCCOCCOCc2ccccc2)[C@H](Br)C1 2211319734 KULFDSOEYBGIKM-UXHICEINSA-N 488.419 3.636 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NCCCCI)CC2)C1 2243590522 GDAQEZLXUCCMCP-UHFFFAOYSA-N 456.390 3.701 50 10 JHGE O=C(NCCN1CCC(Br)CC1)c1ccc(Cl)c(I)c1 2283662439 JHQFQDHKJSIWME-UHFFFAOYSA-N 471.564 3.534 50 10 JHGE COc1cc(C=C(C#N)C(=O)N(C)C)ccc1OCc1ccc(I)cc1 2313567689 MMMAUUSTDDULFJ-UHFFFAOYSA-N 462.287 3.874 50 10 JHGE CC(C)Oc1cccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325886481 GXEIMKWXSDIGKP-SJORKVTESA-N 494.617 3.792 50 10 JHGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1OC 2329702861 BOVVYXNTPLWFPX-UHFFFAOYSA-N 470.532 3.507 50 10 JHGE COCCO[C@@H]1[C@@H](Cl)C[C@H]1OCc1cc(I)ccc1Br 2367611398 OYLDAKCOUOCXEC-BFHYXJOUSA-N 475.548 3.982 50 10 JHGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 10283992 CQYMKWPKOQBUGP-KRWDZBQOSA-N 465.575 3.978 50 10 JHGE CC(C)(C)C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13988377 HTSBMYVTOUHTQC-UHFFFAOYSA-N 454.596 3.918 50 10 JHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 14029804 LPPYPVLEFRXNBL-UHFFFAOYSA-N 470.595 3.799 50 10 JHGE COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 15518598 WGELXACMFPFWLX-UHFFFAOYSA-N 453.568 3.765 50 10 JHGE CCOc1ccc(N/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 39894384 QVVVBPYZPMYTLD-CJLVFECKSA-N 461.518 3.850 50 10 JHGE Cc1c(C(=O)N2CCCC2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823241 SOPADIQPJVERGU-NSKAYECMSA-N 457.346 3.814 50 10 JHGE COc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1OCCC(C)C 101328750 YDDQHWHNFNWZKD-UHFFFAOYSA-N 460.185 3.959 50 10 JHGE CCOc1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1OC 254865123 TVSYKTMKARTGMN-WMTQUDNQSA-N 487.512 3.744 50 10 JHGE Cc1cc(C)c(CCl)c(-n2cnc(I)c2I)n1 304430046 QUCSUZFWMHMFDH-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C1CCCCC1 703949967 HDXXEGMQCYCUBI-SFHVURJKSA-N 485.444 3.572 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NNC(=O)Cc2ccccc2F)c(-c2ccc(Cl)cc2)n1 731328749 DWFWKYCHYLSTSA-LDADJPATSA-N 476.899 3.553 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1Cl 1084347509 VSIVBESAQFQRAY-UHFFFAOYSA-N 485.949 3.692 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)cc1)Nc1ccccc1Cl 1084561554 AMWFTVCJDCBAQK-UHFFFAOYSA-N 468.872 3.585 50 10 JHGE CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNc2cc([N+](=O)[O-])ccc2Br)cc1 1306839313 KBNIRQIBNPQHJP-ZDUSSCGKSA-N 450.289 3.790 50 10 JHGE C=C(C)[C@@H](NC(=O)NNC(=O)COc1ccccc1Br)c1ccc(F)c(F)c1 1634438815 GMBIVYRXFRJSLK-GOSISDBHSA-N 454.271 3.754 50 10 JHGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 1637116693 NPSYDWLPWWANFZ-UHFFFAOYSA-N 452.536 3.640 50 10 JHGE C=Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)cc1 1681352589 JERPDYWJTCTRQI-SANMLTNESA-N 454.574 3.830 50 10 JHGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)nc1 1772747455 LXRFTKCJZBXIMA-UHFFFAOYSA-N 461.478 3.851 50 10 JHGE Brc1cc(I)cnc1N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2069531251 GDGLTAXUMUNLCL-AVPPRXQKSA-N 487.961 3.580 50 10 JHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1cccc(Br)c1Br 2097940845 GADULFBWZBMAHF-BDAKNGLRSA-N 455.972 3.884 50 10 JHGE O=C(NC[C@H](NS(=O)(=O)c1cccc(CCl)c1)C(F)(F)F)OCc1ccccc1 2106303158 RQQYKSKGLNVIIA-INIZCTEOSA-N 450.866 3.561 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC[C@H](OCCCl)C1 2109045723 GCJQYXYMLCBEQD-JTQLQIEISA-N 458.521 3.524 50 10 JHGE O=C(N[C@H](CBr)c1ccsc1)c1cc(I)ccc1O 2119037095 CCBAZWLJAOMGNN-LLVKDONJSA-N 452.111 3.924 50 10 JHGE COC[C@](C)(CCl)N(C)C(=O)c1ccc(Br)cc1I 2142289611 ROAXNYBMSRTIMM-ZDUSSCGKSA-N 460.537 3.770 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146694695 RLRROHDMJIZWRJ-ZWKOPEQDSA-N 467.983 3.979 50 10 JHGE C[C@@H](CBr)N1CCN(C(=O)c2ccc(Br)cc2Br)CC1 2169358522 PFWIOLHZSBGSKY-JTQLQIEISA-N 469.015 3.753 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1Cl)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179791990 ZORRTHJHOBKXQJ-HDICACEKSA-N 469.832 3.987 50 10 JHGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1ccc(CBr)o1 2179870825 RJPOFMDBLVXXIA-JWTNVVGKSA-N 453.402 3.991 50 10 JHGE COc1cc(Br)c(C(=O)N2CCC(I)CC2)cc1OC 2198576363 QHRCIRPEWCINTR-UHFFFAOYSA-N 454.102 3.506 50 10 JHGE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1csc(N(C)C[C@@H]2C[C@H]2Br)n1 2198791035 ZSJJUEDDBWLGTB-XQQFMLRXSA-N 462.410 3.882 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H](CCCl)O1 2207261345 KXMPSHXUMXJNAT-MWLCHTKSSA-N 472.548 3.912 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2CCO[C@@]2(CBr)C1 2239905709 ZKTPSYVZMQAHPO-OTYXRUKQSA-N 467.983 3.838 50 10 JHGE CC12COC(CO[C@@]3(CI)CCCN(C(=O)OC(C)(C)C)C3)(C1)C2 2247421820 HDNKZLFCCXPTMU-LXPRWKDFSA-N 451.345 3.777 50 10 JHGE COc1ccnc(-n2c(C)nc(I)c2I)c1CCl 2255082172 UQSJPLDSBMSKRC-UHFFFAOYSA-N 489.482 3.532 50 10 JHGE O=C(CCC(=O)Nc1ccccc1I)NN=Cc1ccccc1Cl 2297672102 DMFFGGAEPRNBGZ-UHFFFAOYSA-N 455.683 3.814 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(CCOCCI)CC1 2306803121 VQGFQGNOYZJQGB-MRXNPFEDSA-N 452.377 3.550 50 10 JHGE CCCCN(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827807 VCNGDOHOHPSBBH-UHFFFAOYSA-N 473.433 3.670 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2COC3(CCC3)CO2)C1 2339384299 OLVNUASYYJCEAT-DNVCBOLYSA-N 481.371 3.546 50 10 JHGE Cn1cc(I)c(CN2CC[C@@H](C3CCC(Br)CC3)C2)n1 2381545348 MORKKSUPGGPCNU-OTTFEQOBSA-N 452.178 3.800 50 10 JHGE CCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(C)ccc21 38180197 LIAQYSIPBQJPLB-SLMZUGIISA-N 454.958 3.826 50 10 JHGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40611770 BJUJJRHVWBDCGT-UHFFFAOYSA-N 477.481 3.509 50 10 JHGE O=C(NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658175 FSYFPJKXQWUTQV-UHFFFAOYSA-N 475.215 3.605 50 10 JHGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3F)cc2)C1=O 101341452 HWWRQHNZCILJHL-HYARGMPZSA-N 462.477 3.950 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccccc1C 207217326 MHVKNZQAQTYRGS-PGMHBOJBSA-N 464.518 3.534 50 10 JHGE O=C1NCCOc2ccc([C@H](Br)c3ccccc3I)cc21 228233779 DJQWXMYBKPKOOW-HNNXBMFYSA-N 458.093 3.898 50 10 JHGE COc1cc(C)ccc1C(=O)NN=Cc1ccc(OS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 252614937 JNOMJNGRXPCDAY-UHFFFAOYSA-N 483.502 3.752 50 10 JHGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 254451905 NEEVEPRUGGWHHJ-UHFFFAOYSA-N 468.469 3.803 50 10 JHGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(-c4ccccc4)cc3)nnn2-c2nonc2N)c1 254824553 ZAQAYZQVUKABOL-UHFFFAOYSA-N 494.515 3.729 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCSC[C@@H]1CBr 387592300 OZOIBVPLUWQJQP-VIFPVBQESA-N 494.068 3.713 50 10 JHGE COC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 725447615 IBWKMPHXRQVOTK-KRWDZBQOSA-N 483.746 3.618 50 10 JHGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)CC1 727366759 RKCKFWYOXFWPPY-UHFFFAOYSA-N 463.365 3.718 50 10 JHGE C[C@H]1CCCCN1C(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782091269 FEVPQSPTLMGFLE-AMRJIULGSA-N 465.941 3.968 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 920850914 FNBIUWNKBZCXOL-RAUZTSFZSA-N 475.593 3.768 50 10 JHGE COc1cc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 1084074505 SHGRQVTWOJLUQW-UHFFFAOYSA-N 478.461 3.637 50 10 JHGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1084647517 DLUUJFCTLRYZTK-UHFFFAOYSA-N 465.575 3.644 50 10 JHGE Cc1c(C(=O)N=c2cc[nH]cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747521 PKKJUTFUUHNXFY-UHFFFAOYSA-N 480.340 3.647 50 10 JHGE O=C=Nc1cc(I)cc(I)c1OC(F)(F)F 2060035017 ZIQCXJJEXUERAM-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE COc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cn1 2078935191 ZQAVHXGNOUVNBF-UHFFFAOYSA-N 462.007 3.794 50 10 JHGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2165002731 SLPHGIOAJWOGJD-IAGOWNOFSA-N 499.471 3.772 50 10 JHGE FC(F)(F)c1cnc(N2CCO[C@@H](CCBr)C2)c(I)c1 2172869506 QTYKWPYFBWMWSB-VIFPVBQESA-N 465.051 3.695 50 10 JHGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)c(O)cc1O 2256016109 CORSNHQCGOWNRF-CYBMUJFWSA-N 473.161 3.913 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](F)[C@@H](CBr)C1 2277932322 ZEBHJGMQKOWZTF-JOYOIKCWSA-N 457.963 3.946 50 10 JHGE CCCN1CC[C@@H]([C@H](Br)c2c(F)cccc2I)S1(=O)=O 2282905973 WYIDIJHHJVZFHJ-AAEUAGOBSA-N 476.149 3.680 50 10 JHGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2293038653 RHBXVOBDDBAZEJ-KRWDZBQOSA-N 460.328 3.760 50 10 JHGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 2313624960 MZEBUNKALCEGAO-UHFFFAOYSA-N 480.590 3.563 50 10 JHGE CCC[C@H](CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821422 FWDIIEYQGDOINY-MRXNPFEDSA-N 473.433 3.716 50 10 JHGE O=C(NCCN1CCC(Br)CC1)c1ccc(Cl)cc1I 2365590921 JDSMYTQNJZHUHF-UHFFFAOYSA-N 471.564 3.534 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(CC)cc2Br)cc1 13977746 ULLIDVXOZVJJAV-UHFFFAOYSA-N 462.344 3.590 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 13987061 PEJPPHPYFFSKIG-UHFFFAOYSA-N 477.384 3.527 50 10 JHGE C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 20311377 AIXZWLSSODXGFX-AUXCUJNGSA-N 470.117 3.858 50 10 JHGE O=C(NNc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658688 VZLPWNFAAGASHZ-UHFFFAOYSA-N 478.252 3.969 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(C)c3)nc3ccccc3c2=O)cc1 254304415 UKBHQGWFDAHXST-UHFFFAOYSA-N 458.543 3.945 50 10 JHGE CCOc1ccccc1C=NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254516471 VRTKPYFBVVHDSS-VFGUMFSQSA-N 457.486 3.735 50 10 JHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(F)cc3)cc2OC)cc1 254819740 PKURLMVWXANXAQ-UHFFFAOYSA-N 493.491 3.931 50 10 JHGE Cc1c(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccn2c1C(=O)c1ccc(F)cc1 254843158 CEYMAAXEASFJAI-UHFFFAOYSA-N 471.414 3.983 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3OC)nc3ccccc3c2=O)cc1 254867972 OSVRVEARPGNEHF-UHFFFAOYSA-N 474.542 3.645 50 10 JHGE O=C(OCc1ccccc1)N1CC[C@H](CI)[C@@H](I)C1 307529247 LSGAMPIIHLUEBN-OLZOCXBDSA-N 485.103 3.884 50 10 JHGE COC[C@@](C)(CBr)NC(=O)c1cc(Br)ccc1I 716905593 AMWVTVBRSXOKPK-GFCCVEGCSA-N 490.961 3.584 50 10 JHGE C[C@H](Br)C1CN(C(=O)c2ccc(I)c(Br)c2)C1 721600494 BQXNBIQOOQFNPB-ZETCQYMHSA-N 472.946 3.909 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)NC(=O)CO3)c(-c2ccc(Cl)cc2)n1 818032313 CQRDTSPKFPYNJJ-YBEGLDIGSA-N 472.892 3.994 50 10 JHGE C#CCOc1ccc(CNC(=O)NNC(=O)Nc2ccc(Br)cc2Cl)cc1 1251291324 LKPREMZHAHVVAO-UHFFFAOYSA-N 451.708 3.650 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nc(Sc3ccccc3)ns2)cc1 1465845117 PZZKYBZIXILZLV-CYBMUJFWSA-N 457.537 3.512 50 10 JHGE C#CCn1ccc(CN(CCOC)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)n1 1524967673 DAZHFEHVXPRKKV-ULJHMMPZSA-N 455.562 3.814 50 10 JHGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)c2ccc(Br)cc2)cc1 1666390273 YEBYILXRCWPSRP-UHFFFAOYSA-N 457.328 3.730 50 10 JHGE CN(C)S(=O)(=O)C[C@H](Br)c1scc(Br)c1Br 1936584870 XKFNNKBHDBTLLO-LURJTMIESA-N 456.019 3.601 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)c2cc(Br)sc2Br)CCO1 2053850408 OHVKGIMXACBHQR-POYBYMJQSA-N 462.001 3.898 50 10 JHGE CCOC(=O)Cc1c(I)cc(I)cc1CCl 2055323814 TUWOPENMNUPRGA-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE CN([C@H]1CCCCC[C@@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2115919344 SBISECIKIFAVGD-ROUUACIJSA-N 485.444 3.667 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2132544044 PFRBQBIXOVKHBB-SRSLHRDFSA-N 474.012 3.755 50 10 JHGE C[P@]1(=O)C[C@@H](Cl)[C@H](NC(=O)c2ccc(Br)cc2I)C1 2142276497 DLVXVHAYJOZFNW-UYKLKCEZSA-N 476.476 3.766 50 10 JHGE COc1ccc(S(=O)(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1CBr 2179858493 PEBOUMLXCKXAGA-QGZVFWFLSA-N 454.386 3.818 50 10 JHGE O=S(=O)(N[C@H](CBr)C[C@@H]1CCOC1)c1cc(Cl)c(Br)s1 2195486011 DGTVMZOKJJCQOP-YUMQZZPRSA-N 467.632 3.632 50 10 JHGE O=S(=O)(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1cc(Cl)c(Br)s1 2206487548 WFFGIPBQOKBOMU-VXNVDRBHSA-N 465.616 3.527 50 10 JHGE CCCN1CC[C@@H]([C@H](Br)c2ccc(I)c(C)c2)S1(=O)=O 2207104969 IDKGDSKKGLQWMN-UONOGXRCSA-N 472.186 3.850 50 10 JHGE CCn1nc(C)c(CCl)c1-n1c(C)nc(I)c1I 2255276545 AZQJNRLHZUMTSU-UHFFFAOYSA-N 490.514 3.654 50 10 JHGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 2297348590 ASAIBMVVGYFAIQ-UHFFFAOYSA-N 451.435 3.767 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1sccc1Br 2314949704 OLPANMYOYKNUNQ-UHFFFAOYSA-N 460.028 3.946 50 10 JHGE CCOC(=O)c1ccc(NC(=O)C(C#N)=CNc2ccc(I)cc2)cc1 2324345637 SRDMWONQSJBDDO-UHFFFAOYSA-N 461.259 3.926 50 10 JHGE O=[N+]([O-])c1cc(Cl)cc(Br)c1OCCOCCI 2326708673 KNDFGFGVSDFDHQ-UHFFFAOYSA-N 450.454 3.841 50 10 JHGE CCC(CC)(CBr)CNC(=O)c1c(Br)c(Br)nn1C 2338690961 MZALAVGFUWRFPB-UHFFFAOYSA-N 460.008 3.876 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2344139499 IIDWRBKOCYCBDH-YHUYYLMFSA-N 456.324 3.854 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2364016365 ARZMYQICMMVSBG-IWSPIJDZSA-N 470.003 3.723 50 10 JHGE Cc1c(CCl)ccc(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)c1C 2367944775 FVYXIOVRVIRQKF-NRFANRHFSA-N 452.935 3.808 50 10 JHGE O=S(=O)(c1sccc1Br)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370237940 FEHUIZWKXGAURU-SVRRBLITSA-N 457.131 3.990 50 10 JHGE CCOC(=O)Cn1cc(C(=O)C(=O)N2CCc3ccccc3C2)c2cc(NC(=O)[C@@H](C)Cl)ccc21 23449407 RJSJZENHRBYSST-MRXNPFEDSA-N 495.963 3.538 50 10 JHGE CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 35447498 QBIXTZCFCPXTJY-HMMYKYKNSA-N 476.558 3.794 50 10 JHGE CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 35519919 ZVCCVRIPAJRTAJ-RIYZIHGNSA-N 459.842 3.744 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59884590 ICOAEXHFUIMUBL-GCMSVZMUSA-N 465.539 3.615 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NN/C=C2\C=CC(=O)C(Br)=C2)cc1 135989109 WPCXZUOAACKYIA-FYWRMAATSA-N 452.308 3.783 50 10 JHGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OC)c1 207082008 SSBJOJGBUQLVKY-PXNMLYILSA-N 468.422 3.554 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N(CCCl)CCCl)cc1Br 216743809 AOWALZMMJRDIIG-UHFFFAOYSA-N 454.011 3.988 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccnc3)nnc2-c2ccccc2)cc1 254702003 LWVAOAGXLFLBPH-UHFFFAOYSA-N 458.547 3.970 50 10 JHGE Nc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1O 382701231 OOVFXDCDJHYJQG-CVEARBPZSA-N 452.292 3.762 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CCN2C[C@@H](Br)C[C@H]2C1 405248788 BRGQERIIUHYYRF-YUMQZZPRSA-N 473.028 3.567 50 10 JHGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1O 1082753854 RLGGODTUIZYNKE-UHFFFAOYSA-N 468.853 3.979 50 10 JHGE O=C(NNC(=O)c1ccc(Br)cc1)N[C@@H]1C[C@@H]1c1cccc(Br)c1 1116006155 FGVKGAIEWVFEFP-HUUCEWRRSA-N 453.134 3.712 50 10 JHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccoc2C)CCC3)cc1 1772749349 LPDYFPJXOKBZJN-UHFFFAOYSA-N 450.447 3.966 50 10 JHGE CC(C)CCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858680328 PAZPLDITSQBFGQ-UHFFFAOYSA-N 460.581 3.823 50 10 JHGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865713986 AHTHDFMCRYGANI-NRFANRHFSA-N 462.506 3.774 50 10 JHGE CCOC(=O)c1cnn(-c2ccc(C)cc2)c1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215326 OORKFSNJFOPPRL-HMMYKYKNSA-N 474.517 3.928 50 10 JHGE C[C@@H](Br)[C@H](NC(=O)Cc1ccccc1I)C(F)(F)F 1882674172 LBIDRLAKDMRUNJ-HQJQHLMTSA-N 450.036 3.664 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@]2(CC[C@](C)(CI)O2)CC12CCOCC2 1949511402 LENAWXGVLGJDKC-SJLPKXTDSA-N 451.345 3.919 50 10 JHGE CN(CC(F)(F)CCl)C(=O)c1ccc(I)c(Br)c1 2033568222 GIVKOAYZALYWEV-UHFFFAOYSA-N 452.464 4.000 50 10 JHGE O=C(O)CCC(=O)NCCSSCCNC(=O)OCC1c2ccccc2-c2ccccc21 2049389474 ZZVHJSFCBULMRE-UHFFFAOYSA-N 474.604 3.888 50 10 JHGE O=C(NN=C1C[C@H]2CC=C[C@@H]12)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 2059868387 RZOPDSWWKMTYDA-RDTXWAMCSA-N 460.353 3.932 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CC(n3ccnc3)C2)C1 2063778610 ASQCSEKYOSHOAE-JTTJXQCZSA-N 461.344 3.808 50 10 JHGE O=S1(=O)CC[C@@H](COc2c(Br)cc(CBr)cc2Br)C1 2092343546 RRXOOIYPZJNWOZ-QMMMGPOBSA-N 477.012 3.920 50 10 JHGE O=S(=O)(c1c(Cl)cccc1Br)N1CC(F)(F)C[C@H]1CBr 2159050496 UFUMXBDLRPRDKZ-ZETCQYMHSA-N 453.530 3.896 50 10 JHGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(C)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2179820467 YHCHXUMWZFNTFS-FUHWJXTLSA-N 456.406 3.617 50 10 JHGE CC(C)(C)OC(=O)N1CCN(C[C@H]2C[C@H]2Br)CCN(C(=O)OC(C)(C)C)CC1 2209817758 TZSIUKFMURAHGS-HZPDHXFCSA-N 462.429 3.560 50 10 JHGE CC1(C)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CCBr 2230260147 LPXCAQQKQVBVRJ-MRXNPFEDSA-N 485.444 3.526 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H](CBr)O1 2268341532 DZYYLNPDMYBKIT-WCBMZHEXSA-N 458.521 3.569 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 2314795872 YVGZCQCAJFEWSK-UHFFFAOYSA-N 491.327 3.752 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2344149096 IIDWRBKOCYCBDH-CKUJCDMFSA-N 456.324 3.854 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@H]2OCC[C@@]2(CBr)C1 2365591555 HNLXDBUZTYWLFR-TZMCWYRMSA-N 470.532 3.571 50 10 JHGE COC[C@]1(CCl)C=CCN1C(=O)c1cc(I)ccc1Br 2379831738 YPEMOHOHUXVIDZ-CQSZACIVSA-N 470.532 3.690 50 10 JHGE COc1cc(OC)c([C@@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CCC3)cc1OC 2500585 OWRHGWJOGMXAIN-HSZRJFAPSA-N 456.502 3.777 50 10 JHGE CCCCN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c2ccccc21 39918698 QUBJPEHTDZQSQK-NDEPHWFRSA-N 466.541 3.724 50 10 JHGE COc1ccc(C)cc1Nc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40584002 JTJKGTUKHWWMDS-UHFFFAOYSA-N 473.833 3.764 50 10 JHGE CCn1c(NNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O 46538708 SYITTYYRNKYJFT-JOCHJYFZSA-N 489.963 3.554 50 10 JHGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC#N 58891546 SKSLZOPANJXLJS-YNJLWJOVSA-N 460.328 3.714 50 10 JHGE CC(/C=C/c1ccccc1)=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N 58991472 ZOFJXYXDVBUJQV-OAGFINHDSA-N 471.384 3.719 50 10 JHGE COc1ccc(NC(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 59250506 WSGQEPUDOPGBDM-WYMPLXKRSA-N 450.451 3.655 50 10 JHGE COc1ccc(CCNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccccc3C)c3ccccc32)cc1 102673703 NZUXQTDNFCNADM-OCOZRVBESA-N 464.525 3.787 50 10 JHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)NCCCn1ccnc1 102855530 QEEALLQZTKAABU-ZHZULCJRSA-N 467.489 3.757 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@H]1CBr 124736117 PUJPVIMVIQMBKE-VIFPVBQESA-N 462.001 3.760 50 10 JHGE COc1cccc(CCN/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)c1 217254388 JJQWHENZJZNDTQ-SSZFMOIBSA-N 461.303 3.787 50 10 JHGE CCOC(=O)Cc1csc(=NC(=O)/C(C#N)=C/c2ccccc2)n1C(=O)/C(C#N)=C/c1ccccc1 254759453 MZMZULLIFGTMEV-TWALJRDUSA-N 496.548 3.937 50 10 JHGE O=C(NNS(=O)(=O)c1csc(-c2cccc(Br)c2)n1)c1ccc(Cl)cc1 730766482 NLMBSHXMLDLTEV-UHFFFAOYSA-N 472.773 3.849 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC(=O)O 1083971192 UHQFWKAMVFNECN-QFIPXVFZSA-N 484.549 3.640 50 10 JHGE COc1ccccc1NCCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(SC#N)cc1 1866891301 KZDGLWYUSQOOPA-LJQANCHMSA-N 458.609 3.947 50 10 JHGE COc1ccc(-n2nncc2C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1 1866923035 NTGWJAYUDMAACF-HSZRJFAPSA-N 484.541 3.959 50 10 JHGE CCn1cc(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)nc1Br 1916366536 KKOVQJGXNJHBBD-CQSZACIVSA-N 459.182 3.718 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(I)cc1 2010828477 HCTCQUZPLNAHMF-UHFFFAOYSA-N 482.409 3.927 50 10 JHGE O=C(c1sccc1I)N1C[C@H](CBr)OC2(CCC2)C1 2109477053 YSSNAMDQYRSPPV-VIFPVBQESA-N 456.143 3.511 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Br)cc(Br)c2)C[C@@H]1Br 2130822376 LVXHSGUDZLTCSO-GRYCIOLGSA-N 455.972 3.882 50 10 JHGE Clc1cc(CN2CCN3C[C@@H](Br)C[C@@H]3C2)ccc1I 2142949873 NASWXOUWADBOFZ-NWDGAFQWSA-N 455.565 3.598 50 10 JHGE CCn1cc(S(=O)(=O)N(C)[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1CBr 2179786470 AVUZPBOHCRXRRZ-APWZRJJASA-N 454.434 3.686 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2264843587 AIZPSXCCAKFHMV-NGZCFLSTSA-N 455.159 3.916 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2267109938 WWTKUUYVHNHAJC-UHFFFAOYSA-N 482.477 3.622 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCC[C@@H](OCCBr)C1 2283666232 YQQNEHFVQMZCTN-LLVKDONJSA-N 472.548 3.961 50 10 JHGE CCOc1cccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 2295483009 QNCHLTTUODIJKQ-UHFFFAOYSA-N 472.545 3.778 50 10 JHGE BrC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CCO1 2306222228 RECKHWUWWACOKN-SNVBAGLBSA-N 474.962 3.649 50 10 JHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc1ccccc1Cl 2313621212 OLKFHYOIVFCZCX-UHFFFAOYSA-N 479.389 3.756 50 10 JHGE O=C(NN=Cc1ccc(Cl)cc1Cl)[C@@H](Sc1nnc(O)nc1O)c1ccccc1 2323176723 CEGNPPYHKXTDCO-AWEZNQCLSA-N 450.307 3.573 50 10 JHGE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325071933 XVZIMTSJCGNHRW-VFNWGFHPSA-N 493.692 3.582 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCC[C@H]1CCBr 2338835371 GBMOBRKZEXTFQB-KRWDZBQOSA-N 485.444 3.812 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCC[C@H](CBr)C1 2338862299 WPSZYSPPFXSFIW-YUMQZZPRSA-N 457.992 3.629 50 10 JHGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 10471909 LZGPHHCBABZVIR-INIZCTEOSA-N 451.548 3.730 50 10 JHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Cl)cc(Br)c1O 39724896 MRALRKNXCMSPIK-WYMPLXKRSA-N 482.762 3.867 50 10 JHGE COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1OC 58987665 BVYNJQJBINILIP-VULFUBBASA-N 474.546 3.589 50 10 JHGE O=C(NNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)c1ccc(-c2ccc(F)cc2)s1 72020675 SWNFVRDBAGNTPX-KRWDZBQOSA-N 457.552 3.610 50 10 JHGE CC(C)n1nc(C(=O)NNC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)c2ccccc2c1=O 107909638 BPMHPVBWIUJLFI-UHFFFAOYSA-N 484.560 3.507 50 10 JHGE CC(=NOCC(=O)NN=Cc1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1cccs1 263629201 RIEAJYHNDNKJBO-UHFFFAOYSA-N 470.576 3.748 50 10 JHGE O=S(=O)(CCCCCl)Nc1cc(Br)ccc1I 304216521 YVKBYMQDHWDMED-UHFFFAOYSA-N 452.539 3.814 50 10 JHGE O=[N+]([O-])c1ccc(-n2cnc(I)c2I)c(CCl)c1 381020490 XFEVKTFQBSAAPB-UHFFFAOYSA-N 489.438 3.729 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2scc(Br)c2Br)C1 707817679 RSWAGGRLYKSBLL-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)O[C@@H](C(N)=O)c2ccccc2)c(-c2ccc(Cl)cc2)n1 821892332 ACMDZYFTKJWISK-ZAVKOYKVSA-N 459.893 3.794 50 10 JHGE Cc1cccc(COc2c(Cl)cc(C=NNC(=O)CN3CCOCC3)cc2Br)c1 1084043637 QGFZCNPIABUTKG-UHFFFAOYSA-N 480.790 3.772 50 10 JHGE CC(C)(CBr)[C@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2099642737 KGPXIPPZUOLQBV-GOSISDBHSA-N 485.444 3.668 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146693178 MFZFAKRTDZJTAA-BIMULSAOSA-N 467.983 3.979 50 10 JHGE CC(C)(C)[C@@]1(CBr)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2160930471 FNGNMONTLXBPCF-JOCHJYFZSA-N 499.471 3.916 50 10 JHGE COC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1csc(N(C)C[C@H]2C[C@H](Br)C2)n1 2198614418 AAYQTGRAKSUXNF-JHJVBQTASA-N 462.410 3.882 50 10 JHGE CC[C@]1(CBr)COCCN1C(=O)c1ccc(C)c(I)c1 2232831304 RJLXUQSFHAZKQY-HNNXBMFYSA-N 452.130 3.616 50 10 JHGE CC(C)(CI)CN1C[C@@H](NC(=O)OC(C)(C)C)C[C@@]12CCCOC2 2306817485 ZPNDTKVNCOCBBE-KBXCAEBGSA-N 452.377 3.596 50 10 JHGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2313862244 PHZBGZFAWTWPLM-UHFFFAOYSA-N 470.551 3.903 50 10 JHGE COc1cccc(-c2ccc(C(=O)NN=C(C)c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)c(C)n2)c1 2321272465 IUELQUUPDWQBHL-KRWDZBQOSA-N 458.518 3.963 50 10 JHGE CN1CCN(Cc2ccc(Cl)cc2I)[C@@H](CCBr)C1 2341013056 ROKLWVXWHIBXTN-ZDUSSCGKSA-N 457.581 3.846 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CC2(CC[C@H](CBr)O2)C1 2361996643 WECCXTQHGGBWLF-SECBINFHSA-N 467.983 3.980 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)CCC12CCC2 2364228081 IDHWHFOSNWYKNP-QMMMGPOBSA-N 470.003 3.867 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC2(CBr)CCC1CC2 2364228478 NAYSPKOZBIVMLE-UHFFFAOYSA-N 470.003 3.725 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384951 SQPUCTWRUSMJON-NUYDQDRBSA-N 464.334 3.845 50 10 JHGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC[C@@]3(C)C1(C)C 100945781 PCOAYKYOJRIKCS-CLJLJLNGSA-N 473.533 3.945 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC[C@H](Br)C1 232470104 RWWMTXAXDIIZCJ-ZETCQYMHSA-N 458.919 3.663 50 10 JHGE COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254740605 WZJJIHXJHYGVHR-UHFFFAOYSA-N 481.377 3.976 50 10 JHGE COc1ccc(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 254795444 PWXAKWFQQMFHHT-UHFFFAOYSA-N 457.465 3.776 50 10 JHGE O=C(NN=C1C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21)c1ccc(F)cc1 254851591 PKDAWHOUIYQCOC-QFIPXVFZSA-N 457.509 3.886 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)c2cc(Br)ccc2O)cc1 1084212853 DVEAIXUJHNNZER-UHFFFAOYSA-N 489.347 3.995 50 10 JHGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)no2)c1 1135628068 MBGROACNGPHONT-CYBMUJFWSA-N 453.520 3.717 50 10 JHGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 1206204016 ZUOICCBREHMZIY-LBPRGKRZSA-N 452.280 3.773 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc3nc(C(F)(F)F)oc3c2)cc1 1476794399 WZAZLQOZIPRKNK-LLVKDONJSA-N 450.373 3.669 50 10 JHGE COC(=O)c1c(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc(/C(C)=C/C#N)c1C 1873428359 OJGOCEBRRPNMFW-XYOKQWHBSA-N 496.501 3.693 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2ccc(I)c(Cl)c2)C1 2109024051 MPMDYMUEAJDIRK-VHSXEESVSA-N 458.521 3.569 50 10 JHGE O=C(c1csc(I)c1)N1C[C@H](CBr)OC2(CCC2)C1 2109478965 OUJNSRVAJREOEG-JTQLQIEISA-N 456.143 3.511 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)c2cc(Cl)ccc2I)CCO1 2117530745 GWRGAIDGRDAHRQ-QPUJVOFHSA-N 458.521 3.569 50 10 JHGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(CCBr)s2)CN1Cc1ccccc1 2123238251 UNYQGCKLRKLNGF-DOTOQJQBSA-N 457.459 3.969 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179865873 YIUVPZWCNMWSKP-UHFFFAOYSA-N 452.418 3.586 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2196938259 ZUXUACAOPUYSAQ-SCZZXKLOSA-N 494.018 3.887 50 10 JHGE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2282133887 JHTBGMCOMHAXJV-UHFFFAOYSA-N 496.504 3.930 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1CC[C@@H](OCCBr)C1 2295309503 KFCWBCPYOODZDU-CYBMUJFWSA-N 469.999 3.767 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)Cc1cc(Br)cc(Br)c1 2295310517 XUSUFDAUGBBIDE-CQSZACIVSA-N 469.999 3.767 50 10 JHGE C#CCOc1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313566969 FLQGUTFLQNWVEC-UHFFFAOYSA-N 497.336 3.559 50 10 JHGE CC[C@H](C)N(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827747 UMWCOAVOLCIDNJ-INIZCTEOSA-N 473.433 3.668 50 10 JHGE CCN1C(=O)COc2ccc(C(C)=NNC(=O)c3ccc(-c4cccc(OC)c4)nc3C)cc21 2321272745 XMESNNCORJTKJJ-UHFFFAOYSA-N 458.518 3.965 50 10 JHGE CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)c(SC#N)c1C 10099555 KLHKLIGOHLUDLK-UHFFFAOYSA-N 479.605 3.842 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C2CCCCC2)c(Br)c1 12403541 RMTMYOYTEBXVOA-UHFFFAOYSA-N 470.433 3.728 50 10 JHGE CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cn(C)c2ccccc12 15092952 ZRWGZLSADIBEAK-SFHVURJKSA-N 493.416 3.798 50 10 JHGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 38650018 UGIVTOBJGDQACC-DEOSSOPVSA-N 473.441 3.806 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2F)nnc1-c1ccc(Br)cc1 58989284 SCPYKFSMFYJTOU-FSJBWODESA-N 477.363 3.583 50 10 JHGE COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(COc3ccccc3C(N)=O)c2)c1 96438726 HHZRKWCTFGMFPZ-PDGQHHTCSA-N 457.486 3.927 50 10 JHGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4cccc(Cl)c4)c(C)c32)c1 101613074 GAZORPFPGZDMMN-ZXVVBBHZSA-N 494.935 3.795 50 10 JHGE Cc1cccc(OCC(=O)N[C@@H](C)C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1 252599249 DHKFLACBAOPGMB-KRWDZBQOSA-N 464.478 3.505 50 10 JHGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 254766287 LWDIXUHHYJGBDX-DEEHQUFZSA-N 457.490 3.582 50 10 JHGE CCc1cc2c(=O)n(CC(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)cnc2s1 254866166 ATNSEAWFMOKABW-UHFFFAOYSA-N 476.558 3.758 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCSC[C@H]1CBr 387592294 OZOIBVPLUWQJQP-SECBINFHSA-N 494.068 3.713 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCS[C@@H](CCCl)C1 720002717 HMMIIKVVCAPCFS-JTQLQIEISA-N 463.644 3.947 50 10 JHGE Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1 727898653 OLCXTGQWPCIPSQ-UHFFFAOYSA-N 488.475 3.833 50 10 JHGE COc1ccc(Br)c(C(=O)NNC(=O)N[C@H](C)Cc2ccc(Br)cc2)c1 728746487 TUAPPOPGZTZFNQ-LLVKDONJSA-N 485.176 3.795 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2scc(Br)c2Br)c1 1558199572 JDEZDRCKOULOCF-UHFFFAOYSA-N 459.188 3.886 50 10 JHGE CC(=O)CCc1ccc(OCCC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)cc1 1627041721 CZNAYSNWLQAKJN-UHFFFAOYSA-N 451.445 3.527 50 10 JHGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)c(Br)c1 1772752957 YAIPWJNEKCDADG-UHFFFAOYSA-N 487.104 3.663 50 10 JHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1 1772760502 DSJIXZGUEUZSKS-UHFFFAOYSA-N 489.557 3.831 50 10 JHGE O=C(N[C@H](CC[S@](=O)C[C@@H]1C[C@@H]1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893118494 IKWSSANVRHZZSS-MQQYUFSESA-N 461.967 3.744 50 10 JHGE O=C(c1csc(I)c1)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924241319 JMCKKBMWFNQTMM-MFKMUULPSA-N 456.143 3.511 50 10 JHGE CC(C)(C)OC(=O)NC1(CC(=O)NC[C@H]2C[C@@H]2Br)CCN(Cc2ccccc2)CC1 1991445174 MYLHXVLCDVXGOQ-MOPGFXCFSA-N 480.447 3.836 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2COC3(CCC3)C2)CC1 2020647375 VPLBIYOLRLDYAK-CQSZACIVSA-N 451.345 3.919 50 10 JHGE O=C(C=Cc1ccccc1)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 2042443566 XFCJKZUDKOPNMT-UHFFFAOYSA-N 468.601 3.645 50 10 JHGE CCOC(=O)c1cc(I)c(I)c(CBr)c1 2055233216 VZWGIVGVLHSBCF-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE C[C@@H](CCCCCI)NS(=O)(=O)c1cncc(Br)c1 2117894303 LGJLAXBBXWDONC-JTQLQIEISA-N 461.163 3.506 50 10 JHGE CS(=O)(=O)C1([C@@H](Br)c2cc(I)cc3c2OCC3)CCC1 2166699916 SOCUEEZIJQYGOI-ZDUSSCGKSA-N 471.154 3.629 50 10 JHGE C[P@@]1(=O)C[C@H](NS(=O)(=O)c2ccc(Br)cc2Cl)[C@@H](Br)C1 2177852271 WVPUJPCCYYKCKN-UFHPCEOVSA-N 465.531 3.519 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179826804 XBHIFNPJGBDPDC-FQEVSTJZSA-N 469.470 3.972 50 10 JHGE Cn1ncc(I)c1Cn1c(CCl)nc2cc(Br)ccc21 2189873209 YTXWBTHBTLWFFL-UHFFFAOYSA-N 465.520 3.924 50 10 JHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1 2268641572 BXFUGVODVLNKFL-QUGAMOGWSA-N 486.377 3.567 50 10 JHGE CN(C)[S@](=O)(=NCCCCCCCBr)N1CCN(C(=O)OC(C)(C)C)CC1 2294700496 GDLCTQYJXVDAPJ-HHHXNRCGSA-N 469.490 3.744 50 10 JHGE CCc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3)C2=O)cc1 2295914232 WZKPEQIXLIHYFC-UHFFFAOYSA-N 453.589 3.692 50 10 JHGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313566987 AFYMKDQADUSFEA-UHFFFAOYSA-N 459.296 3.730 50 10 JHGE COc1cc(C=CC(=O)NN)cc(I)c1OCc1ccccc1Cl 2314013947 HGPCEDLBCSENAI-UHFFFAOYSA-N 458.683 3.535 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccc3nc(Cc4ccccc4)[nH]c3c2)cc([N+](=O)[O-])c1O 2323724287 VYYBLFMPOZOIPN-UHFFFAOYSA-N 459.462 3.930 50 10 JHGE COC[C@@](C)(CCBr)NC(=O)c1ccc(Cl)cc1I 2340065741 MRQMXDUPHCVJSK-CYBMUJFWSA-N 460.537 3.865 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 2364019060 LEDFTTJWTULXGH-DJLDLDEBSA-N 470.003 3.866 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2364216429 OBXOILSIZMJLJV-NNZMDNLPSA-N 497.455 3.811 50 10 JHGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)c1 10471820 IXNCFCMPZPGBBE-UHFFFAOYSA-N 463.559 3.855 50 10 JHGE COc1c(O)cc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2C)cc1Br 20352510 BYXIQJKSAHUZOD-LSHDLFTRSA-N 468.735 3.994 50 10 JHGE N#C/C(=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1)c1nc2ncc(Br)cc2[nH]1 33247721 INDGEAIYMFFNLA-WZUFQYTHSA-N 460.247 3.928 50 10 JHGE Cc1ccccc1NCc1nnc(S[C@H](C)C(=O)NNC(=O)C2CCC2)n1-c1ccccc1 59878167 PLGPKLMTUBNXSP-QGZVFWFLSA-N 464.595 3.616 50 10 JHGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccccc4C(=O)O)ccc3[nH]2)cc1OC 169925455 LRARCTBNLVAMTM-WGARJPEWSA-N 458.474 3.633 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H](CBr)O1 235683922 MJEQNBXHJYFASR-WPRPVWTQSA-N 455.972 3.836 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3ccc4ccccc4n3)c3ccccc32)cc1 254416430 ZYOOETOIEXEEDN-UHFFFAOYSA-N 463.497 3.663 50 10 JHGE COc1cc(C(C)=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc(OC)c1OC 254808395 HNDVSJWQCHAXMM-UHFFFAOYSA-N 489.575 3.729 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c(C)n1-c1ccc(F)cc1 786605275 FXDMGRHVVMXYKU-UNOMPAQXSA-N 472.476 3.669 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=CC(Cl)(Cl)Cl 1084388528 JEUQROHUWTZSRJ-UHFFFAOYSA-N 461.806 3.949 50 10 JHGE COc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc([N+](=O)[O-])c1O 1772755942 VLFVRKKIMZPTKX-UHFFFAOYSA-N 466.288 3.689 50 10 JHGE CCOC(=O)c1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858681889 OOILCMASDQUCNI-UHFFFAOYSA-N 480.433 3.795 50 10 JHGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(n3cnnc3C)CC2)n1 1868253602 NHUZKKDSIZETQL-UHFFFAOYSA-N 450.572 3.724 50 10 JHGE CN1C[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 1904325872 CXDIVQXSOMSQOK-ONGXEEELSA-N 458.963 3.921 50 10 JHGE BrC[C@@H]1[C@H]2CN(c3ncc(I)cc3Br)C[C@H]21 1988534865 PZCUINGGKXVXQT-PSVAKVPMSA-N 457.935 3.526 50 10 JHGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(CBr)oc2Br)C1 2059264518 GWPFFNLFUIPTAW-CQSZACIVSA-N 492.233 3.832 50 10 JHGE C[C@@H](Br)CN1CCN(Cc2ccc(I)c(Cl)c2)CC1 2142949067 GPDAUXCQVQMUNG-LLVKDONJSA-N 457.581 3.846 50 10 JHGE C[C@@H](NS(=O)(=O)N1CCC(Br)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1 2162589737 UBGZNADLOBEJLL-CYBMUJFWSA-N 462.410 3.788 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@H](CBr)OCC12CC2 2183974545 OEBPDMDDXZJUIM-JTQLQIEISA-N 470.532 3.713 50 10 JHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1ccc(Cl)c(I)c1 2268350654 JJNVUPZYAULVPQ-ZJUUUORDSA-N 458.521 3.617 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)c1ccc(Cl)c(I)c1 2268357886 XSQXHAAEVRINON-ZDUSSCGKSA-N 458.521 3.571 50 10 JHGE Cc1c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)nn1C 2303547478 VCXCLAKNLDRJFH-AWEZNQCLSA-N 459.182 3.591 50 10 JHGE COc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)ccc1OCc1ccccc1 2323098011 UNBLTMYHWSNVMC-UHFFFAOYSA-N 456.502 3.594 50 10 JHGE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)c(Cl)c1 2369466667 PWBLAZLUPZIHEC-CQSZACIVSA-N 477.764 3.897 50 10 JHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)c(Br)c2)cc1C 10153521 OBFUPCIXKOKAHZ-LPHOPBHVSA-N 491.382 3.852 50 10 JHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 13980234 UKTYZAHPXHMKMW-UHFFFAOYSA-N 463.719 3.602 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040899 NRZUKIDJYGGHLS-UHFFFAOYSA-N 454.910 3.946 50 10 JHGE COc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 14642247 GVRMJTNTUXERPG-UHFFFAOYSA-N 485.334 3.973 50 10 JHGE CCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20616155 JFIYMWUJDRHBLG-WJXADJKVSA-N 484.600 3.559 50 10 JHGE biogenic COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccccc2)CCC3)cc1 40815721 CQNFIXSVIAWVGP-NHFJDJAPSA-N 460.486 3.993 50 10 JHGE CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 59463995 BOMOWOIFPVQIDO-JFLMPSFJSA-N 479.602 3.890 50 10 JHGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217090260 CATAJOXXVRYCNK-SQFISAMPSA-N 495.388 3.781 50 10 JHGE CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(I)cc1 217157039 UZKRPHVDDGTLOL-SEYXRHQNSA-N 461.259 3.926 50 10 JHGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc(I)c1O 725426194 CDFYOKBLRNPKHO-UHFFFAOYSA-N 495.317 3.608 50 10 JHGE CCOc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)cc1 730586719 AZAWIILYIKJYAT-LXGCGDOSSA-N 455.580 3.929 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)N(C2CCCC2)C2CC2)c(-c2ccccc2)n1 918804122 FXZQLPYLJWZCAX-HKWRFOASSA-N 457.534 3.848 50 10 JHGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1 1084011294 HBKIUZXOGFBLCR-SFHVURJKSA-N 486.569 3.547 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)c1C 1087231538 PQFSQHBGOISBNC-JPHFINKHSA-N 454.615 3.907 50 10 JHGE COc1ccc([N+](=O)[O-])c([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)c1 1614639281 QPTKSIJYZXYDNS-SMDDNHRTSA-N 462.284 3.989 50 10 JHGE Cc1ccc(SCCCC(=O)NNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)cc1 1865755892 VVBGFBOCPPWUBQ-UHFFFAOYSA-N 488.569 3.520 50 10 JHGE Cc1ccc2[nH]c(C(=O)O)c(/C=N/NC(=O)COc3ccc(C(=O)NCc4ccccc4)cc3)c2c1 1873496419 QHZXHDMCCRFGAU-WKULSOCRSA-N 484.512 3.634 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1873795074 QMYFHFMRMINYGU-QOJWJBQSSA-N 491.180 3.767 50 10 JHGE O=C(NC[C@]1(CBr)CCCO1)c1c(Br)cccc1Br 1879596361 RJTWWTFDXXYRPP-CYBMUJFWSA-N 455.972 3.886 50 10 JHGE O=C(NCCOCCCI)c1cc(Br)c(Cl)s1 2004905668 ZTOGZYRMTHLCGL-UHFFFAOYSA-N 452.539 3.736 50 10 JHGE CN(C)c1ccc(/C=N/NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 2033817442 IGIIVKDNFUOKOZ-SGWCAAJKSA-N 459.594 3.593 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2cccc(Br)c2Br)C1 2092341048 XNVDUINORYHOIL-DTWKUNHWSA-N 455.972 3.836 50 10 JHGE C[C@H](Br)C12CCC(CC1)N2C(=O)c1cc(I)ccc1O 2153386523 PGUBHTOAKSVDKF-IEBVAXJPSA-N 450.114 3.917 50 10 JHGE Cc1c(CBr)cccc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2256378152 ZHNBXZVDXQLPCR-UHFFFAOYSA-N 465.369 3.708 50 10 JHGE CN1CCC[C@@H]([C@@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2268283293 CCLZILUDEZNQCF-RYUDHWBXSA-N 478.577 3.805 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(F)(F)F)CCN1CCOCCI 2326654779 RVCRPSKLUZPCAE-CHWSQXEVSA-N 480.309 3.606 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 12570038 HQEAVCLGRUDFJF-JTQLQIEISA-N 476.769 3.515 50 10 JHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1Br 14660377 RGAZHLICRHNKQG-UHFFFAOYSA-N 470.776 3.839 50 10 JHGE Cc1ccc(-c2cc(C(=O)NNC(=O)c3sc4ncn(C)c(=O)c4c3C)c3ccccc3n2)cc1 17198379 HRJOBVWNERXJOR-UHFFFAOYSA-N 483.553 3.902 50 10 JHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813264 ULVFXZNQWGDFHI-LGUFXXKBSA-N 456.974 3.878 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 206399217 MXYDDHYQXCLWRD-MOSHPQCFSA-N 487.468 3.811 50 10 JHGE N#Cc1ccc(OCC(=O)NNC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 212412115 MSCZVLPRXGQYJP-RAXLEYEMSA-N 469.526 3.712 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)cc3)n2-c2ccccc2)cc1 254738050 FBBMKEVTUVECPY-UHFFFAOYSA-N 459.531 3.891 50 10 JHGE COc1ccc(-c2cc(-c3ccc(F)cc3)cc(-c3ccc4c(c3)N(CC(=O)NN)C(=O)CO4)n2)cc1 725330520 GIUCNTFOQLSYCL-UHFFFAOYSA-N 498.514 3.946 50 10 JHGE COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CI)cc1[N+](=O)[O-] 725432737 KLDDVDPUIWCWOY-STQMWFEESA-N 462.284 3.989 50 10 JHGE CCCOc1ccc(CNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cn1 730907757 JWYDXHHNXXXIHT-UHFFFAOYSA-N 452.486 3.733 50 10 JHGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C 1167048044 HQIJYFYZCIIKOI-UHFFFAOYSA-N 459.543 3.719 50 10 JHGE CC(=O)N(CCC(=O)NNc1cccc(OC(F)F)c1Br)Cc1ccccc1 1595245492 MVQZGVVYLWUPAQ-UHFFFAOYSA-N 456.287 3.932 50 10 JHGE Cc1sc2ncn(CC(=O)N/N=C/c3cc(Cl)ccc3O)c(=O)c2c1-c1ccccc1 1860773072 OUPZSMRDFLAEIX-KIBLKLHPSA-N 452.923 3.943 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)COc3ccccc3Cl)c(C)n2)cc1OC 1865758032 GCPJWJAIPFLIQY-UHFFFAOYSA-N 455.898 3.568 50 10 JHGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866617834 MJTUSTBEKKATSU-HNNXBMFYSA-N 464.547 3.659 50 10 JHGE C=CCC(CBr)(CBr)Cc1nn(C)cc1I 1902312538 GQOIXXSINHAHHS-UHFFFAOYSA-N 461.967 3.920 50 10 JHGE C[C@H](Br)C1(NS(=O)(=O)c2cc(Br)ccc2Br)CC1 1913497896 OLALMHSRWKSHQC-ZETCQYMHSA-N 462.001 3.806 50 10 JHGE CC(C)(CBr)NC(=O)c1ccc(Br)cc1I 1995285463 HVSKMXGNLWMTLM-UHFFFAOYSA-N 460.935 3.957 50 10 JHGE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2163647593 YBNWFMLJIJNFNR-RDJZCZTQSA-N 461.422 3.895 50 10 JHGE Cc1cccc(C(=O)N2C[C@H](CCBr)O[C@H](C)C2)c1I 2179377560 XJPBXERGNWXDMD-NEPJUHHUSA-N 452.130 3.614 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H](CBr)OCC12CC2 2183975132 VFJFRFFHJRLBJL-GFCCVEGCSA-N 467.983 3.980 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@H]1C1CC1 2196364532 ORJXSBRSUZIDPE-IAGOWNOFSA-N 459.406 3.648 50 10 JHGE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1csc(N(C)C[C@@H]2C[C@H]2Br)n1 2198793576 ZSJJUEDDBWLGTB-YNEHKIRRSA-N 462.410 3.882 50 10 JHGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)C(C#N)=C3Nc4ccccc4N3C)cc2)C1 2297476752 LYMLIPMOFSVQMS-IRXDYDNUSA-N 450.564 3.833 50 10 JHGE CCN(CCOCCI)[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2306802893 SWFGJPBRBZTFAX-HOTGVXAUSA-N 454.393 3.843 50 10 JHGE COC(=O)[C@@H](CCBr)OCc1cc(I)ccc1Br 2318982064 IZKDOVXUGLSXIF-LLVKDONJSA-N 491.945 3.897 50 10 JHGE COCCN1C[C@H](Cl)[C@H](Cc2ccc(I)c(Br)c2)C1 2349839146 ZDLQEJQLBKAIPE-YPMHNXCESA-N 458.565 3.782 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCl)[C@@H]1CC=CCC1 2364213596 HVVUEFOSKGBLEY-XLIONFOSSA-N 453.004 3.726 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12492186 OMWQJQQPOKMJJO-UHFFFAOYSA-N 452.854 3.884 50 10 JHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1Br 14776652 HPAIEKXEUIXQTF-UHFFFAOYSA-N 489.395 3.527 50 10 JHGE Cc1sc2[nH]c(SCC(=O)N/N=C3\C(=O)Nc4ccccc43)nc(=O)c2c1-c1ccccc1 19646026 SLUGZPAXENOSOD-UHFFFAOYSA-N 475.555 3.525 50 10 JHGE CCN1CCN(c2c(CN(CCCOC)C(=O)C(C)(C)CCl)c(C)nn2-c2ccccc2)CC1 34835151 LWEGCFQLTHQNOY-UHFFFAOYSA-N 490.092 3.953 50 10 JHGE COc1cc2ccccc2cc1C(=O)N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21 59165542 ROPUBPNTXKYJNO-AZPGRJICSA-N 456.546 3.815 50 10 JHGE CCCCCCNC(=O)/C(C#N)=C1/N=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 102984979 MVXAYEHMGGRYRL-BSYVCWPDSA-N 490.560 3.834 50 10 JHGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(OC)cc2OC)NC(=O)c2ccccc2)ccc1O 252617004 KKHBSVDREUSBSG-ZTXNUQNHSA-N 489.528 3.729 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1 254290311 KODWZDYZGIEWNQ-UHFFFAOYSA-N 463.446 3.742 50 10 JHGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 254875037 VETBGOJJIHHPNB-UHFFFAOYSA-N 469.457 3.983 50 10 JHGE COCC[C@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 379597327 SMOUXMYJFXZNOV-MRVPVSSYSA-N 470.010 3.834 50 10 JHGE O=C(NCCc1ccn(-c2ccccc2)n1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726254809 YKTDMJAHGBTLHV-UHFFFAOYSA-N 473.508 3.777 50 10 JHGE COc1ccc(Br)c(C(=O)NNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)c1 728746488 TUAPPOPGZTZFNQ-NSHDSACASA-N 485.176 3.795 50 10 JHGE Cc1ccc(Cn2ncc3c(C(=O)NNC(=O)c4cn(C)c5ccccc45)cc(C)nc32)cc1 1248468082 ZEDOGRWFSRBDAV-UHFFFAOYSA-N 452.518 3.663 50 10 JHGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O 1865758154 LVIKACXMEZNQIU-UHFFFAOYSA-N 474.492 3.523 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCC[C@@H](CI)O2)C[C@@]12CCCOC2 1950593454 NPGPAZMIDQXIRH-QGTPRVQTSA-N 451.345 3.919 50 10 JHGE O=C(NNC=C1C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccncc1 2042453356 FGRYGOSNTIGYEV-UHFFFAOYSA-N 452.392 3.563 50 10 JHGE O=C(Cl)c1cc(I)cc(I)c1OC(F)F 2060170591 LSNJUSKDMZCBOE-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE C[C@H](Br)CN1CCN(C(=O)c2csc(Br)c2Br)CC1 2113854756 VCCLITNYVTXVCS-QMMMGPOBSA-N 475.044 3.814 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)c1ccc(CBr)cc1)c1ccco1 2172876756 ICOUGJYBWSLTBB-HNNXBMFYSA-N 459.362 3.719 50 10 JHGE C[C@H](Br)CN(CCC(C)(C)C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2259734506 UACGJJUXSSZMDF-HNNXBMFYSA-N 473.433 3.524 50 10 JHGE CCOc1c(I)cc(C=C(C#N)C(=O)NCc2ccco2)cc1OC 2293763569 KMTQLRSYQFGJMW-UHFFFAOYSA-N 452.248 3.515 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@H]1CNC(=O)OC(C)(C)C 2325064013 MHTPKQJNHPDWAK-YCRPNKLZSA-N 493.692 3.630 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCCC[C@H](CBr)C1 2338864515 WEIBOSIRBRPJJH-MRVPVSSYSA-N 457.992 3.582 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCl)C1CCCCC1 2364203006 ZFXSFPCWCSVQHG-FQEVSTJZSA-N 455.020 3.950 50 10 JHGE C=CCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 14023726 BQXKUHZHIJWTFY-UHFFFAOYSA-N 484.144 3.616 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2Cl)c(Br)c1 14026957 TUZSXTBNUKXEJC-GFCCVEGCSA-N 455.736 3.659 50 10 JHGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40611766 WETGJECUIPRNRZ-UHFFFAOYSA-N 477.481 3.509 50 10 JHGE CC1(C)CC(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])CC(C)(C)N1 40645223 AOEXOUZPLBOXGW-UHFFFAOYSA-N 492.378 3.625 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1ccc(F)cc1 40649283 IXYMHNYJYOJJKY-UHFFFAOYSA-N 494.224 3.629 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)c1ccc(Br)cc1 232874287 NIFWXABKDCQFGH-UHFFFAOYSA-N 464.017 3.666 50 10 JHGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)c1ccccc1Br 253576043 VIOXDYQVBKDLLS-BUVRLJJBSA-N 468.355 3.544 50 10 JHGE CN(CCBr)CCN(C)C(=O)c1scc(Br)c1Br 707845080 WPOANYNCJMYNLO-UHFFFAOYSA-N 463.033 3.672 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)CSc1ccccc1 1083987902 SVZDPGUKCZOPPU-UHFFFAOYSA-N 454.468 3.548 50 10 JHGE C#CCOc1cc(F)ccc1NC(=O)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 1215512311 FUFXNJQRWYNMPA-UHFFFAOYSA-N 459.474 3.500 50 10 JHGE CCC[C@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1867219589 JJGBRTXWDIKRFC-NRFANRHFSA-N 481.622 3.557 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918940253 QCLRGOSRANQQBG-ZFWWWQNUSA-N 450.114 3.777 50 10 JHGE CCN(C[C@@](C)(CI)O[C@@H]1CN2CCC1CC2)C(=O)OC(C)(C)C 2021067725 IOESONTWSWAXLF-CRAIPNDOSA-N 452.377 3.548 50 10 JHGE CCCCCC[C@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(O)C4=C[C@@H]1C[C@@H](O)CCCC)C(=O)OC3=O 2080455845 PWYXBNKHHZEXDU-QGCUYBMJSA-N 460.567 3.722 50 10 JHGE O=C(c1sccc1I)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2107045651 PZOWMGLWMFFISM-BQBZGAKWSA-N 468.076 3.998 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179953511 AXJAAKJEGGTFTN-ROUUACIJSA-N 465.404 3.866 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Cl)c1ccc(Br)cc1I 2207267841 NTZCUQTUYITWFZ-NWDGAFQWSA-N 470.532 3.712 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H]2COC[C@]2(CBr)C1 2234565759 IHQBAVPANVXXOJ-XPTSAGLGSA-N 467.983 3.695 50 10 JHGE C[C@H](N(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)Oc1ccc(B(O)O)c(C(F)(F)F)n1 2240287108 KWLCBIFHDBZOBP-HNNXBMFYSA-N 482.308 3.763 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@H](CBr)C[C@H]2CCOC2)c1 2240900380 CSBVZOSGJKXXJT-NEPJUHHUSA-N 452.130 3.520 50 10 JHGE Cc1cc(C(=O)NC[C@@H]2CC[C@H](CBr)CO2)ccc1I 2279420464 HBVLLNRXQJGJCJ-YPMHNXCESA-N 452.130 3.520 50 10 JHGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cncc(CBr)c2)C1 2283298568 JCAQEVQEDZRLDO-DLBZAZTESA-N 452.418 3.508 50 10 JHGE ClC1CCN(CCNCc2ccc(I)c(Br)c2)CC1 2349848123 PTBQHAISBKDHQL-UHFFFAOYSA-N 457.581 3.847 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Cl)CN1Cc1ccc(I)c(Br)c1 2349862864 RKVLHYLXZRYHBI-NEPJUHHUSA-N 457.581 3.797 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(CCl)C2 2364194418 FYZMJVPUYCOBHO-ROUUACIJSA-N 453.004 3.655 50 10 JHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 9822172 DMXLSHJVMZPIPH-UHFFFAOYSA-N 493.585 3.630 50 10 JHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12492202 RSDDMCCWDAKWOM-UHFFFAOYSA-N 459.673 3.735 50 10 JHGE COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1I 12573819 HKCNLPBPFSWSIJ-QGMBQPNBSA-N 475.080 3.532 50 10 JHGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 252620643 MINGMRQWVBZVKC-CLIDQISESA-N 465.513 3.808 50 10 JHGE C[C@@H](Cl)c1nc(N)nc(Nc2ccc(I)c(Br)c2)n1 311592582 GVLKNHUMLSJIEB-RXMQYKEDSA-N 454.497 3.864 50 10 JHGE Cn1cnnc1CC(CBr)(CBr)c1ccc(Br)cc1 689528920 FTUBZRQJUBLILM-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE Cc1cccc(C(=O)NC[C@@]2(CBr)CCCOC2)c1I 700911137 KOQUEUCVZWCZFF-HNNXBMFYSA-N 452.130 3.521 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1scc(Br)c1Br 705409916 PLKZDSSFRCGKJD-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE CCOC(=O)C1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 825218301 GKIDVPIQLKZONA-XMHGGMMESA-N 465.941 3.826 50 10 JHGE Cc1cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084433508 BKVXPUGKFUFTJC-UHFFFAOYSA-N 487.585 3.835 50 10 JHGE Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)c1C 1084627589 SUOUJMONPCNSFU-UHFFFAOYSA-N 462.462 3.699 50 10 JHGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 1084633218 LMTFLWALNPQWKP-SFHVURJKSA-N 492.963 3.993 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)cc1 1563043067 MHEKILSTGSVPHZ-GFCCVEGCSA-N 459.915 3.681 50 10 JHGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)nc2C)CC1=O 1865758184 NJRMYZVRXHWGDT-HXUWFJFHSA-N 474.536 3.881 50 10 JHGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 1873793582 RBLZKTSAKUDTBM-WQGFDPGOSA-N 461.540 3.741 50 10 JHGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 1915083419 OVDJYMXYCCNVIG-HNNXBMFYSA-N 478.405 3.594 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2C[C@@]2(CBr)C1 2029658488 YXENVAGLQZJGGV-TVQRCGJNSA-N 484.957 3.911 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2csc(Br)c2Br)C1 2032954179 YFAMBPMJHYTKLV-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE CC1(C)CCN(C(=O)c2cc(I)ccc2O)C[C@@H]1CBr 2148648409 BLAIYEDCRCVYHY-JTQLQIEISA-N 452.130 3.880 50 10 JHGE O=S(=O)([C@@H](CBr)C1CC1)N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2179826567 UJQTYTFCXORRSC-SFHVURJKSA-N 465.404 3.723 50 10 JHGE C[C@]1(CBr)C=CCN1S(=O)(=O)c1cc(Br)ccc1Br 2228871741 RTXIHMXEABLVRA-GFCCVEGCSA-N 474.012 3.926 50 10 JHGE CN1CC[C@@](C)(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2253325790 CGOJEUQHSADMRJ-QZTJIDSGSA-N 452.377 3.550 50 10 JHGE O=C(NC[C@@H]1CC[C@H](CCl)CO1)c1cc(Br)ccc1I 2279395781 LBVULIGJMKJYCV-KOLCDFICSA-N 472.548 3.818 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2279522577 OKEQMBYPGCJIHB-QKLQHJQFSA-N 497.455 3.811 50 10 JHGE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2282684513 RNWKPSOUMJIRMN-UHFFFAOYSA-N 496.504 3.930 50 10 JHGE N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)c1 2343438583 ANHQKIWWYBNPEF-MRXNPFEDSA-N 457.777 3.860 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](P(C)(C)=O)C[C@@H](C(=O)NC[C@H]2C[C@@H](Br)C2)C1 2344197160 NGGZCVWYYNFDJQ-KBXIAJHMSA-N 451.342 3.524 50 10 JHGE ClC[C@]12COC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349831367 SRXZPZRPNMHRLK-FZMZJTMJSA-N 456.549 3.741 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2358082833 YAPUJLZCRUKEAU-AXFHLTTASA-N 488.039 3.863 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2364231523 ZVWJDPRWJMVXBB-YIZRAAEISA-N 470.003 3.581 50 10 JHGE Cn1ncc(I)c1-n1c(CCCl)nc2cc(Br)ccc21 2381856032 GXTSQRZMTXGSDJ-UHFFFAOYSA-N 465.520 3.907 50 10 JHGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)c1 10333865 FBQXXTRTQFTNER-UHFFFAOYSA-N 477.586 3.639 50 10 JHGE Cc1ccccc1CC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14562484 DLOWKJXTAPNICA-UHFFFAOYSA-N 470.161 3.597 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14658941 OMAFQOIZTIVCEI-UHFFFAOYSA-N 493.354 3.643 50 10 JHGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 251370164 QPCOXIXXMGCAAB-CBQOVEMMSA-N 451.567 3.554 50 10 JHGE CCn1c(SCC(=O)NN=C/C=C/c2ccccc2OC)nnc1-c1ccc(OC)cc1 254622118 FGIZJCDQDMNFBX-VAPHGRMASA-N 451.552 3.890 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)NCCCNC(=O)c2cccc(Br)c2)cc1 726260298 LIALJEQCQGCGBN-UHFFFAOYSA-N 475.387 3.511 50 10 JHGE C[C@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084651859 UAFOTSAISTURDT-HNNXBMFYSA-N 461.503 3.538 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CCNS(=O)(=O)c2ccc(CBr)cc2)CC1 1260510849 UGXOOPWDZJIXJZ-UHFFFAOYSA-N 461.422 3.897 50 10 JHGE C#CCn1ccc(CN(CCOC)C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)n1 1556461336 XITDECNBRYIBDX-ULJHMMPZSA-N 455.562 3.814 50 10 JHGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 1654333463 XSXSVCQSTSXQSC-CYBMUJFWSA-N 454.412 3.516 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1 1670961270 TZWWTXRZHVQTPA-DIFFPNOSSA-N 459.371 3.569 50 10 JHGE Cc1ccc(C(=O)CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(C)c1 1865851460 CCEGOOZBVQUUCW-RDJZCZTQSA-N 494.617 3.571 50 10 JHGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 1915750831 LSLYIKCCIUUJPC-UHFFFAOYSA-N 478.405 3.594 50 10 JHGE COC[C@@](C)(CBr)CNC(=O)c1cc(Cl)ccc1I 1927000552 RAWVHSPJMMRECM-ZDUSSCGKSA-N 460.537 3.722 50 10 JHGE Cc1nn(C)c(Br)c1C(=O)N(C)C[C@H](Br)COCc1ccccc1 2013204890 ONVWOXIBZDFHBA-AWEZNQCLSA-N 459.182 3.543 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Cl)CCO1)c1cc(Br)ccc1I 2097938979 RGLFLAWANLYGFE-UWVGGRQHSA-N 458.521 3.570 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCC[C@H](OCCBr)C1 2170213132 GSXBWGQWSBHCTA-NSHDSACASA-N 472.548 3.961 50 10 JHGE Brc1ccccc1[C@H](CI)OCCCN1CCOCC1 2175870121 MJAPWDUCQKYORC-HNNXBMFYSA-N 454.146 3.664 50 10 JHGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(C)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2179820468 YHCHXUMWZFNTFS-SJLPKXTDSA-N 456.406 3.617 50 10 JHGE Cc1cc(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)cc(CBr)c1F 2179859082 YHNPPAANAXZSDN-UHFFFAOYSA-N 453.377 3.536 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)cc(F)c1F 2179859744 IPVXRKNJXCLPHI-CQSZACIVSA-N 459.356 3.755 50 10 JHGE Clc1cc(CN2C[C@H]3CCO[C@@]3(CBr)C2)ccc1I 2231254858 NNYYKGXGMQUGTM-RISCZKNCSA-N 456.549 3.930 50 10 JHGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(CBr)cc3)[C@H]1CC2 2238196247 PLZDIEZQZMPRIB-USXIJHARSA-N 459.406 3.790 50 10 JHGE COC(=O)C(C#N)=Cc1cccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 2314760360 MYLGGKXVYNPQTA-UHFFFAOYSA-N 452.422 3.786 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NCC(C)(C)CCCBr 2338861264 QCRLLIKLBVPPMP-UHFFFAOYSA-N 460.008 3.876 50 10 JHGE Cn1cnc(Br)c1[C@H](Br)c1cc2c(cc1Br)NC(=O)C2 2362492065 JROUHJCESJHRCI-LLVKDONJSA-N 463.955 3.924 50 10 JHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 9826186 DTGHNACXOUEVCT-UHFFFAOYSA-N 477.995 3.919 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NNC(=O)OCc1ccccc1 14000989 PREIOQPRXOPSKO-UHFFFAOYSA-N 458.106 3.548 50 10 JHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1 14041933 VEEROTOVVDPICG-UHFFFAOYSA-N 470.378 3.887 50 10 JHGE COc1cc(C=NNC(=O)OC(C)(C)C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 16158291 XRMOULFSUFSLRF-UHFFFAOYSA-N 460.483 3.799 50 10 JHGE CC(C)c1ccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40594716 IMOVWXDBCJKXEW-UHFFFAOYSA-N 451.443 3.846 50 10 JHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-] 40659283 YFMOAYRNTZTBNT-UHFFFAOYSA-N 477.462 3.678 50 10 JHGE Cc1ccc2cc(C(=O)NNC(=O)c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)c(C)nc2c1 46670308 UWSIXOXDYJZAPX-UHFFFAOYSA-N 477.528 3.628 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 254346514 MUROJCOMGXGUDZ-UHFFFAOYSA-N 486.616 3.951 50 10 JHGE CC(=NNC(=O)c1c(O)c2ccccc2n(CCC(C)C)c1=O)c1c(O)nc2ccccc2c1O 254862416 SJFYDPUJCLLUMJ-UHFFFAOYSA-N 474.517 3.867 50 10 JHGE O=S(=O)(CCCCCl)Nc1ccc(I)c(Br)c1 304215774 YFZLBMTXXSCJES-UHFFFAOYSA-N 452.539 3.814 50 10 JHGE COc1cc(CN(C)C(=O)NNC(=O)c2ccc(Br)cc2Cl)cc(OC)c1 728956030 JXTCUBYWNVKUFL-UHFFFAOYSA-N 456.724 3.606 50 10 JHGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccoc2)ccc1Cl 747184678 LMWFKKFAGKMNAH-UHFFFAOYSA-N 477.901 3.528 50 10 JHGE CC(=O)c1ccc(NC(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 761414528 GUILEFAFBAXSDY-STZFKDTASA-N 467.485 3.755 50 10 JHGE CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl 1634954472 YXAMQNQNUKIIJA-INIZCTEOSA-N 455.729 3.773 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@@H](C)N1CCCC1)C(=O)OC(C)(C)C 2013717065 ZVYSHROCATWEEZ-CRAIPNDOSA-N 454.393 3.938 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)c1cc(Br)ccc1Br 2112714349 WNACXBXWZCZACF-ZDUSSCGKSA-N 455.972 3.838 50 10 JHGE CCOC(=O)[C@H](Br)Cc1ccc(Br)cc1I 2212574838 RJDXRFJAIZEZFZ-SECBINFHSA-N 461.919 3.923 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2COC[C@@]2(CBr)C1 2234584586 YUEMFFDHBBKLCY-LKFCYVNXSA-N 467.983 3.695 50 10 JHGE CCn1cc(C(=O)N[C@H](CCBr)COCc2ccccc2)nc1Br 2303538958 MFEDKTJCFBLRDK-CQSZACIVSA-N 459.182 3.766 50 10 JHGE N#CC(=Cc1cccc(Br)c1)C(=O)N(CCCS(=O)(=O)O)C1CCCCC1 2324521811 AZFMKTAHYREUAB-UHFFFAOYSA-N 455.374 3.795 50 10 JHGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1c(Br)c(Br)nn1C 2364006348 FAZXQSKRTGJTBR-UYXSQOIJSA-N 470.003 3.722 50 10 JHGE CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)sc2c1CC[C@@H](C)C2 4261050 HTSXWHGXQOLKRU-WOLHVBPDSA-N 479.558 3.997 50 10 JHGE CCc1ccc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3ccc(CC)cc3)cc2)cc1 12492297 XOVOOKDELJNEJI-YAGSLNJISA-N 486.572 3.870 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1 38650178 WBPQSUFGEUHQDB-VWLOTQADSA-N 458.470 3.906 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1cccs1 254863556 VAETUGFAYFDRBV-UHFFFAOYSA-N 469.475 3.722 50 10 JHGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC(=O)OC 1084171349 DJUMMPYUOVPDGZ-HAVVHWLPSA-N 489.572 3.621 50 10 JHGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc([N+](=O)[O-])c1O 1772756511 HOVBHHQHYCUBQQ-UHFFFAOYSA-N 486.706 3.871 50 10 JHGE CC(C)(CI)CN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1893393252 UNVKUWYAHQKOHU-UHFFFAOYSA-N 488.410 3.932 50 10 JHGE CCOc1c(I)ccc(C(=O)CCl)c1I 2060131198 AUNOKDRLMBDRCG-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@]2(CBr)C1 2086139346 NLLAQKJINZXBNU-AMIZOPFISA-N 484.957 3.911 50 10 JHGE Cn1nnc(Br)c1CC(CBr)(CBr)c1ccc(F)cc1 2145947508 NHVMVQASYHPEFV-UHFFFAOYSA-N 469.978 3.987 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(CC2(CBr)CCOCC2)C[C@H]1C(F)(F)F 2163058333 JSQDMIOPNFJFKF-ZIAGYGMSSA-N 459.347 3.813 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@H]2[C@@H](C1)C2(F)F 2179784871 FJJXZMXFKIBXIF-JGVFFNPUSA-N 451.152 3.681 50 10 JHGE O=C(c1cccc(F)c1I)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190673292 GOWYITPFFRQQAS-MGCVSALHSA-N 456.068 3.909 50 10 JHGE Cc1ccc(C(=O)N2C[C@H](Br)[C@H](Br)C2)cc1I 2212991836 DEAVKKFNSQZZAT-AOOOYVTPSA-N 472.946 3.582 50 10 JHGE O=S(=O)(Cc1ccsc1Br)N1CC[C@H](CBr)C(F)(F)C1 2234497927 UBVYJPVWDRDRPO-SECBINFHSA-N 453.168 3.693 50 10 JHGE CN(Cc1ccc(I)cc1)S(=O)(=O)[C@@H]1CC[C@@H](CBr)C1 2280263628 ZBDHQAKMHYCXSX-TZMCWYRMSA-N 472.186 3.616 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@H]1[C@H]2CBr 2311867898 YLZKRGDWTQLTNR-INNHCVQGSA-N 484.957 3.909 50 10 JHGE CC(C)Oc1cccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325886479 GXEIMKWXSDIGKP-IAGOWNOFSA-N 494.617 3.792 50 10 JHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1C 10154168 XWIFROLVUIBPJP-SFHVURJKSA-N 457.596 3.831 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14656367 KKCWTERNWCAAKI-UHFFFAOYSA-N 479.371 3.612 50 10 JHGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(Cl)cc2I)cc1 32486772 YDQQTBZWZQXAKR-LLVKDONJSA-N 488.709 3.572 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(Br)c1OC(C)=O 33930370 ZPICOYCIWOICNY-XGICHPGQSA-N 478.230 3.976 50 10 JHGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3)c2[N+](=O)[O-])cc1 40649897 JCNDUEGHJIDWMG-UHFFFAOYSA-N 450.455 3.698 50 10 JHGE Nc1c(NNC(=O)Cc2ccccc2)ncnc1Oc1ccc(Br)c2cccnc12 40795080 NRHLCOQPODQFIL-UHFFFAOYSA-N 465.311 3.848 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C(C#N)=C/c1ccc(Cl)cc1 41013067 BOTAVGOSWYYLAD-JUARGUKUSA-N 477.904 3.627 50 10 JHGE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\NC(=O)CSc1nc2ccccc2n1C 169876435 IEVFDEJPURSWOG-UUYOSTAYSA-N 457.512 3.521 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H](CBr)O1 235683798 MJEQNBXHJYFASR-WCBMZHEXSA-N 455.972 3.836 50 10 JHGE O=C(c1ccc(F)cc1I)N1CCC(F)(F)[C@H](CBr)C1 403971085 NALCCLMJEHPXLK-MRVPVSSYSA-N 462.047 3.923 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCOC[C@H]1CCCl 721623312 UVGLNSGAJYTXAO-SNVBAGLBSA-N 458.521 3.524 50 10 JHGE CCn1nc(C(=O)NNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)c2ccccc2c1=O 730516183 DNQYSOLFTQICEP-QFIPXVFZSA-N 494.910 3.790 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 1084092172 WNXDRCVFZRIOGD-UHFFFAOYSA-N 474.546 3.589 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)[C@@H](C)Sc3ccccn3)cc2)cc1 1084118428 DWGGJNZUXIYEDB-QGZVFWFLSA-N 455.561 3.789 50 10 JHGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1cccc(Br)c1Br 1878695266 GCPHOSNOAZKVNT-GZMMTYOYSA-N 455.972 3.741 50 10 JHGE COc1ncc(F)cc1-n1nc(CBr)c(I)c1C(F)(F)F 2078926082 DSNLFNVVDDKMFO-UHFFFAOYSA-N 479.997 3.933 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CC[C@@](CBr)(C(F)(F)F)C1 2111394667 PHECCNXVUJYEIZ-JYJNAYRXSA-N 456.324 3.713 50 10 JHGE CN1CCN(C(=O)c2csc(Br)c2Br)[C@H](CCBr)C1 2138070113 VEGZWRATMNUFJF-MRVPVSSYSA-N 475.044 3.814 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H](CCl)O1 2142285697 SVXDLONIBMGRQW-PSASIEDQSA-N 458.521 3.522 50 10 JHGE CN(CCN(CC(F)(F)F)S(=O)(=O)CCC(CCl)CCl)C(=O)OC(C)(C)C 2163058951 PDMBXOFXWQYESJ-UHFFFAOYSA-N 459.358 3.531 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185295178 ZEZHWQBXLRYKKY-ZWKOPEQDSA-N 467.983 3.979 50 10 JHGE CCN(CCBr)CCC[C@H](C)NC(=O)c1sccc1I 2204137762 NVIGAOOIBNBQJS-NSHDSACASA-N 473.218 3.968 50 10 JHGE COc1ccc([C@H](Br)C2CC(S(C)(=O)=O)C2)cc1I 2269879658 LXHJRNKDTZGXKP-ZPPKWKGLSA-N 459.143 3.559 50 10 JHGE C[C@H](NC(=O)C(C#N)=C1N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccccc1 2296842967 PGEXNCTZQKDCTN-INIZCTEOSA-N 465.469 3.897 50 10 JHGE CC(C)N(CCCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823538 BSZSOQHUPVKUCJ-UHFFFAOYSA-N 473.433 3.668 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2323278419 RQNFDZGANKDXDT-SPLOXXLWSA-N 493.692 3.629 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(Br)c(O)c(OC)c1 2328821166 WKCNFPVPNDHCRV-NHYWBVRUSA-N 458.353 3.553 50 10 JHGE C[C@H](Br)C1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2338852029 KFFMMXQPIUOFBU-INIZCTEOSA-N 485.444 3.668 50 10 JHGE CN1CCC[C@H]([C@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2340027997 VHTDAOXVHZFRSN-VXGBXAGGSA-N 478.577 3.805 50 10 JHGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccc2ccccc2c1Br 10401546 YZDCIZNOURJSMD-DHZHZOJOSA-N 470.279 3.750 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12570304 JNEHLEKLRNVIAW-UHFFFAOYSA-N 484.405 3.816 50 10 JHGE COc1ccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1I 12573866 GQRZLNRTRQUYHH-QGMBQPNBSA-N 459.627 3.625 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccccc2I)cc1 13983139 MAKRQVNCYMPIPV-ZDUSSCGKSA-N 452.292 3.645 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 14021512 FMMUNGMYFULLDP-ZDUSSCGKSA-N 469.321 3.554 50 10 JHGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658099 LVOGZNLXQNKCOQ-UHFFFAOYSA-N 498.765 3.861 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610841 GPYDSOZFKFDCPX-ZXVVBBHZSA-N 478.936 3.716 50 10 JHGE CCCCCCCC(=O)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 103737176 VLMRBIOKAGUCRB-WEMUOSSPSA-N 460.534 3.510 50 10 JHGE O=C(CCC(=O)Nc1cccc(Cl)c1)NN=Cc1ccccc1I 252638088 XZELXPIAMMLSOP-UHFFFAOYSA-N 455.683 3.814 50 10 JHGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 263622148 KYATVCPIZKQCNL-ZSUJPZTCSA-N 475.480 3.721 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCSC[C@H]1CCl 387934882 RYRFQPQGHXDLLY-SECBINFHSA-N 460.562 3.850 50 10 JHGE O=S(=O)(N[C@@H](CBr)CC(F)F)c1cc(Br)ccc1Br 717747462 AUNGDHYQPDXNLR-SSDOTTSWSA-N 485.970 3.909 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)nnn1-c1cccc2ncccc12 731327456 XLTNDMKZODOGAB-UHFFFAOYSA-N 496.502 3.917 50 10 JHGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 1084420412 YPZNOVAZEQKBDV-UHFFFAOYSA-N 458.518 3.718 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3NC(=O)OC(C)(C)C)c1 1154050044 ALUSKLNZDOHPLE-ZVBHREPYSA-N 456.612 3.705 50 10 JHGE C=C(C)c1cccc(NC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 1673600248 AFKWOZNWPQCJNZ-UHFFFAOYSA-N 453.502 3.944 50 10 JHGE Cc1ccccc1CCC(=O)NNC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 1865852006 MRWTUOMWDVIBML-UHFFFAOYSA-N 460.559 3.522 50 10 JHGE CC(C)(CBr)CCCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029211938 CQYYFXOKYDIEFI-UHFFFAOYSA-N 473.433 3.574 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2149542614 YAPUJLZCRUKEAU-VWYCJHECSA-N 488.039 3.863 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H]2COC[C@@]2(CBr)C1 2226187308 WKCODXVJDMUNPP-JVXZTZIISA-N 474.012 3.757 50 10 JHGE O=C(NCC1(CBr)CC(F)(F)C1)c1cccc(F)c1I 2281661387 WJJPXTNMIPDSDN-UHFFFAOYSA-N 462.047 3.971 50 10 JHGE CCOc1cccc(C=NNC(=O)COc2c(C)cc(I)cc2C)c1O 2297708293 TVEWOAMVEWCKQD-UHFFFAOYSA-N 468.291 3.541 50 10 JHGE COc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314620322 MZBLIGXQEZQIPH-UHFFFAOYSA-N 492.503 3.959 50 10 JHGE CC(=O)N(C=C(C#N)C(=O)Nc1ccc(I)cc1C)c1cccc(N)c1 2318462723 OIHKBKSIDRRSFI-UHFFFAOYSA-N 460.275 3.581 50 10 JHGE CCC(CC)[C@@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338849602 JVKVZFUEHBBPFV-IBGZPJMESA-N 487.460 3.962 50 10 JHGE CC1(C)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CCl 2364211411 NAVYGCFOOVDRSN-QGZVFWFLSA-N 455.020 3.760 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCC(Br)CC2)[C@H]1C(F)(F)F 2370161804 OEBSVOBNCQFIPU-OLZOCXBDSA-N 458.319 3.886 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10331792 MJYPECQPPNZFLD-UHFFFAOYSA-N 476.529 3.715 50 10 JHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccco1 12491584 AZLTZINLSZLTTM-UHFFFAOYSA-N 468.101 3.798 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 12501455 FOTOVDRYRSMWPS-UHFFFAOYSA-N 467.378 3.665 50 10 JHGE O=C(Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 13982264 KXIAEGLPWIRYJO-UHFFFAOYSA-N 482.565 3.970 50 10 JHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1cccc2ccccc12 14662618 DKBAXTADBRMQEU-UHFFFAOYSA-N 457.324 3.631 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NCc2ccccc2)c1[N+](=O)[O-] 40599501 FJMSDMRIWJTSRH-UHFFFAOYSA-N 463.281 3.826 50 10 JHGE FC(F)(F)Oc1c(I)ncc(CCl)c1I 396178810 JYFMHHKRZCFOQG-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE CN(C)C[C@@H](Br)CN(C)C(=O)c1cc(Br)cc(Br)c1 690330973 GLWSNKMZANYPLJ-GFCCVEGCSA-N 457.004 3.609 50 10 JHGE CC(=NNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1084107331 BTKNVBDXGATDGT-UHFFFAOYSA-N 486.937 3.984 50 10 JHGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 1084279294 YCGAKACDLXKDLH-UHFFFAOYSA-N 451.454 3.511 50 10 JHGE O=S(=O)(NC[C@H](Br)CBr)c1ccc(Cl)c(C(F)(F)F)c1 1188754179 FDELELIUHOKPBV-ZCFIWIBFSA-N 459.509 3.796 50 10 JHGE C=CCNS(=O)(=O)c1cc(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)ccc1F 1628644181 NNWYQNDXJYBAOC-UHFFFAOYSA-N 451.829 3.719 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(Br)cc1 1682356654 KXXIECPJCNRXKX-SJCJKPOMSA-N 450.720 3.575 50 10 JHGE O=C(CCN1C(=O)c2ccccc2C1=O)NNc1ccc(OCCOc2ccc(Cl)cc2)cc1 1858080435 CVWZYCSYNACMNV-UHFFFAOYSA-N 479.920 3.927 50 10 JHGE CSCC[C@@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1ccc(SC#N)cc1 1867166364 VUNGSSRGOKRHGN-QGZVFWFLSA-N 453.549 3.800 50 10 JHGE C[C@@H]([C@H](Br)c1cc(Br)c(Br)s1)S(=O)(=O)N(C)C 1941945194 FBOAPIDLXGGTEO-XNCJUZBTSA-N 470.046 3.989 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H](Cl)C(F)(F)C1 2034603888 ILSHPUXPDFUNHD-SECBINFHSA-N 450.448 3.752 50 10 JHGE CN1CCC[C@@H]([C@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2089531119 KPIVJKGPAYIZFZ-NWDGAFQWSA-N 478.577 3.805 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCBr)Cc1ccsc1 2114663634 XRGCQBOALNQEOZ-UHFFFAOYSA-N 499.452 3.741 50 10 JHGE O=C(NC[C@]1(CBr)CC12CCC2)c1cc(I)ccc1O 2154205332 QAEBJAFIXQHIDZ-OAHLLOKOSA-N 450.114 3.682 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC([C@H](F)CBr)C2)cc1Br 2166901586 VGEZBNFLFVESFJ-LLVKDONJSA-N 494.018 3.874 50 10 JHGE CC[C@@H]1CN(S(=O)(=O)c2cc(CBr)n(CC)c2)CCN1Cc1ccccc1 2179785051 HFQPEMDDZAAAKY-GOSISDBHSA-N 454.434 3.688 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCO[C@H](CBr)C2(C)C)c1 2240924866 WBMRQXHCKNWRJI-CYBMUJFWSA-N 452.130 3.614 50 10 JHGE O=C(N[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1)OCc1ccccc1 2264024278 RHKOJRBBQLZHHO-SFHVURJKSA-N 467.385 3.661 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)NCC1(CBr)CC(F)(F)C1 2281660111 LZLBADMEFIRVPU-UHFFFAOYSA-N 453.168 3.908 50 10 JHGE CC(C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)=Cc1ccccc1 2297470020 DPOOYLDNNGCXSN-UHFFFAOYSA-N 494.968 3.997 50 10 JHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 2313625007 QPZGKPLAUIEUPH-UHFFFAOYSA-N 490.423 3.995 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CCBr)C(C)(C)C 2338690909 MJTGUKUOMHZQLY-SSDOTTSWSA-N 460.008 3.875 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)CCC12CCC2 2364228080 IDHWHFOSNWYKNP-MRVPVSSYSA-N 470.003 3.867 50 10 JHGE CCC[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@H]1CBr 2364228271 KRIMQUSZRVZSRB-RKDXNWHRSA-N 472.019 3.828 50 10 JHGE O=C(N/N=C/c1c(Nc2cccc(C(F)(F)F)c2)nc2ccccn2c1=O)c1ccncc1 2950232 SRERETHADSYPBV-UVHMKAGCSA-N 452.396 3.616 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1 12582933 IAIYNZUDCLMFQI-JTQLQIEISA-N 462.127 3.750 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1Br 13980499 AEMMDAASNSCFFJ-CYBMUJFWSA-N 464.385 3.677 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041121 KVNHMXSYNOCKGH-UHFFFAOYSA-N 491.569 3.659 50 10 JHGE CC/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(C)cc1 35079025 AOVVDQCDAKXBSU-BWAHOGKJSA-N 476.566 3.686 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1C 109327321 BJAFWGXCFRKPJY-MIDMBNTASA-N 454.615 3.907 50 10 JHGE CC(C)(CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 135201729 CQEAVUAWDBRMOI-UHFFFAOYSA-N 464.017 3.911 50 10 JHGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc3c(C)cc(=O)oc3c2)c(OC)c1 206233826 MRWYSXNFHMNHDS-YVLHZVERSA-N 463.442 3.565 50 10 JHGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1OC 254631206 QTBUJNLQMNRKTI-UHFFFAOYSA-N 475.423 3.863 50 10 JHGE CCn1nnnc1CC(CBr)(CBr)c1ccc(Br)cc1 697896632 CNSABRAGEDAWLT-UHFFFAOYSA-N 467.003 3.726 50 10 JHGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727365582 VIZIUQCMQXRHQP-FQEVSTJZSA-N 488.588 3.719 50 10 JHGE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCSSCC1 757436800 JSIQWFOAEKLDQZ-OAQYLSRUSA-N 486.615 3.982 50 10 JHGE C#CC[C@@]1(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)CCCN1C(=O)OC(C)(C)C 1306190992 GMOMECPVKQFSAU-DEOSSOPVSA-N 459.612 3.961 50 10 JHGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2ccc(Br)s2)cc1)[C@H]1C[C@H]1C 1671651972 CSEOVGRPASNROE-YGRLFVJLSA-N 451.346 3.738 50 10 JHGE Brc1cc(Br)cc(CO[C@@H]2COC[C@@H]2I)c1 1900366256 CESGMQAHFKICHH-WDEREUQCSA-N 461.919 3.931 50 10 JHGE Cc1cccc(C(=O)N2CCC(I)CC2)c1I 2021449616 WMUHUOXUGFETNM-UHFFFAOYSA-N 455.077 3.639 50 10 JHGE CN([C@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1 2044694777 YBMDXOOXVBYBOQ-MOPGFXCFSA-N 467.385 3.659 50 10 JHGE O=C(Cc1ccccc1I)N1CC[C@H](Br)C(F)(F)CC1 2150042635 NSTFHKHOVXHNLT-LBPRGKRZSA-N 458.084 3.855 50 10 JHGE O=C(c1cccc(I)c1)N1CCC(COCCBr)CC1 2167401475 HWEGSYULIHLZNL-UHFFFAOYSA-N 452.130 3.555 50 10 JHGE O=C(N[C@@H](CBr)[C@H]1CC=CCC1)c1ccc(I)c(O)c1 2196158137 WDCRDDHGTUWSTL-GWCFXTLKSA-N 450.114 3.846 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCC#CCCBr)cc1Br 2225753655 BVHMLBOOXAGASN-UHFFFAOYSA-N 474.012 3.587 50 10 JHGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@H]1CCN(Cc2ccccc2)C1 2242039760 JUEUYIHGGFRPLY-FXAWDEMLSA-N 474.383 3.996 50 10 JHGE CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2C[C@H](Br)C2)CCN(Cc2ccccc2)CC1 2245939256 SMSTYNSZAIQFFQ-WGSAOQKQSA-N 480.447 3.978 50 10 JHGE COc1ccc(C(=O)N=C2NC(=C(C#N)C(=O)Nc3ccccc3)c3ccccc32)cc1OC 2296262906 NQWOSGJDZUCUQC-UHFFFAOYSA-N 452.470 3.767 50 10 JHGE Cc1c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c(Br)nn1C 2303549407 VCXCLAKNLDRJFH-AWEZNQCLSA-N 459.182 3.591 50 10 JHGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 2324412869 ZRIJKEWOAJKOKW-UHFFFAOYSA-N 458.440 3.598 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2355845382 NYIHRKUDNQIRGX-QHAWAJNXSA-N 455.462 3.868 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CCl 2358968725 GMCBXUATIMMGCU-QKLQHJQFSA-N 453.004 3.655 50 10 JHGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2367001674 FECFMCKUGSHPCX-OOKSDGMUSA-N 497.455 3.809 50 10 JHGE Cc1ccc(C)c(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1 14008701 FHDBXSQUZGLCCF-CYBMUJFWSA-N 455.736 3.713 50 10 JHGE C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14037930 GYECHDJHBVJYKJ-ZDUSSCGKSA-N 488.294 3.504 50 10 JHGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4F)c(C)c32)cc1 101592540 SFSRFQLKRNOMLY-ZXVVBBHZSA-N 462.481 3.581 50 10 JHGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1O 254522858 GCPHDEYJQNHQDO-UHFFFAOYSA-N 474.542 3.651 50 10 JHGE CO[C@]1(CCl)CCCN(C(=O)c2cc(Br)ccc2I)C1 401539153 LYCFEFYNWCMKKI-AWEZNQCLSA-N 472.548 3.914 50 10 JHGE C[C@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@@H](CBr)O1 686112104 XGNJTHRJTSUJCD-IONNQARKSA-N 465.051 3.694 50 10 JHGE CCOC(=O)[C@@H](Cl)Cc1cc(I)cc(I)c1 690363862 OTRYAUYOSSMNTO-JTQLQIEISA-N 464.468 3.609 50 10 JHGE CN(CCBr)CCN(C)C(=O)c1ccc(Br)cc1Br 691338642 RSVFJVLQIBSGGS-UHFFFAOYSA-N 457.004 3.610 50 10 JHGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3cc(C)ccc3C)c2C)cc1OC 725414970 XKDRBNJLZOWZMM-UHFFFAOYSA-N 490.604 3.927 50 10 JHGE C[C@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1cc(F)ccc1N1CCN(C)CC1 726280653 XXZZSIKFUVKPHA-KRWDZBQOSA-N 455.578 3.580 50 10 JHGE Cc1cc(C)c(OCC(=O)NN=C2C(=O)N(CCOc3ccccc3)c3ccccc32)c(C)c1 1083911177 BOYAOOAABSYISO-UHFFFAOYSA-N 457.530 3.937 50 10 JHGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)cc1 1083912881 SNQQJNMMILHKMO-UHFFFAOYSA-N 486.569 3.548 50 10 JHGE Cc1cc(C)c(OCC(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)c(C)c1 1083966435 QHSBDHCEUVOGQM-UHFFFAOYSA-N 480.481 3.760 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(OC(F)(F)F)cc2Br)c1 1303280401 HOAYAFLSFSCWKF-UHFFFAOYSA-N 458.259 3.960 50 10 JHGE O=C(NCC1(CBr)CC1)c1ccc(Br)cc1I 2026216905 IEYIYDWHLJVEJH-UHFFFAOYSA-N 472.946 3.959 50 10 JHGE O=C(c1csc(I)c1)N1CC[C@@H](Br)C(F)(F)CC1 2032652589 DPPRMQSGHXDOKL-MRVPVSSYSA-N 450.086 3.988 50 10 JHGE O=C(c1csc(Br)c1Br)N1CCO[C@H](CCBr)C1 2052694411 RXTIAOAQGURJPT-SSDOTTSWSA-N 462.001 3.899 50 10 JHGE Brc1cccc(Br)c1CN1CCN2C[C@@H](Br)C[C@H]2C1 2094088919 QMBDVTOATDBVQY-QWRGUYRKSA-N 453.016 3.865 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1cc(Cl)ccc1I 2097945869 NICOFKWLJKUQDR-WCBMZHEXSA-N 458.521 3.617 50 10 JHGE CN([C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2163058318 JMQXKPDEXBFZJU-WBVHZDCISA-N 461.422 3.895 50 10 JHGE CC1(C)CO[C@H](CCl)CN1C(=O)c1cc(Br)ccc1I 2167526783 KZYAJRNHLJRCMN-SNVBAGLBSA-N 472.548 3.912 50 10 JHGE O=C(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1ccccc1I 2192579077 JDKPBLAGJTVMPK-CMPLNLGQSA-N 462.047 3.985 50 10 JHGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(I)c(O)c1 2204561332 FOFZCBWUHRILKM-MGAJZRQESA-N 450.114 3.679 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)Cc1ccc(Br)cc1 2226102991 WTPFOGOHCDBHMG-MFKMUULPSA-N 460.175 3.718 50 10 JHGE Cc1ccc(C(=O)N[C@@H](CBr)C[C@H]2CCOC2)cc1I 2232839070 OZOGDJPSHBBNOA-DGCLKSJQSA-N 452.130 3.520 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C[C@@H]2CCCC[C@H]21 2279524642 OOCWTLZVWVACMU-FRQCXROJSA-N 453.004 3.511 50 10 JHGE CC1(C)CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H](CBr)O1 2283666554 QYDNZWNXGLOHNU-JTQLQIEISA-N 472.548 3.959 50 10 JHGE CCOc1ccc(CCNC=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OCC 2325224571 LPRKXMCOPFRGPQ-UHFFFAOYSA-N 454.483 3.579 50 10 JHGE CC(C)(CI)CN1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 2326677136 SCZMDJNSEUAWTA-CQSZACIVSA-N 460.322 3.961 50 10 JHGE COc1ccccc1NS(=O)(=O)c1ccc(NNC(=O)/C=C/c2cccs2)c([N+](=O)[O-])c1 9613462 FGLONGHIMHSEDZ-DHZHZOJOSA-N 474.520 3.622 50 10 JHGE Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)cc1C 10736873 UVIOXMGSQDMNBP-UHFFFAOYSA-N 476.558 3.671 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccccc1Cl 12570152 HUAZXPSXWFHROQ-JTQLQIEISA-N 476.769 3.515 50 10 JHGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccccc1Br 13977936 RZKZWJQRCSULPA-UHFFFAOYSA-N 462.525 3.705 50 10 JHGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 14034457 PZWWKEVYSWQWTD-UHFFFAOYSA-N 465.575 3.979 50 10 JHGE C#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 58891562 NUIGFNRKKNAKMA-YPFLROGLSA-N 459.340 3.824 50 10 JHGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 58894119 OFMVTDUSBFVSKR-QVISHHADSA-N 492.956 3.653 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)COc2ccc(C)c(Cl)c2)c1C 59152517 XRJCTWQTTHCPDQ-BHGWPJFGSA-N 471.901 3.897 50 10 JHGE C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59878205 KYWPUAGQKWWCGX-HNNXBMFYSA-N 485.997 3.928 50 10 JHGE CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCBr 104051506 ZNUSTBAHLUQKMN-SQQRRHNYSA-N 451.346 3.888 50 10 JHGE CC(C)[C@@H](CI)NC(=O)c1ccc(F)cc1I 232700164 HJTIAIRBVODOCG-LLVKDONJSA-N 461.056 3.620 50 10 JHGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 252620644 MINGMRQWVBZVKC-UQKCPXHGSA-N 465.513 3.808 50 10 JHGE Cc1ccc(OCC(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c([N+](=O)[O-])c1 254624365 QJZOBRVGYJIEIX-UHFFFAOYSA-N 478.417 3.560 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(OC(C)=O)cc2)cc1)S(=O)(=O)c1ccccc1 1084008872 JUNSVEDJMQYGNL-UHFFFAOYSA-N 477.542 3.757 50 10 JHGE C=CCn1c(SCC(=O)NN=C(c2ccccc2)c2ccccc2)nnc1-c1cnccn1 1656347889 VAVNQHWZHGTJRN-UHFFFAOYSA-N 455.547 3.582 50 10 JHGE N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1866129910 RYWMFLIHJUYKDK-XNTDXEJSSA-N 466.346 3.560 50 10 JHGE CCn1ncc(Br)c1C(=O)N(C)C[C@@H](Br)COCc1ccccc1 1916385839 IMDAOPUYJIQACF-CQSZACIVSA-N 459.182 3.718 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC(I)CC1 2021449199 QKHILHSLTZKKQS-UHFFFAOYSA-N 470.579 3.752 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163055640 JUIXHAZVHUEURS-CABCVRRESA-N 461.422 3.848 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2184574035 JSQBKFMANDGNGM-WLLOZRIZSA-N 450.114 3.775 50 10 JHGE COc1cc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc(OC)c1OC 2325903904 FNGWNBRXRFGYDY-UHFFFAOYSA-N 492.557 3.610 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCC[C@@H](OCCBr)C1 2365581731 IRWHATXIAUJARK-LLVKDONJSA-N 472.548 3.961 50 10 JHGE COCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 2395332 HSUXNJLQMHJDSC-UVTDQMKNSA-N 473.316 3.772 50 10 JHGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 14647343 ZUXWZLGTQDZKQI-UHFFFAOYSA-N 460.328 3.661 50 10 JHGE CCCCCN1C(=O)/C(=N/NC(=O)CCNC(=O)c2ccccc2Br)c2cc(C)ccc21 33959325 QNSVWESVRKHLIL-XAYXJRQQSA-N 499.409 3.935 50 10 JHGE COc1ccc2c(c1)/C(=N\NC(=O)COc1ccccc1Br)C(=O)N2CCC(C)C 33959398 DHQPVALLERFKAN-NJNXFGOHSA-N 474.355 3.750 50 10 JHGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822552 FDQRAPDJOIVINT-BYNJWEBRSA-N 485.588 3.618 50 10 JHGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccc(F)cc4)cc3)nc2s1 96484403 QYISEFMGAAEMMI-WJDWOHSUSA-N 475.505 3.977 50 10 JHGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OCC 103756904 GOSUCMBZHNDQHU-QZYWLCDYSA-N 494.544 3.781 50 10 JHGE Cc1cc(C(=O)NNC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)c(C)o1 107923485 ADGQPYXOMANAEA-UHFFFAOYSA-N 460.284 3.603 50 10 JHGE C=CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 1125953174 AXTLDMBWYCTCIM-OOIVEFLKSA-N 457.983 3.856 50 10 JHGE CC(=O)N1CCN(c2cccc(NC(=O)[C@]3(c4ccccc4)C[C@H]3Br)c2C)C1=O 1157683160 NVIZUJDJSGVNEM-KNQAVFIVSA-N 456.340 3.827 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(Br)cc2Br)c1 1651317234 DBDLTKDHJKKDDW-UHFFFAOYSA-N 453.159 3.824 50 10 JHGE Cc1cc(C(=O)N2CCC(I)CC2)ccc1I 2026132654 KIQXXJZLUSCFNC-UHFFFAOYSA-N 455.077 3.639 50 10 JHGE O=S(=O)(c1ccc(Br)cc1Cl)N1CCC(CI)CC1 2098616205 JCZYDHXYECFIHG-UHFFFAOYSA-N 478.577 3.938 50 10 JHGE C[C@](CBr)(NC(=O)c1ccc(F)cc1I)C(F)(F)F 2105103802 JZGAXZLKBSPHJY-SNVBAGLBSA-N 453.999 3.876 50 10 JHGE Clc1cc(CN2CCN3C[C@@H](Br)C[C@H]3C2)ccc1I 2142949874 NASWXOUWADBOFZ-RYUDHWBXSA-N 455.565 3.598 50 10 JHGE COc1cc(CBr)ccc1S(=O)(=O)N(Cc1ccccc1)C[C@H]1CCCO1 2179860531 SYJURISTIYROFO-GOSISDBHSA-N 454.386 3.960 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NCc1nnc(CBr)s1 2295314345 WPKIYTCNDZQXHR-UHFFFAOYSA-N 484.011 3.817 50 10 JHGE COc1ncc(Cl)cc1CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2301822671 KNLQYHMLPJBAQD-OLZOCXBDSA-N 468.719 3.683 50 10 JHGE CN(Cc1ccc(I)c(Br)c1)[C@H]1COC[C@@H]1Br 2306220926 BEDYTBZNELXLTN-JQWIXIFHSA-N 474.962 3.648 50 10 JHGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2313616925 YXQMKHVSKUKDOU-UHFFFAOYSA-N 454.895 3.750 50 10 JHGE CCOC(=O)c1ccc(CNC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2325412192 TZVHMAFRBULIQJ-UHFFFAOYSA-N 489.313 3.912 50 10 JHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c(C)cc(O)c(C)c2O)cc1OC 2935023 CYCLSAOZOJMGBY-KLOPFVIYSA-N 489.528 3.653 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccccc1Cl 14644395 DZVUQAQLZMKTSP-SNVBAGLBSA-N 462.127 3.750 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)c(Br)c1 14832261 AVWGEPCHZCGFQQ-INIZCTEOSA-N 490.398 3.585 50 10 JHGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccn2)CCC3)cc1 40814305 DQNSLUJGBIUQMB-MTDXEUNCSA-N 460.490 3.882 50 10 JHGE Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c(Br)c1 40852833 YAIPWJNEKCDADG-FBCYGCLPSA-N 487.104 3.663 50 10 JHGE NNC(=O)CCCCCOc1c(Br)cc(Br)cc1Br 71291632 YTONRSXDJKGQMO-UHFFFAOYSA-N 458.976 3.903 50 10 JHGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1 96445693 CFFHSQKQDNJOEN-ODLFYWEKSA-N 473.485 3.920 50 10 JHGE O=[N+]([O-])c1nonc1-c1nonc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 105407077 JYYIWPZYJDVHCB-UHFFFAOYSA-N 458.374 3.837 50 10 JHGE CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 107829434 CYDIRRCJWGFCRA-YBEGLDIGSA-N 465.531 3.995 50 10 JHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)ccc1O 725424489 DUNYIWWRENSVRB-UHFFFAOYSA-N 494.960 3.996 50 10 JHGE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NN(c2ccccc2)c2ccccc2)C1 755712336 NADUHUOOZZXBJX-IBGZPJMESA-N 454.552 3.562 50 10 JHGE CC(=O)N(C)c1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 1147742121 YAZHDZKFKOARRK-PXLXIMEGSA-N 452.518 3.670 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(Cl)cc3)c(=O)c2c1-c1ccccc1 1860770078 RVZOMXJHUBYIKP-UHFFFAOYSA-N 452.923 3.548 50 10 JHGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 1860772823 IJYZWNOVGXDYAB-VROXFSQNSA-N 467.894 3.837 50 10 JHGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)c(C)n2)cc1C 1865756139 ILOTZAKGZAYKBP-UHFFFAOYSA-N 470.529 3.753 50 10 JHGE Cc1sc(C)c(S(=O)(=O)NCCCCI)c1Br 1940496035 BAFSPIAKCSZMQO-UHFFFAOYSA-N 452.177 3.621 50 10 JHGE Cc1nc(-n2c(C)nc(I)c2I)sc1CCl 1978646970 FIEXRZCKJJPTNZ-UHFFFAOYSA-N 479.512 3.894 50 10 JHGE O=[N+]([O-])c1cc(-n2cnc(I)c2I)ccc1CCl 2068316802 PDOMADLNDPKPKH-UHFFFAOYSA-N 489.438 3.729 50 10 JHGE Cc1cnc(O)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078931645 UVOJRCFMEVYWPD-UHFFFAOYSA-N 462.007 3.800 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cccc(CBr)c1C 2179778183 AXHVMBCESBMSTB-UHFFFAOYSA-N 456.402 3.744 50 10 JHGE O=S(=O)(c1occc1CBr)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2179824998 BNBNKKQLDQJUJH-OALUTQOASA-N 453.402 3.992 50 10 JHGE Cc1cc(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c1 2269558556 LFHIQMRFHZRJDD-AREMUKBSSA-N 486.377 3.567 50 10 JHGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1ccc(I)c(Cl)c1 2279411203 UTGMZOYOEFQURK-GXSJLCMTSA-N 472.548 3.865 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 2314789576 ISUIENJGWUDXCW-KRWDZBQOSA-N 456.926 3.999 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2325585065 HZABQRPXEPAKOA-OAQYLSRUSA-N 493.692 3.725 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)C(F)(F)CC1 2377559028 ZHQXVDFNHSLQPF-DCGLDWPTSA-N 455.340 3.629 50 10 JHGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(Cc2ncc(I)cn2)C1 2381292815 GCPPQJMKARTHED-VXGBXAGGSA-N 452.178 3.960 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 12570041 HQEAVCLGRUDFJF-SNVBAGLBSA-N 476.769 3.515 50 10 JHGE CCOC(=O)c1ccc(N/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 39894193 YAQTWBCEXZKDNO-CJLVFECKSA-N 489.528 3.628 50 10 JHGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1 40658735 MLKIEBCPWUFQGY-UHFFFAOYSA-N 457.450 3.997 50 10 JHGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(O)c1 58991783 OGLLGRDVBPEHPQ-SRZZPIQSSA-N 459.553 3.999 50 10 JHGE COc1ccc(/C(C)=N\NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC 59372650 JBDCQOLMSDLZHE-XHPQRKPJSA-N 481.574 3.748 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(C)c2)CCC3)cc1 101593222 DEVZHSQNAOSRRL-NHFJDJAPSA-N 458.518 3.750 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCCN(CCBr)CC1 232487664 PRNZEYJMDQGXGA-UHFFFAOYSA-N 469.015 3.754 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cccc([N+](=O)[O-])c1 252625881 QRGZLYRCKYLXJV-KRWDZBQOSA-N 479.566 3.924 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)cc3O)n2-c2ccccc2)cc1 254380893 OTJTXKYARWIFFP-UHFFFAOYSA-N 475.530 3.597 50 10 JHGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1cc(I)ccc1O 686180616 VCXCEHRPDBBTEJ-VVUYAAESSA-N 450.114 3.773 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 1084343140 UTQOHHFRVZPVHU-UHFFFAOYSA-N 471.966 3.835 50 10 JHGE Cc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084536583 WIBSGYRJDMOAOJ-UHFFFAOYSA-N 470.869 3.883 50 10 JHGE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)NC(C)C 1598223769 VZXJLSFYNLRFID-QFIPXVFZSA-N 450.539 3.599 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)c1ccc(Br)s1)c1ccc(Br)cc1 1636561792 DNKNBVYBDSITBI-LLVKDONJSA-N 457.147 3.592 50 10 JHGE C#CCCCC(=O)NNC(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 1657652379 VOTVABAHSNRZMG-UHFFFAOYSA-N 452.511 3.693 50 10 JHGE C#CCOc1ccc(CNC(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 1682559617 CZDZVWTXPUUOTD-UHFFFAOYSA-N 459.531 3.552 50 10 JHGE Cc1nc2cc(C(=O)O)ccc2n1CCNC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131088 XMVRWZRHFCUMRV-CXUHLZMHSA-N 453.296 3.529 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1cc(Br)cc(Br)c1O 1873795069 QJXQGZJZOXSBIY-QOJWJBQSSA-N 491.180 3.767 50 10 JHGE O=C(NCCOCCCI)c1csc(Br)c1Br 1997684359 VACQWEYRDDVKKZ-UHFFFAOYSA-N 496.990 3.845 50 10 JHGE O=C(c1csc(Br)c1Br)N1CCO[C@@H](CCBr)C1 2052694412 RXTIAOAQGURJPT-ZETCQYMHSA-N 462.001 3.899 50 10 JHGE O=C(Cl)c1c(I)ccc(OC(F)F)c1I 2060175102 XIRDGPYVWNJQIZ-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CCBr 2115851166 LUBLAMRVLKQDHX-IAGOWNOFSA-N 485.444 3.526 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179835903 YKHFWJWMTFTDLB-UHFFFAOYSA-N 463.344 3.706 50 10 JHGE COCCN(C[C@H](C)Br)c1ncc(C(F)(F)F)cc1I 2287959573 XIMMFYAVSIMXFL-QMMMGPOBSA-N 467.067 3.941 50 10 JHGE CN(C[C@H]1CCC[C@@H]1Br)C(=O)c1c(Br)c(Br)nn1C 2338858986 AJJIOHNYPDRMGL-SFYZADRCSA-N 457.992 3.581 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CBr)nc1 2338991197 PBJCYGSVAGBAOG-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2ccc(Cl)cc2I)C1 2340051268 AHRNVMYZRMYOKZ-UYKLKCEZSA-N 476.476 3.813 50 10 JHGE Cn1cc(C(=O)NNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c2ccccc21 10736439 YQCXBNXDTGPPTP-UHFFFAOYSA-N 450.502 3.560 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(Br)c1 13977763 BJQGGPCNKPCBEW-UHFFFAOYSA-N 476.371 3.836 50 10 JHGE N#C/C(=C/c1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCc1ccco1 33745886 JJCSSRNISBSCHS-NKFKGCMQSA-N 493.567 3.970 50 10 JHGE CC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40649700 BOAYJQPZGYOQAB-UHFFFAOYSA-N 471.817 3.650 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658051 TWFPYOAAFXMDLE-UHFFFAOYSA-N 492.221 3.695 50 10 JHGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl 40784432 GBLSWJYYJCFUFZ-UHFFFAOYSA-N 466.716 3.533 50 10 JHGE COc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)cc2C)c(OC)c1 100969739 KMYGOPPYCKMDAE-ZVHZXABRSA-N 478.343 3.674 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1CO 203712562 NFWFWDHQKIZYSJ-SFTDATJTSA-N 455.671 3.933 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1cccs1 254311219 BOCWHLGPFHKLOI-UHFFFAOYSA-N 469.475 3.803 50 10 JHGE Cc1ccc(C(=O)NN=C2C(=N)O[C@@H](c3cccc([N+](=O)[O-])c3)C2=NNC(=O)c2ccc(C)cc2)cc1 254339404 ATEKSUVLVDYAMA-QHCPKHFHSA-N 498.499 3.832 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 254404502 IJBHHGJXIXRGOA-UHFFFAOYSA-N 463.446 3.985 50 10 JHGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc2c(c1)OCO2 254464112 YBJDNFZBQVXMON-IAGOWNOFSA-N 451.523 3.738 50 10 JHGE COc1ccc(C(C)=NNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OC 254501037 HIXPJNGRPQNYOZ-UHFFFAOYSA-N 481.574 3.748 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC 254836571 QOMRDBKHWIKULS-UHFFFAOYSA-N 453.520 3.577 50 10 JHGE O=S(=O)(N[C@]1(CBr)CCOC1)c1c(Cl)cc(Br)cc1Cl 393929837 HGHJGZMAXGSSSF-NSHDSACASA-N 467.994 3.588 50 10 JHGE O=C(Cl)c1nc(I)c(I)cc1OC(F)(F)F 396187973 YCPNWUMESVLAKW-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE C[C@@H](Cl)C[C@@H]1CCCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703966233 DLUAXDNLVMKQEC-SJORKVTESA-N 455.020 3.901 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 721567029 QSYMVOUWVKAATD-SUZMYJTESA-N 450.114 3.775 50 10 JHGE CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1 726279033 MEZFNIJBNHQQHL-SFHVURJKSA-N 469.605 3.970 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc3nc(C)sc3c2)cc1 920849295 CZFWRBFLDDBHBW-GZTJUZNOSA-N 486.557 3.898 50 10 JHGE O=C(COc1ccc(C=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)NCCc1ccccc1 1083927190 LEAVLHQKKVYACG-UHFFFAOYSA-N 480.908 3.750 50 10 JHGE COc1ccc(CCC(=O)NN=Cc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)c(O)c1 1084187566 JFPHRGJWLRIWRH-UHFFFAOYSA-N 468.531 3.560 50 10 JHGE C[C@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1084298924 DFBCMRHXLAFMLI-IBGZPJMESA-N 450.608 3.661 50 10 JHGE CCN(CC)c1c(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)nn1-c1ccccc1 1084623296 SUEDNVGNJNCDQK-UHFFFAOYSA-N 465.470 3.607 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)cc1 1562695021 YFYGUGXHGHITRU-HNNXBMFYSA-N 455.902 3.657 50 10 JHGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1scc(Br)c1Br 2048665608 LWZHSLPUEAXTBI-RQJHMYQMSA-N 462.001 3.803 50 10 JHGE O=S(=O)(C[C@@H](Br)c1cc(Cl)ccc1I)N1CCCC1 2089390043 WGJKHRQUHRMKDW-LLVKDONJSA-N 478.577 3.806 50 10 JHGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cccc(F)c1I 2089392609 ZNKGZALTYJQIEZ-SNVBAGLBSA-N 464.138 3.538 50 10 JHGE C[C@@H](Br)[C@H]1CN(C(=O)c2ccc(Br)cc2Br)CCO1 2117533834 QJYAGMGCDUDKQH-PRHODGIISA-N 455.972 3.836 50 10 JHGE C[P@]1(=O)C[C@H](Cl)[C@H](NC(=O)c2cc(I)ccc2Br)C1 2121337892 PJOJRXBSTMIAAM-QQKBFRNYSA-N 476.476 3.766 50 10 JHGE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1ccc(CBr)cc1)C1CCCC1 2162586263 GPAGLQCQXQYAJC-KRWDZBQOSA-N 461.422 3.943 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@]2(CCl)CCCC[C@H]12 2165234785 OEPROYCMWKENSS-SIKLNZKXSA-N 453.004 3.656 50 10 JHGE O=S1(=O)CC([C@@H](Br)c2cc(Br)c(Br)cc2F)C1 2213487895 AUPWVDIVYINVAT-SNVBAGLBSA-N 450.949 3.831 50 10 JHGE Cc1ccc(C(=O)NC[C@H]2CC[C@H](CBr)CO2)cc1I 2279404607 AXJVBVKMLYFNER-DGCLKSJQSA-N 452.130 3.520 50 10 JHGE CC(C)N(CCOCCBr)C(=O)c1c(F)cccc1I 2282803481 WTHMELVTOFDJES-UHFFFAOYSA-N 458.109 3.692 50 10 JHGE CN(CCCCCI)Cc1c(Br)c(Br)nn1C 2301157952 RXINQBCBXGDJTA-UHFFFAOYSA-N 478.998 3.982 50 10 JHGE COCCN(CCBr)Cc1ccc(I)c(Br)c1 2306220516 YJDUBVNTYXRPGU-UHFFFAOYSA-N 476.978 3.897 50 10 JHGE COc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(O)c(OC)c2)cc1 2313511002 IILDCLRWPCQKSU-UHFFFAOYSA-N 450.232 3.560 50 10 JHGE COc1c(F)cc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)cc1F 2316262073 VOKZNZGBLRRLIG-UONOGXRCSA-N 469.266 3.913 50 10 JHGE C[C@H](Br)C(C)(C)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316816446 AHAMVPOMDRNILE-HNNXBMFYSA-N 473.433 3.572 50 10 JHGE C[C@@H](Br)[C@H]1CCCN(C(=O)c2c(Br)c(Br)nn2C)C1 2338863014 DNOJMZQXWOXBQF-SFYZADRCSA-N 457.992 3.581 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2364022008 LOVYJKJYLOTTSN-CIUDSAMLSA-N 470.003 3.723 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370249013 BQJLBAOIKAHMBH-RCOVLWMOSA-N 457.131 3.990 50 10 JHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)c1C 10334530 DSAXHOILPLQIDG-UHFFFAOYSA-N 477.586 3.639 50 10 JHGE Cc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 12489420 CQGPIVIODPVBDY-UHFFFAOYSA-N 464.385 3.595 50 10 JHGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 13976507 ZQBJWYCIJFICBB-UHFFFAOYSA-N 494.411 3.604 50 10 JHGE CCc1cccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 30768459 KBRMEONKTTUHMK-UHFFFAOYSA-N 463.372 3.914 50 10 JHGE CC(C)CCc1nc(N2CCN(C(=O)CCl)CC2)c2cnn(-c3cccc(Cl)c3)c2n1 34769052 NHJVHLPWXSVSKU-UHFFFAOYSA-N 461.397 3.945 50 10 JHGE Cc1nn(-c2cccc(F)c2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)CCl 34834432 BOOLEACTLVEBRO-UHFFFAOYSA-N 450.002 3.685 50 10 JHGE Cc1nc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])sc1C 40650007 SHWUTOSAQPEXJN-UHFFFAOYSA-N 464.851 3.520 50 10 JHGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCN(c2ccc(F)cc2)CC1 40794927 FGOGMXUMXKTLFR-UHFFFAOYSA-N 497.578 3.800 50 10 JHGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)o3)nnc2-c2cccnc2)cc1 254744452 BKIMBTXBVQJBJF-UHFFFAOYSA-N 462.535 3.872 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCSC[C@@H]1CCCl 689269636 LJDDBKSKQXHDPT-JTQLQIEISA-N 463.644 3.947 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)c1cc(Br)ccc1O 1084141108 BKMWATIMNKOJRC-UHFFFAOYSA-N 458.272 3.629 50 10 JHGE O=C(CSc1nc2ccccc2s1)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1084483204 CNVHETGCNYFVDM-UHFFFAOYSA-N 467.326 3.915 50 10 JHGE C=CCOc1ccc(/C=C\C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1OC 1466239031 XAUSBHQSTRHGAZ-WZUFQYTHSA-N 456.442 3.710 50 10 JHGE C[C@@H](CCCCCI)NS(=O)(=O)CCCOCc1ccccc1 1982189197 CLTZRRRREQXNJB-INIZCTEOSA-N 453.386 3.897 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2cccc(Br)c2Br)CCO1 2117533234 WQCPKPXXGGMGKU-KCJUWKMLSA-N 455.972 3.836 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2121592866 NVQFEJOKBMHTKF-ZKWXMUAHSA-N 474.012 3.755 50 10 JHGE CN(C(=O)c1cccc(F)c1I)[C@@H](CCBr)C(F)F 2122005637 RORJYIFQGVQFPV-VIFPVBQESA-N 450.036 3.921 50 10 JHGE Cn1cc([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)c(Br)n1 2173185150 ZLORYBKDNYFYHE-LBPRGKRZSA-N 463.955 3.924 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179818463 ZYFFNNTUODRENJ-ZWKOTPCHSA-N 453.402 3.626 50 10 JHGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)cc(CBr)c1F 2179862243 SXLNHHOSCGOOGC-INIZCTEOSA-N 455.393 3.924 50 10 JHGE O=C(NC[C@]1(CBr)CCCOC1)c1ccc(Cl)c(I)c1 2283665282 VBKGHZYSHPLEBP-CQSZACIVSA-N 472.548 3.866 50 10 JHGE CNC(=O)C(C#N)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2293038589 NIKLRKPMVBAVBB-QGZVFWFLSA-N 487.335 3.530 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1C(C)(C)C 2314795869 YRVOVCDEVLAHDP-UHFFFAOYSA-N 478.545 3.743 50 10 JHGE C[C@H](CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C[C@@H](C)Br 2316822725 TZQCBEYSUZLJDP-JKSUJKDBSA-N 473.433 3.572 50 10 JHGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1CCN(c2ccc(F)cc2)CC1 2325406207 SVDDBLUZODIEER-UHFFFAOYSA-N 490.320 3.907 50 10 JHGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)c1 10672315 HMFVFBCSTRGQQA-GFCCVEGCSA-N 450.358 3.576 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2Cl)c(Br)c1 14026959 TUZSXTBNUKXEJC-LBPRGKRZSA-N 455.736 3.659 50 10 JHGE Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1I 14031659 SDVZJHDKNJBNGV-AWEZNQCLSA-N 474.298 3.981 50 10 JHGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1 20831387 MYQJPPXDNREQLM-UHFFFAOYSA-N 473.002 3.818 50 10 JHGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccccc1 31900087 RMVQGKJSSNWOEE-NKFKGCMQSA-N 474.538 3.991 50 10 JHGE COC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811728 JSJHNIKQTZRVNY-UPOKKJMKSA-N 462.344 3.586 50 10 JHGE CCOc1cccc(-c2c(C(=O)NN=C(C)c3ccc4ccccc4c3)nnn2-c2nonc2N)c1 254304461 VJLHHXGUPFRWJB-UHFFFAOYSA-N 482.504 3.605 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(OC)cc1 254304983 YEHWZHKLRBIDHJ-UHFFFAOYSA-N 493.472 3.750 50 10 JHGE Cc1cc(C)nc(SCC(=O)NN=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)n1 263625671 CJCWBJHXFWIRQR-UHFFFAOYSA-N 451.508 3.823 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F 1083982754 BUJGIKZUJKPGEF-UHFFFAOYSA-N 455.290 3.680 50 10 JHGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1C 1084243306 WAJGTSBBOGKGTI-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE N#CCOc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 1084383718 ZIRLTJZFSZTZEF-KRWDZBQOSA-N 450.720 3.969 50 10 JHGE CCOC(=O)c1c(OC(F)(F)F)cnc(I)c1CBr 1848387627 JEAWDDAPZKDIDG-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE COc1ccccc1-c1ccc(C(=O)NNC(=O)Cc2ccc(Br)s2)c(C)n1 1865760444 XURLLNRQWKXUHJ-UHFFFAOYSA-N 460.353 3.893 50 10 JHGE CCN(CC)CCN(C(=O)/C(C#N)=C/c1ccc(Br)cc1)C(=O)c1ccc(N)cc1 1866367452 BPXFDXVFXLVUIB-XDJHFCHBSA-N 469.383 3.949 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1C(=O)Nc2ccc(I)cc21 1975073035 SXBWZZDFYMEMKU-RYUDHWBXSA-N 481.128 3.615 50 10 JHGE CCN(C[C@](C)(CI)OC[C@H](C)N1CCCC1)C(=O)OC(C)(C)C 2013717068 ZVYSHROCATWEEZ-YJBOKZPZSA-N 454.393 3.938 50 10 JHGE O=S(=O)(c1ccsc1CBr)N1CCN(Cc2ccccc2)CC(F)(F)C1 2123284309 OFSNESZUNUSONO-UHFFFAOYSA-N 465.385 3.785 50 10 JHGE C[C@@]1(CCl)COCCN1C(=O)c1ccc(Br)cc1I 2142289442 ZQJJDOZCQFMFPQ-CYBMUJFWSA-N 458.521 3.524 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3C[C@@]3(CBr)C2)cc1Br 2146321533 RCRVQWOMTDGJPI-TVQRCGJNSA-N 488.039 3.926 50 10 JHGE O=S(=O)(c1cscc1Br)N1CC[C@@](CBr)(C(F)(F)F)C1 2167689842 LNGMGVTUONOOSQ-VIFPVBQESA-N 457.131 3.849 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178090773 IGOOHWOAVGFZMH-LNLATYFQSA-N 467.983 3.694 50 10 JHGE COc1ccc(CBr)cc1S(=O)(=O)N1CCC[C@@H](OCc2ccccc2)C1 2186379663 BPRKQIUDKJNPHI-GOSISDBHSA-N 454.386 3.960 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2200815537 NFGCRGYQSZNTKO-DNVCBOLYSA-N 459.406 3.507 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCO[C@]2(CCl)C1 2239904575 RAKMIGFOLOYWKS-LKFCYVNXSA-N 470.532 3.524 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](O[C@H]2CCN(Cc3ccccc3)C2)C1 2242036353 KWBQMJBJVRYWEZ-BZSNNMDCSA-N 472.367 3.700 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@H]1[C@H]2CBr 2277923572 ATPRDDOQLQUZKW-ICCXJUOJSA-N 451.984 3.996 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(F)cc2)cc1 2293854813 VBENFEATJDEGMV-UHFFFAOYSA-N 476.533 3.735 50 10 JHGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 2313567702 MUUVSSJAEXBDKX-UHFFFAOYSA-N 477.258 3.774 50 10 JHGE N#CC(=CN1CCN(C(=O)c2ccco2)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325385034 YMABRRSFFOIYQG-UHFFFAOYSA-N 452.820 3.756 50 10 JHGE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325592125 WHUMRMXXIDGGAR-YCRPNKLZSA-N 495.708 3.875 50 10 JHGE COCCN1C[C@@H](Br)[C@H](Cc2ccc(Cl)c(I)c2)C1 2337218930 NTAXDQTWFURUSZ-VXGBXAGGSA-N 458.565 3.829 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2343301192 ZCYWOLANVRDYTJ-ILWJIGKKSA-N 455.159 3.631 50 10 JHGE O=C1C[C@H](I)[C@@](c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1 33902583 UBQSMYZUMKSSBD-NZQKXSOJSA-N 488.369 3.687 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38653527 KLFYARRSFARQMZ-HSZRJFAPSA-N 488.412 3.706 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)CSCc2ccccc2)c1C 59167545 ZCISLDSGGRVLHB-FSJBWODESA-N 453.524 3.789 50 10 JHGE COc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)cc2Cl)cc1I 66202169 AIAKCSBFUYQHOA-AWQFTUOYSA-N 474.682 3.734 50 10 JHGE O=C(CCBr)c1c(I)cccc1I 306724435 UUVCKAYAGMCLTR-UHFFFAOYSA-N 464.866 3.864 50 10 JHGE CCCCOCCOCCOCCO[C@@](C)(CBr)CNC(=O)OC(C)(C)C 312181094 MGNQQZGXPRTFHT-IBGZPJMESA-N 456.418 3.531 50 10 JHGE C[C@H](Br)Cc1cn(-c2cc(I)ccc2Br)nn1 709379013 ZECJWQMYWFVXEI-ZETCQYMHSA-N 470.934 3.960 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(OC)cc2OC)cc1)S(=O)(=O)c1ccccc1 1084006804 SXCMIUNXXZOHNI-UHFFFAOYSA-N 479.558 3.849 50 10 JHGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084627939 AGCJVSSXBLQLMW-UHFFFAOYSA-N 482.899 3.894 50 10 JHGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084641263 YQWMGGHGSYCPNZ-UHFFFAOYSA-N 499.976 3.781 50 10 JHGE CCCCCN1C(=O)C(=NNC(=O)COc2ccccc2Br)c2cc(OC)ccc21 1772720718 SRONTVCHIMIYLU-UHFFFAOYSA-N 474.355 3.894 50 10 JHGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NCc4ccc5c(c4)OCO5)c(C)c32)cc1 1772745708 IYDRYQTZFOFFGQ-UHFFFAOYSA-N 475.501 3.726 50 10 JHGE COc1ccccc1-c1ccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)c(C)n1 1865760162 JXGBNFSKMYOBFM-UHFFFAOYSA-N 486.528 3.535 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)C1 1877584240 BPKWJAOGSLNCGH-GFNJIJJESA-N 451.427 3.868 50 10 JHGE Brc1cc(I)cnc1N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2069531254 GDGLTAXUMUNLCL-WHGOUJPWSA-N 487.961 3.580 50 10 JHGE C[C@@H](CBr)N1CCN(C(=O)c2cc(Br)sc2Br)CC1 2113066331 MRRQIZOXEFBDGC-QMMMGPOBSA-N 475.044 3.814 50 10 JHGE O=S(=O)(c1csc(CBr)c1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2123225105 KUJCBHGGCPSXID-UHFFFAOYSA-N 465.385 3.785 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](F)[C@H](CBr)C2)cc1Br 2177127567 DXBPUGZKZXAELM-KCJUWKMLSA-N 494.018 3.874 50 10 JHGE O=S(=O)(C1CCC(CBr)CC1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2179825280 FSQGBZOKZJAJDP-WWFYLNGCSA-N 455.462 3.724 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2184359703 BCIXKIHXCWVYLS-HOCLYGCPSA-N 461.422 3.799 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@H](CBr)C12CCC2 2190363029 KVJIIEMLTJGTIB-SNVBAGLBSA-N 450.114 3.777 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@@H]2[C@@H]1CBr 2277927269 LADSHICDNFXNPC-XDTLVQLUSA-N 451.984 3.996 50 10 JHGE CC(=CC#N)N1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)Nc4nccs4)cc3)cc2C1=O 2313811548 LDUZLQWCTPLKBH-UHFFFAOYSA-N 457.471 3.671 50 10 JHGE C[C@H]1C[C@H](O[C@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)S1(=O)=O 2352579898 PBSPRXSKQPDOJL-KRXQYRFLSA-N 454.427 3.522 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC1(CBr)CC2(CCC2)C1 2364023299 ZMJZSAMAJPLWTE-UHFFFAOYSA-N 470.003 3.773 50 10 JHGE Cn1cc(I)c(CN2CC[C@H](C3CCC(Br)CC3)C2)n1 2381545347 MORKKSUPGGPCNU-CPCZMJQVSA-N 452.178 3.800 50 10 JHGE O=C(NC(=S)NNC(=O)c1ccccc1I)c1cc(Cl)cc(Cl)c1 10505774 AWASXMLSWJMEST-UHFFFAOYSA-N 494.141 3.547 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccccc1Br 12500902 UZXGSFFENGYTBA-SECBINFHSA-N 491.194 3.859 50 10 JHGE Cc1ccc(-c2cc(C(=O)NNC(=O)CCNC(=O)c3ccccc3)c3ccccc3n2)cc1 16005353 PWFHAKYWKYZOOA-UHFFFAOYSA-N 452.514 3.791 50 10 JHGE Cc1ccc(C(=O)NNC2=NC(=O)C[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)S2)cc1 22531506 FAMMLXPOXHCQIJ-OAHLLOKOSA-N 451.335 3.563 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 38653764 FSISDTSPEQXYCV-XMMPIXPASA-N 473.441 3.806 50 10 JHGE C=CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3cccc(Cl)c3)c3ccccc31)C(C#N)=C(N)O2 39919101 MXIBPWFLOFADNO-MHZLTWQESA-N 484.943 3.915 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H](CBr)O1 235657253 KZWVIYKHEXLKQA-WPRPVWTQSA-N 458.521 3.569 50 10 JHGE O=C(COc1ccc(I)cc1)NN=Cc1cccc(Br)c1 252626339 RASRIYLXXTVKTA-UHFFFAOYSA-N 459.081 3.583 50 10 JHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccs2)c2cccc3cccnc23)cc1 254305124 AMXYDRMRDOLNCY-UHFFFAOYSA-N 464.572 3.950 50 10 JHGE Cn1ncc(-n2c(CCl)nc3cc(I)ccc32)c1Br 694184075 SAMWOCCPYWRVIE-UHFFFAOYSA-N 451.493 3.865 50 10 JHGE C[C@@H](NC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc(F)cc1 761410318 LBEVVFWAMSCHQQ-ALDSOSFCSA-N 471.492 3.930 50 10 JHGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(O)c(Br)c1 1084534161 LOPPSCGAHJGXRA-HNNXBMFYSA-N 456.134 3.881 50 10 JHGE CC(=O)c1cccc(OCc2cc(C(=O)NNc3cc(C#N)ccc3Br)no2)c1 1453047579 XDGHEFNCPRKDGA-UHFFFAOYSA-N 455.268 3.847 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(Br)sc2Br)c1 1558199551 IMNFFAXLKLMOPQ-UHFFFAOYSA-N 459.188 3.886 50 10 JHGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)Nc1ccc(Br)cc1 1639370453 PNQAKWFPHVZDGJ-UHFFFAOYSA-N 456.300 3.666 50 10 JHGE CC(C)(C)c1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)cc(C(C)(C)C)c1O 1873792287 ADEYXHBCOXBXHG-LGJNPRDNSA-N 450.539 3.553 50 10 JHGE O=C(NC[C@]1(CBr)CCCO1)c1cccc(Br)c1Br 1879595648 MKFZZBKHGNBYQY-CYBMUJFWSA-N 455.972 3.886 50 10 JHGE O=C(NCCCCBr)c1ccc(Br)cc1I 1995285948 MWOXUJACLIZXSY-UHFFFAOYSA-N 460.935 3.959 50 10 JHGE C[C@H](CBr)N1CCN(C(=O)c2csc(Br)c2Br)CC1 2113065356 AWEPUJPUFZEDBD-MRVPVSSYSA-N 475.044 3.814 50 10 JHGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCOC2)c(CCBr)c1 2179826465 SIFABYAJYCENIG-GOSISDBHSA-N 454.386 3.612 50 10 JHGE CN(C[C@@]1(Br)CC1(F)F)S(=O)(=O)c1cc(CCl)oc1Br 2202538591 VNDKILALSCKEDL-VIFPVBQESA-N 457.518 3.574 50 10 JHGE COc1ccccc1C=CC(=O)NNC(=O)COc1ccc2ccccc2c1Br 2313621548 ZXZWNIHJOGDYSX-UHFFFAOYSA-N 455.308 3.851 50 10 JHGE COc1ccc(-c2ccc(C(=O)NN=C(C)c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)c(C)n2)cc1 2321266283 AXTXHMXGEJKXHI-KRWDZBQOSA-N 458.518 3.963 50 10 JHGE O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C[C@@H]1COc2ccccc2O1)C(=O)CCl 3039501 JIRKGYSWSLPLCD-AUSIDOKSSA-N 460.933 3.833 50 10 JHGE Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1 8766313 MMBNONYXOBWFPG-AQTBWJFISA-N 457.552 3.577 50 10 JHGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNS(=O)(=O)c3ccccc3)cc2)cc1 12492382 TWZHXUILRPLXHJ-UHFFFAOYSA-N 451.548 3.860 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1 12578883 HKQOKAOHKYEYFR-UHFFFAOYSA-N 499.308 3.927 50 10 JHGE COC(=O)Oc1ccc(C=NNC(=O)CSCc2ccccc2Br)cc1OC 13108909 PPGGAPXEUXGXFM-UHFFFAOYSA-N 467.341 3.986 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039716 ZPSHUHZRMMZSIG-UHFFFAOYSA-N 491.569 3.659 50 10 JHGE N#C/C(=C/c1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1)c1ccccc1 31902591 QCDLHFSARQKZGX-QJOMJCCJSA-N 474.538 3.991 50 10 JHGE O=C(CSc1nc2ccccc2s1)N/N=C\c1cc(Br)c(O)c([N+](=O)[O-])c1 32519858 ODBOGPKQJDJLTA-WSVATBPTSA-N 467.326 3.915 50 10 JHGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\NC1CCN(C(=O)OC(C)(C)C)CC1 217188090 IXDMEMULALJQFV-ORKPOYISSA-N 456.587 3.968 50 10 JHGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(C)c2)ccc1OC(=O)/C=C/c1ccccc1 254834062 SOEVAHJQTOFVRV-IYJSBYPYSA-N 457.486 3.711 50 10 JHGE CCCN1C(=O)C(=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c2ccccc21 254867677 LOKAJDGPVOGJOF-UHFFFAOYSA-N 485.569 3.711 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 398745820 SBCJVHRWPRBRJZ-QJPTWQEYSA-N 450.114 3.632 50 10 JHGE O=C(NC1(CBr)CC1)c1ccc(I)c(Br)c1 721576673 HEVXITMTPZTODD-UHFFFAOYSA-N 458.919 3.711 50 10 JHGE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCSSCC1 757344044 ZSKUFFRQUGWIFQ-FQEVSTJZSA-N 472.588 3.592 50 10 JHGE Cc1cc(I)ccc1N[C@H](C)C(=O)NN=Cc1ccc([N+](=O)[O-])s1 1084097684 HIBBGMJABNFNBG-SNVBAGLBSA-N 458.281 3.520 50 10 JHGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084333002 SOKMQIDUQCZKSM-PBDKAQRYSA-N 490.604 3.703 50 10 JHGE CCOC(=O)c1cnc(I)c(CBr)c1OC(F)(F)F 1848387500 AFFKGACWRWUGDD-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE COC(=O)c1[nH]c2ccc(F)cc2c1/C=N/NC(=O)COc1ccc(C(=O)NC2CCCCC2)cc1 1873497613 YOHLMCRGLRTUPB-CCVNUDIWSA-N 494.523 3.685 50 10 JHGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C=Cc2cccc(Cl)c2)c1 2042445683 HYLSTDMZXGLPMJ-UHFFFAOYSA-N 485.949 3.624 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)CCO1 2117533840 QJYAGMGCDUDKQH-UFBFGSQYSA-N 455.972 3.836 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cc(C)c(CBr)s1 2123244207 TWOZEGAVTKBYPG-UHFFFAOYSA-N 462.431 3.805 50 10 JHGE Cc1cc(C(=O)NC[C@H](CBr)C(F)(F)F)ccc1I 2142105544 DQMJPMIQWKPOES-VIFPVBQESA-N 450.036 3.903 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268344191 ZJFXAVYATGDCGU-UWVGGRQHSA-N 458.521 3.569 50 10 JHGE Cc1ncnc(N2CC[C@](CBr)(C(F)(F)F)C2)c1I 2339887102 OYGHNPDXHAZUJH-SNVBAGLBSA-N 450.040 3.543 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2ccc(Cl)cc2I)C1 2340049855 KOVJZIFPFWMHLG-UWVGGRQHSA-N 458.521 3.569 50 10 JHGE CC(C)C[C@@H](CBr)CN1C(=O)C(=O)c2cc(I)ccc21 2382191045 QWHCYPPWUXHQOB-JTQLQIEISA-N 450.114 3.878 50 10 JHGE COc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)cc1O 12482933 UXZLTEODRISBOI-DNTJNYDQSA-N 472.133 3.763 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13976698 LKUCJSAXZOTONO-QMMMGPOBSA-N 491.740 3.658 50 10 JHGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(Cl)cc2I)c1C 32488519 FYXFBUXUUVVRAR-GFCCVEGCSA-N 472.710 3.790 50 10 JHGE COc1ccc(/C(C)=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 33304312 XVMJYONUNXKWTI-LPYMAVHISA-N 472.299 3.765 50 10 JHGE COc1ccc2c(c1)/C(=N\NC(=O)c1cc(Br)ccc1O)C(=O)N2CCC(C)C 38180405 FZIGTLNWNINFLB-FCDQGJHFSA-N 460.328 3.690 50 10 JHGE CCOc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 38608985 ZPPHJKSRMCJKDL-PXLXIMEGSA-N 498.576 3.682 50 10 JHGE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41015546 XBFYQXSPJLUGSF-OQKWZONESA-N 478.545 3.788 50 10 JHGE CCN(CC)c1ccc(C(=O)N/N=C(/C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 59531577 ZQHPJLFNFCQNDW-ITYLOYPMSA-N 468.579 3.758 50 10 JHGE Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)OCC(=O)NNC(=O)c1ccccc1 96506741 KJFKSCHVKOVJRY-QXMHVHEDSA-N 487.343 3.564 50 10 JHGE COc1cc(C(=O)NC2=N/C(=C(\C#N)C(=O)Nc3ccccc3)c3ccccc32)cc(OC)c1OC 102601575 DFMAFHKILLZFLQ-BSYVCWPDSA-N 482.496 3.776 50 10 JHGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3ccc(C)cc3)c3ccccc23)C1 254555809 KXSDKPRIMMDGOM-NRFANRHFSA-N 466.607 3.510 50 10 JHGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)=C\c1ccccc1 254766289 LXXKHSYUCVBGML-ACKWELIBSA-N 474.550 3.652 50 10 JHGE CCN(C[C@](C)(CI)OCCOCCCOC)C(=O)OC(C)(C)C 303862499 CGSYCTGNXAPLCH-KRWDZBQOSA-N 459.365 3.507 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC#N)c(OC)c2)cc1 1084012324 QMFPLHFHFDAANS-IBGZPJMESA-N 490.354 3.723 50 10 JHGE O=C(N[C@@H]1C[C@H]1CBr)c1ccc(I)c(Br)c1 1894179034 HSYHQFXRUGTGRJ-OIBJUYFYSA-N 458.919 3.567 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2cc(Br)ccc2Br)C1 1899906243 LAGUUBUIORFCTQ-SWZMTVOYSA-N 455.972 3.884 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1993396022 FGILFBWMZPAIGW-QSPRXWTASA-N 451.370 3.503 50 10 JHGE C[C@H]([C@H](Br)c1ccc(Br)cc1Br)S(=O)(=O)N(C)C 2029073679 GECMJLQDUIAPSW-HQJQHLMTSA-N 464.017 3.928 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1Br)N1CCN(Cc2ccccc2)CC1 2059315379 ZFQNDMCSPIWXNX-UHFFFAOYSA-N 488.245 3.851 50 10 JHGE C[C@H](NC(=O)c1csc(I)c1)c1nnc(CBr)s1 2072471732 RKNZNWHFBSSMPE-YFKPBYRVSA-N 458.144 3.590 50 10 JHGE O=S(=O)(C[C@H](Cl)c1cc(I)ccc1Br)N1CCCC1 2089394146 RYUMHKYXLBPGTH-LBPRGKRZSA-N 478.577 3.759 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1Cl)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2123211007 SEWJWABSWKEYCJ-SJORKVTESA-N 455.805 3.882 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178080971 BAUNPSTUCPDPPG-KDDOJWQBSA-N 467.983 3.694 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC[C@H](Cl)C2)CC1 2288066502 UYNFCEHGXNDPFG-INIZCTEOSA-N 453.004 3.512 50 10 JHGE COCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O 2296543640 TXMQGTHDVHRWAE-UHFFFAOYSA-N 466.925 3.817 50 10 JHGE Cc1cc(=O)oc2cc(OCC(=O)Oc3ccc(C=C(C#N)C(=O)NCc4ccco4)cc3)ccc12 2314755175 WWPQDJGBOCWTIG-UHFFFAOYSA-N 484.464 3.902 50 10 JHGE COc1c(Cl)cc(C=NNC(=O)c2cc(-c3cccs3)nc(O)n2)c(OC)c1Cl 2323701201 RKBIGKLKRUVTNU-UHFFFAOYSA-N 453.307 3.999 50 10 JHGE O=C(C=Cc1ccc(Cl)cc1Cl)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 2325888123 MQLCUSJSQCCSII-UHFFFAOYSA-N 477.373 3.504 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(C)(C)C)CN(CCOCCI)C1 2326643940 XSTBPPMUSXRONW-CVEARBPZSA-N 468.420 3.947 50 10 JHGE CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14024495 ACIISMKSCQRTQW-OAHLLOKOSA-N 486.160 3.595 50 10 JHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14040939 SNWGIKWYFJTPEH-UHFFFAOYSA-N 461.518 3.814 50 10 JHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)c1 14667366 BGNYMBRLIDMZHK-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE COc1ccc(/C=C\C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 33561836 CBABTKMZDUTWOQ-GHXNOFRVSA-N 461.356 3.995 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 206959378 GWTMBVIJHAAJOW-BOPFTXTBSA-N 497.485 3.578 50 10 JHGE CC[Si](CC)(CC)O[C@@H]1CO[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](CC(=O)O)[C@@H]1CC(=O)O 616586968 GXHFACSBTKJLNX-XHHGLIPKSA-N 469.563 3.902 50 10 JHGE C[C@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1cc(F)ccc1N1CCC(O)CC1 730680386 BSLSMRVXPPEEJM-INIZCTEOSA-N 456.562 3.790 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCC#N)c(Br)c2)cc1 1084013898 NVUVSDIFMTXXPD-LJQANCHMSA-N 460.328 3.714 50 10 JHGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)c2C)c1 1084408079 HHLWSPHHZJUGLZ-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE Cc1cc(C)cc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c1 1084551034 IXQHNMMPOZEOSE-UHFFFAOYSA-N 476.558 3.551 50 10 JHGE C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C\c1cc(Br)ccc1OC(F)F 1086849167 AHHQKPLVHSIYRN-DHHDDZJSSA-N 473.245 3.818 50 10 JHGE C#CCCCC(=O)NNC(=O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1597394366 ZSKLWZTXYJYIMQ-IBGZPJMESA-N 459.546 3.598 50 10 JHGE COc1ccccc1-c1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)c(C)n1 1865764250 HEWFKXUIZOHMOA-PYWPZVNCSA-N 458.518 3.963 50 10 JHGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)C1 1872961352 JURJFXFJHZFFCJ-SFTDATJTSA-N 499.571 3.609 50 10 JHGE O=S(=O)(CCl)Nc1cc(Br)c(I)c(Br)c1 1931648533 ZHJPQWCPCJXJDG-UHFFFAOYSA-N 489.354 3.754 50 10 JHGE C[C@@H]1[C@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C2CCN1CC2 2077344807 YECBCHAGDAFFSY-SIXWZSSISA-N 464.388 3.690 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2C[C@@]1(CBr)CO2 2094647618 WQWGNLUCZRSJSE-NOZJJQNGSA-N 453.956 3.590 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2162590605 CWYUDGMYWNHGAX-IBGZPJMESA-N 461.422 3.897 50 10 JHGE C[C@H](NS(=O)(=O)c1ccc(CBr)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2162592274 SJDMSABPKDWRCW-HOCLYGCPSA-N 461.422 3.895 50 10 JHGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(S(=O)(=O)N2CC(OCc3ccccc3)C2)C1 2165001321 YHBBGGAKIUJNDP-ROUUACIJSA-N 459.450 3.511 50 10 JHGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N1CC2(CN(Cc3ccccc3)C2)C1 2179862545 XVWATNXUTPFZIJ-UHFFFAOYSA-N 473.795 3.881 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NCCCCCI)CC1 2214705651 VGVDESOJYYBVRR-DEOSSOPVSA-N 473.421 3.547 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H]2COC[C@@]2(CBr)C1 2226184127 VRMHIBOQCWSMNP-JVXZTZIISA-N 474.012 3.757 50 10 JHGE Cn1ncc(-n2c(CCl)nc3c(Br)cccc32)c1I 2265312724 XPNKUTRUQOJOFL-UHFFFAOYSA-N 451.493 3.865 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2[C@H](CBr)[C@@H]2C1 2277921905 VGUBYCICKLYBHA-CLLJXQQHSA-N 451.984 3.853 50 10 JHGE CC(C)(CBr)CS(=O)(=O)N1C[C@@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2290076537 GCFWGONEJNJPCL-OYRHEFFESA-N 455.462 3.725 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@]1(C)CCC[C@H]1Br 2338670111 MPWUUNBJUQEFED-JMCQJSRRSA-N 457.992 3.629 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@@H]1COC2(CCC2)CO1)C(=O)OC(C)(C)C 2339384919 UVGUVSDVHTZNQO-CRAIPNDOSA-N 483.387 3.792 50 10 JHGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CCOCCI)[C@@H](C(F)(F)F)C1 2351591965 XBKAZGMXGJNIKW-ZIAGYGMSSA-N 494.336 3.996 50 10 JHGE Cc1cccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 12483675 DVOJRICANQQQQM-UHFFFAOYSA-N 456.134 3.668 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1I 12573593 QSJPBBYJLFCEDD-UHFFFAOYSA-N 465.074 3.681 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1 38650013 ZDKINAOVDSJHLS-RUZDIDTESA-N 458.470 3.906 50 10 JHGE CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3cccc(Cl)c3)c3ccccc31)C(C#N)=C(N)O2 39918987 YBZLWUXKILMHEK-SANMLTNESA-N 472.932 3.749 50 10 JHGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 207082441 ZOXITCKFKAXSCG-WQRHYEAKSA-N 468.506 3.763 50 10 JHGE COC[C@@H](Br)CN(C)C(=O)c1cc(Br)ccc1I 234667016 CREAARWPMSDCLP-VIFPVBQESA-N 490.961 3.536 50 10 JHGE COc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I 252618174 LEQXFTIBAKDVMC-UHFFFAOYSA-N 486.309 3.686 50 10 JHGE COc1cc(C=NNC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254702280 WGOGJUXOBWXUBB-UHFFFAOYSA-N 463.446 3.660 50 10 JHGE CCOc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OC 254745097 LAUYVIODGZAFMA-UHFFFAOYSA-N 476.558 3.991 50 10 JHGE COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@](C)(C(=O)OC)c2cccc(Br)c2)c1C 730992967 HGSQICFNEHKLGR-SJQUQUAPSA-N 488.382 3.625 50 10 JHGE C=CCOc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 1084044307 HUYJINZKVBXSFE-UHFFFAOYSA-N 491.613 3.944 50 10 JHGE COc1cccc(C(C)=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 1084570470 FEFBFIFFLPKFCI-UHFFFAOYSA-N 458.547 3.970 50 10 JHGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 1084583777 FHHHMEUFCBBYCG-QFIPXVFZSA-N 462.502 3.936 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Cl)c(Br)c2)cc1 1667799181 OIMDKARJTHFHGE-NSHDSACASA-N 454.708 3.925 50 10 JHGE C#CC[C@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1 1670715570 BAODFPTVJRJFLT-UIOOFZCWSA-N 452.558 3.709 50 10 JHGE Cc1c(C(=O)Oc2cccnc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748282 VWFLGYYPEHTNLW-UHFFFAOYSA-N 469.295 3.830 50 10 JHGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1ccc(C(F)(F)F)cc1 1860769886 KLGYRGLPIVPCQT-UHFFFAOYSA-N 472.448 3.605 50 10 JHGE CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860770605 PJFMPQWIYOXPPM-MDWZMJQESA-N 488.569 3.693 50 10 JHGE COc1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1[N+](=O)[O-] 1860822438 DVXQLCVWOKGRDM-DAFNUICNSA-N 464.865 3.938 50 10 JHGE C[C@@H](CCBr)N(Cc1ccccc1)c1ncnc(O)c1I 1915069803 OKAKYWWGXYYRIC-NSHDSACASA-N 462.129 3.967 50 10 JHGE CCOc1c(I)cc(I)cc1C(=O)CCl 2060133607 FRCVGQUHJAGCQB-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE O=C(c1sccc1I)N1CCC2(CC1)C[C@@H](Br)CO2 2116537697 GOPFLROEKKUNJG-SECBINFHSA-N 456.143 3.511 50 10 JHGE Cc1cc(S(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)sc1CBr 2132370029 RZIZXRJYMONIQY-SJORKVTESA-N 455.443 3.846 50 10 JHGE CCCN1CC[C@@H]([C@@H](Br)c2cccc(C)c2I)S1(=O)=O 2145765447 BLTOWXPEFNHSLC-STQMWFEESA-N 472.186 3.850 50 10 JHGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(CC)c1 2179786360 ZLZGZEJVTPVWNN-UHFFFAOYSA-N 456.450 3.936 50 10 JHGE CC(C)[C@H]1CN(S(=O)(=O)c2ccc(CBr)cn2)CCN1Cc1ccccc1 2179821583 MBCKHNLUIYHMOM-LJQANCHMSA-N 452.418 3.508 50 10 JHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)[C@@H](Cl)c2ccccc2)C1 2259430446 FDTNSVVZMZWJPI-SFHVURJKSA-N 467.994 3.939 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2OCC[C@@]2(CCl)C1 2296369785 NVYHJTSBRQAYKF-TZMCWYRMSA-N 470.532 3.524 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)=O 2297551687 ZDNRLUDDDGYKRG-UHFFFAOYSA-N 460.240 3.837 50 10 JHGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1OCC 2313681602 JADKMVUZICTBHS-UHFFFAOYSA-N 466.538 3.814 50 10 JHGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cc(OC)c(OC)c(OC)c2)sc2c1CCCC2 2314572278 XMBKDTIQTHQOQP-UHFFFAOYSA-N 456.520 3.985 50 10 JHGE Cc1csc2nc(Cl)c(C=NNC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)n12 2325903195 DYUJKCHQHRBEPL-JQWIXIFHSA-N 489.026 3.965 50 10 JHGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1ccc(Cl)cc1I 2365593337 TZLLWQHZVPPGJC-KOLCDFICSA-N 472.548 3.865 50 10 JHGE C[C@]1(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@@H]2Br 2380916017 ZGZWICQNQZKSGG-VFIVLBOOSA-N 497.455 3.715 50 10 JHGE O=C(NN/C=C1\C(=O)N(Cc2ccccc2)C(=O)c2ccccc21)c1cc(-c2ccccc2)n[nH]1 9662291 ZTWGFEWPQLUNSM-JWGURIENSA-N 463.497 3.535 50 10 JHGE COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1OC 12583635 GMYZVIKHUBQUNS-AWQFTUOYSA-N 472.133 3.758 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C\c2cccc3ccccc23)cc1 34984147 SNEYFGHLESFQJN-GDNBJRDFSA-N 490.585 3.693 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38650295 DISIRLOYHSQOHB-XMMPIXPASA-N 473.441 3.806 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccco3)n2-c2ccc(OC)cc2)cc1 254287223 QFBGJDPFJUMZFB-UHFFFAOYSA-N 463.519 3.787 50 10 JHGE COc1ccccc1NCc1nnc(SCC(=O)NN=Cc2ccccc2O)n1-c1ccccc1 263629960 YTHAZEQQAJCLGV-UHFFFAOYSA-N 488.573 3.836 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CCN2C[C@H](Br)C[C@H]2C1 405264541 KXPLKRNLCAOFJR-SFYZADRCSA-N 473.028 3.567 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2ccc(C(=O)O)cc2)cc1)S(=O)(=O)c1ccccc1 725441588 KZKLDPLMFQSUME-UHFFFAOYSA-N 463.515 3.530 50 10 JHGE COc1cc(OC)c(C=NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 1084293913 XFSSINDVENOJSL-UHFFFAOYSA-N 468.735 3.989 50 10 JHGE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F 1349633505 XRASPHTUYZTXPI-CYBMUJFWSA-N 453.914 3.654 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H]1Br 2026222557 ZYDGLCRPVXGMQN-XVKPBYJWSA-N 472.946 3.909 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CC2(C1)OCCC[C@@H]2Br 2159661841 OMXBDADPVLXZLD-LBPRGKRZSA-N 467.983 3.980 50 10 JHGE O=S(=O)(Nc1cc(Br)c(Cl)cc1F)N1CCC(Br)CC1 2168961674 WVSACWRNGLLPGB-UHFFFAOYSA-N 450.555 3.758 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179825928 MZKWOSHQKTUJPW-JSXRDJHFSA-N 455.462 3.724 50 10 JHGE ClC[C@@H](I)[C@@H](CCl)OCCOCCOCCOCc1ccccc1 2214899199 QODWHBBOOBWOLH-IAGOWNOFSA-N 491.193 3.903 50 10 JHGE Cc1ccc(C(=O)N(CCBr)CC(F)(F)F)cc1I 2224618488 KPQDODKMYYCNLI-UHFFFAOYSA-N 450.036 3.999 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)N2CCC(Br)CC2)[C@@H](C(F)(F)F)C1 2280941361 BZGVNJPUMUZRDT-QWHCGFSZSA-N 458.319 3.886 50 10 JHGE CCC[C@H](CCl)S(=O)(=O)c1ncc(I)cc1Br 2307178211 AYQWKKRXXDLTIT-MRVPVSSYSA-N 452.539 3.630 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(Br)c1 2313862240 PGRILYKGFWHIBH-UHFFFAOYSA-N 462.300 3.720 50 10 JHGE CCOc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314620184 LRGZVWYLWCNVDA-UHFFFAOYSA-N 454.523 3.666 50 10 JHGE CC[C@@H](Br)CCCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821015 AALSTRWIKFGWBW-MRXNPFEDSA-N 473.433 3.716 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CC2(CC[C@H](CBr)O2)C1 2361878443 CRCMVBLMBZWIIA-SNVBAGLBSA-N 467.983 3.980 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)ccc1Br 10283550 YYHFHGJTMVXQHA-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 10295850 VTOZNPKIVPAZCH-AWEZNQCLSA-N 494.411 3.649 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCc1ccccc1Cl 10460225 FYYASQDBFNLGCM-UHFFFAOYSA-N 460.770 3.680 50 10 JHGE CC(C)C1=CC(=O)[C@@](C)(Br)[C@@H](Br)/C1=N\S(=O)(=O)c1ccccc1 12561067 DVKJIDDNNDDYAO-NZKCUXCTSA-N 463.191 3.899 50 10 JHGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c1C 58890457 RYRBVRLKDHSAMK-OOEUXUOGSA-N 450.495 3.975 50 10 JHGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccncc2)cc1I 59152599 QNDWOJZTFIJLRK-DHRITJCHSA-N 482.281 3.901 50 10 JHGE CC(C)[Si]1(C(C)C)OC[C@H]2OC(n3ccc(N)nc3=O)=C(O)[C@H]2O[Si](C(C)C)(C(C)C)O1 216002695 JDHALGDQTSSCHS-APWZRJJASA-N 483.714 3.865 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)NCCCCCI 229236348 XWDIZCVRJNZLDO-UHFFFAOYSA-N 452.177 3.703 50 10 JHGE Cc1cc(CCl)cnc1-n1cnc(I)c1I 380890957 NVEVECFIWYJRAC-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NNc2ccccc2C(F)(F)F)cc1 920850762 FQAYLRXAQKDNRQ-FOWTUZBSSA-N 498.465 3.503 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084186194 XQAVTFBGWAJCSY-UHFFFAOYSA-N 486.937 3.902 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(F)cc1Br 1191386753 MJQGDZPJAZFPGB-UHFFFAOYSA-N 489.454 3.773 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3ccc(Cl)cc3)cc2)cc1 1641403480 HJVPCTORXRAIIH-UHFFFAOYSA-N 457.939 3.778 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H](Br)[C@H](F)C1 2026222348 XGNGZCQVNRZUDO-DTWKUNHWSA-N 476.909 3.611 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H]2COC[C@@H](C1)C2Br 2111477843 JDJBBDOFUJKFCA-UZRSXYIYSA-N 474.012 3.755 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1cc(Br)sc1Br 2122372265 ZFDFUJJNKXHXKT-YUMQZZPRSA-N 475.044 3.813 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146693179 MFZFAKRTDZJTAA-TVYUQYBPSA-N 467.983 3.979 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(CBr)cc2)C1 2162603505 XPALFSWAEQRXOS-GDBMZVCRSA-N 461.422 3.943 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H]1CCNC(=O)OC(C)(C)C 2163053450 NOWVTXJDYSEEEZ-HOCLYGCPSA-N 461.422 3.753 50 10 JHGE CS(=O)(=O)C1([C@H](Br)c2cc(I)cc3c2OCC3)CCC1 2166699915 SOCUEEZIJQYGOI-CYBMUJFWSA-N 471.154 3.629 50 10 JHGE CCCN1CC[C@H]([C@@H](Br)c2cc(I)ccc2F)S1(=O)=O 2169658276 FMOCJPIMKYDFLS-OLZOCXBDSA-N 476.149 3.680 50 10 JHGE O=C(c1cc(I)sn1)N1Cc2ccccc2[C@@H](CBr)C1 2176534232 ICUIHVAVZRDKLN-JTQLQIEISA-N 463.138 3.882 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1F)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179781193 VXFOETFLOGDZSY-HDICACEKSA-N 453.377 3.758 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NCCCCCI)CC1 2214705653 VGVDESOJYYBVRR-XMMPIXPASA-N 473.421 3.547 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@H]2CCCC[C@@]2(CBr)C1 2230586426 IDVPGAZZRRPHJI-NOZJJQNGSA-N 455.159 3.775 50 10 JHGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2ccc(Cl)c(I)c2)C1 2268354489 BZYQJSCQNJDOLB-FJJSUARNSA-N 476.476 3.813 50 10 JHGE Cc1cc(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2269550806 SWHGLXTZBKPSOK-AREMUKBSSA-N 486.377 3.567 50 10 JHGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1ccc(Cl)c(I)c1 2283665021 SMTAHCPENVLYGY-MWLCHTKSSA-N 472.548 3.959 50 10 JHGE Clc1ccc(CN2C[C@H]3CCO[C@@]3(CBr)C2)c(I)c1 2341033076 SBZYCYOTWVMXGJ-RISCZKNCSA-N 456.549 3.930 50 10 JHGE CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 10291495 KTLDMBIFKUYRCG-LBPRGKRZSA-N 468.291 3.552 50 10 JHGE Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)COc1cc(C)c(Cl)c(C)c1 13979695 GWNBZVXVTLLVAQ-UHFFFAOYSA-N 450.720 3.879 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N(CCBr)C1CC1 124506397 ZZJMPLKVDBQMLE-UHFFFAOYSA-N 462.001 3.760 50 10 JHGE O=C(NN=C/C=C\c1ccccc1[N+](=O)[O-])/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254371657 UEHWUFVKUCOXQV-BCJGAZJKSA-N 484.468 3.910 50 10 JHGE Cn1cc(C=NNC(=O)c2cc3n(n2)[C@H](C(F)(F)C(F)(F)F)C[C@H](c2ccc(F)cc2)N3)cn1 254507088 XAFFDTKFPBFLRM-ZBFHGGJFSA-N 485.392 3.815 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)Cc2ccccc2Cl)cc1 920848483 DQJBOLVHFICYEH-UYRXBGFRSA-N 477.952 3.653 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCC#N)cc1 1083990400 SAIMRJISBGMPNZ-IBGZPJMESA-N 460.328 3.714 50 10 JHGE COc1ccc(C(C)=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084622711 JETMCQGHXQBYHW-UHFFFAOYSA-N 499.564 3.887 50 10 JHGE Cc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)C(C)C)cc1 1087354903 PGFOPSWDTUIMLI-LJQANCHMSA-N 450.564 3.643 50 10 JHGE CC(=O)N(C)c1ccc(NC(=O)NNc2c(Br)cccc2Br)cn1 1219205478 BZPFIPBVHLMFJL-UHFFFAOYSA-N 457.126 3.738 50 10 JHGE O=C1[C@@H]2[C@@H](C(=O)N1CC#CCCl)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 1614664935 BFUUQTVOSRVARH-KUGABMNMSA-N 456.367 3.675 50 10 JHGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)CI 1865947894 YMVLATVORVRIKM-UHFFFAOYSA-N 460.249 3.874 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC[C@@H](I)C1 1994514569 CTUKKDSSDCBIHK-MRVPVSSYSA-N 461.468 3.594 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1ccc(F)cc1Br 2136495512 ARZOZSWHMZNJGR-KWQFWETISA-N 464.138 3.716 50 10 JHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCCl)C1CCCCC1 2164494487 VVHXUHBAGNOQNJ-WIYYLYMNSA-N 458.983 3.508 50 10 JHGE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1ccc(C(=O)NN)cc1Br 2288742791 YVVUATAKGJNWBM-LRDDRELGSA-N 458.422 3.931 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCSC[C@@H]1CBr 2317776012 SFTCRFUQKOAAFF-VIFPVBQESA-N 460.562 3.897 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@@H](CCBr)C1 2338859652 HMHWVLFHNYGXKL-QMMMGPOBSA-N 457.992 3.582 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC2(CC1)C[C@@H]2CBr 2364019176 SVPZZVSCRMJRMS-MRVPVSSYSA-N 470.003 3.582 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NN=C2C(=O)Nc3ccc(C)c(Br)c32)cc1C 12581261 YPXFGYZECOPLAS-UHFFFAOYSA-N 457.328 3.566 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1C 14655026 QNDALCQXXOWBOZ-UHFFFAOYSA-N 486.160 3.759 50 10 JHGE CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl 25257135 QVYAKTNUBRZWKD-QGZVFWFLSA-N 455.317 3.562 50 10 JHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Cl)c1nc3cc([N+](=O)[O-])ccc3nc12 33770070 GZZRQHSFAXAXKK-RPWUZVMVSA-N 479.924 3.982 50 10 JHGE COc1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)C(=O)NNC(=O)c2ccccc2)cc1 38205834 QHILWGXELVCYTP-QNGOZBTKSA-N 494.345 3.690 50 10 JHGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1cccnc1 40607346 CDMVNHBQHZFBJJ-UHFFFAOYSA-N 455.478 3.744 50 10 JHGE CN(C)c1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 254685818 OYJBPVPTROXGMU-RRHNVJNFSA-N 455.562 3.740 50 10 JHGE FC(F)(F)Oc1nc(I)cc(CCl)c1I 396178143 HUWFREALBQULIK-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE CC(C)(C)[Si](OCC1=C[C@@](C)(F)[C@H](n2ccc(O)nc2=O)O1)(c1ccccc1)c1ccccc1 503898160 JZENSSPQZVNWOJ-ZEQKJWHPSA-N 480.612 3.666 50 10 JHGE O=C(NC[C@@]1(CBr)CCCOC1)c1ccc(I)c(Cl)c1 700914788 ZSOWJGURWZETKC-AWEZNQCLSA-N 472.548 3.866 50 10 JHGE Cc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 725395130 ZOXMZNGGQXHCSU-UHFFFAOYSA-N 464.909 3.755 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(-c2ccccc2)n1 914465674 GHHOKZVZMQKVCZ-XSFVSMFZSA-N 475.516 3.998 50 10 JHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl 1083900265 FNDOXRHGAGBBQG-UHFFFAOYSA-N 466.365 3.753 50 10 JHGE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccc(CBr)cc1 1260505820 QZFDJVYQYQZTPN-HOCLYGCPSA-N 461.422 3.895 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1F 1624099111 ZOPNWMRKBLKKDJ-UHFFFAOYSA-N 453.706 3.906 50 10 JHGE COc1ccc([N+](=O)[O-])c(C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 1860823233 ZCRALQPZIBIGRM-DAFNUICNSA-N 464.865 3.938 50 10 JHGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865715128 WVJQMLCXSDTZRB-NRFANRHFSA-N 464.497 3.964 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 1866125392 CKQCFVLVCPPHNB-MKWGYRPRSA-N 498.535 3.964 50 10 JHGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872747267 VLUBSADAVKSFAV-VKAVYKQESA-N 462.443 3.816 50 10 JHGE COc1cc(Br)c(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1OC 2040448276 JZJMQSBBMHSDSU-UHFFFAOYSA-N 496.365 3.948 50 10 JHGE Cc1ccc(Br)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)n1 2061268536 VILFXPWXILXXNU-UHFFFAOYSA-N 450.424 3.788 50 10 JHGE O=C(NC[C@@]1(CBr)CCCO1)c1cc(Br)c(Br)s1 2073634094 VVKGYSHWRNBHTC-NSHDSACASA-N 462.001 3.947 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2162589469 QOSDPOBCUWWYFR-OAHLLOKOSA-N 461.422 3.895 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185292695 JLNTZACJHCQWSI-OXHMUOHRSA-N 470.532 3.712 50 10 JHGE CC1(C[S@](C)(=O)=NCCCCCI)CN(C(=O)OC(C)(C)C)C1 2211185075 OTQCFOBKRPMLPP-QHCPKHFHSA-N 458.406 3.947 50 10 JHGE O=S(=O)(CC1(CBr)CC1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 2290076990 IWFYZBZGCRLMAW-UHFFFAOYSA-N 455.462 3.870 50 10 JHGE COc1cccc(CCNC=C(C#N)C(=O)Nc2ccc(I)cc2C)c1 2325411893 JJQWHENZJZNDTQ-UHFFFAOYSA-N 461.303 3.787 50 10 JHGE Cn1nc(Br)c(Br)c1CNC(=O)[C@@H](Br)C1CCCC1 2339065885 ZLXNNYAWBNTJMF-VIFPVBQESA-N 457.992 3.515 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCC[C@@]2(CBr)C1 2364202686 VQQVTIKXBWPLBN-HTAPYJJXSA-N 497.455 3.670 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370333022 RBVHXTNTQHANLG-YHUYYLMFSA-N 465.369 3.867 50 10 JHGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623282 ZDCJEVWQDFDEPV-UKILVPOCSA-N 471.557 3.707 50 10 JHGE N#C/C(=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 33767311 OWYOCJMXHPEVHQ-MNDPQUGUSA-N 454.461 3.892 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658146 UNDGBGYVCBAYQX-UHFFFAOYSA-N 463.332 3.812 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1C 96447620 JMQQVYDSLNKPIQ-VUQQOUJSSA-N 480.590 3.898 50 10 JHGE Cc1cc(Br)c(OCC(=O)NN=Cc2ccc3c(c2)OCO3)c(Br)c1 252639553 YLQOEYUUZYLCMB-UHFFFAOYSA-N 470.117 3.778 50 10 JHGE COC(=O)NN=C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C#N)c1ccc(CC#N)cc1 254310756 VYPZXJBFPDJLPG-HXUWFJFHSA-N 462.466 3.789 50 10 JHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1 254617451 SOYFJZQXAFVLTJ-UHFFFAOYSA-N 496.545 3.648 50 10 JHGE O=C1[C@@H](Br)CCCN1c1ccc(I)c(Br)c1 300923289 ZTOGNVFPNWFOSQ-QMMMGPOBSA-N 458.919 3.944 50 10 JHGE C[C@@H]1CCC[C@@](CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703967699 RIBBZFRKHWBPQL-QVKFZJNVSA-N 485.444 3.572 50 10 JHGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 1083960321 RRBUFMSRSSVARZ-UHFFFAOYSA-N 451.548 3.658 50 10 JHGE COc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)c(OC)c1 1084241870 SJFBBDYUCIQWQI-UHFFFAOYSA-N 472.133 3.758 50 10 JHGE CC(=O)N1C[C@H](c2cc(Cl)ccc2I)[C@@H](CI)C1 1614643209 QEMRKURMNNQDSE-CABZTGNLSA-N 489.522 3.942 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 1671099720 XNYUMVSXPRAURF-CQSZACIVSA-N 456.499 3.696 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H](Br)[C@H](Br)C1 2019457416 NFTPGHVWYGMSLP-SYDPRGILSA-N 488.448 3.695 50 10 JHGE Brc1cnc(N2C[C@@H](Br)C3(CCOCC3)C2)c(Br)c1 2117744691 CDISJHYZRUEQDJ-LLVKDONJSA-N 454.988 3.987 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179815665 FYERGJAIBUGVBV-HXUWFJFHSA-N 453.402 3.770 50 10 JHGE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1csc(N(C)C[C@H]2C[C@@H]2Br)n1 2198791032 ZSJJUEDDBWLGTB-AGIUHOORSA-N 462.410 3.882 50 10 JHGE CO[C@H]1[C@@H](CBr)N(Cc2cccc(Br)c2Br)C[C@H]1OC 2233354548 PGGZZLLZUUCRSD-BZPMIXESSA-N 472.015 3.821 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H]2OCC[C@@]2(CBr)C1 2278886566 GFWAYLDHFJLSFF-PRHODGIISA-N 474.012 3.899 50 10 JHGE O=C(NCCSCCBr)c1ccc(Br)cc1I 2299179047 GFDQDHXTIWYEQR-UHFFFAOYSA-N 493.002 3.912 50 10 JHGE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2323135041 APMLQRUEZPRMTR-VFNWGFHPSA-N 493.692 3.582 50 10 JHGE CC(C)Oc1cccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 2325885130 CGEMXXMQXPLQDU-INIZCTEOSA-N 480.590 3.546 50 10 JHGE CC1(CBr)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2338843012 OUACJFSHTLSXGC-UHFFFAOYSA-N 485.444 3.670 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CC2(CC[C@@H](CBr)O2)C1 2361998052 YWUAEOLGQOTNIF-VIFPVBQESA-N 467.983 3.980 50 10 JHGE CCC[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CCl 2364208852 MOZIUEZXHDJALH-ROUUACIJSA-N 455.020 3.760 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@]12CCC[C@]1(CCl)C2 2364209029 ODBOUJPWYWBNBX-YADHBBJMSA-N 453.004 3.562 50 10 JHGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O 1064047 BJVLGEXTUSMXMA-ZDUSSCGKSA-N 481.302 3.937 50 10 JHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1Br 10505981 VNKHASHEUCEOJX-UHFFFAOYSA-N 477.167 3.714 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1 14661716 CRNCSIOTCXZIKG-UHFFFAOYSA-N 457.527 3.795 50 10 JHGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)/C=C/c2cc(Br)ccc2F)cc1 15354871 USGSIMGUDJCKOB-RVFSUOIPSA-N 451.292 3.615 50 10 JHGE CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1ccc(S(N)(=O)=O)cc1 20568335 UFJUHOIQLRUNQO-OAQYLSRUSA-N 482.993 3.928 50 10 JHGE O=C(Cc1ccccc1)NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 40659463 RUZCSRYBTYDKLR-UHFFFAOYSA-N 467.795 3.881 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 41011876 RIGZXJVEBUZVBM-MHWRWJLKSA-N 461.301 3.987 50 10 JHGE COc1cc(C(=O)N/N=C2\C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc(OC)c1OC 59146627 KRFGZTGYNQDNTO-DXALOURLSA-N 471.513 3.907 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1cc(Br)cc(Br)c1 235615569 BWGNVCUUMBXXQR-UFBFGSQYSA-N 455.972 3.836 50 10 JHGE Cc1cccc(C(=O)NCCCCCI)c1I 235785083 PGGKOOGRTLECQN-UHFFFAOYSA-N 457.093 3.935 50 10 JHGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccccc1OCC(=O)Nc1c(C)cc(C)cc1C 252589361 AJRIKYGJYUYPTH-UHFFFAOYSA-N 488.544 3.727 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 730517073 QYZISHWSNBNIJP-SFHVURJKSA-N 491.375 3.957 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)N1CCc2ccccc2C1 761396245 DNLXEQVGYXHJEV-WEKPXBEKSA-N 479.540 3.887 50 10 JHGE Cc1ccc(CNC(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 761396666 HWQPMSRAAGISPC-HMAPJEAMSA-N 453.502 3.539 50 10 JHGE O=C(Cn1nnc2ccccc21)NN=Cc1cc(Br)ccc1OC(=O)/C=C\c1ccco1 1084313423 MBOJJIZJMUIDIL-HRNMCVMOSA-N 494.305 3.556 50 10 JHGE CC(/C=C\c1ccccc1)=NNC(=O)CSc1nnc(-c2ccccc2Br)n1N 1084340972 AHLWZUCQMQYRRT-OTCIXKFVSA-N 471.384 3.719 50 10 JHGE C=C(C)CN1CCC(NC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 1563953416 LROORRZJQQPXIQ-UHFFFAOYSA-N 458.566 3.524 50 10 JHGE CCOc1cc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc(Br)c1O 1873794949 KRWGMTAAFOHJEP-FVUPAENESA-N 490.420 3.650 50 10 JHGE CC1(C)CC[C@@H](Br)[C@@H](CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1927094237 MIJOYMHSZIEPCA-CRAIPNDOSA-N 499.471 3.818 50 10 JHGE CC(C)(C)C[C@H](CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2100101356 GGUSEAZNUCBFKY-OAHLLOKOSA-N 487.460 3.676 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179818827 DSVZRLFGOQSIIJ-QZTJIDSGSA-N 469.470 3.828 50 10 JHGE C[C@@H]1C[C@@H](C(F)(F)F)N(CCOCCI)CCN1C(=O)OC(C)(C)C 2326642819 ULZIIAMALMKPOY-OLZOCXBDSA-N 480.309 3.700 50 10 JHGE C[C@H](Br)CN1CCN(Cc2ccc(Cl)c(I)c2)CC1 2337227723 OGWSCFMXNRQNAA-NSHDSACASA-N 457.581 3.846 50 10 JHGE C[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338844179 ZBNWJGXXEFIEEW-LPHOPBHVSA-N 485.444 3.811 50 10 JHGE 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)CSCCN=C=S 13649960 WTZZZLTVUGGSLC-DCWIGXARSA-N 493.666 3.739 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1Br 13982210 SKQPRPMQARUVBM-UHFFFAOYSA-N 482.334 3.850 50 10 JHGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1 14668024 SPEYPIJQJJWSSK-UHFFFAOYSA-N 486.160 3.839 50 10 JHGE O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NNC(=O)c1n[nH]c2ccccc12 15474521 XKOAUIWTUCGGJZ-UHFFFAOYSA-N 474.908 3.606 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)cc(OC)c2OC)cc1 58894572 UOUSWVNWGWHGJF-XNQWGTPPSA-N 465.344 3.829 50 10 JHGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c1C#N 252620799 MMINSLKCRLIUGO-UHFFFAOYSA-N 459.550 3.962 50 10 JHGE CCN(CC)CN1C(=O)C(=NNC(=O)COc2ccc(Cl)cc2)c2cc(Br)ccc21 254495240 LIOZKMCIKRNXGO-UHFFFAOYSA-N 493.789 3.648 50 10 JHGE Nc1ccc(O)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382740086 ZAYCZQAIGYKEHQ-PBHICJAKSA-N 452.292 3.762 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)Cn2cnc3cc(C)c(C)cc32)cc1 1083847856 QULGHLNWVLYFNR-UHFFFAOYSA-N 476.558 3.880 50 10 JHGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCC)c(OC)c2)cc1 1083994115 LVGSLEFHBUFJSZ-UHFFFAOYSA-N 468.291 3.861 50 10 JHGE O=C(NN=Cc1coc2ccc(Cl)cc2c1=O)c1ccccc1I 1084429427 KMUUNKGBCRIZQP-UHFFFAOYSA-N 452.635 3.815 50 10 JHGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4)c(C)c32)c1 1772750157 VRVNCDMFSWRXKX-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE Cc1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858959396 QUQPWFHJHFYJET-OVCLIPMQSA-N 495.513 3.710 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 1860774426 WJYZEKBADBJUKW-JJKDVNPGSA-N 473.942 3.856 50 10 JHGE O=C(NC[C@H]1C[C@@H]1CBr)c1ccc(I)c(Br)c1 2005981379 FXQYPJVKTOWXSI-RKDXNWHRSA-N 472.946 3.815 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[C@H]1Br 2076191410 NRQKOAUCXMAJOA-NWANDNLSSA-N 476.209 3.785 50 10 JHGE Cc1cccc(C(=O)N2C[C@@H](C)O[C@H](CCBr)C2)c1I 2179377563 XJPBXERGNWXDMD-VXGBXAGGSA-N 452.130 3.614 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(CCCCI)C2(CCOCC2)C1 2248242068 SBVWQXFTWLXQEE-HNNXBMFYSA-N 452.377 3.597 50 10 JHGE O=S1(=O)CC[C@@H]([C@H](Br)Cc2cc(Br)cc(Br)c2)C1 2263515089 KOKXGMWKZJZUNA-BXKDBHETSA-N 461.013 3.952 50 10 JHGE C=CC[C@]1(CCl)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2287760154 IQBLSUBWPQOEBK-JOCHJYFZSA-N 453.004 3.680 50 10 JHGE Cc1nn([C@H]2CCS(=O)(=O)C2)c2ncc(C=C(C#N)C(=O)Nc3cccc4ccccc34)cc12 2297444465 PGSMKOHLTWJLDS-FQEVSTJZSA-N 471.542 3.798 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)c1cc(CBr)ccn1 2338948768 YFXSTSAKDAZYOL-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE CN1CCC(CBr)(NC(=O)c2ccc(Cl)cc2I)CC1 2380718536 RWYXULBTEFXPHT-UHFFFAOYSA-N 471.564 3.534 50 10 JHGE CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c(SC#N)c1C 9505976 QTAGZGMYUIJXPP-LBPRGKRZSA-N 485.634 3.660 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C(C)(C)C)c1 13623261 YISVYFCSKQNHSJ-HXUWFJFHSA-N 479.621 3.857 50 10 JHGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 14768640 QVWFNESNKUZNQP-OAQYLSRUSA-N 464.518 3.998 50 10 JHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccncc1)CCC2 40813939 KQOFIDWQXOVFQE-OVVQPSECSA-N 460.490 3.517 50 10 JHGE CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CN(C(=O)NC[C@H]1CCC[C@@H](CN=C=O)C1)CC2 170288935 WVLFJVDPKZQLDX-UXHICEINSA-N 479.581 3.567 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1 254557428 XMMNZGGSBLPHQS-UHFFFAOYSA-N 453.520 3.577 50 10 JHGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c(O)c2)cc1 254730600 VLJOWOAPRMEBMF-IXKTZPFVSA-N 459.502 3.808 50 10 JHGE CC(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)CC12CCCCC2 1153568232 FEHPYOUVOAHKGW-GBQPJDALSA-N 452.599 3.585 50 10 JHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Cl)cc(Br)c1O 1772719692 MRALRKNXCMSPIK-UHFFFAOYSA-N 482.762 3.867 50 10 JHGE CSCC[C@@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867158442 FKIKJZYTDPNMCT-QGZVFWFLSA-N 452.565 3.535 50 10 JHGE CCOc1c(Br)cc(Cl)cc1NS(=O)(=O)CI 2007716791 OOFSOBLRTMRKHF-UHFFFAOYSA-N 454.511 3.635 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)c2scc(Br)c2Br)CCO1 2053846874 VVDGWPHKWDORQM-POYBYMJQSA-N 462.001 3.898 50 10 JHGE O=S(=O)(NC[C@@H]1C[C@H]1CBr)c1cc(Br)ccc1Br 2053965555 HTDNWVJJXIPDCZ-YUMQZZPRSA-N 462.001 3.521 50 10 JHGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1cccc(Br)c1Br 2101335089 QZZVYJMDNGXWTE-IUCAKERBSA-N 455.972 3.741 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCCC[C@@H](Br)C1 2107490567 VQLRQAMBXINBMV-DLBZAZTESA-N 485.444 3.716 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2167011915 TZFAIHJGULIVTN-MDZRGWNJSA-N 497.455 3.667 50 10 JHGE O=C([C@H](Br)C1CCCC1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2167034338 RMKYCRMKNGTYGH-GMTAPVOTSA-N 453.221 3.541 50 10 JHGE COc1cc(F)c([C@H](Br)c2nn(C)nc2Br)cc1Br 2226973553 ZZYBZTWCDGQSQJ-VIFPVBQESA-N 457.923 3.972 50 10 JHGE Cn1ncc(-n2c(CCl)nc3ccc(Br)cc32)c1I 2265313467 IDYVSEQFQJVYKV-UHFFFAOYSA-N 451.493 3.865 50 10 JHGE CCN1CC[C@H]([C@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2268284948 YNEYEENUVMNCLX-VXGBXAGGSA-N 478.577 3.805 50 10 JHGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2293038654 RHBXVOBDDBAZEJ-QGZVFWFLSA-N 460.328 3.760 50 10 JHGE O=S1(=O)C[C@H]2C([C@@H](Br)c3sc(Cl)cc3I)[C@@H]2C1 2301081276 MZCYXQRSDBOBPK-UDJQAZALSA-N 467.575 3.733 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(Br)s1 2314941968 DYJLBYSOZIKCEK-UHFFFAOYSA-N 460.028 3.946 50 10 JHGE Clc1ccc(CN2C[C@H]3COC[C@@H](C2)[C@@H]3Br)c(I)c1 2341011227 LRNTXQYINCEMAF-YABSGUDNSA-N 456.549 3.786 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc(C)c1Cl 14016739 GJAMLIUTKNHDNH-UHFFFAOYSA-N 460.958 3.829 50 10 JHGE CCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1 14029467 GATRWHWDHLYIIZ-UHFFFAOYSA-N 452.292 3.935 50 10 JHGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 40844451 PFMTWQKSNZRICK-UHFFFAOYSA-N 457.527 3.914 50 10 JHGE Cc1cc(C)c(OCC(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)c(C)c1 59147500 BOYAOOAABSYISO-GNVQSUKOSA-N 457.530 3.937 50 10 JHGE CC(=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 252638772 YGLQGJFQKZKIHU-UHFFFAOYSA-N 486.937 3.984 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)[C@@H](Br)C2)cc1Br 387606411 XFPUVZAHGLLHAS-KCJUWKMLSA-N 476.028 3.924 50 10 JHGE COC[C@@](C)(CBr)N(C)C(=O)c1ccc(I)c(Cl)c1 689312011 HURRLDQXAARVNX-CYBMUJFWSA-N 460.537 3.817 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1 1084305901 ROOBFFZXHBZQJL-CXUHLZMHSA-N 462.287 3.874 50 10 JHGE CCOc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Br)cc2)cc1 1084379353 MQVYJGYBBRQLGJ-LJQANCHMSA-N 473.396 3.791 50 10 JHGE C[C@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(c1)N(C)C(=O)CO2 1858693337 HLUMCTLSRCCGFN-AWEZNQCLSA-N 492.444 3.606 50 10 JHGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712132 QBOFXJAYBATCHC-FQEVSTJZSA-N 465.853 3.732 50 10 JHGE CCN1C(=O)COc2ccc(/C(C)=N\NC(=O)c3ccc(-c4ccc(OC)c(OC)c4)nc3C)cc21 1865763577 SAYBJWPIVUAVGC-MWLSYYOVSA-N 488.544 3.974 50 10 JHGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)c1 1872750935 VGFRXBBKDYFXAT-ZZEZOPTASA-N 471.560 3.907 50 10 JHGE CN(C)S(=O)(=O)C[C@H](Br)c1cc(Br)c(Br)s1 1936584159 STDUAWPWBZJJBF-LURJTMIESA-N 456.019 3.601 50 10 JHGE O=S(=O)(NCCCCCCI)c1cscc1Br 1940500356 PQVOZHCMBHFPAU-UHFFFAOYSA-N 452.177 3.784 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc(I)c1 2010829553 XRZZIHYVKDPTMK-UHFFFAOYSA-N 482.409 3.927 50 10 JHGE CCOC(=O)c1c(CBr)ccc(I)c1I 2055239762 OIRAMBYPQIEWOA-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC=C[C@@H](Br)C2)cc1Br 2108818304 YIXBTHFKNRHWST-SECBINFHSA-N 474.012 3.844 50 10 JHGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F 2123271129 PUHHKBDZWCFMTM-UHFFFAOYSA-N 454.312 3.648 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)N2CCC(Br)CC2)C[C@H]1C(F)(F)F 2163051911 XVJXDLHXQXCKNU-DGCLKSJQSA-N 458.319 3.601 50 10 JHGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1F 2179788347 BDQSKIGMDBKZLI-GOSISDBHSA-N 455.393 3.863 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179833760 WMXIHFLKTWVEFV-OALUTQOASA-N 453.402 3.850 50 10 JHGE CC(C)n1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H]2C)cc1CBr 2179858088 JSOKILMRYJOBSN-QGZVFWFLSA-N 454.434 3.859 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCSC[C@@H]1CBr 2256390372 OQFNHTCEELXEKH-VIFPVBQESA-N 460.562 3.897 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@]2(C[C@H](Br)CO2)C1 2283651796 MCUSMWJOGCAFHC-HZMBPMFUSA-N 470.532 3.713 50 10 JHGE O=C(NCCSCCBr)c1ccc(I)c(Br)c1 2299178282 YFRWNRFZXVDZKF-UHFFFAOYSA-N 493.002 3.912 50 10 JHGE COc1ccc(C=C(C#N)C(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 2329610725 CKQCFVLVCPPHNB-AREMUKBSSA-N 498.535 3.964 50 10 JHGE CC(C)COc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14035013 WWHHGEIKGVKSOW-UHFFFAOYSA-N 455.736 3.977 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823899 UDZJGQQDJJLGBK-NLRVBDNBSA-N 465.441 3.863 50 10 JHGE CC(CBr)(CBr)NC(=O)c1cccc(I)c1 129481809 XOCJHHDLHOUFNK-UHFFFAOYSA-N 460.935 3.570 50 10 JHGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NNC(=O)c2cccs2)cc1 205964413 JRJGQIJRNPWUJG-XSFVSMFZSA-N 477.502 3.624 50 10 JHGE Cc1cc(=O)oc2cc(OCC(=O)Oc3ccc(/C=C(/C#N)C(=O)NCc4ccco4)cc3)ccc12 206728772 WWPQDJGBOCWTIG-UNOMPAQXSA-N 484.464 3.902 50 10 JHGE COC(=O)[C@@H](CCI)NC(=O)OCC1c2ccccc2-c2ccccc21 230828443 RAPINIFWJKOFMR-GOSISDBHSA-N 465.287 3.892 50 10 JHGE N#CSc1ccc(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 243697746 PKTXZZVNVTXBMV-UHFFFAOYSA-N 452.945 3.578 50 10 JHGE O=C(O)c1cc(C(=O)O)cc(-c2ccc(C=NNC(=O)c3ccc(Br)cc3)o2)c1 254404991 BHNMGIKWNIEYML-UHFFFAOYSA-N 457.236 3.869 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H]2CC[C@H]1CC(CBr)C2 719299092 JSQBKFMANDGNGM-RYUDHWBXSA-N 450.114 3.775 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)O[C@@H](C)c2ccc(F)c(F)c2)cc1 918948946 FSDGLIDRYXYOHK-LZNAANCOSA-N 480.471 3.924 50 10 JHGE CC(=O)CCc1ccc(OCCC(=O)NNc2ccccc2I)cc1 1589723647 FEYVECDVFRPQMM-UHFFFAOYSA-N 452.292 3.725 50 10 JHGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(F)cc2)cs1 1872753027 DOXXLUYDBDKUSS-VLGSPTGOSA-N 450.407 3.946 50 10 JHGE C[C@H](Br)[C@@H]1C[C@@H]1NC(=O)c1ccc(Br)cc1I 2026219717 XTAGXZDBIKIPHO-IHBFAXJASA-N 472.946 3.955 50 10 JHGE CCN1CCC[C@@H]([C@H](Br)c2csc(I)c2)S1(=O)=O 2029069265 QIABCACGKKIHAG-GXSJLCMTSA-N 464.188 3.603 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2C[C@]2(CBr)C1 2029658190 WISPMMWHSNNEKG-SDBXPKJASA-N 484.957 3.911 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)c1cc(Br)sc1Br 2049905023 AIIGWDLEWWMVEJ-NSHDSACASA-N 462.001 3.899 50 10 JHGE O=S(=O)(c1c(Cl)cccc1Br)N1C[C@H](Br)[C@@H](Br)C1 2075314244 UPBKVDVEKYYJCW-YUMQZZPRSA-N 482.419 3.634 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2cc(Br)sc2Br)C1 2077901552 ZAPLWBRRXUCPRT-JCJUMFQOSA-N 462.001 3.945 50 10 JHGE COC[C@@H](Br)CCNC(=O)c1ccc(Br)cc1I 2086147565 ONXPQOOGWISERL-VIFPVBQESA-N 490.961 3.584 50 10 JHGE CC(C)(C)C[C@@H](CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2100102476 PWGFQYKEAMAWSI-INIZCTEOSA-N 487.460 3.820 50 10 JHGE CC1(C)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2129312020 SFMSYWNKUMQBBB-GOSISDBHSA-N 485.444 3.668 50 10 JHGE O=C(c1cc(I)ccc1O)N1CCC([C@@H](F)CBr)CC1 2163246977 TUQQFFFRTCNUJI-LBPRGKRZSA-N 456.093 3.582 50 10 JHGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)N1CCCC[C@@H]1CBr 2179820369 XKSDUMOATFMAFH-GUDVDZBRSA-N 459.450 3.796 50 10 JHGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1ccc(I)c(Cl)c1 2185318360 KLWWGORELQPKKS-ONGXEEELSA-N 472.548 3.959 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](Cl)C[C@H]2C1 2204093447 JKYYMJGURHFFPZ-OKZBNKHCSA-N 453.004 3.512 50 10 JHGE C[C@H](Br)CN(CCC(C)(C)C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2272425944 MFVDFHILTUDLDM-INIZCTEOSA-N 487.460 3.914 50 10 JHGE Cc1cc(S(=O)(=O)NCC2(CBr)CC(F)(F)C2)sc1Br 2281650126 WWXLHTKZZMWLGM-UHFFFAOYSA-N 453.168 3.908 50 10 JHGE O=S(=O)(CC1(CBr)CC1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2290043098 MZOBXTAGELOGCB-OAQYLSRUSA-N 455.462 3.870 50 10 JHGE COC(=O)[C@H](CCBr)OCc1cc(I)ccc1Br 2318982065 IZKDOVXUGLSXIF-NSHDSACASA-N 491.945 3.897 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC[C@@H](NC(=O)OC(C)(C)C)C1 2322068822 LPJDGKHYPVIREI-VFNWGFHPSA-N 493.692 3.773 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 2327859458 IPWRZTHKCUODDR-QGZVFWFLSA-N 491.720 3.898 50 10 JHGE C=C[C@@]1(CBr)COCCN1C(=O)c1ccc(Cl)cc1I 2365586404 LUCRNORPBAAURS-CQSZACIVSA-N 470.532 3.737 50 10 JHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)c1 10277118 RYPSKUYWVSLJFL-UHFFFAOYSA-N 493.585 3.630 50 10 JHGE C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14026963 ZKPRHEMQUNJONT-SNVBAGLBSA-N 462.127 3.750 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 14654982 GVSYJQLIJIXNQL-UHFFFAOYSA-N 462.344 3.645 50 10 JHGE CCCCCn1nc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c2ccccc2c1=O 107918012 XPODCRNIHRGNCA-SJORKVTESA-N 452.477 3.716 50 10 JHGE CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CN(C(=O)NC[C@@H]1CCC[C@@H](CN=C=O)C1)CC2 170288933 WVLFJVDPKZQLDX-WOJBJXKFSA-N 479.581 3.567 50 10 JHGE CC[Si](CC)(CC)O[C@@H]1CO[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]1OC(C)=O 198044004 BFEHWXCZKFZQCB-NCYKPQTJSA-N 469.563 3.584 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 206430035 YRSMOGJSHLZZEB-ZDLGFXPLSA-N 461.430 3.947 50 10 JHGE CCOc1cc(/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCC(C)C 214430147 LRGZVWYLWCNVDA-NDENLUEZSA-N 454.523 3.666 50 10 JHGE CN(C)C[C@H](Br)CN(C)C(=O)c1scc(Br)c1Br 690298598 MDUQNSAFGDYFDY-ZETCQYMHSA-N 463.033 3.670 50 10 JHGE C[C@@H](CBr)[C@@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703964636 KRMWGRCICJCSIH-YJBOKZPZSA-N 485.444 3.524 50 10 JHGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc3ncccn3)c2C)cc1 788772859 BXBXITWMKHWTDN-HJHGFDQJSA-N 459.506 3.760 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCC(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)n1 918642595 HWZGNZYMNGUKAD-AQTBWJFISA-N 458.909 3.779 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccccc1Br 1257417947 VBKGCTJXZOYNND-UHFFFAOYSA-N 471.464 3.634 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc1 1671013023 LOKOGXFSKGTJCR-OAHLLOKOSA-N 453.524 3.645 50 10 JHGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1 1772754085 JYEPKEYXZNDQLS-UHFFFAOYSA-N 450.289 3.890 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc2c(c1)OCCO2 1865697749 ASXQKZGOJKPQHI-SFHVURJKSA-N 454.408 3.940 50 10 JHGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714377 IPKZJZSITCYSND-OAQYLSRUSA-N 464.497 3.964 50 10 JHGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O 1865759512 DQZKIPMKHYYWJN-UHFFFAOYSA-N 497.338 3.811 50 10 JHGE CC(C)(CI)CN=[S@](C)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1904650491 GRHPSTXEPLCNSK-HSZRJFAPSA-N 458.406 3.945 50 10 JHGE Cc1nc(I)c(I)n1Cc1nc(CCl)cs1 1936388613 OCXQUQPMNXBWRD-UHFFFAOYSA-N 479.512 3.644 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H]2C[C@@]1(CBr)CO2 2033610864 KCYFFLYVHQCYBG-KSBSHMNSSA-N 459.985 3.652 50 10 JHGE O=S(=O)(c1ccc(Br)cc1Cl)N1C[C@H](Br)[C@@H](Br)C1 2075313772 FTRVLXGEAAGJCH-YUMQZZPRSA-N 482.419 3.634 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](Br)C(F)(F)C1 2095742708 YKXFERLJADEPHE-SECBINFHSA-N 483.954 3.615 50 10 JHGE C[C@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)c1nnc(CBr)s1 2192613150 JXIPIWCILFOWMB-BYPYZUCNSA-N 481.644 3.950 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H]3C[C@H]2[C@@H]3CBr)cc1Br 2203020709 KCZLYRFCSRDHPH-LNLATYFQSA-N 488.039 3.924 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CCO[C@@]2(CBr)C1 2231354921 IHOVQWHRLXSIJD-MADCSZMMSA-N 474.012 3.899 50 10 JHGE N#CC(=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1cccc(Br)c1 2297551873 HCTNLLYHAAXXMG-OAQYLSRUSA-N 484.350 3.669 50 10 JHGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(CC)CC)c1 2314476557 QNKNLXAZZYJOPM-UHFFFAOYSA-N 477.590 3.613 50 10 JHGE CCCOc1c(OC)cc(C=NNC(=O)CSc2nc3ccccc3n2C)cc1[N+](=O)[O-] 2318413830 XEPBVVJPDVOEOG-UHFFFAOYSA-N 457.512 3.521 50 10 JHGE CC(C)C[C@@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338847663 OGKZTWINKVFCBN-KRWDZBQOSA-N 487.460 3.820 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC(=O)c1ccco1 3014109 JIVJOJOVWZSFLJ-HXUWFJFHSA-N 456.410 3.832 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 13619655 UAXJOZLVPKJPTJ-DYVFJYSZSA-N 453.322 3.780 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1 13621110 RGUMXQXUTYEFHL-OKACTXMXSA-N 455.580 3.713 50 10 JHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 14032401 XAPIYPGDPZEXCA-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE N#C/C(=C/c1ccc(OC(=O)c2ccco2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 34700739 LVJAICDFZOQTAI-JZJYNLBNSA-N 467.485 3.980 50 10 JHGE O=C(NN/C=C1/C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1cccnc1 38163653 OSBMYPMQIAMEEI-GHRIWEEISA-N 452.392 3.563 50 10 JHGE CCOc1cc(C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc(OCC)c1OCC 40883394 RXFRUYRPNVPDRL-LICLKQGHSA-N 454.479 3.503 50 10 JHGE CCOc1ccc(Cc2nn(CNNC(=O)c3cccc(Br)c3)c(=S)o2)cc1 48554674 XTASOMVTWOIHKT-UHFFFAOYSA-N 463.357 3.850 50 10 JHGE COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CCCl)CCCl)cc3)C2=O)cc1 103812922 QBASAQJWHMSYCA-RGEXLXHISA-N 462.333 3.646 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H](CCl)O1 235648159 CHDANYKNSRSMEU-WPRPVWTQSA-N 458.521 3.522 50 10 JHGE COc1ccc2ccccc2c1C=NNC(=O)COc1ccc(I)cc1 254579189 PTUJOUOCTFWQIQ-UHFFFAOYSA-N 460.271 3.982 50 10 JHGE C[C@@H](Br)C[C@@H]1CCCCCN1C(=O)c1cnn(C)c1I 393692987 HXVQOXVCEAJRCM-MNOVXSKESA-N 454.150 3.583 50 10 JHGE CO[C@]1(CCl)CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721612919 JQYVBBDLYFUDSP-AWEZNQCLSA-N 472.548 3.914 50 10 JHGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-] 1145048030 KJGOBDAIVMLXLO-BENRWUELSA-N 455.414 3.836 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@]2(NS(=O)(=O)c3ccc(CBr)cc3)CCC[C@H]12 1260510456 FYOCENXCJRNUFF-QFBILLFUSA-N 459.406 3.792 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cn(-c3ccc(Br)cc3)nc2C)c1 1644837938 GXQMGTHKGUPPPK-UHFFFAOYSA-N 454.353 3.556 50 10 JHGE C[C@@H](C(=O)NNC(=O)CCCc1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771699 FBKHJTKAMNIDPU-AWEZNQCLSA-N 472.998 3.722 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC[C@H](I)C1 1901577327 VMOVGIQMFAPUEV-QMMMGPOBSA-N 461.468 3.594 50 10 JHGE CC1(C)CC[C@@H](Br)[C@H](CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1927037471 ALDLUDJQGDBAAT-MAUKXSAKSA-N 485.444 3.572 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2106989200 QSQLPJJPXMAIPX-FPCVCCKLSA-N 456.324 3.569 50 10 JHGE O=C(c1c(Br)cccc1Br)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2150495496 NAOWIWDNVAWHJA-UWJYBYFXSA-N 467.983 3.979 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(c2ncc(C(F)(F)F)cc2I)C1 2165322047 IHMWVDBOOCMCFR-DTWKUNHWSA-N 465.051 3.694 50 10 JHGE CO[C@H]1C[C@H](Br)CN(c2ncc(C(F)(F)F)cc2I)C1 2165322048 IHMWVDBOOCMCFR-IUCAKERBSA-N 465.051 3.694 50 10 JHGE CC(C)(C)OC(=O)N1CC(OC2CCN(CCCCCI)CC2)C1 2214704722 ISZLQITXWYRRSK-UHFFFAOYSA-N 452.377 3.692 50 10 JHGE CN1CCC(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC1 2214841947 LCSSJWQWDYVWHE-UHFFFAOYSA-N 452.377 3.550 50 10 JHGE COc1cc(SC#N)ccc1NC(=O)NC=C1C(=O)N(Cc2ccccc2)C(=O)C(C#N)=C1C 2297534402 VQXJKDFICLTJKF-UHFFFAOYSA-N 473.514 3.683 50 10 JHGE C[C@@H](CCCCCI)NCc1ncc(I)cn1 2307620391 XLMJCTJBPYFSTE-JTQLQIEISA-N 459.113 3.555 50 10 JHGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 2313624758 BSYNSJOAQDVPEF-UHFFFAOYSA-N 488.569 3.605 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccs2)c(Br)c1 2313630130 MMRNPEBWMBGLKE-UHFFFAOYSA-N 496.452 3.922 50 10 JHGE C[P@@]1(=O)C[C@H](NC(=O)c2ccc(Cl)cc2I)[C@@H](Br)C1 2340051265 AHRNVMYZRMYOKZ-KKRWKGTOSA-N 476.476 3.813 50 10 JHGE N#Cc1ccc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)c(Cl)c1 2343415137 YFHHZOBGTVAXDP-MRXNPFEDSA-N 457.777 3.860 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@H]2C[C@H](Br)C2)C[C@@H](P(C)(C)=O)C1 2344197158 NGGZCVWYYNFDJQ-KBUPBQIOSA-N 451.342 3.524 50 10 JHGE Clc1ccc(I)cc1CN1C[C@H]2OCC[C@]2(CBr)C1 2352418335 UJCPXJMFWXGUQI-KGLIPLIRSA-N 456.549 3.930 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355687421 DTGQQOQTCKTTAK-XTWCZFFVSA-N 467.983 3.694 50 10 JHGE C[C@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCCl 2364212780 ALHYNGGZBITMFB-FXAWDEMLSA-N 455.020 3.902 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 12489404 MEGLWOROQBKRDS-UHFFFAOYSA-N 464.385 3.595 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1I 13978998 AXHDWMDAXQPZNJ-UHFFFAOYSA-N 495.386 3.846 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1 14021946 FVLNCVQNAADUGH-NTCAYCPXSA-N 491.569 3.521 50 10 JHGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOC)cc1 14660747 VWAHOMPUHRNUPQ-UHFFFAOYSA-N 473.595 3.620 50 10 JHGE O=C(NNC(=O)c1ccccc1Br)c1nc(-c2ccccc2)n(-c2ccccc2)n1 21899602 MNXJAJJEUWGCIT-UHFFFAOYSA-N 462.307 3.772 50 10 JHGE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccc(O)cc1 34990863 KHBSZCZPIOPQQS-LGMDPLHJSA-N 475.617 3.677 50 10 JHGE O=C(NNc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659399 KDNQLJVPKGCHCQ-UHFFFAOYSA-N 465.473 3.999 50 10 JHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)CC1 40813253 JOKSUYBNQYBVAE-NLRVBDNBSA-N 471.941 3.737 50 10 JHGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 40991215 YVGTWKIFPHQDEL-XDJHFCHBSA-N 489.528 3.500 50 10 JHGE CCOc1cc(/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214424541 YYCAGPBKPITYIG-MOSHPQCFSA-N 454.523 3.666 50 10 JHGE O=C(CSn1nnnc1-c1ccccc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 252635236 WVUKENZRSBIILR-UHFFFAOYSA-N 483.897 3.808 50 10 JHGE CN(C)S(=O)(=O)CCC(CBr)(CBr)c1cccc(Br)c1 312224171 BUOPBRGASZZGLN-UHFFFAOYSA-N 492.071 3.758 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCBr)CCCCC1 687286834 QJXHVFJHYXTURG-UHFFFAOYSA-N 485.444 3.716 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)O[C@@H](C(N)=O)c2ccccc2)c(-c2ccc(Cl)cc2)n1 821892331 ACMDZYFTKJWISK-MKRMIXIUSA-N 459.893 3.794 50 10 JHGE CCOC(=O)c1c(CBr)cnc(I)c1OC(F)(F)F 1848387737 RCKBMNUGBMGSJM-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE O=S(=O)(N[C@H]1C[C@@H]([C@H](F)CBr)C1)c1cc(Cl)c(Br)s1 1907313524 VYNSVNVPGXHDPC-GKROBHDKSA-N 455.596 3.954 50 10 JHGE CC[C@@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2036791130 PLRSNBBWGASEKX-QMMMGPOBSA-N 464.017 3.911 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(I)c(Cl)c2)C[C@@H]1Br 2130822128 LGPWVZJHPKNWSX-VDDIYKPWSA-N 458.521 3.615 50 10 JHGE C[C@@](CI)(OC[C@H]1COCCCO1)c1ccccc1Br 2154011988 AJSOLNSTFRKQDZ-DOMZBBRYSA-N 455.130 3.921 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H](CCCl)O1 2179378155 ZTTYLUWCCVXQGK-ONGXEEELSA-N 472.548 3.912 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NS(=O)(=O)c3ccc(CBr)cc3)C[C@@H]21 2202030876 MLEIPQUSPRGJLW-HDEZJCGLSA-N 459.406 3.552 50 10 JHGE CO[C@@H]1CN(Cc2ccc(Br)cc2Br)[C@H](CBr)[C@H]1OC 2233350354 BWKKZMXNTXZGHH-MGPQQGTHSA-N 472.015 3.821 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC2(CC1)C[C@H]2CCl 2364216237 ZDIVSHMWOLWNET-KRWDZBQOSA-N 453.004 3.514 50 10 JHGE C#CCOc1ccccc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 48573038 CFBFMGWZHKKOOD-PCLIKHOPSA-N 467.934 3.917 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](CCl)OC[C@H]2C)cc1Br 227404131 JQKUWFXKJRVUFY-NXEZZACHSA-N 461.603 3.537 50 10 JHGE O=C1[C@H](Br)CCCN1c1ccc(Br)c(I)c1 300897650 JCLHXTMTWLEYIT-SECBINFHSA-N 458.919 3.944 50 10 JHGE O=C(NN=Cc1c[nH]c2ccccc12)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082990311 HFSBQLILBAGQFR-GYIQKQDUSA-N 453.458 3.997 50 10 JHGE CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)c(C(=O)OCC)c1C 1866130497 YIRMSDCEAKHFQT-XNTDXEJSSA-N 472.519 3.973 50 10 JHGE O=C(NCc1nnc(CBr)s1)c1cc(Br)ccc1Br 1877559348 XXFQGDNAFAFVRK-UHFFFAOYSA-N 469.984 3.888 50 10 JHGE O=S1(=O)CC[C@H]([C@@H](Br)c2sc(Cl)cc2I)C1 1900921016 ZUKXACPQLXGTHD-YLWLKBPMSA-N 455.564 3.877 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](CBr)C1 2026218027 OKZFBZWOKMYMNV-QMMMGPOBSA-N 472.946 3.911 50 10 JHGE O=C(c1csc(Br)c1Br)N1CC(OCCCBr)C1 2085897412 KCAUFJLGZGCEHI-UHFFFAOYSA-N 462.001 3.899 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@@]2(CBr)C1 2090125547 WBVFDWDZYSJYBO-QPUJVOFHSA-N 474.012 3.617 50 10 JHGE CC1(C)C[C@H](CBr)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2115963672 DXCKNECWZLMMAJ-MRXNPFEDSA-N 485.444 3.526 50 10 JHGE C=C[C@]1(CCl)COCCN1C(=O)c1ccc(Br)cc1I 2207265872 XFGAMOQTVVCGTO-AWEZNQCLSA-N 470.532 3.690 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@@H](CBr)C[C@H]2CCOC2)c1 2240900383 CSBVZOSGJKXXJT-VXGBXAGGSA-N 452.130 3.520 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC[C@H](OCCCBr)C1 2283652033 OUQRLWSLGICGDH-NSHDSACASA-N 472.548 3.961 50 10 JHGE COC1(CBr)CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 2283666820 DXOGBFWPYQAIAF-UHFFFAOYSA-N 472.548 3.961 50 10 JHGE CCOC(=O)c1cnn(-c2ccc(C)cc2)c1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123928 OORKFSNJFOPPRL-UHFFFAOYSA-N 474.517 3.928 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2336331613 KEUOAUDQVUQQEM-VDTYLAMSSA-N 469.064 3.678 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CCl)CCC1CC2 2364216000 XXAVALWTNCWEPF-UHFFFAOYSA-N 453.004 3.656 50 10 JHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1 14029753 OPEKCLXJTSJZJJ-UHFFFAOYSA-N 470.595 3.944 50 10 JHGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 33569270 QAAGRQOOBKTKQV-SSZFMOIBSA-N 461.543 3.623 50 10 JHGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc([N+](=O)[O-])c1O 40951149 VLFVRKKIMZPTKX-SRZZPIQSSA-N 466.288 3.689 50 10 JHGE COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC 59148800 NFUHLIUPPWNRQK-BUVRLJJBSA-N 454.504 3.544 50 10 JHGE COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3ccccc32)cc1OC 135925948 BWCLAZDZPKTQIT-LVQIJYKZSA-N 499.571 3.764 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)C[C@H](CBr)O1 230052007 MCDDDLKIPJFIAF-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE CC(C)(C(=O)NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccccc1 731222332 QBYVVSVGGPCTFH-FQEVSTJZSA-N 454.958 3.806 50 10 JHGE CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 750551389 FMDWFCRPTVMRCK-DEOSSOPVSA-N 457.530 3.705 50 10 JHGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)CNc3ccc(C)cc3)c2)cc1 1160464248 GFQLEUYTJNSGLB-UHFFFAOYSA-N 459.546 3.969 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)cc1 1476142669 BMFJYVMRNPTCIM-MRXNPFEDSA-N 454.527 3.802 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)c1 1651317451 MQTOJEKAFLIUKX-RLLQIKCJSA-N 456.612 3.801 50 10 JHGE COCCCNC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749496 MBPFGDBACZKMNH-UHFFFAOYSA-N 482.364 3.897 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC=C[C@@H]1CBr 2007527372 USUMNOYKGMYNPG-SECBINFHSA-N 470.930 3.829 50 10 JHGE O=C(NNC=C1C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1cccnc1 2042453539 OSBMYPMQIAMEEI-UHFFFAOYSA-N 452.392 3.563 50 10 JHGE Cc1ccc(I)c(C(=O)CBr)c1I 2060168633 RJYXJLJFRJJHFY-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)C1 2115613289 ITUMNCNWJBYBQQ-WEKSKGKTSA-N 451.427 3.868 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2162592878 YOZYKCXJOXEEFZ-HNNXBMFYSA-N 459.406 3.649 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2167014392 ZZSNSQAOCFUWPB-MBOZVWFJSA-N 497.455 3.811 50 10 JHGE O=S(=O)(c1cc(F)ccc1CBr)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179793577 WDZPFVFLVKTXKB-LPHOPBHVSA-N 453.377 3.616 50 10 JHGE Cc1cc([C@H](Br)CS(=O)(=O)N2CCCCC2)ccc1I 2207103401 BHXTXJXTSYOEPL-CYBMUJFWSA-N 472.186 3.851 50 10 JHGE Cc1ccc(C(=O)NC[C@@]2(CBr)CCCOC2)cc1I 2232832892 IEHOCQQJPNOZAT-HNNXBMFYSA-N 452.130 3.521 50 10 JHGE CC1(C)CN(C(=O)c2cc(I)ccc2O)C[C@H]1CCBr 2238470216 KYNBUJYNGSGGPY-SNVBAGLBSA-N 452.130 3.880 50 10 JHGE COCCN(C[C@@H](C)Cl)C(=O)c1cc(Br)ccc1I 2272434621 VCMHOHUWZZOERA-SECBINFHSA-N 460.537 3.770 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1cc(Cl)ccc1Cl 2314795814 UBCIWLSHEDMUPX-UHFFFAOYSA-N 491.327 3.752 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@@H](CBr)CC1CC1 2338669367 CQHWCQWQYNWJGV-MRVPVSSYSA-N 457.992 3.581 50 10 JHGE C[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338842903 NSXUOXMFJUBKRG-SJORKVTESA-N 485.444 3.526 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](CCl)C12CCC2 2364218230 XSEZSRRLQCSAHI-KRWDZBQOSA-N 453.004 3.656 50 10 JHGE O=S(=O)(c1cscc1Br)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370246110 AUPOQDUWRZDYAI-MUWHJKNJSA-N 457.131 3.990 50 10 JHGE Oc1ncnc(N2CC[C@@H](C3CCC(Br)CC3)C2)c1I 2381256020 LSMQLBQLTCAOIB-HSOILSAZSA-N 452.134 3.567 50 10 JHGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 9695831 JGOGWDILRSBYOZ-UHFFFAOYSA-N 455.308 3.965 50 10 JHGE Cn1cc(C(=O)NNC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=S)[nH]c3c2)c2ccccc21 10736721 BXMUYRMCGPJPQM-UHFFFAOYSA-N 497.580 3.868 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)c1 12502652 FUNNZVDAPMCKCY-UHFFFAOYSA-N 465.575 3.751 50 10 JHGE COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2Br)c1C 22093090 HYCJQBMDNSSUJF-IQFISFIMSA-N 474.355 3.991 50 10 JHGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)c1 40795524 VFRPEHUOJRDCET-UHFFFAOYSA-N 491.335 3.808 50 10 JHGE Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814528 UUVCYXCFSBKGTP-QIRSZLOZSA-N 452.511 3.910 50 10 JHGE CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 48572971 YSLVFPGBQJCHQB-STBIYBPSSA-N 475.545 3.943 50 10 JHGE Cn1cc(CC(CBr)(CBr)c2ccccc2Br)nn1 236112995 PBGCOJZSAXYMRO-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE COCc1cc(C)n(CC(=O)NN=CCc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c(=O)c1C#N 254345661 JGTUISHGNNVLTB-UHFFFAOYSA-N 473.577 3.544 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCN2C[C@H](Br)C[C@H]2C1 405250385 COZNUHKULGCWKR-MNOVXSKESA-N 466.999 3.505 50 10 JHGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1ccc(N2CCCC2=O)cc1 1084475019 JURAYTCFZSOMGF-UHFFFAOYSA-N 481.144 3.808 50 10 JHGE C=CCn1c(SCC(=O)NNCC(F)(F)C(F)(F)F)nnc1-c1ccc(Cl)cc1 1635000743 NWEKCYCQRGKYGP-UHFFFAOYSA-N 455.840 3.695 50 10 JHGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1cccc([N+](=O)[O-])c1 1858683705 ACGVTNYKDISOOH-UHFFFAOYSA-N 453.367 3.526 50 10 JHGE COc1ccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c(Br)c1O 1873795449 JWZWJRYNNOMMBS-WSDLNYQXSA-N 458.353 3.699 50 10 JHGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1ccc(Br)cc1Br 1878684979 UAHAOFXFHKTHDA-PRHODGIISA-N 455.972 3.741 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@@H](I)C1 1994515617 LKGJADBTELXUEK-MRVPVSSYSA-N 461.468 3.594 50 10 JHGE C[C@@H](CBr)CNC(=O)c1ccc(Br)cc1I 1995286264 QWZUZJGYZPOZLE-ZETCQYMHSA-N 460.935 3.815 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2C[C@H](n3ccnc3)C2)C1 2063757098 ASQCSEKYOSHOAE-IIDMSEBBSA-N 461.344 3.808 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC[C@@H](CBr)C(C)(C)C)CC1 2107393912 SBGUYBOUKJTIGZ-PVPMGCCUSA-N 454.475 3.999 50 10 JHGE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162602402 OKVBMQRCHNKCFG-RDJZCZTQSA-N 461.422 3.895 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179825815 LPFWVCBPZXYTCM-VQTJNVASSA-N 455.462 3.868 50 10 JHGE C[C@@]1(CBr)CC(F)(F)CN1S(=O)(=O)Cc1ccsc1Br 2234500655 IFYQKBLOCFXNGA-JTQLQIEISA-N 453.168 3.835 50 10 JHGE O=C(N[C@@H](CBr)CC(F)(F)F)c1c(F)cccc1I 2267675129 XYKQHDHAWMQYKU-ZCFIWIBFSA-N 453.999 3.876 50 10 JHGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)cc2)C(C)=C(C#N)C1=O 2314619766 FBGBFWPSLUNZGI-UHFFFAOYSA-N 492.503 3.577 50 10 JHGE O=S(=O)(NCC(F)(F)CBr)c1cc(Br)ccc1Br 2314959716 DEGYREBMRAULIF-UHFFFAOYSA-N 471.943 3.520 50 10 JHGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C)cc2)sc(C(=O)OCCOC)c1C 2329632746 LLTWJXVTPHPVBD-UHFFFAOYSA-N 456.520 3.891 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C2(CC2)C1 2361483005 MIXMUROSDOBVNZ-HNNXBMFYSA-N 459.406 3.507 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](Br)[C@@H]1C(C)(C)C 2364030324 YVNYZJFXQPLULB-GMSGAONNSA-N 472.019 3.969 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CCC2)C[C@@H]1CCl 2364213873 JPKWVSWMVQIUIL-QGZVFWFLSA-N 453.004 3.656 50 10 JHGE O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)ccc1Cl 2369430914 KMLHOYZHDCVMTQ-CQSZACIVSA-N 477.764 3.897 50 10 JHGE CCCCC/C(C)=N/NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 20073143 XFDZCKWQJHQYEE-XAOCGEIJSA-N 485.497 3.622 50 10 JHGE COc1cc(OC)c(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1Br 20227953 ZHEARTOECTZNAL-SSDVNMTOSA-N 468.735 3.989 50 10 JHGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@@H]4CCCO4)c(=O)oc3c2)cc1 206544449 TWEAAMPTMUQRLQ-LPRAYXGFSA-N 488.496 3.613 50 10 JHGE C[C@@]1(C(=O)NN=Cc2cccn2-c2cccc([N+](=O)[O-])c2)CC1(Br)Br 252617694 KYMTXBCLZOOIOY-HNNXBMFYSA-N 470.121 3.732 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccccc3[N+](=O)[O-])cc2OC)cc1 254745442 UEWHLPFZDTZXPB-UHFFFAOYSA-N 493.472 3.750 50 10 JHGE C[C@H](Br)C(=O)c1cccc(I)c1I 307133688 XYJYTWSEULCUPB-YFKPBYRVSA-N 464.866 3.862 50 10 JHGE O=C(CCCc1ccc2c(c1)CC(=O)N2)NNC(=O)c1ccccc1OCc1ccc(F)cc1 729297251 DKMHVZLZHQCXMQ-UHFFFAOYSA-N 461.493 3.683 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 746181857 HNCFYPUAFWOJAY-UHFFFAOYSA-N 466.462 3.608 50 10 JHGE COc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761396060 BIWHBCVHKUGWKO-CTBJKRMSSA-N 469.501 3.950 50 10 JHGE CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 1084248825 QQTMHQREQIILJS-CPNJWEJPSA-N 483.952 3.546 50 10 JHGE Cc1c(C(=O)NCc2cccnc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748521 ZAALJZMSIYCFLK-UHFFFAOYSA-N 482.338 3.541 50 10 JHGE COc1ccc(-c2nc(CC(=O)N[C@H](C)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866673196 FIBWCLLVSHXEFU-CQSZACIVSA-N 450.520 3.918 50 10 JHGE CC[C@@](C)(NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866885844 RMTYKVLQTJGBIG-HXUWFJFHSA-N 465.984 3.610 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CCCl)COCc1ccccc1 1902961229 RELYHIZHSZUILT-HXUWFJFHSA-N 493.025 3.587 50 10 JHGE COC[C@](C)(CCl)CNC(=O)c1cc(Br)ccc1I 1926967390 PNOXVLABIRXDBG-CYBMUJFWSA-N 460.537 3.675 50 10 JHGE C[C@H]([C@@H](Br)c1c(Br)cccc1Br)S(=O)(=O)N(C)C 2033092680 CWVVTSKZXLAOHS-RDDDGLTNSA-N 464.017 3.928 50 10 JHGE C/C(=N/NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(-n2cccc2)cc1 2059028490 VLKSHPAZWFCKBJ-JLPGSUDCSA-N 465.560 3.889 50 10 JHGE O=C(c1cc(Br)ccc1I)N1[C@H](CCl)C[C@@H]2OCC[C@H]21 2146699850 RUQCANIGHGOBRP-BIMULSAOSA-N 470.532 3.665 50 10 JHGE CC1(C)C[C@@H](CBr)CN(C(=O)c2ccc(I)c(O)c2)C1 2172584661 FAKXYYUZOFULCR-JTQLQIEISA-N 452.130 3.880 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179825814 LPFWVCBPZXYTCM-UXHICEINSA-N 455.462 3.868 50 10 JHGE O=S(=O)(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1ccc(Br)s1 2192574589 CFPHBGJJNAJZAI-IMTBSYHQSA-N 457.131 3.752 50 10 JHGE Cn1nc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCC3)n1 2226986599 KADBVNVDYWHCGT-JTQLQIEISA-N 451.944 3.759 50 10 JHGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2256639307 COSMVNSYZZUNDZ-XMMPIXPASA-N 492.768 3.522 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268344197 ZJFXAVYATGDCGU-ZJUUUORDSA-N 458.521 3.569 50 10 JHGE O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295464505 WAIVZCWUTAAYIZ-UHFFFAOYSA-N 492.875 3.898 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1O 2313518755 RGQZEXJVAILHBG-UHFFFAOYSA-N 479.230 3.849 50 10 JHGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 2314777177 RRUHPWGNEQBARW-UHFFFAOYSA-N 452.423 3.854 50 10 JHGE CC1(C)[C@@H](Br)CC[C@@H]1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338833667 OXOJTSZRXLXIOL-ROUUACIJSA-N 485.444 3.715 50 10 JHGE COCCO[C@@H]1[C@@H](Cl)C[C@H]1OCc1ccc(I)c(Br)c1 2377593602 GQPIBTXZQFMTRM-IACUBPJLSA-N 475.548 3.982 50 10 JHGE O=C(N/N=C/c1cccc(Cl)c1)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 2101950 DQXWDPYRUBCXJN-FBCYGCLPSA-N 452.652 3.612 50 10 JHGE Cc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1I 12492953 QAXDERQPVQGJIK-UHFFFAOYSA-N 479.101 3.746 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)/C=C/c1ccc(F)cc1 13977229 BKIXZWGYILTRAR-VKJYCEFSSA-N 456.326 3.635 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(CC)cc2Br)cc1 13986855 QMBHQDYUQRCBPZ-UHFFFAOYSA-N 476.371 3.980 50 10 JHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 14032422 AXRHHISIJBZLSO-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE CCCc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 40569390 IYFYHSNFZHPHLO-PXNSSMCTSA-N 470.367 3.960 50 10 JHGE O=C(NN=Cc1ccc(O[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1)c1ccncc1 254405944 ZWKCSNUQAWFDRL-IBGZPJMESA-N 481.723 3.944 50 10 JHGE O=S(=O)(c1ccc(Br)cc1Cl)N1CCSC[C@@H]1CCBr 689308493 CNWJKQIWWWKEHL-JTQLQIEISA-N 463.644 3.994 50 10 JHGE CN(C)C[C@@H](Br)CN(C)C(=O)c1cc(Br)sc1Br 690259203 MRWBNGCMGCYDCU-SSDOTTSWSA-N 463.033 3.670 50 10 JHGE COc1cc(C(=O)NN=C2C(=O)N(C/C=C\c3ccccc3)c3ccccc32)cc(OC)c1OC 1083902012 KRFGZTGYNQDNTO-AXHAVXJQSA-N 471.513 3.907 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)CSc2ccccc2C)c1C 1084553860 ZBKCPGRNXGRDDJ-UHFFFAOYSA-N 453.524 3.957 50 10 JHGE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)s1 1141847540 HRDZUROPRBNPRE-MRXNPFEDSA-N 458.722 3.768 50 10 JHGE COc1ccc(CC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1OC 1860822439 DWBCABJHBOOQFB-COOPMVRXSA-N 463.921 3.967 50 10 JHGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692965 QIKSRRMUNHTUGV-NRFANRHFSA-N 464.497 3.877 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CC(OCCCBr)C1 2141951635 XYZSWGSDFGLLKQ-UHFFFAOYSA-N 455.972 3.838 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNS(=O)(=O)c1ccc(CBr)cc1 2162600873 JYPHWCMYISHCFC-HOCLYGCPSA-N 461.422 3.753 50 10 JHGE ClCc1nc(N2CCOCC23CCN(Cc2ccccc2)CC3)ncc1Br 2163144818 SKVXZPJSYNLAJA-UHFFFAOYSA-N 451.796 3.849 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1F)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188888906 WXCPXPPMSZSQQR-HKUYNNGSSA-N 453.377 3.616 50 10 JHGE CC(C)(C)OC(=O)N(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CCN 2324610158 XOMZEJIXUPTULS-UHFFFAOYSA-N 489.620 3.523 50 10 JHGE CC(C)[C@H]1C[C@@](NC[C@H]2C[C@@H](Br)C2)(C(=O)O)CN1C(=O)OCc1ccccc1 2324779235 JLXYZKVPKMXLOZ-IIMDRIAPSA-N 453.377 3.640 50 10 JHGE O=C(C=Cc1ccc(F)cc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2330156228 ULOZZIMSFWCSBY-UHFFFAOYSA-N 499.476 3.541 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CBr)c1ccc(I)cc1 2336540365 BJUIEDLAMMFJPB-UHFFFAOYSA-N 453.999 3.687 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CCC[C@]2(CBr)C1 2364202689 VQQVTIKXBWPLBN-VGSWGCGISA-N 497.455 3.670 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2364206241 RCUIBYXDJHRQAM-HLIPFELVSA-N 497.455 3.811 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1)c1ccc(Cl)cc1 10510673 QTGLOUWHIJTRPP-UHFFFAOYSA-N 453.951 3.911 50 10 JHGE CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)COc1ccc(Br)cc1Br 12584165 DIOKSLYDGRKKPN-FGHSJCFPSA-N 464.154 3.672 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 13621129 AKSWRPBNPPZOSH-BJMVGYQFSA-N 468.362 3.506 50 10 JHGE Cc1ccc2c(c1)/C(=N\NC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2C 33959281 NDSQPMQVBIDUPN-NJNXFGOHSA-N 452.308 3.786 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38650296 DISIRLOYHSQOHB-DEOSSOPVSA-N 473.441 3.806 50 10 JHGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OC)c(OC)c2)c(OC)c1 206500501 JNXSATLLVVOWMF-UWFRNZCSSA-N 450.491 3.764 50 10 JHGE CCCCOCCOCCOCCO[C@](C)(CBr)CNC(=O)OC(C)(C)C 312181096 MGNQQZGXPRTFHT-LJQANCHMSA-N 456.418 3.531 50 10 JHGE C[C@@H]1C[C@H](Br)CN1S(=O)(=O)c1cc(Br)ccc1Br 384947843 AMFBEBKFFYMPFA-APPZFPTMSA-N 462.001 3.758 50 10 JHGE CN(Cc1ccc2c(c1)OCCO2)C(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 914462148 DTHYJDAVIYREKU-QNGOZBTKSA-N 453.502 3.801 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)C3CCCCC3)cc2)cc1 1858663799 ZKJCLYPUOGCAFT-UHFFFAOYSA-N 472.592 3.967 50 10 JHGE O=C(NC1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1)OCc1ccccc1 2044693379 KPGKUHXJCFYQLB-UHFFFAOYSA-N 467.385 3.661 50 10 JHGE O=C(NCc1nnc(CBr)s1)c1csc(Br)c1Br 2072469716 RKHDGUJQSCVKTG-UHFFFAOYSA-N 476.013 3.950 50 10 JHGE O=[N+]([O-])c1cncc(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2078933846 YYQUCPTWJVQRKM-UHFFFAOYSA-N 476.978 3.694 50 10 JHGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1cc(Br)ccc1Br 2101337391 MZRZEVWORDSPKS-WCBMZHEXSA-N 455.972 3.741 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(I)c(Br)c2)C[C@@H]1Cl 2130822050 KZQHFPZPKFCOCT-UBHAPETDSA-N 458.521 3.568 50 10 JHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2cccc(CCl)c2)C1 2140595678 OBOLLCAWAKFWMX-NRFANRHFSA-N 494.057 3.825 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(CBr)cc3)[C@H]2C1 2162588154 BVGBXYFYTKYTLX-XIRDDKMYSA-N 459.406 3.505 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@@H]2NS(=O)(=O)c1ccc(CBr)cc1 2162589208 NXDNDHVCFNGSAE-INMHGKMJSA-N 459.406 3.648 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(I)c(O)c2)CC[C@@H]1CCBr 2172474205 MTIKARRTDGFFKZ-QWRGUYRKSA-N 452.130 3.880 50 10 JHGE CC(C)(C)OC(=O)NC1CCN([C@H]2CCN(CCCCCI)C2)CC1 2220216922 UCXPVABEQMWKME-KRWDZBQOSA-N 465.420 3.655 50 10 JHGE CCCN1CC[C@H]([C@H](Br)c2ccc(C)c(I)c2)S1(=O)=O 2232826052 JSPIASXCXYCPHJ-ZIAGYGMSSA-N 472.186 3.850 50 10 JHGE COCC[C@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2277931264 WSPLXRIWVJSYRD-GFCCVEGCSA-N 457.988 3.670 50 10 JHGE COC[C@H](Br)CN(C)C(=O)Cc1cc(Br)cc(Br)c1 2277933269 QWZIEVSQCKGWRD-GFCCVEGCSA-N 457.988 3.622 50 10 JHGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCN2CCOCC2)cc1C 2296730204 GQSIWMVONIRHAW-UHFFFAOYSA-N 499.615 3.992 50 10 JHGE Cc1nn(C)c(Br)c1C(=O)N[C@H](CCBr)COCc1ccccc1 2303536930 BWFSWZCXIGEKLN-CQSZACIVSA-N 459.182 3.591 50 10 JHGE COc1ccccc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 2331282452 XILGBCBAOVZGPM-UHFFFAOYSA-N 462.443 3.816 50 10 JHGE CC(C)[C@H]1C[C@](C(=O)O)(N(C)C[C@H]2C[C@H](Br)C2)CN1C(=O)OCc1ccccc1 2351124858 NLKULGJOVPGTRD-YXTQBTIXSA-N 467.404 3.982 50 10 JHGE O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)c2ccccc2Br)cc1 3086422 BSILRTWRZOJSAW-FSJBWODESA-N 454.280 3.877 50 10 JHGE COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)/C(C#N)=C(\C)N)cc1Cl 9562721 FOCGLRMFTHDQLB-UTCAOAAESA-N 456.911 3.744 50 10 JHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 13976803 JHYXYJMCTDQQOB-UHFFFAOYSA-N 490.585 3.524 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c(Br)c1 14649938 KINRESOXFUORST-UHFFFAOYSA-N 488.382 3.935 50 10 JHGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC 206291877 OAUIURIHQSNJHM-JXAWBTAJSA-N 478.530 3.835 50 10 JHGE CCOc1ccc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC 254353362 WSDWICHICNQLMC-UHFFFAOYSA-N 476.558 3.991 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)/C=C/c1ccccc1 254668744 GUJPALCPQBBMDP-MMBOFTJPSA-N 475.457 3.751 50 10 JHGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3cccc(Cl)c3)c3ccccc23)C1 254792311 FRZRJLPMHOLKAB-LJQANCHMSA-N 487.025 3.855 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cc(CCl)oc1Br)C2 702080273 GLFFGJISSPXYNC-HNAYVOBHSA-N 473.820 3.924 50 10 JHGE CN(CCC(CBr)(CBr)c1ccccc1Br)S(C)(=O)=O 706326014 OHDVLPJEUYZDFJ-UHFFFAOYSA-N 492.071 3.758 50 10 JHGE O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCS[C@@H](CCBr)C1 719988845 JSWMIHUTJICYDP-VIFPVBQESA-N 463.644 3.994 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)OCO3)c(-c2ccccc2)n1 761398742 WEQXFSDZQMYMEY-ODLFYWEKSA-N 454.442 3.526 50 10 JHGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC#N 1084591871 DXYQPPQILWHCCP-JOCHJYFZSA-N 451.523 3.689 50 10 JHGE C=CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)[C@@H]1CCS(=O)(=O)C1 1528599673 CBDYDPMXFFBRSU-GSERBOKHSA-N 457.983 3.856 50 10 JHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C(N)=O)c1C 1866129480 WAIRKIJNFYTBQS-XYOKQWHBSA-N 462.325 3.640 50 10 JHGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC 1873940809 ISVMQKZNMDWIOC-VLGSPTGOSA-N 496.501 3.967 50 10 JHGE CN(CCN(Cc1ccccc1)S(=O)(=O)N(C)CCCBr)Cc1ccccc1 1885386231 ABBPDYBKOOWDBO-UHFFFAOYSA-N 468.461 3.582 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Br 1924807675 ZTFZGDATZQNJSQ-VQIMIIECSA-N 497.455 3.716 50 10 JHGE O=S(=O)(c1ccc(Cl)c(Br)c1)N1C[C@@H](Br)[C@H](Br)C1 2075314190 SLXRJINCBUHQLP-RKDXNWHRSA-N 482.419 3.634 50 10 JHGE CC1(C)C[C@H](CBr)CN(C(=O)c2cc(I)ccc2O)C1 2172584459 CPASNHHANTVYNP-SNVBAGLBSA-N 452.130 3.880 50 10 JHGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179825945 NBYIDJPCSBGPFT-PWRODBHTSA-N 455.462 3.868 50 10 JHGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(F)c(F)cc1F 2277437600 PAAIDJHFHMXPSF-ZDUSSCGKSA-N 452.292 3.705 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(Cl)cc3)nc12 2296719357 HZGOOZYBZSNJKJ-IBGZPJMESA-N 464.909 3.651 50 10 JHGE CCOC(=O)c1ccc(NC=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314579381 REDVGBIEBDTLFI-UHFFFAOYSA-N 459.502 3.619 50 10 JHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 10683856 AADNDERISGBXQP-LAUBAEHRSA-N 456.539 3.761 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)ccc1Br 13977004 VXPUUHOVTGLZKD-UHFFFAOYSA-N 486.391 3.554 50 10 JHGE CCCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 14666191 RBTNMIHIEVPFLU-UHFFFAOYSA-N 464.385 3.506 50 10 JHGE CCOc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 58889580 GFMRXRJFZBACMB-WBRURWICSA-N 452.292 3.654 50 10 JHGE O=C(COCC(=O)N/N=C/c1c(Cl)cccc1Cl)N/N=C/c1c(Cl)cccc1Cl 59499257 FRHOPFUXHXKETQ-ZPNKGADNSA-N 476.147 3.917 50 10 JHGE Cc1cccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 254739020 RBPOOWDZZDVZOT-UHFFFAOYSA-N 455.493 3.867 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)cc1 256019588 CGCKINSGRBPMNP-FGTMMUONSA-N 459.449 3.796 50 10 JHGE O=C(CCC(=O)NN=Cc1c(O)ccc2ccccc12)NN=Cc1c(O)ccc2ccccc12 257351151 CIBMFVMBWAFGLO-UHFFFAOYSA-N 454.486 3.785 50 10 JHGE CC(C)N1C(=O)C(=NNC(=O)COc2ccccc2Br)c2cc(Cl)ccc21 585679587 LDZAQVYBJBJPBQ-UHFFFAOYSA-N 450.720 3.757 50 10 JHGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)CCSc2ccc(F)cc2)cc1 1214912444 VUNRAKCRRBOPKW-UHFFFAOYSA-N 456.543 3.975 50 10 JHGE C/C(=C/C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1 1449359589 ASKQLXRISGIGSR-HECSCLNYSA-N 455.477 3.903 50 10 JHGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(F)c(F)c3)nc2C)c1 1865757337 XZCRWBXZJLWAHJ-VZUCSPMQSA-N 453.445 3.827 50 10 JHGE O=C(NCc1nnc(CCl)s1)c1cc(I)ccc1Br 1877542730 JPQRSSCSGHTKSW-UHFFFAOYSA-N 472.533 3.574 50 10 JHGE C[C@@H](Br)CN(C)C(=O)c1ccc(Br)cc1I 1995286025 NUMLBEOPUITHFN-SSDOTTSWSA-N 460.935 3.909 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC=C[C@@H]1CBr 2125952180 VGSAJCGTJQPFFO-SNVBAGLBSA-N 474.012 3.926 50 10 JHGE O=C(N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1)N1CCC(Br)CC1 2162586565 JTKRYYBKHMPXRW-LJQANCHMSA-N 480.403 3.516 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C12CCC2 2162589153 NMKYXCKZAOHMES-CVEARBPZSA-N 459.406 3.696 50 10 JHGE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(C(=O)N2CCC(Br)CC2)C1 2162880881 SZYDYNYCDIJIGA-CQSZACIVSA-N 454.356 3.932 50 10 JHGE Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)cc(CBr)c1F 2179863246 JFXZZMUHMJICDB-INIZCTEOSA-N 455.393 3.924 50 10 JHGE O=S(=O)(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)F)c1ccc(CBr)cc1 2193240989 XDOUJCLMOXEYEI-QZTJIDSGSA-N 459.356 3.626 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](OC2(C3CCCCC3)COC2)[C@H](I)C1 2250827649 DSFDKUPAIKUTRT-CABCVRRESA-N 451.345 3.775 50 10 JHGE C[P@@]1(=O)C[C@H](NC(=O)c2ccc(Cl)c(I)c2)[C@@H](Br)C1 2268354491 BZYQJSCQNJDOLB-VCJDJFQASA-N 476.476 3.813 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCCCCl)CC1 2283127715 SLEVQJIPJYIVJA-UHFFFAOYSA-N 455.020 3.760 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)[C@H](C(=O)OC)CC3)cc1 2314734505 BSRAHWAOPTZWFF-MRXNPFEDSA-N 454.504 3.682 50 10 JHGE CC[C@H](C)[C@@H](CI)NC(=O)c1c(Br)c(Br)nn1C 2316834834 VCTUZQMHYANBFJ-NKWVEPMBSA-N 492.981 3.525 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](C)C[C@@H]1Br 2338846222 BKEVNVCJFYFKDP-MDZRGWNJSA-N 485.444 3.667 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C1CCCCC1 14650313 TVAWKYVPBPRBMC-UHFFFAOYSA-N 456.406 3.844 50 10 JHGE CCCCN1C(=O)CC[C@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)[C@H]1c1ccccc1OC 22698924 VDLWZSJIWQXQNT-NBGIEHNGSA-N 476.577 3.728 50 10 JHGE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 40877882 MRMUTPXPBDQVED-CPNJWEJPSA-N 476.485 3.895 50 10 JHGE O=C(/C=C\c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NNC(=O)c1ccco1 53356085 PAKRPITYVIXNMB-FLIBITNWSA-N 479.436 3.574 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC#N)c(OC)c2)cc1 58894161 QMFPLHFHFDAANS-LPANUZLBSA-N 490.354 3.723 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Sc3ccccn3)cc2)cc1 59146913 DWGGJNZUXIYEDB-HIQXPHMNSA-N 455.561 3.789 50 10 JHGE Cc1cccc(C(=O)NC(C)(CBr)CBr)c1I 235780799 SGOIBKVTTXPXAA-UHFFFAOYSA-N 474.962 3.878 50 10 JHGE CC[C@@H](Nc1cccc(Br)c1)C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 252601745 FCKPOSPPBLSOSB-MRXNPFEDSA-N 450.333 3.816 50 10 JHGE COC[C@@](C)(CBr)NC(=O)c1cc(I)ccc1Br 716907075 JRLZFYJSLSTOOA-GFCCVEGCSA-N 490.961 3.584 50 10 JHGE CC(=O)N(c1nc(C=NNC(=O)c2cc(Br)cn2C)cs1)c1ccc(F)cc1F 767330886 WTSQXSYJSYZVFH-UHFFFAOYSA-N 482.310 3.971 50 10 JHGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] 1084105264 WXIBDFDFBBXFCX-UHFFFAOYSA-N 451.351 3.967 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc([N+](=O)[O-])s1 1084453857 IWKVRMBLMWIDAS-UHFFFAOYSA-N 463.107 3.710 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2Cc3c(C)cccc3N2C(=O)OC(C)(C)C)c1 1176937484 NQCKRWCULFFOLA-FQEVSTJZSA-N 450.564 3.660 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C(F)(F)C1 1260512110 FWBXTNYAXLWCDX-CQSZACIVSA-N 469.348 3.505 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)cc3)cc2)cc1 1858990515 ZQGJIKXBEZBXSN-UHFFFAOYSA-N 498.561 3.882 50 10 JHGE CN1C(=C(C#N)C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)Sc2ccccc21 2053606902 XYPBJDFMWGALMK-MRXNPFEDSA-N 470.938 3.529 50 10 JHGE C[C@H]1CN(C(=O)c2cccc(Br)c2Br)C[C@H](CBr)O1 2092339365 CYYWOEMZGVKLPG-IUCAKERBSA-N 455.972 3.836 50 10 JHGE O=C(Cc1ccccc1I)NC[C@@H](Br)CC(F)(F)F 2119073120 HZEIZUGXVXLLIV-VIFPVBQESA-N 450.036 3.666 50 10 JHGE CCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1CBr 2179785827 RBTCLDCWRNJPEG-QGZVFWFLSA-N 454.434 3.546 50 10 JHGE CCc1nn(C)c(C(=O)N[C@@H](C)CCCCCI)c1Br 2192386376 FDEYXYDFSNQYOL-JTQLQIEISA-N 456.166 3.859 50 10 JHGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)N1CCC[C@H](CCBr)C1 2197754847 HLMNNBJDFDZQLW-QUCCMNQESA-N 459.450 3.800 50 10 JHGE CC(C)(CI)CN1CCC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 2306820783 IJCJWRGLPKDFNA-GOSISDBHSA-N 452.377 3.550 50 10 JHGE Cn1cc(I)c(CN2C[C@@H](CBr)C[C@@H](C(C)(C)C)C2)n1 2367588014 VQEVQDFOESIYHR-VXGBXAGGSA-N 454.194 3.904 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1cc(F)c(CCl)cc1F 2368830877 XZNIOVKCSWNRDF-UHFFFAOYSA-N 456.898 3.912 50 10 JHGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)c1 10671594 LRLKFDQYCXGMEQ-GFCCVEGCSA-N 480.384 3.584 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)CCCC(=O)OCCCc1ccccc1 14016917 WWNOAIFHBDICJV-UHFFFAOYSA-N 491.382 3.630 50 10 JHGE Cc1cccc(-n2c(S[C@H](C)C(=O)C(C#N)=C3Nc4ccccc4N3)nnc2N2CCOCC2)c1 24270717 CGTXELMPQTXVRU-QGZVFWFLSA-N 487.589 3.735 50 10 JHGE Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40590634 ADMSUROPUZMOEC-UHFFFAOYSA-N 457.834 3.684 50 10 JHGE CN1C(=O)/C(=N\NC(=O)COc2cc(Cl)ccc2Cl)c2cc(Br)ccc21 103830056 MEUTXKYBEQXYDC-JWGURIENSA-N 457.111 3.632 50 10 JHGE CC(C)[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1)n1cnc2cc(F)c(F)cc21 109495103 FOFHQQAQQACJAQ-BLVKFPJESA-N 495.324 3.889 50 10 JHGE COc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2)c(OC)c1Br 169901051 DAHWVVZYUPPPDY-JMIUGGIZSA-N 456.134 3.922 50 10 JHGE CC(C)[C@H](CI)NS(=O)(=O)c1ccc(Br)cc1Cl 232750285 HLZDGLVZKNDPON-JTQLQIEISA-N 466.566 3.840 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCOC[C@@H]1CCBr 694879759 KQJFOYBTYYIBIK-JTQLQIEISA-N 455.972 3.838 50 10 JHGE O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 728754540 MXMQKKWCUAGVMN-HSZRJFAPSA-N 490.579 3.913 50 10 JHGE CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 917365933 FMDWFCRPTVMRCK-XMMPIXPASA-N 457.530 3.705 50 10 JHGE CC(=O)N[C@H](C(=O)NNc1ccc(Br)cc1C)c1cccc(Br)c1 1630980939 GPKCDAWIMTVPOL-INIZCTEOSA-N 455.150 3.841 50 10 JHGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1cc(Br)sc1Br 2039822357 RVOWJGKRJGJYDC-RNFRBKRXSA-N 462.001 3.803 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2scc(Br)c2Br)C1 2046663204 FTHWKCONEAZLJI-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE C[C@@H](Br)[C@H]1CN(C(=O)c2cccc(Br)c2Br)CCO1 2117533236 WQCPKPXXGGMGKU-LDYMZIIASA-N 455.972 3.836 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCN2C[C@H](Br)C[C@@H]2C1 2150493004 HNBDOWZDYZYFKG-NXEZZACHSA-N 466.999 3.505 50 10 JHGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)N1CCC[C@H](CBr)C1 2179813130 RRTSWBFIRXFXIX-GUDVDZBRSA-N 459.450 3.654 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(F)c(CBr)c1F 2179860162 NRDWQQGWRRCGOJ-AWEZNQCLSA-N 459.356 3.755 50 10 JHGE COc1cc(Br)c(C(=O)NCCCCCI)cc1OC 2189052287 XRFCJMFZGRGZMK-UHFFFAOYSA-N 456.118 3.801 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2204090172 OUPKITRXXIMAAJ-BZSNNMDCSA-N 497.455 3.668 50 10 JHGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296848719 YDIJORGUJIVUFH-CALCHBBNSA-N 498.992 3.608 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1OC 2314754884 GMWCUMRJNUQNRO-UHFFFAOYSA-N 476.485 3.895 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C(C#N)=Cc1ccc(Cl)cc1 2314792622 BOTAVGOSWYYLAD-UHFFFAOYSA-N 477.904 3.627 50 10 JHGE C[C@H]([C@@H](Br)c1ccc(Cl)cc1I)S(=O)(=O)N(C)C 2317778791 QCVPPSGSRUWOSA-RDDDGLTNSA-N 466.566 3.661 50 10 JHGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C(N)=O)c1C 2329665408 WAIRKIJNFYTBQS-UHFFFAOYSA-N 462.325 3.640 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@](NCC2CC(Br)C2)(C(=O)O)C[C@H]1C(F)(F)F 2377458071 PMVHAOUEBHNBEA-MDWCYXOMSA-N 459.303 3.535 50 10 JHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1 12502599 PFEAYFRILXGFMK-UHFFFAOYSA-N 498.992 3.621 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 13983592 AXMZJXMJSJKZHY-ZDUSSCGKSA-N 494.411 3.686 50 10 JHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 14770895 HQDSITKLRINVST-UHFFFAOYSA-N 494.411 3.686 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)nc12 33350388 GWHMQEPWECWKOG-RGEXLXHISA-N 468.966 3.985 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 38683375 PBICPNIDVJUKFS-QFIPXVFZSA-N 471.425 3.819 50 10 JHGE CCOc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 40514787 QNPNVHADGWTPFN-HYARGMPZSA-N 474.513 3.820 50 10 JHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccn1)CCC2 40814241 YXUHYTHKIYYFOA-WPWMEQJKSA-N 460.490 3.517 50 10 JHGE O=C(CSc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1)NNC(=O)C1CCC1 59879684 REHSCEWDOXUDPI-DHRITJCHSA-N 473.562 3.597 50 10 JHGE C[C@H](CBr)N(C)C(=O)c1cc(I)ccc1Br 235404590 AKZHEVAUHDYAKV-SSDOTTSWSA-N 460.935 3.909 50 10 JHGE Cc1cc(CCl)cc(-n2cnc(I)c2I)n1 309169621 MBECEBMTNXDGBJ-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE CCOC[C@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 380805945 LRLSWJRJZILLJP-MRVPVSSYSA-N 470.010 3.834 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)ccc1O 1084302566 GFEBZUWEGLSZQF-UHFFFAOYSA-N 472.589 3.873 50 10 JHGE CC(=O)c1ccc(Oc2ccc(C(=O)NNc3ccccc3S(=O)(=O)N(C)C)cc2)cc1 1570020717 IKHGPLHWPJUODO-UHFFFAOYSA-N 453.520 3.689 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccccc3Br)c(=O)c2c1-c1ccccc1 1860770236 YXONRJAXNBZLMA-UHFFFAOYSA-N 497.374 3.657 50 10 JHGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc(Br)c1O 1865687788 AKJNALKIIHINEA-GOSISDBHSA-N 468.311 3.661 50 10 JHGE CN1CC[C@H]([C@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2029047100 PVDJSQROEAOASK-GHMZBOCLSA-N 462.001 3.682 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@H]1OCCOC1(C)C)C(=O)OC(C)(C)C 2066859957 JQUKOXACJQFPIS-RDTXWAMCSA-N 471.376 3.648 50 10 JHGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1c(Br)cccc1Br 2101335972 VSLKVRRWMWEGOE-RKDXNWHRSA-N 455.972 3.741 50 10 JHGE O=C(NC[C@@H](CBr)C(F)(F)F)c1cccc(F)c1I 2105262092 LYADRFRTQVYPTA-ZCFIWIBFSA-N 453.999 3.734 50 10 JHGE Cc1cc(S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)sc1CBr 2132370028 RZIZXRJYMONIQY-IRXDYDNUSA-N 455.443 3.846 50 10 JHGE Clc1cc(CC[C@H](Br)CN2CCOCC2)ccc1I 2142936936 MRWPOTVBVCTHHL-LBPRGKRZSA-N 458.565 3.973 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](CBr)(C(C)(C)C)C1 2160929331 JFEWXFBYJGGVNB-QFIPXVFZSA-N 499.471 3.772 50 10 JHGE O=S(=O)(c1occc1CBr)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179825581 INRPVRHWVBJSCE-PKOBYXMFSA-N 453.402 3.707 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179870845 RSSNTNWWEJSNTN-HXUWFJFHSA-N 453.402 3.851 50 10 JHGE CC(C)Cn1ncc(NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1=O 2181742550 CZTKBKZJHSMOJX-UHFFFAOYSA-N 481.482 3.980 50 10 JHGE O=S(=O)(c1cc(F)ccc1CBr)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188883696 IEHDZLTXTNNJBB-PKOBYXMFSA-N 453.377 3.616 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H]2COC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2257993958 IWUNFYBUNFFFBY-VPLLLXJESA-N 491.720 3.800 50 10 JHGE CCOC1(CBr)CN(C(=O)c2ccc(Cl)c(I)c2)C1 2268346015 OBIXBUNXTNTIPZ-UHFFFAOYSA-N 458.521 3.571 50 10 JHGE CCCN1CC[C@H]([C@@H](Br)c2c(F)cccc2I)S1(=O)=O 2282905974 WYIDIJHHJVZFHJ-DGCLKSJQSA-N 476.149 3.680 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 2324272374 CUGWIDDFISMRCI-UHFFFAOYSA-N 479.389 3.654 50 10 JHGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2329662103 JGRYZAVHILRDRO-UHFFFAOYSA-N 484.335 3.586 50 10 JHGE CC1(C)[C@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338852057 KPAPIYHFJVSXAT-INIZCTEOSA-N 485.444 3.668 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2364011497 AJPMLNOUQTZFQB-MAUMQABQSA-N 470.003 3.627 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)C(=O)[C@@H](Br)C1CCCC1 2364446783 SAZJIMWHQSTNDV-JTQLQIEISA-N 472.019 3.857 50 10 JHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1cccc2ccccc12 20805536 AWXKCMFOJOEIIZ-CVKSISIWSA-N 482.573 3.653 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Nc3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40649192 IZJRVRSDBQIWFX-UHFFFAOYSA-N 459.260 3.656 50 10 JHGE CCCC(=O)CC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=NNC(=O)C[N+](C)(C)C 254308151 IPWWKPABCDMUTK-UHFFFAOYSA-O 479.645 3.933 50 10 JHGE CCn1c(SCC(=O)NN=Cc2c(OC)cc(OC)cc2OC)nnc1-c1ccc(C)cc1 254617990 GVQGQOYSBYBDQU-UHFFFAOYSA-N 469.567 3.542 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccco1 254710139 JAMVKRRQMUFECY-UHFFFAOYSA-N 467.434 3.643 50 10 JHGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)c1C 1083916649 WZSAKFQFUNULDP-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE C[C@H](Oc1ccc(C=NNC(=O)c2cc(Br)cc(Br)c2O)cc1)C(=O)O 1084321711 CCBHPMDQRCKXJH-VIFPVBQESA-N 486.116 3.533 50 10 JHGE COCCNC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772751488 DGGKISAFTZHICR-UHFFFAOYSA-N 451.523 3.727 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 1858664535 JMYOVHAUMHMMBR-UHFFFAOYSA-N 472.573 3.762 50 10 JHGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865695759 HDEDKLSMNOZAIB-SFHVURJKSA-N 452.312 3.906 50 10 JHGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711777 HTZDTVFWRSNYHQ-HXUWFJFHSA-N 465.853 3.732 50 10 JHGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 1872759565 SPBSXLHZBHRRBS-VLGSPTGOSA-N 477.498 3.925 50 10 JHGE CO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 1901051267 HKXQJUXZZYGFPC-GMTAPVOTSA-N 461.919 3.983 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2023474370 PIMFTHKOCLOUEK-IERDGZPVSA-N 477.693 3.651 50 10 JHGE O=C(COC(=O)C(=Cc1ccc(OC(F)F)cc1)c1ccccc1)NNC(=O)c1ccccc1F 2042450200 LWCWQCODPPKTJF-UHFFFAOYSA-N 484.430 3.972 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)CCO1 2053851377 RNNUUMNYMUGPBV-SVRRBLITSA-N 462.001 3.898 50 10 JHGE O=S(=O)(CI)Nc1nc(-c2cccc(Br)c2)cs1 2056605631 OQNQATQJKCWUBD-UHFFFAOYSA-N 459.128 3.707 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCC[C@H](OCCCl)C1 2170213206 HRQVOWWQTLWBOM-NSHDSACASA-N 472.548 3.914 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@@H]2CCO[C@]2(CBr)C1 2231354919 IHOVQWHRLXSIJD-JVXZTZIISA-N 474.012 3.899 50 10 JHGE CC(C)(C)CCN(CCBr)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2261136259 XNKABBFFEARAPM-UHFFFAOYSA-N 473.433 3.526 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC[C@@H](Br)C2)CC1 2288060937 LINFBJNSYCWZOQ-MRXNPFEDSA-N 497.455 3.668 50 10 JHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2cccc([N+](=O)[O-])c2)cc1OC 2297451118 NVUVHHLMCAEFRX-UHFFFAOYSA-N 488.500 3.923 50 10 JHGE CC[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 2306409620 YDHUOHGTQQXNEI-VLIAUNLRSA-N 481.681 3.629 50 10 JHGE Cc1nc(I)c(NC(=O)C(C)(C)CCCl)c(I)n1 2315439302 CSFFUVRWHWTYCB-UHFFFAOYSA-N 493.514 3.588 50 10 JHGE COc1c(F)cc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)cc1F 2316262071 VOKZNZGBLRRLIG-KBPBESRZSA-N 469.266 3.913 50 10 JHGE COC[C@@](C)(CBr)N(C)C(=O)c1ccc(Cl)cc1I 2340060448 COBHETSJXAVLFN-CYBMUJFWSA-N 460.537 3.817 50 10 JHGE CCOCCOc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 10216537 SZDZOODLHUQTRR-UHFFFAOYSA-N 453.539 3.696 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 38688603 ICZZIYRVEHJXKC-JWQCQUIFSA-N 486.480 3.667 50 10 JHGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40611402 WJHNIVNSDAYDOE-UHFFFAOYSA-N 488.335 3.775 50 10 JHGE CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 59332996 XQBQQKHPVVIISW-NBVRZTHBSA-N 487.341 3.946 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccccc3Cl)nc12 102683016 BCNSRFGRHCGSGT-WBILKINKSA-N 464.909 3.651 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)cc1 102855519 OORMRQFNVJUYOI-PGMHBOJBSA-N 452.518 3.858 50 10 JHGE CC(=O)[C@@H](Br)c1c(I)cccc1I 306916096 WLXDGCQVDYIFJE-SECBINFHSA-N 464.866 3.921 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)cc1 1084561313 GVLVGIRHYOMSKZ-UHFFFAOYSA-N 493.585 3.996 50 10 JHGE C#CCOc1ccc(F)cc1NC(=O)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 1310371564 LMBOKXQDWNQSQL-UHFFFAOYSA-N 459.474 3.500 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2cnn(-c3cccc(Br)c3)c2C)c1 1637294911 FFKWKKCVGJFQEC-UHFFFAOYSA-N 454.353 3.556 50 10 JHGE COc1cccc(-c2ccc(C(=O)NNC(=O)c3ccccc3S(=O)(=O)CC(C)C)c(C)n2)c1 1865758736 OPSKCIFWWAHGJY-UHFFFAOYSA-N 481.574 3.570 50 10 JHGE CCCc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1865851690 GKXPVYKHVZEHMM-UHFFFAOYSA-N 490.585 3.612 50 10 JHGE BrCC1[C@H]2CN(c3ncc(I)cc3Br)C[C@H]12 1988536636 PZCUINGGKXVXQT-RKDXNWHRSA-N 457.935 3.526 50 10 JHGE N#CCc1c(I)cc(CBr)cc1I 2060171038 WNPIWJUQNUMIDJ-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE O=C(NC[C@H]1C[C@H](Cl)CCO1)c1cc(I)ccc1Br 2097937685 HNYRRIJDUSOSBB-PSASIEDQSA-N 458.521 3.570 50 10 JHGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)CC1 2110715496 NULDLGODSJFRMM-HAWMADMCSA-N 451.427 3.964 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2I)C[C@@H]1Br 2130824888 SRLOEWRTWJITNP-PTOFAABTSA-N 458.521 3.615 50 10 JHGE COc1ccc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CC[C@@H]1OCc1ccccc1 2179858625 QWCBJUJLAGESFS-MSOLQXFVSA-N 454.386 3.958 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NC1CC(Br)C1 2221692640 FKZQCVPPKNRETA-SSDMNJCBSA-N 476.209 3.927 50 10 JHGE CC(C)(CBr)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 2290042248 GQASRLJYCLGDFK-ZRNYENFQSA-N 455.462 3.580 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1OC 2313601940 UUPJWOAUDHMADU-UHFFFAOYSA-N 459.502 3.739 50 10 JHGE COc1cccc(-c2ccc(C(=O)NN=C(C)c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)c(C)n2)c1 2321272466 IUELQUUPDWQBHL-QGZVFWFLSA-N 458.518 3.963 50 10 JHGE O=C(NN=Cc1ccc(Cl)c(Cl)c1)[C@@H](Sc1nnc(O)nc1O)c1ccccc1 2323176842 NHTFIHWYAFHSAM-AWEZNQCLSA-N 450.307 3.573 50 10 JHGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ncc(Br)cn1 2325412070 SYNZXBDIBSOINT-UHFFFAOYSA-N 484.095 3.610 50 10 JHGE Cc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1I 12493054 SITVOQZNTHUYLU-UHFFFAOYSA-N 460.271 3.593 50 10 JHGE Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)CCC(=O)Nc1cccc(Cl)c1C 12574675 VDDQNFSXGQULHD-UHFFFAOYSA-N 477.746 3.911 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)cc(C)c1Cl 13981440 UIKNMSGCTBGKFV-BQYQJAHWSA-N 452.363 3.724 50 10 JHGE Cc1cccc(C)c1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br 14644199 HJWIEHJSDGVDBW-ZDUSSCGKSA-N 455.736 3.713 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38654279 ZMOVOYDWMMJUMH-OAQYLSRUSA-N 458.386 3.940 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 40527363 TXLILBZXHJFRCS-QHCPKHFHSA-N 488.412 3.706 50 10 JHGE COc1c(Cl)cc(/C=N/NC(=O)c2cc(-c3cccs3)nc(O)n2)c(OC)c1Cl 169923711 RKBIGKLKRUVTNU-ODCIPOBUSA-N 453.307 3.999 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc([N+](=O)[O-])cc3)cc2OC)cc1 254616652 SMBPIVGRSSMLJU-UHFFFAOYSA-N 493.472 3.750 50 10 JHGE CO[C@@]1(CCl)CCN(C(=O)c2cc(Br)ccc2I)C1 401602136 BRABAGZWMWFUIA-CYBMUJFWSA-N 458.521 3.524 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)c(-c2ccccc2)n1 748256285 HOYJLOMOPFCDNF-MOSHPQCFSA-N 470.508 3.985 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCC2(c3ccccc3)CCCC2)cc1 920851301 GFIVRFCDIGGAOJ-OQKWZONESA-N 497.599 3.969 50 10 JHGE CC(=O)N(c1ccc(NC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1)[C@@H]1C[C@@H]1C 1677827545 MZDNZRPXWBFWNA-KPZWWZAWSA-N 452.483 3.593 50 10 JHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746014 NTWKEXOCRWSIDU-UHFFFAOYSA-N 490.472 3.625 50 10 JHGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714144 DWKXOWFXBCRIRJ-IBGZPJMESA-N 451.870 3.979 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Cc4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1865852499 ZCKNVXWAAHVDIR-NWDGAFQWSA-N 493.416 3.841 50 10 JHGE CC(C)(CI)CN=[S@](C)(=O)C1CC(CNC(=O)OC(C)(C)C)C1 1904650856 KLPBAPDGAIWOHW-RKLPPVLTSA-N 458.406 3.849 50 10 JHGE CN(C[C@@H](Cl)COCc1ccccc1)C(=O)c1cc(I)ccc1O 1916353655 GPZHCIXDTQYDPX-CQSZACIVSA-N 459.711 3.893 50 10 JHGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1sccc1I 2041117475 XNBKBWPCKAXEQO-JTQLQIEISA-N 450.086 3.988 50 10 JHGE C[C@H]([C@H](Cl)c1ccc(Br)cc1I)S(=O)(=O)N(C)C 2086149981 VGLSTPAABJLRSE-HQJQHLMTSA-N 466.566 3.614 50 10 JHGE O=C(N[C@@H](CBr)CC(F)(F)F)c1cc(I)ccc1F 2113351560 QHUCKPLXHWYJHN-SSDOTTSWSA-N 453.999 3.876 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC1(C)C 2163056131 ONEJRJSECHAAKR-HNNXBMFYSA-N 461.422 3.753 50 10 JHGE C[P@]1(=O)C[C@H](Br)[C@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 2177853089 ZBFOINSBOMQUAE-NWJBQHJCSA-N 465.531 3.519 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H](CCBr)O1 2179375365 PDSGPWHEDWTNIO-MWLCHTKSSA-N 472.548 3.959 50 10 JHGE O=S(=O)([C@H](CBr)C1CC1)N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2179826566 UJQTYTFCXORRSC-GOSISDBHSA-N 465.404 3.723 50 10 JHGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCN2CCOCC2)cc1 2296545444 RAVAOOQFWQVBHO-UHFFFAOYSA-N 485.588 3.683 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 2313890165 CAKOJOTXYOHKDO-CYBMUJFWSA-N 482.389 3.895 50 10 JHGE CCCOc1ccc([C@H](CC(=O)O)NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)cc1OC 2331116158 REAQDGRHFMFPPA-QFIPXVFZSA-N 482.533 3.748 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2[C@@H](C)CC)cc1 9874111 LFSGDPHJGKUXKO-ZWKOTPCHSA-N 456.539 3.761 50 10 JHGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623281 ZDCJEVWQDFDEPV-ZCYQVOJMSA-N 471.557 3.707 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(Cl)c2)c(Br)c1 14005313 WDCOUWVOQRCURC-UHFFFAOYSA-N 484.803 3.940 50 10 JHGE O=C(NN(Cc1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 32256904 DFWUERQKYHPQIC-UHFFFAOYSA-N 455.605 3.887 50 10 JHGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCCOC(C)C)cc1 33737766 QRYQLVOLJDMMMT-SILNSSARSA-N 460.534 3.887 50 10 JHGE COc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959247 JRGOLFZIMQMZKQ-CVKSISIWSA-N 470.522 3.971 50 10 JHGE N#C/C(=C/c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)c1nc2ccccc2s1 34990550 COWGEVXKKNBJAG-ICFOKQHNSA-N 471.542 3.712 50 10 JHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] 40659247 GUTAEMCLUKKRLT-UHFFFAOYSA-N 477.359 3.741 50 10 JHGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40795517 VROUBZHJSMBJIY-UHFFFAOYSA-N 476.324 3.590 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(Cl)cc1 41015515 DLPSETQRKOIEDP-XDJHFCHBSA-N 484.936 3.879 50 10 JHGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 48572501 ZIPHCIDMDUPXDM-RWPZCVJISA-N 479.920 3.838 50 10 JHGE O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 59382322 FRNUZRCYESPQJO-AFUMVMLFSA-N 492.513 3.636 50 10 JHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618949 UMRMAADMTLNRMZ-MWAVMZGNSA-N 495.539 3.610 50 10 JHGE CCCCOCCOCCOCCO[C@H](CCl)[C@@H](I)CCl 162614366 YCLAVCQKIHHPAZ-UONOGXRCSA-N 457.176 3.503 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)cc1 725446686 LQNOBBJHFISETM-UHFFFAOYSA-N 488.997 3.672 50 10 JHGE O=C(NNC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(Br)s1 727365220 AVCFASKVEWNTHD-UHFFFAOYSA-N 465.398 3.798 50 10 JHGE O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(-c2ccc(I)cc2)o1 1548338184 VIOHXZOHJABEAC-BHGWPJFGSA-N 491.260 3.570 50 10 JHGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710115 OPWPSSTZLVFFHV-OAQYLSRUSA-N 477.452 3.530 50 10 JHGE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3sc(/C(C)=C/C#N)c(C)c3C(=O)OC)CC2=O)cc1 1873428028 IKLBNKIRFRVQOR-SHRNQRGKSA-N 495.557 3.938 50 10 JHGE O=C(NC[C@H]1CC12CCC(Br)CC2)c1cc(I)sn1 2120025616 KILNYEQVVYBURA-BGQFSCJGSA-N 455.159 3.821 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@@H]1C(C)(C)C 2128678236 GCOWEPKAXMHPPB-DLBZAZTESA-N 485.444 3.523 50 10 JHGE CS(=O)(=O)[C@H]1CSCCN1c1c(CBr)ccc(Br)c1Cl 2154370139 YKCKIXSKBAQAIO-JTQLQIEISA-N 463.644 3.921 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)N2CCC(Br)CC2)[C@@H](C(F)(F)F)C1 2163269103 HFYZHZGCNMCQMJ-YPMHNXCESA-N 458.319 3.601 50 10 JHGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2ccc(CBr)cn2)C[C@@H](C)N1Cc1ccccc1 2179814354 BBTYNVXPPOFSPO-IXDOHACOSA-N 452.418 3.649 50 10 JHGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CBr)cn1 2179822778 AQVUAAKMMXFTTR-UHFFFAOYSA-N 452.418 3.509 50 10 JHGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCOC2)c(CCBr)c1 2179826466 SIFABYAJYCENIG-SFHVURJKSA-N 454.386 3.612 50 10 JHGE BrC[C@@H]1CC[C@H]2CN(c3ncc(Br)cc3Br)C[C@H]2O1 2273542421 WKYOYFUWPJVCIM-PTOFAABTSA-N 454.988 3.985 50 10 JHGE CC[C@H](Br)[C@@H](CC)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821667 IFLSWJDHCYZTQE-ZWKOTPCHSA-N 473.433 3.715 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCBr)C1CCCC1 2338837692 RTYNPASWXGPANE-UHFFFAOYSA-N 485.444 3.812 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1CBr 2338837923 TYGUWKUJZIWPQC-QFBILLFUSA-N 485.444 3.716 50 10 JHGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc2c(c1)CC(=O)N2 2364065157 ZSTIYRMRYHBFJI-SNVBAGLBSA-N 463.955 3.924 50 10 JHGE O=S(=O)(c1sccc1Br)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370237939 FEHUIZWKXGAURU-POYBYMJQSA-N 457.131 3.990 50 10 JHGE Cc1ccc(C(=O)N(CCBr)C2CCOCC2)cc1I 2381893290 AHLFGUBSPXNGMX-UHFFFAOYSA-N 452.130 3.616 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2Cl)c(Br)c1 12489320 RLFXWGGCQVEAOU-UHFFFAOYSA-N 455.736 3.831 50 10 JHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1Br 14654236 PGWMYBRTCQPGJF-UHFFFAOYSA-N 478.412 3.752 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1Br 14661542 MBJKTCLZEVBDID-UHFFFAOYSA-N 457.324 3.631 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Nc3nc4c(C)cccc4s3)c2[N+](=O)[O-])cc1 40650418 CPEFIGVFOJJSEQ-UHFFFAOYSA-N 451.468 3.812 50 10 JHGE C#CCOc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 58893801 HZHVCIZMIVOLTG-ORQKMDSUSA-N 459.340 3.824 50 10 JHGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)CCC(=O)NCc2ccccc2)c1 66201419 NTFMYCZECMEDFA-UHFFFAOYSA-N 453.583 3.733 50 10 JHGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)c1C 109764916 NWGMXMURGSYNDC-OAHLLOKOSA-N 498.381 3.753 50 10 JHGE CCOc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(OCC)cc2)cc1 254490261 UCKZAQXXHXKASG-UHFFFAOYSA-N 474.517 3.825 50 10 JHGE CCOc1ccc(C=NNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 254522505 CIYWDZNTVUUGKY-UHFFFAOYSA-N 457.596 3.867 50 10 JHGE COC(=O)[C@H](CCBr)Oc1c(Br)cc([N+](=O)[O-])cc1Br 386903018 BIHJWMWMZLHCSA-VIFPVBQESA-N 475.915 3.825 50 10 JHGE FC(F)(F)Oc1ncc(CCl)c(I)c1I 396154891 CTVFQRIFVBBHLO-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE COc1ccc(C)cc1NC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761409159 CQJFDIDMYUTZPL-XSFVSMFZSA-N 469.501 3.870 50 10 JHGE COc1cccc(C(=O)NCCNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 899892605 FCVRFGGWXSZWHN-KGENOOAVSA-N 460.509 3.695 50 10 JHGE Cc1ccc(C(C)C)cc1OCC(=O)NN=Cc1cc(Br)ccc1OCC(=O)O 1082990353 OJBZOPOIRMHSQE-UHFFFAOYSA-N 463.328 3.873 50 10 JHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC)cc2)c2ccc(C)cc2)cc1 1083913658 MLLCBBKHSRKLNR-UHFFFAOYSA-N 481.574 3.748 50 10 JHGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)c3cc(C)n(-c4ccccc4)c3C)n[nH]2)c1C 1290210292 JDJRFPVQNLQOJA-UHFFFAOYSA-N 457.538 3.558 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860769885 KKJLQFNOKAVOOJ-UHFFFAOYSA-N 460.559 3.604 50 10 JHGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860770142 VEEDLCILZJNPSW-OUKQBFOZSA-N 488.569 3.775 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2ccc(Br)cc2Br)C1 1899906171 KPVURWQQIMTKBD-SWZMTVOYSA-N 455.972 3.884 50 10 JHGE C[C@H]1CN(c2ncc(I)cc2Br)C[C@H](CCBr)O1 2069532865 XMSUTZIRKJSWPI-WPRPVWTQSA-N 489.977 3.827 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)c2ccc(Br)cc2Br)CCO1 2117533837 QJYAGMGCDUDKQH-QPUJVOFHSA-N 455.972 3.836 50 10 JHGE O=C(NC[C@@H](Br)CC(F)(F)F)c1cc(I)ccc1F 2119071539 SVMLLTHPYHVXAU-LURJTMIESA-N 453.999 3.876 50 10 JHGE O=C(c1ccc(I)cc1)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2163353299 NEWZJZGYDVAWBW-KOLCDFICSA-N 462.047 3.937 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[C@@H]1Br 2221685045 ZRZQRMXWZFWDRF-AEGPPILISA-N 476.209 3.785 50 10 JHGE O=C(NCC1(CBr)CC(F)(F)C1)c1c(F)cccc1I 2282804207 BOMVNJXUQLSEKO-UHFFFAOYSA-N 462.047 3.971 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CCc2ncsc2C1 2287214405 VMDSKNOLGFXZHJ-UHFFFAOYSA-N 458.222 3.609 50 10 JHGE N#CC(=C(O)[C@@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1)c1nc(=O)c2ccccc2s1 2314479301 MKGCDRKRORXHDE-INIZCTEOSA-N 451.891 3.934 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCC[C@@H](CBr)C1 2364196128 XAVXHRPXYGVIJS-MSOLQXFVSA-N 499.471 3.964 50 10 JHGE COc1cc(/C=N\NC(=O)CNc2cc(Br)c(C)c(Br)c2)ccc1O 33154842 IQMYHKXDFXAZOQ-WNFQYIGGSA-N 471.149 3.796 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 35447508 MGLDNLOKTBHLIK-PGMHBOJBSA-N 487.585 3.533 50 10 JHGE O=C(NNc1ncnc(NCc2cccnc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40585506 KULUSPGEKMENRK-UHFFFAOYSA-N 455.478 3.667 50 10 JHGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2Br)cc(OC)c1O 66200745 VWPXLBCERIBCOR-LSHDLFTRSA-N 451.317 3.824 50 10 JHGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 102858607 WWLHVOYEBQZQKR-WLGHQHAYSA-N 482.565 3.903 50 10 JHGE C/C(CC(=O)NCc1ccc(Cl)cc1)=N/NC(=O)c1ccc(I)cc1 103906505 JOFXHWRETIHKSR-UUYOSTAYSA-N 469.710 3.757 50 10 JHGE COC[C@@H](Br)CCNS(=O)(=O)c1cc(Br)c(C)cc1Br 230143551 MLGMSICAFANSAE-VIFPVBQESA-N 494.043 3.598 50 10 JHGE CS(=O)(=O)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)cc1 725417331 OUPOKWJGCPUAFP-PKOBYXMFSA-N 452.370 3.837 50 10 JHGE O=C(NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1cccc(OC(F)F)c1 728598712 MNVFWYUDWZRBGA-GOSISDBHSA-N 478.883 3.744 50 10 JHGE Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)NC(C)C)cc2)c1C 745145935 ICLMHCXJZVSDSE-UHFFFAOYSA-N 460.600 3.754 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3)cc2)cc1 1858993155 MVGTYIVMAJZNTQ-UHFFFAOYSA-N 494.598 3.672 50 10 JHGE CCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1O 1865700820 FCHGXNMUCMGCDE-CYBMUJFWSA-N 454.122 3.660 50 10 JHGE CC(C)(C)CN(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029232978 NQOXXVSTYDJTHH-UHFFFAOYSA-N 473.433 3.526 50 10 JHGE C[C@@H](Cl)[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CCO1 2117517700 RZOSKMVTPCBTND-PRHODGIISA-N 458.521 3.522 50 10 JHGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Br)c1cc(I)cc2c1OCC2 2161773006 BAPRQHYPBVSZQB-WXHSDQCUSA-N 457.052 3.944 50 10 JHGE CC(C)n1nc(Br)cc1C[C@H](Br)CN1C(=O)c2ccccc2C1=O 2209407221 SCRPQBDHBFRMHS-NSHDSACASA-N 455.150 3.829 50 10 JHGE CCOc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314621106 YYCAGPBKPITYIG-UHFFFAOYSA-N 454.523 3.666 50 10 JHGE CC(C)(CI)CN1CC[C@@H](N2CCC(NC(=O)OC(C)(C)C)CC2)C1 2326673947 XIKMAKWLTIVYCQ-MRXNPFEDSA-N 465.420 3.511 50 10 JHGE Clc1ccc(CN2C[C@@H]3COC[C@@]3(CBr)C2)cc1I 2337217767 ATAOKVMHBZEQBQ-BXUZGUMPSA-N 456.549 3.788 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](CBr)CC(C)(C)C1 2364024054 IDEYHLLFYHFGJK-MRVPVSSYSA-N 472.019 3.828 50 10 JHGE CCOCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 9825619 ITVSMXDELJQIDV-UHFFFAOYSA-N 453.539 3.696 50 10 JHGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039498 GBHJQBDJMCXQMM-UHFFFAOYSA-N 481.936 3.978 50 10 JHGE CCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 38180338 HUWVMPXHNFWAOR-FAJYDZGRSA-N 484.984 3.916 50 10 JHGE O=C(NNc1ncnc(NCCc2ccccc2)c1[N+](=O)[O-])c1ccccc1Br 40610283 MVNXSVJIPVZEJG-UHFFFAOYSA-N 457.288 3.559 50 10 JHGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1CCN(Cc2ccccc2)CC1 217253909 DDNPTWLKCXEITJ-MNDPQUGUSA-N 486.357 3.763 50 10 JHGE Cc1occc1C(=O)NC1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)CC1 727332444 IHTSBUORKKDJBD-LJJBLSSYSA-N 464.566 3.513 50 10 JHGE CN(C)c1cccc(C(=O)NNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c1 818027558 BWVSUIOJRYUIDO-UYRXBGFRSA-N 487.951 3.551 50 10 JHGE C=CCOc1c(Br)cc(C=NNC(=O)c2ccc(CN(C)C)o2)cc1OCC 916365168 KNSIJTWLIRFWJP-UHFFFAOYSA-N 450.333 3.831 50 10 JHGE CC(=NNC(=O)Cc1csc(N2CCOCC2)n1)c1cc2cc(Br)ccc2o1 917566639 TYMWXYIANSNPSO-UHFFFAOYSA-N 463.357 3.571 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)O[C@H](C)c2c(F)cccc2F)cc1 918948926 FEAVHUQHROWIEI-UHVIJJLKSA-N 480.471 3.924 50 10 JHGE COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)NN=Cc2ccc(Cl)cc2Cl)ccc1O 1084230775 FSHPKCIRGDJMGI-SFHVURJKSA-N 465.362 3.651 50 10 JHGE C=C(C)[C@H](NC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccc(F)c(F)c1 1478470549 GUOMXFGTWPGPKE-IBGZPJMESA-N 455.465 3.517 50 10 JHGE CCOC(=O)c1cc(I)c(OC(F)(F)F)c(CBr)n1 1848387821 YHVVSGSBBVINTC-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CCc1ccc(-c2ccc(C(=O)NNC(=O)CCCS(=O)(=O)c3ccc(C)cc3)c(C)n2)cc1 1865759053 ZYNXZNJOWLCBKH-UHFFFAOYSA-N 479.602 3.943 50 10 JHGE COC1CC(CBr)(NC(=O)c2cc(Cl)ccc2I)C1 1899799465 FTJHFUWDXZNXLC-UHFFFAOYSA-N 458.521 3.617 50 10 JHGE C[C@H]([C@@H](Br)c1cc(Br)ccc1Br)S(=O)(=O)N(C)C 2029076317 YHIUGGRBRLUABI-RDDDGLTNSA-N 464.017 3.928 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CCOC[C@@H](CBr)C1 2036957605 JBGBECXXBYVEFJ-ZETCQYMHSA-N 462.001 3.757 50 10 JHGE Cc1ccc(N2C(=O)C(=CNNC(=O)C(=O)Nc3ccc(C)c(C)c3)c3ccccc3C2=O)c(C)c1 2040475656 ONSPZUOULZIZSN-UHFFFAOYSA-N 482.540 3.708 50 10 JHGE CCOC(=O)c1c(I)ccc(CBr)c1I 2055232026 FLPQUEIVTCIBMI-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CC12CCC(Cl)CC2 2157511857 XWVUZXLICVUCDB-CSZIGFGKSA-N 453.004 3.560 50 10 JHGE O=C(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1cccc(I)c1 2192578852 IRTBHKDGPFRMMA-CMPLNLGQSA-N 462.047 3.985 50 10 JHGE F[C@H]1C[C@@H](Br)CN(c2ncc(I)cc2Br)C1 2210715376 SRDDEBKNBKAQNG-RQJHMYQMSA-N 463.914 3.760 50 10 JHGE COc1cc(Br)c(C=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OC 2297382490 HUUMFVVEUUSZGP-UHFFFAOYSA-N 490.266 3.691 50 10 JHGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1cc(Cl)ccc1Cl 2324391796 URTLKADWJBXFGK-UHFFFAOYSA-N 459.333 3.886 50 10 JHGE CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703495 JZTILFQPTRYQDS-UHFFFAOYSA-N 464.453 3.751 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NC[C@]3(CBr)CC3(F)F)CC2)C1 2351888947 LYZFRCMMWLBGGC-MRXNPFEDSA-N 457.381 3.906 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](NCC2CC(Br)C2)(C(=O)O)[C@@H]1C(F)(F)F 2377466275 YTHOFZFOUMOGII-YRGDBFGRSA-N 459.303 3.535 50 10 JHGE CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2cccc(OC)c2)ccc1OC 20438274 QQQZJYUVUFQYCA-KOSHJBKYSA-N 452.532 3.746 50 10 JHGE CCCCCN1C(=O)/C(=N/NC(=O)COc2ccc(Br)cc2)c2cc(OC)ccc21 33959378 CIONBVWFOZFMQW-NJNXFGOHSA-N 474.355 3.894 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)C)cc1 41014248 FDPDHEONGGKVLO-KGENOOAVSA-N 464.518 3.569 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1 48572128 HRYQWQZMTCOZFL-MUFRIFMGSA-N 467.529 3.736 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)c1cc2ccccc2cc1O 59159551 DSASVRUCSSOJNW-WYMPLXKRSA-N 474.433 3.928 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccc(C(=O)O)cc2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384955 ZAQXXSGJHRYIDR-OYCFWJGQSA-N 463.346 3.635 50 10 JHGE COc1ccc(C=NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1OCc1ccccc1 254479748 WZIUWDIVQFORGZ-UHFFFAOYSA-N 486.616 3.851 50 10 JHGE COc1ccc(CC(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 254749581 RVLGDPPFSBBPCN-NGOKVRLYSA-N 474.605 3.963 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCSC[C@H]1CBr 387798478 PCDNOKXHCORWMY-ZCFIWIBFSA-N 455.646 3.665 50 10 JHGE O=C(NCCCOCCBr)c1ccc(I)c(Br)c1 721615659 CWYYIESECRNZLW-UHFFFAOYSA-N 490.961 3.585 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1 725400991 IHIIYJNYTLKPPF-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)c2C)cc1 1084067080 XEKLWOZDUOJBHR-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE COc1ccc(Br)cc1C=NNC(=O)c1ccccc1I 1084327984 QSXOSZPYKVOTKL-UHFFFAOYSA-N 459.081 3.826 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OC)c(OC)c2)cc1 1084647627 FCIFRDSZTQMNKV-GOSISDBHSA-N 465.344 3.829 50 10 JHGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3cccc(OC)c3)nc2C)CC1=O 1865758773 QNLHNUXRQMWCEO-NRFANRHFSA-N 486.572 3.751 50 10 JHGE CC(C)(C)OC(=O)N(CCC(=O)NCC(=O)Nc1ccc(SC#N)cc1)Cc1ccccn1 1868150170 SIMCPRSARRHYRQ-UHFFFAOYSA-N 469.567 3.537 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 1882323055 KAQAEUZLFLOAIP-MSOLQXFVSA-N 455.646 3.940 50 10 JHGE C[C@@H]([C@@H](Br)c1cc(Cl)ccc1I)S(=O)(=O)N(C)C 2029073631 FVUOJDWYYIDDLF-WRWORJQWSA-N 466.566 3.661 50 10 JHGE C[C@]1(CBr)COCCN(c2ncc(I)cc2Br)C1 2079152493 VGNPOGLKDQQRJP-GFCCVEGCSA-N 489.977 3.687 50 10 JHGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2153994974 FZUFJUKDNFOZDI-HZPDHXFCSA-N 491.860 3.523 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC([C@@H](F)CBr)C2)cc1Br 2166901587 VGEZBNFLFVESFJ-NSHDSACASA-N 494.018 3.874 50 10 JHGE O=S(=O)(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1cc(Br)cs1 2192576404 OWAKZZFGTOOILU-APPZFPTMSA-N 457.131 3.752 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268358596 ZJFXAVYATGDCGU-VHSXEESVSA-N 458.521 3.569 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2283653277 DWXROIAYGUKFTF-ZWKOPEQDSA-N 470.532 3.712 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295308999 DFTAANFQZVCQST-STQMWFEESA-N 469.999 3.765 50 10 JHGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)cc1 2296544503 QRYQLVOLJDMMMT-UHFFFAOYSA-N 460.534 3.887 50 10 JHGE O=C(C=Cc1cccs1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 2313620002 HZBRTRWUPCCOIQ-UHFFFAOYSA-N 456.593 3.616 50 10 JHGE N#CC(=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H]1CCS(=O)(=O)C1 2314476115 JBEYILJEBXCFHZ-ZCUVORPTSA-N 490.629 3.550 50 10 JHGE CC[C@@H](C)[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316816125 WTFIWZQCEWZZDJ-QAPCUYQASA-N 473.433 3.572 50 10 JHGE CC(=O)Oc1ccc(C=NNC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 2323651959 ZAZZXSHERHAHKH-UHFFFAOYSA-N 458.301 3.893 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC(C)(C)[C@H](CBr)C1 2364016992 FQBLSKBBSOGPNF-MRVPVSSYSA-N 472.019 3.828 50 10 JHGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364207048 YDLIJTQFOXRFSN-LNKGRISISA-N 497.455 3.809 50 10 JHGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc21 40530314 ZPVCRGNVPGXBSW-ZEQRLZLVSA-N 456.454 3.659 50 10 JHGE COc1cccc(C(C)=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1 254411841 QVRFWMYZNZOQIW-UHFFFAOYSA-N 451.548 3.815 50 10 JHGE COc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)cc1 254591743 PBUOMOLPZZJPDJ-HAPLTBRGSA-N 460.486 3.852 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 709788720 UOZLQUUZWXVREP-RNFRBKRXSA-N 457.131 3.705 50 10 JHGE COC(=O)COc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084587768 ICNUACQOIXPSIR-UHFFFAOYSA-N 461.268 3.520 50 10 JHGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc2)cc1OC 1615099392 SHGQBOGTVAAKDB-CPNJWEJPSA-N 468.465 3.970 50 10 JHGE CN1CC[C@H]([C@H](Br)c2csc(Br)c2Br)S1(=O)=O 1945187008 PILFIKYBTYSHGN-RNFRBKRXSA-N 468.030 3.743 50 10 JHGE O=C(N[C@H](CBr)C1CC1)c1cc(I)ccc1Br 1945361033 IYEBCGAMMARDKD-LLVKDONJSA-N 472.946 3.957 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCC[C@@H](CI)O2)CC12CCOCC2 1949510064 FBEPDJLIJQVQNO-KSSFIOAISA-N 451.345 3.919 50 10 JHGE CN(Cc1c(Br)nnn1C)c1cccc(Br)c1CBr 2100249435 VCKCKHXHXUGWCY-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCC(OCCCl)CC1 2207273479 VJYGGEIJYKYTRY-UHFFFAOYSA-N 472.548 3.914 50 10 JHGE Cc1ccc(C(=O)N[C@@H](CI)C(C)C)cc1I 2212989838 BGEJQXABKGLZCE-LBPRGKRZSA-N 457.093 3.789 50 10 JHGE O=C(NC/C=C/CBr)c1cc(I)ccc1Br 2244759750 GWCWNXCDNUMVGV-OWOJBTEDSA-N 458.919 3.735 50 10 JHGE CN([C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2)S(=O)(=O)c1ccc(CBr)cc1 2286984817 PDOFIQSPJOMPDW-MRXNPFEDSA-N 459.406 3.602 50 10 JHGE Cc1csc2nc(Cl)c(C=NNC(=O)Cn3cnc4scc(-c5ccccc5)c4c3=O)n12 2325903596 ZKWZDFGKSUTYON-UHFFFAOYSA-N 482.978 3.946 50 10 JHGE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2369477808 XQPHSVOYHAOXEJ-MRXNPFEDSA-N 457.346 3.552 50 10 JHGE COc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1I 12488049 IULLOUUZBBTOOC-UHFFFAOYSA-N 482.318 3.572 50 10 JHGE COc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14006416 YKKOHVYWBMKVFE-AWEZNQCLSA-N 479.371 3.749 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825281 VOSXXOVWYCSVLT-OVVQPSECSA-N 479.537 3.829 50 10 JHGE COc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1OC 48573064 UKYLINYTQXTNRX-OKCVXOCRSA-N 497.555 3.745 50 10 JHGE CC(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)(c2ccccc2)CC1 105616384 IIBZLNAJLWDCIS-UHFFFAOYSA-N 482.540 3.836 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)c2ccc(Br)cc2)C1 118671762 XVMYDZLIULBUKW-LLVKDONJSA-N 475.040 3.911 50 10 JHGE C[C@H](Br)CCNC(=O)c1cc(I)ccc1Br 235387990 GICSWGJZAOUIQN-ZETCQYMHSA-N 460.935 3.957 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H](CCl)O1 235648072 CHDANYKNSRSMEU-WCBMZHEXSA-N 458.521 3.522 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCS[C@@H](CCl)C1 721595249 UXTQENAYMYKNTR-VIFPVBQESA-N 460.562 3.850 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)O[C@H](C)c2c(F)cccc2F)cc1 918948927 FEAVHUQHROWIEI-YHZJOHHESA-N 480.471 3.924 50 10 JHGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3ccc4c(c3)OCO4)cc2)S(C)(=O)=O)cc1C 1083986959 QDAKBBMPWPOTDL-UHFFFAOYSA-N 479.558 3.762 50 10 JHGE C=C[C@@](C)(O)CC(=O)NNc1c(Br)cc(Br)cc1Br 1628687485 QHENQMPLULXCLH-GFCCVEGCSA-N 456.960 3.744 50 10 JHGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CNC(=O)c1ccccc1 1865758991 CTMUTZSULAQCLC-UHFFFAOYSA-N 457.317 3.555 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2n[nH]c3c2CCCC3)cc1 1866849958 LLPOBPXKXTZKML-OAQYLSRUSA-N 461.547 3.547 50 10 JHGE COCCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(CCOC)n2)C[C@H]1C 1868253664 PMMXIVXUNXNIHT-RTBURBONSA-N 470.643 3.918 50 10 JHGE O=S(=O)(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)[C@H]1C[C@H](OCc2ccccc2)C1 1877514769 VIQLXZYAJRNDHG-YHUYYLMFSA-N 456.324 3.617 50 10 JHGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 1984645457 MCTGFLWNPUCHLN-UHFFFAOYSA-N 491.455 3.936 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H](CCl)O1 2142285700 SVXDLONIBMGRQW-WPRPVWTQSA-N 458.521 3.522 50 10 JHGE O=C(N[C@@H]1CC[C@H]1CBr)c1ccc(Br)cc1I 2213305714 HQEUVLDXVFPQIL-WRWORJQWSA-N 472.946 3.957 50 10 JHGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCN2CCOCC2)cc1C 2296729453 LOIUTCOQUZRDFJ-UHFFFAOYSA-N 485.588 3.602 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)C=Cc3ccc([N+](=O)[O-])s3)c(C)n2)cc1OC 2321174551 MYODIRLZHSYCJA-UHFFFAOYSA-N 468.491 3.518 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2344139496 IIDWRBKOCYCBDH-FPCVCCKLSA-N 456.324 3.854 50 10 JHGE C=CC[C@]1(CCl)CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364190668 PIGCNZBPKLTTPL-JOCHJYFZSA-N 453.004 3.822 50 10 JHGE CO[C@]1(CBr)CCCN(C(=O)c2ccc(Cl)cc2I)C1 2365590305 FGRURWQSUMVDRN-AWEZNQCLSA-N 472.548 3.961 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](C2CCC(Cl)CC2)C1 2381286952 GTWIOVPVIXQSTG-LXPRWKDFSA-N 453.004 3.512 50 10 JHGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1C 10154298 WDJGCEGOXQXAIN-GOSISDBHSA-N 457.596 3.831 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 12570109 DPSWINPKYGHKAB-GFCCVEGCSA-N 497.404 3.835 50 10 JHGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)CCC(=O)Nc1ccccc1Cl 14016876 FIBFXGDLBZELMA-UHFFFAOYSA-N 473.957 3.552 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccccc1Br)c1ccc(OCc2ccccc2)cc1 14028050 JEYIYYRAJVBRHR-UHFFFAOYSA-N 484.375 3.977 50 10 JHGE CCOc1cccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 14042062 QXZAMPSZFJDKSB-UHFFFAOYSA-N 486.160 3.759 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OC)cc2OC)cc1 58892986 NSZLMMSZXKHKMR-QRAWFLTRSA-N 465.344 3.829 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 725759372 QUCAHZZRCGKOEQ-AQTBWJFISA-N 495.432 3.850 50 10 JHGE O=C(NNC(=O)[C@H]1CCCN1c1ncnc2sccc12)c1ccccc1OCc1ccc(F)cc1 728456746 WJIOZEDJJFMOHW-HXUWFJFHSA-N 491.548 3.839 50 10 JHGE C=CCn1c(S)nnc1Cc1csc(NC(=O)/C(C#N)=C\c2ccc(OCC)cc2)n1 1542720457 SYPWDKRXSWDTLJ-GDNBJRDFSA-N 452.565 3.744 50 10 JHGE O=C(Oc1ccc([N+](=O)[O-])cc1F)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1858627523 HBVWVNNKNFCDQR-UHFFFAOYSA-N 478.285 3.546 50 10 JHGE C[C@H]1Oc2ccc(C(=O)COc3cccnc3NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2N(C)C1=O 1858695002 RDHUFUAUDTUXMA-CQSZACIVSA-N 492.444 3.606 50 10 JHGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711624 CXUGBTRWOAGILI-FQEVSTJZSA-N 459.462 3.858 50 10 JHGE Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1C 1865851629 FNZOZPHCGXWQMY-UHFFFAOYSA-N 490.585 3.585 50 10 JHGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865852390 UTQVOUCMRDMNIJ-IKGGRYGDSA-N 496.633 3.882 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(-c3cccnc3)on2)cc1 1867165289 VKAZJCIDDMJJIV-NRFANRHFSA-N 485.525 3.995 50 10 JHGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 1872752694 ODWPHWPLZWMUGV-VLGSPTGOSA-N 455.517 3.618 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@@H](C(=O)NNc2ccccn2)C1 1873777109 ADVNSXVXNPAKMB-ZIAGYGMSSA-N 481.778 3.647 50 10 JHGE CN1CC[C@H]([C@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 1941948428 QAOTYXDHYSIEGD-HTQZYQBOSA-N 468.030 3.743 50 10 JHGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@H]1C[C@H]1Cl 1991444469 ZRJLSLCFVFCISJ-IFZYUDKTSA-N 491.993 3.799 50 10 JHGE CC[C@H](CBr)NC(=O)c1ccc(Br)cc1I 1995286265 QXHVWNSDBDFCCY-MRVPVSSYSA-N 460.935 3.957 50 10 JHGE O=C(CBr)c1ccc(I)c(S)c1I 2060149250 YHHHNYHRUSBWMY-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H]2CCO[C@]2(CBr)C1 2231353561 WIEGKZSBLLJPPG-JMCQJSRRSA-N 474.012 3.899 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CCl)C[C@@H]2CCCC[C@H]21 2240732527 GMCBXUATIMMGCU-ABSDTBQOSA-N 453.004 3.655 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](CBr)OCC12CC2 2283671619 YYJGRGVGXMRODW-JTQLQIEISA-N 470.532 3.713 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@]1(CBr)CCCO1 2295311020 FKKRYKKGFXUJDI-CQSZACIVSA-N 469.999 3.814 50 10 JHGE COc1cc(Br)c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313545826 IFWACXYLLSSTAD-UHFFFAOYSA-N 456.340 3.722 50 10 JHGE CC[C@H](CCCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827231 OVFYEMLAOVKEBJ-MRXNPFEDSA-N 473.433 3.716 50 10 JHGE N#CC(=CNc1ccccc1C(N)=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324607208 SVSDTPKYOQNYOZ-UHFFFAOYSA-N 465.557 3.539 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@@H]1CCCC[C@H]1Br 2338691088 OKSOUDWNTZCWPN-HTQZYQBOSA-N 457.992 3.723 50 10 JHGE C[C@@H](CCl)[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364209041 OJAGPTMXBJXJJZ-PXNSSMCTSA-N 455.020 3.902 50 10 JHGE CN1CCC(CBr)(NC(=O)c2cc(Cl)ccc2I)CC1 2380731186 YCMDTMQBDFUHLW-UHFFFAOYSA-N 471.564 3.534 50 10 JHGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)cc1 15243966 VCYFNRRPFAEKDM-UHFFFAOYSA-N 488.949 3.637 50 10 JHGE Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1C 15244092 LKOXJVYVLXULMS-UHFFFAOYSA-N 473.482 3.553 50 10 JHGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OC 33378115 OYZJWHKWRXFESL-OMYAATJGSA-N 462.458 3.695 50 10 JHGE Cc1cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)no1 40823129 WITYKKMROWSKRJ-ZVHZXABRSA-N 472.299 3.765 50 10 JHGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCCOC)c(=O)oc3c2)cc1 40894497 VTXXXJDVFOTXCS-XSFVSMFZSA-N 490.512 3.861 50 10 JHGE c1ccc([Si](OCCc2ccncc2)(OCCc2ccncc2)OCCc2ccncc2)cc1 195806467 IRPSXWJZNUUQNB-UHFFFAOYSA-N 471.633 3.795 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccn3C)n2-c2ccc(C)cc2)cc1 254745857 AMFQSYUOMOULEC-UHFFFAOYSA-N 460.563 3.832 50 10 JHGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(-c4ccccc4)cc3)nnn2-c2nonc2N)cc1 254826678 IAZBNYNNWINPCS-UHFFFAOYSA-N 494.515 3.729 50 10 JHGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OC(C)C 254867659 LDNDPMBWRUCGFI-HNNXBMFYSA-N 468.579 3.529 50 10 JHGE Cn1c(=O)c2ccc3c4ccc5c(=O)n(CCCl)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 575419643 GGPBEQJGKCOSMB-UHFFFAOYSA-N 466.880 3.739 50 10 JHGE N#C/C(=C\c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 1083975000 WXRDSVIKAAEDHJ-VGOFMYFVSA-N 455.268 3.810 50 10 JHGE CCCCOc1ccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 1084416598 AZERZYRESKWUIZ-UHFFFAOYSA-N 482.400 3.544 50 10 JHGE CCOC(=O)Cn1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)c2ccccc21 1084484641 PYDNCXIPGAVUOC-HSZRJFAPSA-N 451.523 3.567 50 10 JHGE Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 1087382464 VFIBWRAIHDQMAJ-KHPPLWFESA-N 476.430 3.887 50 10 JHGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccccc1I 1558144355 OMFTYZSXCNIBGQ-HNNXBMFYSA-N 459.328 3.984 50 10 JHGE CCOC(=O)c1cc(OC(F)(F)F)c(I)c(CBr)n1 1848387622 ILEPETCWIRPCGV-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc3c(c2)OCCO3)cc1 1865697868 DJEJBSMHOGHSJW-GOSISDBHSA-N 470.407 3.889 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Cl)C(F)(F)C1 2034595572 PCJOEBVVIIZCKL-SECBINFHSA-N 450.448 3.752 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2csc(Br)c2Br)CCO1 2053845004 KUGRYISUWOJRRF-SVRRBLITSA-N 462.001 3.898 50 10 JHGE COC(=O)Cc1ccc(I)c(OC(F)(F)F)c1CBr 2055371469 ZHWFKXQNDTYECJ-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE CCN1CCC[C@H]([C@@H](Br)c2ccc(I)cc2)S1(=O)=O 2089536889 VNDKDSOQUYSZGY-OLZOCXBDSA-N 458.159 3.541 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)c2cccc(Br)c2Br)C1 2092331194 REBCPWWUGYYJDY-CYBMUJFWSA-N 455.972 3.838 50 10 JHGE O=S(=O)(NCC1(F)CC(CBr)C1)c1cc(Cl)c(Br)s1 2112239427 KTXZFENZBZIHKE-UHFFFAOYSA-N 455.596 3.956 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(CC2(CBr)CCOCC2)CC[C@H]1C(F)(F)F 2163059527 UKCVUQUEQQQWNW-ZIAGYGMSSA-N 459.347 3.956 50 10 JHGE CC[C@]1(CCl)COCCN1C(=O)c1cc(Br)ccc1I 2169036096 IYOAVDYCVDFSCE-AWEZNQCLSA-N 472.548 3.914 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC[C@@H](OCCBr)C1 2170221641 RTVMPLYMAZDWRF-MRVPVSSYSA-N 467.632 3.729 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1Cl)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179789094 LWCSUCONLDKBNQ-ROUUACIJSA-N 469.832 3.987 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@H]1C[C@@H](Br)C1 2221679070 DSDLTVCBZMZWCB-QLFBSQMISA-N 476.209 3.927 50 10 JHGE CN(Cc1ccccc1I)S(=O)(=O)c1cc(CBr)co1 2280342028 HHDDITOSPMKREE-UHFFFAOYSA-N 470.126 3.600 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)Cc2cc(Br)cc(Br)c2)C[C@@H]1Br 2295312668 ZWRRUIZFLCHHNQ-RWMBFGLXSA-N 469.999 3.811 50 10 JHGE CCOc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 2297708243 PUHNFDWRFAUILU-UHFFFAOYSA-N 480.502 3.682 50 10 JHGE CCCN(CCOCCI)C1CCC(NC(=O)OC(C)(C)C)CC1 2306803262 WUNZXKCZFZBMPC-UHFFFAOYSA-N 454.393 3.986 50 10 JHGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1cccc(Br)c1 2314737365 BTDSLPMVKDEIMI-UHFFFAOYSA-N 473.323 3.874 50 10 JHGE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(CCOCCI)C1 2326652630 AMZGGKMCQMIPGZ-IAGOWNOFSA-N 466.404 3.940 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@H](CBr)CC1 2338691414 RPJMFHOMDAAHOJ-QMMMGPOBSA-N 457.992 3.582 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)c1ccc(Cl)cc1I 2340069271 XGXFDDOQWMXYKC-CYBMUJFWSA-N 458.521 3.571 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H](Br)c1ccccc1 2364195453 QCPNUDVAKBGFRV-FQEVSTJZSA-N 493.423 3.899 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H](CCCl)CC1 2364218317 YUJWVUCGVXVLGY-GOSISDBHSA-N 455.020 3.904 50 10 JHGE COc1ccc(C(=O)N2CCC[C@@H](C(=O)NNC(=O)c3cn(C)c4ccccc34)C2)c2ccccc12 10736935 PTZLTDQWIMNXFT-GOSISDBHSA-N 484.556 3.654 50 10 JHGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502759 WOXHAWQLORFKSF-UHFFFAOYSA-N 453.951 3.573 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1 13979029 QEMAKUNHGQGSIJ-UHFFFAOYSA-N 497.404 3.693 50 10 JHGE CC(=O)N[C@H](CC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 15542942 PTZSPPHIADQPPI-XMMPIXPASA-N 467.529 3.568 50 10 JHGE O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C/c1cc(Br)ccc1O 27499839 YLQXQODLRJUYFW-WYMPLXKRSA-N 450.296 3.717 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)OCC 58895306 FAGIRCKGABJYFS-MPTKSEEOSA-N 498.576 3.728 50 10 JHGE O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1O 59462384 BDOAWQDMDFHJOB-QPJQQBGISA-N 461.194 3.644 50 10 JHGE O=C(N/N=C/c1ccc(O)c(I)c1)Nc1ccc(Br)cc1 59597661 JIDUCQWQGIVBOY-CAOOACKPSA-N 460.069 3.915 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc4c(c3)OCO4)cc2OC)cc1 254397450 BBMVHXTWWFZIMG-UHFFFAOYSA-N 462.458 3.806 50 10 JHGE COC(=O)COc1ccc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 254398263 MPDGZYJKIPIYQG-UHFFFAOYSA-N 457.530 3.561 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccc(OC)cc2)ccc1OC(=O)c1ccc(OC)cc1 254883521 JSVCAXUXZHZNOC-UHFFFAOYSA-N 478.501 3.851 50 10 JHGE CCn1c(SCC(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 263632090 BRHAHRWMYXBSMZ-BPKGOOPWSA-N 466.523 3.789 50 10 JHGE O=C(NC[C@]1(CBr)CCCOC1)c1ccc(I)c(Cl)c1 700914794 ZSOWJGURWZETKC-CQSZACIVSA-N 472.548 3.866 50 10 JHGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cc1ccccc1F 731366354 MABIPBUBVLWIGT-SFHVURJKSA-N 454.329 3.667 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)CSc2nc3ccccc3[nH]2)cc1 1083932464 VLCPIYGZFKBMDE-UHFFFAOYSA-N 480.571 3.881 50 10 JHGE CC(=O)c1ncc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)s1 1306285742 HIMVDNHQMKXBFV-UHFFFAOYSA-N 451.533 3.589 50 10 JHGE Nc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1[N+](=O)[O-] 1614629423 IXJSSQFBTANXQE-JKSUJKDBSA-N 481.290 3.964 50 10 JHGE CC(=O)c1cc(C(=O)NN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)ccc1OC(C)C 1648583210 VCOGUDPSOSEPQC-UHFFFAOYSA-N 459.428 3.726 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)C1CCOCC1 1684188331 NHMUHJXSYWVVFP-QFIPXVFZSA-N 455.942 3.600 50 10 JHGE FC1(F)CN(c2ncc(I)cc2Br)C[C@@H]1Br 1988537013 WNWRFGVFROHITH-ZETCQYMHSA-N 467.877 3.668 50 10 JHGE CCN(CC)CCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2007038045 XUZWFVXJDWWHBT-UHFFFAOYSA-N 454.393 3.940 50 10 JHGE Cn1c(C(C#N)=Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)nc2ccccc21 2040446440 HLBGGEVMRPZTJR-UHFFFAOYSA-N 474.542 3.918 50 10 JHGE CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 2059028443 NLCXKJRYRGAFTP-OEAKJJBVSA-N 456.549 3.661 50 10 JHGE O=C(c1csc(I)c1)N1C[C@@H](CBr)OC2(CCC2)C1 2109478966 OUJNSRVAJREOEG-SNVBAGLBSA-N 456.143 3.511 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1cc(Br)cc(Br)c1 2178908353 WLXSBNGTSHECQA-STQMWFEESA-N 469.015 3.751 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@@H](CBr)CCC12CCC2 2205773824 UUMIPDPZJOKFAO-LLVKDONJSA-N 450.114 3.919 50 10 JHGE COCCN(C[C@@H](C)Br)S(=O)(=O)c1cc(Cl)c(Br)s1 2272401657 HHVAJZVUQJQKQZ-SSDOTTSWSA-N 455.621 3.585 50 10 JHGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNCCc2ccc(Br)cc2)cc1OC 2325051820 UATSOCKODJPUNX-HNNXBMFYSA-N 458.356 3.883 50 10 JHGE CCCOc1ccccc1C=CC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 2325885329 ZLXQQOOXGXKEJU-INIZCTEOSA-N 480.590 3.547 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2355687596 JZJUSRLNAJMUTL-ZWKOPEQDSA-N 467.983 3.694 50 10 JHGE COC[C@]1(CBr)C=CCN1C(=O)c1ccc(Cl)c(I)c1 2379848276 VLAHIGCHTKFKNC-CQSZACIVSA-N 470.532 3.737 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334287 UZXDVUOJPAVVRS-UHFFFAOYSA-N 477.586 3.585 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 13976593 FPMBWFKLBWTMGK-OVCLIPMQSA-N 488.569 3.605 50 10 JHGE O=C(C(Cl)Cl)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 95535892 BWEJOYNMRHYPTK-UHFFFAOYSA-N 460.152 3.550 50 10 JHGE COc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)c(C)c2)c([N+](=O)[O-])c1 100969902 SMPQYWIRGYFUHB-YDZHTSKRSA-N 493.314 3.574 50 10 JHGE COc1cc(N/C=C2/C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)cc(OC)c1OC 102676114 ZRBMTOLFIPIWCG-RCCKNPSSSA-N 486.528 3.941 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(CCc3ccc(OC)cc3)CC2)c1C 109297569 FVQDDXLIAYVLQJ-GPXZHFRMSA-N 464.610 3.615 50 10 JHGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OC 206500461 BUEWHTDHNPQRFJ-NTCPEWOASA-N 450.491 3.763 50 10 JHGE CCOc1ccc(CCN/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1OCC 217173857 UZSUTRRUSWFDFP-QUWSGOTNSA-N 467.566 3.918 50 10 JHGE CCCOc1ccc(-c2c(C(=O)NN=C(CC)c3ccc(C)cc3)nnn2-c2nonc2N)cc1 254827342 RSLKPNDLGKNKAN-UHFFFAOYSA-N 474.525 3.541 50 10 JHGE O=C(NN=C1CC(=O)c2ccccc21)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 254876831 XPJARKJHYYAFLI-UHFFFAOYSA-N 498.358 3.970 50 10 JHGE CO[C@@](C)(CBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 702514582 QKBCYDMNEAADMV-NSHDSACASA-N 470.010 3.834 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)NCCCNC(=O)c2ccc(Br)cc2)cc1 726711497 OJHKDZHFQIUPEJ-UHFFFAOYSA-N 475.387 3.511 50 10 JHGE O=C(CC1(CC(=O)NNC(=O)c2ccc(Cl)cc2)CCCC1)NNC(=O)c1ccc(Cl)cc1 729822712 FEQMXPJQNLZLHF-UHFFFAOYSA-N 491.375 3.556 50 10 JHGE COc1ccccc1NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761396055 BIWHBCVHKUGWKO-BAOGPQIGSA-N 469.501 3.950 50 10 JHGE CC(C)C[C@@H](N)C(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084492913 SAESEZNLKXOARB-LJQANCHMSA-N 490.345 3.565 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3ccc(C)c(F)c3)cc2)cc1 1301448258 BKMGMPVFPQYMBZ-UHFFFAOYSA-N 455.511 3.572 50 10 JHGE N#CSCC(=O)Nc1nc2c(I)cc(Br)cc2s1 1615891179 RPDTVUFJGWLQMH-UHFFFAOYSA-N 454.112 3.816 50 10 JHGE O=C(Nc1nnc(CCl)s1)c1cc(O)c2cc(I)cc(F)c2n1 1866529280 XQOBWZOHOTZBNK-UHFFFAOYSA-N 464.647 3.527 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@H]2[C@@H]1CBr 1905823776 RAFUVYLHPIHCBE-NMLBEHRDSA-N 474.012 3.616 50 10 JHGE CC1(C)CC[C@H](Cl)[C@@H](CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1927052272 AGUFHHROGSLHGM-APWZRJJASA-N 455.020 3.806 50 10 JHGE C[C@@H](CBr)N(C)C(=O)c1ccc(Br)cc1I 1995286730 XRPCHUHBRXXLHD-ZETCQYMHSA-N 460.935 3.909 50 10 JHGE C[C@@H](Br)CN1CCN(C(=O)c2scc(Br)c2Br)CC1 2113863890 KGMLVIIOUNAAHJ-MRVPVSSYSA-N 475.044 3.814 50 10 JHGE C[P@@]1(=O)C[C@H](NC(=O)c2cc(Br)ccc2I)[C@@H](Cl)C1 2121338825 VSIWADKFHKWUAA-KKRWKGTOSA-N 476.476 3.766 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1CCCN(Cc2ccccc2)CCC1 2123243022 DQGSTUGOLVZFND-UHFFFAOYSA-N 457.459 3.972 50 10 JHGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2ccc(CBr)cn2)C1 2179809884 ZIMNSBATSPVREE-DLBZAZTESA-N 452.418 3.508 50 10 JHGE COc1cc(CBr)ccc1S(=O)(=O)N(C)C1CC(OCc2ccccc2)C1 2179858632 RBZORZGIBMARJM-UHFFFAOYSA-N 454.386 3.958 50 10 JHGE Cc1cccc(C(=O)N2CC[C@@H](OCCCBr)C2)c1I 2207046991 JUJRYIBNKCMOMZ-GFCCVEGCSA-N 452.130 3.616 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)Cc1cccc(Br)c1 2226100843 DCMGSJJXUYZLOL-ZWNOBZJWSA-N 460.175 3.718 50 10 JHGE COc1ccc(Br)cc1S(=O)(=O)N(C)C[C@H](Cl)COCc1ccccc1 2227661564 DKBNWYBFUXHHRH-INIZCTEOSA-N 462.793 3.902 50 10 JHGE C[C@@H](Br)CN(CCC(C)(C)C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2272425945 MFVDFHILTUDLDM-MRXNPFEDSA-N 487.460 3.914 50 10 JHGE Cc1ccc(C(=O)NC[C@@H]2CC[C@H](CBr)CO2)cc1I 2279404609 AXJVBVKMLYFNER-YPMHNXCESA-N 452.130 3.520 50 10 JHGE CC(C)N(CCOCCI)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2306805559 UXTATXJAQFOKEA-MRXNPFEDSA-N 454.393 3.796 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CBr)c1ccccc1I 2336531688 LOVYJCSHBZKHFA-UHFFFAOYSA-N 453.999 3.687 50 10 JHGE CC(C)(C)C[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338848918 BKBRYMMECKELAW-INIZCTEOSA-N 487.460 3.962 50 10 JHGE Clc1ccc(CN[C@@H]2CCCN(CCBr)C2)c(I)c1 2341059694 NJVQEWWHDCZCKE-CYBMUJFWSA-N 457.581 3.894 50 10 JHGE CN(C[C@H](Cl)C1CCCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364208285 HMQSFDATNBIZHA-FQEVSTJZSA-N 455.020 3.902 50 10 JHGE O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2369432013 YNRSEOFQPMAPEV-HNNXBMFYSA-N 477.764 3.897 50 10 JHGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NNC(=S)NC(=O)c1ccco1 2751864 QACXPRBNOVEUOF-CQSZACIVSA-N 476.352 3.688 50 10 JHGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccccc1Cl 9231626 NHWIRUVMQAMSCZ-UHFFFAOYSA-N 455.736 3.831 50 10 JHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14036250 AJEUWASMUZKALB-UHFFFAOYSA-N 470.595 3.799 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1Br 14653060 WIOUAZOVTNQBIX-UHFFFAOYSA-N 455.736 3.977 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38688211 KLLMIMFYSOVOCC-GOTSBHOMSA-N 471.425 3.558 50 10 JHGE Cc1ccc(CNc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40650698 GXDQVDSMPBNOFO-UHFFFAOYSA-N 457.288 3.825 50 10 JHGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(OCC)cc1 101241795 XZYWCIGFNVWUNA-YWDBVWQESA-N 451.523 3.953 50 10 JHGE O=C(NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 252607612 HDDYNQURCVRKEM-UHFFFAOYSA-N 451.351 3.967 50 10 JHGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CCl)oc1Br 383191233 XMMMRTNMHGSGDB-HNNXBMFYSA-N 461.809 3.924 50 10 JHGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)CCCSc1nnc(N)s1 1084057756 LMQCTYDYLREEEA-UHFFFAOYSA-N 484.655 3.627 50 10 JHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)c2C)cc1 1084253219 QQVZHYHOZJDKNJ-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE O=C(O)COc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 1084397068 UIGIGSGZGRCWCI-INIZCTEOSA-N 469.719 3.530 50 10 JHGE C#CC[C@H](COC)NC(=O)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 1470960600 ZPFFJOCXWPHWIC-HSZRJFAPSA-N 457.530 3.915 50 10 JHGE CC(C)CCN1C(=O)C(=NNC(=O)CCCNC(=O)c2ccccc2Br)c2ccccc21 1772719823 ZNRRQINVIABCIM-UHFFFAOYSA-N 499.409 3.872 50 10 JHGE CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccc(OCCOc3ccccc3Cl)cc2)cc1 1858080665 MHOPFMZMOXFESN-UHFFFAOYSA-N 489.981 3.805 50 10 JHGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 1866214192 WISNNPAUZOAROQ-SAPNQHFASA-N 484.559 3.515 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)oc2Br)CCN1Cc1ccccc1 2059265069 OTJCPKXRKMSJTN-ZDUSSCGKSA-N 492.233 3.832 50 10 JHGE CCOc1c(I)ccc(I)c1C(=O)CBr 2060136905 KEEORJSTSRFMGE-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE O=S(=O)(c1ccc(Cl)c(Br)c1)N1C[C@H](Br)[C@H](Br)C1 2075314188 SLXRJINCBUHQLP-DTORHVGOSA-N 482.419 3.634 50 10 JHGE CN(C)CCN(CCBr)C(=O)c1c(Br)cccc1Br 2099354790 CBTSBMXCLQIDEJ-UHFFFAOYSA-N 457.004 3.610 50 10 JHGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2123230470 RBLNBHMWCLLMRJ-IRXDYDNUSA-N 455.443 3.846 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CC12CCC(Br)CC2 2157504398 QLAXHXRDIWOIRR-CSZIGFGKSA-N 497.455 3.716 50 10 JHGE CS(=O)(=O)C[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2250745703 PESNMOSKTPNJGD-YFKPBYRVSA-N 456.928 3.970 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)cc(B(O)O)c1 2268642513 FPWGYFBWGSHYNR-QYBDOPJKSA-N 486.377 3.567 50 10 JHGE CCOc1ccccc1NC(=O)C(C#N)=Cc1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 2293034735 AEZVJVWHDQQBPS-UHFFFAOYSA-N 450.480 3.819 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 2294168429 KJCLGWIHCDIGRL-NRFANRHFSA-N 451.479 3.775 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1cccc(Br)c1 2336536213 JBFQAQRHRRJWKB-UHFFFAOYSA-N 453.999 3.885 50 10 JHGE C[C@@H](CBr)N1CCN(Cc2cc(I)ccc2Cl)CC1 2352425609 IVMYORQMXUVOLH-NSHDSACASA-N 457.581 3.846 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(Br)c1 10401751 GTXRXCRGLJAOAN-JXMROGBWSA-N 476.327 3.894 50 10 JHGE COc1ccc(N[C@@H](C)C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 20311185 LBOYLXWMMVEKHA-YPZZKDGISA-N 471.149 3.877 50 10 JHGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)[C@@H](O)c1ccccc1 100451087 KVFNVKMRDBRJJZ-UPMFUBJASA-N 478.346 3.592 50 10 JHGE Cc1ccc(CNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 102618116 BDEUIGLZYZQLGU-GHVJWSGMSA-N 465.469 3.645 50 10 JHGE O=S(=O)(NCCCI)c1c(Cl)cc(Br)cc1Cl 229631371 LZHJTACKOUUJOC-UHFFFAOYSA-N 472.957 3.859 50 10 JHGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cccnc3)nnc2-c2ccccc2)cc1 254517892 GYMWVHKJEWXNRG-UHFFFAOYSA-N 458.547 3.970 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)cc1)Nc1ccccc1 1084010489 CVTKOHXAXLFJLT-UHFFFAOYSA-N 495.333 3.555 50 10 JHGE Cc1cc(I)ccc1N[C@@H](C)C(=O)NN=Cc1cc(Cl)ccc1O 1084077663 SPKMGGCFYXNGJZ-NSHDSACASA-N 457.699 3.909 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1084654724 ZQJGAEFMMMWZMZ-UHFFFAOYSA-N 496.545 3.729 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)OCCn2c(=O)oc3ccccc32)c(-c2ccccc2)n1 1122624277 DIKAEAIKCRQEFQ-XDJHFCHBSA-N 453.458 3.522 50 10 JHGE CC(=O)N1CCCc2cc(NC(=O)NNC(=O)[C@@H](C)Oc3c(C)cc(Cl)cc3C)ccc21 1623012708 AKAXZUVSBQTCGJ-OAHLLOKOSA-N 458.946 3.876 50 10 JHGE C=CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCC(=O)O)SC1=NNC(=O)Cc1ccccc1 1772718424 AEJCVTQQIDHXIQ-LMEPTBFJSA-N 485.949 3.536 50 10 JHGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1C[C@@H]1Br 1893149057 ZAYUWVPDRCRWAR-RANZSIQMSA-N 455.393 3.727 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCCl)Cc1ccccc1 1914609809 IMEKPXIBYYCJCK-UHFFFAOYSA-N 462.999 3.770 50 10 JHGE O=C(NC1CC(Br)C1)c1cc(Br)ccc1I 1986067558 KNFOWXHVUPPWBC-UHFFFAOYSA-N 458.919 3.709 50 10 JHGE F[C@H]1CN(c2ncc(I)cc2Br)C[C@H]1CBr 1988534877 QAKPNUOUQHJMOL-MUWHJKNJSA-N 463.914 3.618 50 10 JHGE O=S1(=O)C[C@H]2C([C@@H](Br)c3sc(Br)cc3Br)[C@@H]2C1 2006148208 JRXNKAIFCRCKDR-UDJQAZALSA-N 465.026 4.000 50 10 JHGE CO[C@@]1(CBr)CCCN(C(=O)c2ccc(I)c(C)c2)C1 2207101748 HTVJUBCOSPSKMV-OAHLLOKOSA-N 452.130 3.616 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCCI)CC12CCOCC2 2214705981 XJKVVGCLPKXBFG-OAHLLOKOSA-N 452.377 3.597 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(Br)c1O 2297382470 ZQBOGTFSUQPLJY-UHFFFAOYSA-N 483.322 3.507 50 10 JHGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl 2313616882 JHIBTHLKALOLME-UHFFFAOYSA-N 480.977 3.947 50 10 JHGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNC1CCN(C(=O)OC(C)(C)C)CC1 2318468023 IXDMEMULALJQFV-GOSISDBHSA-N 456.587 3.968 50 10 JHGE COc1cccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 2331249100 OIOMRLVILBBAAH-UHFFFAOYSA-N 462.443 3.816 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCOCCI)C[C@H]1c1ccccc1 2351585929 NDAJASIAPCOJCN-MSOLQXFVSA-N 474.383 3.678 50 10 JHGE N#CC1=C(N)C(C#N)(C#N)C2=CCN(C(=O)OCc3ccccc3)C[C@H]2[C@H]1c1cccc(F)c1 1073779 MXZIZHHQLCBZAP-GGAORHGYSA-N 453.477 3.888 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)cc1 10672274 QNHHJRMSWQLZAK-INIZCTEOSA-N 470.595 3.942 50 10 JHGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)c1 10672326 HMFVFBCSTRGQQA-LBPRGKRZSA-N 450.358 3.576 50 10 JHGE O=C(CCc1ccccc1)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 12570194 STRZNEPJERQDPU-UHFFFAOYSA-N 454.379 3.807 50 10 JHGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 13977050 KQLHNOKMUQBECB-UHFFFAOYSA-N 491.411 3.654 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38654507 VIEAVZKPTXUASJ-QHCPKHFHSA-N 488.412 3.706 50 10 JHGE Cc1c(C(=O)N2CCC(C)CC2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814531 JJEDDQWWQJUEII-NCELDCMTSA-N 452.511 3.768 50 10 JHGE O=C(/C=C/c1ccc(-c2ccc(Br)cc2)s1)NNC(=O)c1ccc(-n2cnnn2)cc1 71842536 JQIFVKKBYNOSJZ-ZRDIBKRKSA-N 495.362 3.628 50 10 JHGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1cccc(C)c1 256028255 BGKWVFNCAIYZEJ-UHFFFAOYSA-N 457.581 3.649 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 398757246 ZQFZTEBIFZDQHY-AXFHLTTASA-N 450.114 3.632 50 10 JHGE C[C@@H]1CN(C(=O)NNC(=O)c2ccc(Br)cc2Cl)C[C@@H](c2ccccc2)O1 728956588 XLSCXHAHLMAPPO-PXAZEXFGSA-N 452.736 3.919 50 10 JHGE COc1cccc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)c1O 1084030591 FCAMDTSNBXIBPK-UHFFFAOYSA-N 472.133 3.763 50 10 JHGE COc1ccc(COC(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1084356230 XZQGHDHWQCHRIF-UHFFFAOYSA-N 460.446 3.781 50 10 JHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccccc1Cl 1084609387 XEEBTZFSAKMXTH-UHFFFAOYSA-N 466.365 3.753 50 10 JHGE CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)NNC(=O)CSCc1c(Cl)cccc1Cl)[C@@H]2C(=O)O 1088732984 BEHPXVOMGOARCJ-DPUOIFSFSA-N 469.390 3.843 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3cccc(C(F)(F)F)c3)c(=O)c2c1-c1ccccc1 1860769633 BJXMKDIHYGIZAU-UHFFFAOYSA-N 486.475 3.913 50 10 JHGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)cc(OC)c2O)cc1 1865695711 GTKKZJBWWDPQNE-LJQANCHMSA-N 483.322 3.884 50 10 JHGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cc(Br)cc(OC)c3OC)nc2c1 1872727726 WGFZGAMZJRPKST-AWNIVKPZSA-N 470.279 3.966 50 10 JHGE CC[C@@H](C)[C@H](CI)NC(=O)c1ccc(I)cc1 2023037272 IZBCVHPFEAEBIJ-SKDRFNHKSA-N 457.093 3.871 50 10 JHGE O=C(c1csc(Br)c1Br)N1CCN2C[C@H](Br)C[C@H]2C1 2093941841 DDRWEZBHVIBEBK-SFYZADRCSA-N 473.028 3.567 50 10 JHGE CN1CCC[C@H]([C@@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2142285270 NQSHTKRFPZHYAM-NEPJUHHUSA-N 478.577 3.758 50 10 JHGE O=C(NCC12CC(CCl)(CO1)C2)c1cc(I)ccc1Br 2159574043 BPRHEJHOVDIEBN-UHFFFAOYSA-N 470.532 3.572 50 10 JHGE O=C(Nc1ccc(I)cc1[N+](=O)[O-])N1CCC(Br)CC1 2162136819 NYOMCKZBSIMNAR-UHFFFAOYSA-N 454.062 3.591 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163055642 JUIXHAZVHUEURS-HUUCEWRRSA-N 461.422 3.848 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@](C)(CBr)C1 2338673136 JREZNAAWMNUXRR-GFCCVEGCSA-N 457.992 3.582 50 10 JHGE CC1CCC(CCl)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364195180 NFLJDDRTXSOFDG-UHFFFAOYSA-N 455.020 3.950 50 10 JHGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 10471886 PFIHHUDNKFNVOC-UHFFFAOYSA-N 476.558 3.675 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 14661418 KTCYXSGDIBCCBO-UHFFFAOYSA-N 499.361 3.981 50 10 JHGE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)NNC(=O)c1ccc2c(c1)OCO2 35681674 PCLZBUXXPYDGJP-OWBHPGMISA-N 452.470 3.742 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 38659801 SBCUZOGAUJUJLY-SANMLTNESA-N 488.496 3.915 50 10 JHGE Cc1c(C(=O)N2CCCCC2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823020 DAJLYGLWQDMGQQ-LFVJCYFKSA-N 459.344 3.842 50 10 JHGE COc1c(C(=O)N/N=C2/C(=O)N(CCN3CCCCC3)c3ccccc32)ccc2ccccc12 59155996 JLXNIIQSRMZBFN-ZZIIXHQDSA-N 456.546 3.815 50 10 JHGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1 100449613 ABPNXUKCMIWDJK-UHFFFAOYSA-N 452.292 3.791 50 10 JHGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 101335515 CTLLLTBAZQWZNM-XDHOZWIPSA-N 450.466 3.652 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1cc(Cl)ccc1I 235312877 IZMJCZYENQNTDT-SCZZXKLOSA-N 458.521 3.569 50 10 JHGE CCOC(=O)c1c(NC(=O)C(=O)NN=C(C)c2ccc(OC)cc2)sc2c1CCCCC2 254896716 HWDHSWJZBUGTCI-UHFFFAOYSA-N 457.552 3.681 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CCN2C[C@@H](Br)C[C@H]2C1 405264542 KXPLKRNLCAOFJR-YUMQZZPRSA-N 473.028 3.567 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCCBr)CC1 703958181 MQIDBPRXKJPODK-UHFFFAOYSA-N 485.444 3.526 50 10 JHGE COc1cccc(NCC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1 728208369 SWXIGLOENWZDDB-UHFFFAOYSA-N 475.480 3.788 50 10 JHGE COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 730872032 BPDCFZPTUYHYHC-OALUTQOASA-N 452.894 3.610 50 10 JHGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)cc1 1083907571 LUQLNWYRLLFVRO-HXUWFJFHSA-N 482.606 3.716 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1Cl 1083923293 ABNULJRVOJTEDU-UHFFFAOYSA-N 486.937 3.902 50 10 JHGE C=CCn1c(SCC(=O)NN=Cc2cccc(Br)c2)nnc1-c1cccnc1 1084424305 IXDLSTZUVHLMRN-UHFFFAOYSA-N 457.357 3.531 50 10 JHGE Cc1cc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(C)n1-c1ccccc1F 1087479666 QFECCJFIWCWXLC-UHFFFAOYSA-N 461.497 3.599 50 10 JHGE CCc1nnc(NC(=O)COc2cccnc2NC(=O)Nc2ccc(SC#N)cc2)s1 1858860068 RWDPCJPMXDFAML-UHFFFAOYSA-N 455.525 3.730 50 10 JHGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)c2sc(Cc3ccccc3)nc2C)CC1=O 1865845915 ZLICGAOALJNGRL-FQEVSTJZSA-N 476.602 3.727 50 10 JHGE C[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1966465693 FMRYLGYVNOJPSO-MRXNPFEDSA-N 464.445 3.807 50 10 JHGE Cc1cnc(O)cc1-n1nc(CBr)c(I)c1C(F)(F)F 2078927285 OMJGADSDBLWPFF-UHFFFAOYSA-N 462.007 3.800 50 10 JHGE CCN1CCC[C@H]([C@@H](Br)c2cccc(I)c2)S1(=O)=O 2089533709 ASOCNVYUFDFYNI-OLZOCXBDSA-N 458.159 3.541 50 10 JHGE CN(C1(CBr)CC2(CCC2)C1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2164570941 SFIXQUATGQFNIC-UHFFFAOYSA-N 497.455 3.668 50 10 JHGE C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)CN(C(=O)OC(C)(C)C)C1 2172557735 RRTREJWMBPXTHZ-ZBFHGGJFSA-N 461.422 3.753 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179953704 DEFRLMCGOOSWDD-QZTJIDSGSA-N 465.404 3.581 50 10 JHGE C[C@@H](Cl)C[C@H]1COCCN1C(=O)c1ccc(I)c(Br)c1 2185296070 FTIDCGGBSABPEA-KOLCDFICSA-N 472.548 3.912 50 10 JHGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 2201193441 BTGKCPAITFLOAA-PRHODGIISA-N 455.090 3.937 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@H]1Cl)c1ccc(Br)cc1I 2207267842 NTZCUQTUYITWFZ-RYUDHWBXSA-N 470.532 3.712 50 10 JHGE CC[C@]1(CCl)COCCN1C(=O)c1ccc(Br)cc1I 2207273241 SKTPUBLTARVMCC-AWEZNQCLSA-N 472.548 3.914 50 10 JHGE Cc1ccc(C(=O)N2C[C@@H](CBr)OCC2(C)C)cc1I 2232827562 PEGOILGCQFKLDF-GFCCVEGCSA-N 452.130 3.614 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Br)ccc1OC 2235934631 DAZVDRSYGTWNHM-MWLCHTKSSA-N 476.174 3.586 50 10 JHGE Cc1cc(C=C(C#N)C(=O)OCC(=O)N2CCNC2=O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 2297335781 AJVNHWIHOQUJRC-UHFFFAOYSA-N 494.857 3.768 50 10 JHGE CC(=CC(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccccc1Br 2313504792 WLZWUNZBRRLXDV-UHFFFAOYSA-N 451.136 3.989 50 10 JHGE O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(N(CCCl)CCCl)cc1 2313548563 YLNFHXVETVLFTF-UHFFFAOYSA-N 460.361 3.675 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 14661590 SLOAATZMJMVMAB-OAHLLOKOSA-N 487.350 3.856 50 10 JHGE O=C(N[C@H](C(=O)N/N=C/c1cccc(Cl)c1Cl)c1n[nH]c(=O)c2ccccc12)c1ccccc1 27519312 ZHBRSEKISXRACF-HFLRGAGPSA-N 494.338 3.851 50 10 JHGE CC(C)CCN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2ccccc2Br)c2ccccc21 33959092 ZNRRQINVIABCIM-SLMZUGIISA-N 499.409 3.872 50 10 JHGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(Br)c1OC 33959151 DUMJUGNHAVIHGR-AWQFTUOYSA-N 472.133 3.758 50 10 JHGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N 40702489 XBVBFDJHEMFUND-UHFFFAOYSA-N 463.723 3.984 50 10 JHGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 58889709 FHHHMEUFCBBYCG-IEZSBWOXSA-N 462.502 3.936 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)CCCc1ccccc1 59159366 KCQFHHGJCSAVOM-OEAKJJBVSA-N 450.455 3.779 50 10 JHGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1O 59305177 ODJCJKJSPWMRAT-KEBDBYFISA-N 450.232 3.906 50 10 JHGE Cc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccccc4C)cc3)nc2s1 96484360 BMGDQOOXOZUDEG-WQRHYEAKSA-N 457.515 3.893 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1cccc(C)c1 207217420 JUZBRAAFUMUGLT-PGMHBOJBSA-N 464.518 3.534 50 10 JHGE C=CCOc1c(I)cc(C=NNC(=O)c2ccc(C)cc2OC)cc1OC 252606540 GTFNZEPXXQPXRH-UHFFFAOYSA-N 480.302 3.946 50 10 JHGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCC)cc2)sc2c1CC[C@H](C)C2 254713786 SGMWKDDFQRHHFD-AWEZNQCLSA-N 457.552 3.537 50 10 JHGE N#Cc1cc(I)c(OC[C@H](CBr)C2CC2)c([N+](=O)[O-])c1 701861268 APPCYNVVLGIQKI-JTQLQIEISA-N 451.058 3.871 50 10 JHGE O=C(NNC(=O)[C@H](c1ccccc1)N1CCCCC1=O)c1ccccc1OCc1ccc(F)cc1 731224396 XKRKLVHLWJTRAW-VWLOTQADSA-N 475.520 3.920 50 10 JHGE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(Cl)Cl 757303833 CDPHGQZUZYGBMS-SFHVURJKSA-N 465.333 3.678 50 10 JHGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccc(OCC#N)cc2)cc1 1083909621 WIMAJMVIAXTRTK-UHFFFAOYSA-N 496.976 3.972 50 10 JHGE C=CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OC 1084307139 DKHUGBALZAOODK-GOSISDBHSA-N 494.329 3.829 50 10 JHGE CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccc(OCCOc3ccc(Cl)cc3)cc2)cc1 1858080451 DYATXXRJYCXBEH-UHFFFAOYSA-N 489.981 3.805 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC=C[C@H]1CBr 2007527485 VTAHZGFTJLOUAN-VIFPVBQESA-N 470.930 3.829 50 10 JHGE O=C(CBr)c1ccc(I)c([N+](=O)[O-])c1OC(F)(F)F 2055245350 ACFLRJWOYNGGRB-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE O=C=Nc1ccc(I)c(I)c1OC(F)(F)F 2060039883 KHLZGXDBNSLEOT-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE CCN1CC[C@@H]([C@@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2089530308 FYMHGLZTFJKEPF-RYUDHWBXSA-N 478.577 3.758 50 10 JHGE C[C@@H](CBr)N1CCN(C(=O)c2scc(Br)c2Br)CC1 2113063318 CJJYBVPQBWPOJZ-QMMMGPOBSA-N 475.044 3.814 50 10 JHGE CC(F)(F)C[C@H](CBr)NC(=O)c1ccc(F)cc1I 2113235031 FNULURNMMCHCCS-MRVPVSSYSA-N 450.036 3.969 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)c2cccc(Br)c2Br)CCO1 2117533235 WQCPKPXXGGMGKU-KWQFWETISA-N 455.972 3.836 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1C 2123232424 QMJCQVLNYGZJEO-UHFFFAOYSA-N 462.431 3.805 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC(CC(F)(F)F)C1 2179785542 NZCRNOLWGHBJOA-UHFFFAOYSA-N 457.131 3.978 50 10 JHGE CCCn1cc(S(=O)(=O)N2CCCN(Cc3ccccc3)CC2)cc1CBr 2179857986 HPGHIEQFCJHXMG-UHFFFAOYSA-N 454.434 3.690 50 10 JHGE O=C(c1ccc(F)cc1I)N1CC[C@H](C(F)(F)CBr)C1 2197762928 KRVVJNFERSXPGR-QMMMGPOBSA-N 462.047 3.923 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Cl)c1cc(Br)ccc1I 2206488328 RVVFABGQSHZIEG-NEPJUHHUSA-N 470.532 3.712 50 10 JHGE O=C(N[C@H](CCBr)C(F)(F)F)c1c(F)cccc1I 2267682949 JJCSPNGAHUHIKH-MRVPVSSYSA-N 453.999 3.876 50 10 JHGE C[C@@H]1CC[C@@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338849816 MFNNYIMGXAJOTB-SJORKVTESA-N 485.444 3.668 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC(C)(C)[C@@H](CBr)C1 2364016993 FQBLSKBBSOGPNF-QMMMGPOBSA-N 472.019 3.828 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667364 QBOCSGWXGDTZQB-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(C)=O)cc2)c(Br)c1 14832220 VYMPWGDCESBTRG-CYBMUJFWSA-N 462.344 3.761 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc(C(=O)OC)cc1 20805873 RGFOIKGQLPYGMP-LGJNPRDNSA-N 498.996 3.759 50 10 JHGE Cc1c(C(=O)NNC(C)(C)C)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811834 ZJIDSSUPTUPLIA-HZHRSRAPSA-N 461.360 3.854 50 10 JHGE O=C(N/N=C1/C(=O)N(Cc2ccccc2F)c2ccccc21)c1cc(Br)ccc1O 59165901 PYURJCLEBKFTIS-LKUDQCMESA-N 468.282 3.975 50 10 JHGE N#C/C(=C/N1CCCC[C@@H]1CCO)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216508453 JELMGHWOTFLZQP-XIYFGJGBSA-N 458.606 3.565 50 10 JHGE C[C@H]1CO[C@@H](CCl)CN1C(=O)c1cc(I)ccc1Br 235620986 WLNQHKDPUAMWKH-WPRPVWTQSA-N 458.521 3.522 50 10 JHGE COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NN=Cc1cccc(O)c1O 254762195 MWWXSQUELQLCKX-UHFFFAOYSA-N 469.881 3.541 50 10 JHGE CC(=NNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1 725441217 PFFXHVXEBFBYGE-UHFFFAOYSA-N 498.992 3.899 50 10 JHGE CC(=O)N(c1ccc(F)cc1)c1nc(C=NNC(=O)c2cc(Br)cn2C)cs1 917544280 AWHXMKPLCGVQDW-UHFFFAOYSA-N 464.320 3.832 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2coc(-c3ccc(Br)cc3F)n2)c1 1594447091 LFWDAIDKLRMTCF-UHFFFAOYSA-N 459.300 3.856 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Br)c(F)c2C)cc1 1679104764 RXJIARDGCCWOGU-GFCCVEGCSA-N 452.280 3.719 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748935 HMIKWEQWGMCRHA-UHFFFAOYSA-N 470.938 3.848 50 10 JHGE O=C(CN1C(=O)c2ccccc2C1=O)NNc1ccc(OCCOc2cccc(Cl)c2)cc1 1858080464 FTBBZMZARWAHOR-UHFFFAOYSA-N 465.893 3.537 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2cc(Cl)ccc2I)[C@@H]1Br 1911026389 MRBDGTFOAROJRC-MNOVXSKESA-N 458.521 3.615 50 10 JHGE Cn1nc(Br)cc1S(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915756564 KOJWXEBHXRGMQM-UHFFFAOYSA-N 477.222 3.691 50 10 JHGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1958927977 HOHWEPZOFGMTGF-YPAWHYETSA-N 482.440 3.976 50 10 JHGE COc1cc(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)ccc1OC(=O)c1ccco1 2042446408 PNPGUVKEENQSOB-UHFFFAOYSA-N 497.511 3.989 50 10 JHGE O=C(Cl)c1cc(I)c(OC(F)F)c(I)c1 2060168792 VLFPUWFVUQFTHR-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE O=S(=O)(C[C@H](Br)c1cc(Cl)ccc1I)N1CCCC1 2089390044 WGJKHRQUHRMKDW-NSHDSACASA-N 478.577 3.806 50 10 JHGE C[C@@H](Br)C[C@H]1CCCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2089706757 FZYPCWGQCVQJAD-IAGOWNOFSA-N 485.444 3.811 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146693396 NBWBRXWRONXBTB-BIMULSAOSA-N 470.532 3.712 50 10 JHGE CC1(C)CO[C@H](CBr)CN1C(=O)c1ccc(I)c(Cl)c1 2167533202 OIOXBBPBCKNROO-SNVBAGLBSA-N 472.548 3.959 50 10 JHGE CC[C@H]1CN(S(=O)(=O)c2cc(CBr)n(CC)c2)CCN1Cc1ccccc1 2179785052 HFQPEMDDZAAAKY-SFHVURJKSA-N 454.434 3.688 50 10 JHGE CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)cc(F)c1F 2179859819 JONMAOZZWYYWPC-INIZCTEOSA-N 459.356 3.755 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(CCCl)cc1 2181754689 YOXHKHAFYSTEFB-UHFFFAOYSA-N 455.067 3.652 50 10 JHGE O=S(=O)(N[C@H]1CN(Cc2ccccc2)CC(F)(F)C1)c1ccc(CBr)cc1 2184260237 ISLOJVIKHDKQTD-QGZVFWFLSA-N 459.356 3.770 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCCOCCOCCOCc2ccccc2)C1 2211319733 KULFDSOEYBGIKM-PMACEKPBSA-N 488.419 3.636 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCS[C@@H](CCBr)C2)c1 2232153790 RROVPUHDZKYQLS-NSHDSACASA-N 454.171 3.942 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCO[C@@]2(CCl)C1 2239905686 ZIUZNSPIDPDHFH-XPTSAGLGSA-N 470.532 3.524 50 10 JHGE CO[C@](C)(CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277914075 DXRSEMODQDFNFM-CYBMUJFWSA-N 457.988 3.670 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1 2313892232 AGYSDORFJMXWOL-QGZVFWFLSA-N 455.580 3.713 50 10 JHGE Cc1ccc(C(=O)NCC(F)(F)C(F)(F)CBr)cc1I 2361672143 MLDPLQBGBJTLRK-UHFFFAOYSA-N 468.026 3.995 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2364216027 YDUFGENLTWKCOX-VDGAXYAQSA-N 497.455 3.668 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 12501847 FLVUBYXRAUEONG-UHFFFAOYSA-N 458.971 3.808 50 10 JHGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Br)o1 12570759 QDJOZOKXNNWOAU-UHFFFAOYSA-N 458.337 3.510 50 10 JHGE CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 13995448 MIWQBYLIPWAXDB-OAHLLOKOSA-N 455.736 3.795 50 10 JHGE CCOC(=O)Cc1csc(=NC(=O)/C(C#N)=C/c2ccccc2)n1C(=O)/C(C#N)=C\c1ccccc1 254759450 MZMZULLIFGTMEV-QUGQQPJSSA-N 496.548 3.937 50 10 JHGE Cc1cccc(C(=O)NCC2(CBr)CCOCC2)c1I 700910675 CHOHRHIQJQIBSP-UHFFFAOYSA-N 452.130 3.521 50 10 JHGE O=C(N[C@@H](CBr)CC(F)(F)F)c1cccc(F)c1I 721685142 SQZPNAHCRNQEQB-ZCFIWIBFSA-N 453.999 3.876 50 10 JHGE COc1ccc(F)cc1CN1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 914464198 DRAQGQZUSMKSEN-JWGURIENSA-N 498.562 3.863 50 10 JHGE C[C@@H]1CN(CCCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)C[C@@H](C)O1 920439058 BPDBIZUJXBTDTQ-RJORLQLFSA-N 481.000 3.640 50 10 JHGE C=CCNc1ncc(C(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)s1 1540691905 MTJBOOUSNRCSHN-UHFFFAOYSA-N 454.581 3.515 50 10 JHGE C=C[C@H](CC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 1587357259 OQFZXSCMFOVCLX-MRXNPFEDSA-N 455.561 3.670 50 10 JHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743612 GNUGGEHETTXLBA-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE Cc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1865845462 RCIGMIRPKJFRPE-UHFFFAOYSA-N 490.585 3.748 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@H](C(=O)NNc2ccccn2)C1 1873777107 ADVNSXVXNPAKMB-KGLIPLIRSA-N 481.778 3.647 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2023474369 PIMFTHKOCLOUEK-HRAATJIYSA-N 477.693 3.651 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](Br)C(F)(F)C1 2034596263 VZJPMZYTTZWSFR-SECBINFHSA-N 450.448 3.799 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OC 2053510857 UTOOIWLQRVPENM-UHFFFAOYSA-N 492.269 3.942 50 10 JHGE CCNC(=S)NNC(=O)c1ccccc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 2059876236 UYEDDAYMPPWDDZ-SOLBZPMBSA-N 451.658 3.912 50 10 JHGE O=C(CCl)c1cc(I)cc(I)c1OC(F)F 2060185698 WDKHVGBHXFEDMY-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE BrC[C@@H]1C[C@@H]2OCC[C@@H]2N1c1ncc(I)cc1Br 2069532218 SKBKCUIJSTVLRW-LSJOCFKGSA-N 487.961 3.580 50 10 JHGE O=S(=O)(C[C@@H](Br)c1ccc(I)cc1)N1CCCCC1 2089394512 XIDWDIKJQQVDCK-CYBMUJFWSA-N 458.159 3.543 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1Cl)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179789092 LWCSUCONLDKBNQ-HDICACEKSA-N 469.832 3.987 50 10 JHGE COc1cc([C@H](Br)c2cnn(C)c2I)c(OC)cc1C 2236787025 GJIZSDIQRJUINJ-ZDUSSCGKSA-N 451.102 3.835 50 10 JHGE Cc1ccc(I)c(C(=O)N2C[C@H](CCBr)O[C@H](C)C2)c1 2240901452 PNHPGAXKTUCQCC-NEPJUHHUSA-N 452.130 3.614 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1O 2297382315 POXGTAMKTKHSNX-UHFFFAOYSA-N 455.536 3.511 50 10 JHGE COC(=O)[C@H]1CN(C(=O)COC(=O)C(C#N)=Cc2cc(C)n(CCC(C)C)c2C)c2ccccc2O1 2297431047 FOTQGJLBOWRJBY-XMMPIXPASA-N 493.560 3.568 50 10 JHGE C[C@@H]1CCCN(CCOCCI)[C@H]1CCCNC(=O)OC(C)(C)C 2306802403 OUBOUTIWLDYWLP-CVEARBPZSA-N 454.393 3.843 50 10 JHGE CN(CCC[C@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 2321823002 VRHDUMXXFOKQRT-NRFANRHFSA-N 495.708 3.973 50 10 JHGE C[C@H](NC(=O)c1c(Br)c(Br)nn1C)[C@@H]1CCC[C@@H]1Br 2338863573 LSNUQKJANMFWBL-FXQIFTODSA-N 457.992 3.627 50 10 JHGE CC(C)(C)[C@H]1[C@H](Cl)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213620 HYVAXCUSYUQGQS-RTBURBONSA-N 455.020 3.901 50 10 JHGE Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)c1 10736762 QBTXICLHHISBDC-UHFFFAOYSA-N 476.558 3.671 50 10 JHGE COc1cc(C(=O)N/N=C/c2ccc(OC)c(CN3CCN(c4ccc(F)cc4)CC3)c2)ccc1O 13140299 HBEFWJNIFKXCNE-STBIYBPSSA-N 492.551 3.635 50 10 JHGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c1C 58890454 RYRBVRLKDHSAMK-JOODZBNRSA-N 450.495 3.975 50 10 JHGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 59148535 PWISQYGWPFPWHZ-UHFFFAOYSA-N 477.362 3.924 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)CSc3ccccc3C)c3ccccc32)cc1 59148616 XOCFPPCOWNKOJE-GNVQSUKOSA-N 472.570 3.901 50 10 JHGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/C(Cl)(Cl)Cl 59261614 WRLKOIUDKISZJF-SSDVNMTOSA-N 455.758 3.894 50 10 JHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594806 IBOQDVUIBSLBNV-ZXVVBBHZSA-N 478.936 3.716 50 10 JHGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 102684248 IJXRIZMWBQFZIU-WOBAJENOSA-N 472.545 3.986 50 10 JHGE CC(C)(C)c1ccc(C(=O)C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 109130762 HJLQAAMOXXUPBK-UHFFFAOYSA-N 467.529 3.876 50 10 JHGE CCC(CBr)(CBr)NC(=O)c1ccccc1I 232865105 YXNVVAAGDPZXIO-UHFFFAOYSA-N 474.962 3.960 50 10 JHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)ccc1O 254290006 HOUAAJKURSLCHA-UHFFFAOYSA-N 474.542 3.651 50 10 JHGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)ccc1O 254398941 OLSCQCYYEWLQTN-UHFFFAOYSA-N 485.537 3.584 50 10 JHGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccccn1 254924660 VSBIKLPLOZCOMV-UHFFFAOYSA-N 475.599 3.963 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccc(OCC3CC3)nc2)c(-c2ccccc2)n1 749242282 AJCGSLGIQLIORQ-XKZIYDEJSA-N 452.518 3.871 50 10 JHGE COc1ccc(Br)cc1C=NNC(=O)NN=Cc1cc(Br)ccc1OC 1083971156 ATEWGTLOXOVEPX-UHFFFAOYSA-N 484.148 3.896 50 10 JHGE COc1cc(I)cc(C=NNC(=O)c2cc3ccccc3o2)c1OC 1084271762 ZNRBMDIQODRPEQ-UHFFFAOYSA-N 450.232 3.819 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)c2ccc(Br)cc2)c1C 1084289348 MVGOPNXXXLMNLZ-UHFFFAOYSA-N 472.299 3.932 50 10 JHGE C#CC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)C1 1299852275 FGKAJNTXFPSBOD-KNGGAZFVSA-N 457.534 3.650 50 10 JHGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 1672209343 BHWAKPYRMDFPSH-UHFFFAOYSA-N 456.300 3.666 50 10 JHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)/C=C/c4ccc(Cl)cc4Cl)c(=O)c23)C1 1860769679 CXBQFRXIWSSKEA-NTYUQYKDSA-N 491.400 3.750 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)c(C)n2)cc1 1865756906 CYODMKSDQAWISS-UHFFFAOYSA-N 486.528 3.535 50 10 JHGE O=C(N[C@H]1C[C@@H](Br)C1)c1ccc(I)c(Br)c1 1986069880 WMJHYPTXFDDALW-OCAPTIKFSA-N 458.919 3.709 50 10 JHGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1cc(Br)c(Br)s1 2039821703 MLLMGBWIFPAVPP-RQJHMYQMSA-N 462.001 3.803 50 10 JHGE CN1CCC[C@H]([C@@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2089535866 OTZKJQWJUNNSDM-NEPJUHHUSA-N 478.577 3.758 50 10 JHGE O=C(NCC[C@H]1COC[C@H]1Br)c1cc(Br)cc(Br)c1 2111278942 DZEQZOYJXPGQJK-QPUJVOFHSA-N 455.972 3.741 50 10 JHGE Cn1nc(CC(CBr)(CBr)C2CCOCC2)cc1Br 2111914509 CRTREBRFIIEMIB-UHFFFAOYSA-N 459.020 3.928 50 10 JHGE C[C@H](Br)CN1CCN(Cc2cc(Cl)ccc2I)CC1 2113856216 KZOVFINKINIIMZ-NSHDSACASA-N 457.581 3.846 50 10 JHGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccn1 2179818906 FQJPFHXOKOKOQJ-LJQANCHMSA-N 452.418 3.509 50 10 JHGE O=S(=O)(Cc1ccsc1Br)N1CC[C@@H](Br)C(F)(F)CC1 2234498534 VUDPKHKMUOPCNT-SECBINFHSA-N 453.168 3.835 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268350165 ZJFXAVYATGDCGU-UWVGGRQHSA-N 458.521 3.569 50 10 JHGE COCCn1c(CBr)nnc1Cc1cc(Br)cc(Br)c1 2295314606 AGUCBDIQLZMKHR-UHFFFAOYSA-N 467.987 3.935 50 10 JHGE CC(=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 2297624557 YTAIATGWDUTRQT-UHFFFAOYSA-N 472.457 3.635 50 10 JHGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NNC(=O)c2ccncc2)cc1 2313683113 RYJQRYGFKINEIR-UHFFFAOYSA-N 484.541 3.659 50 10 JHGE CC(C)c1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325893164 APWSRDIDAFTHNH-INIZCTEOSA-N 464.591 3.567 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@]1(C)CCC[C@@H]1Br 2338670112 MPWUUNBJUQEFED-JVXZTZIISA-N 457.992 3.629 50 10 JHGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338841695 BDDFAPCWVNJAST-GJYPPUQNSA-N 485.444 3.667 50 10 JHGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2364230227 JUVBYQRLXUBYAD-BDAKNGLRSA-N 472.019 3.971 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)[C@H]1C(F)(F)F 2377536734 YTHOFZFOUMOGII-YWDSYVAPSA-N 459.303 3.535 50 10 JHGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510701 HMHUEEQMMAGRCT-UHFFFAOYSA-N 483.977 3.676 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 13979608 BXKZUUBALGXWML-UHFFFAOYSA-N 462.127 3.670 50 10 JHGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCC)c(Br)c1 14647856 MTDYQQQKTKYILD-UHFFFAOYSA-N 492.395 3.752 50 10 JHGE COc1ccc(/C(C)=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)c(OC)c1 33304042 NWHPQVDUIWCKSC-OEAKJJBVSA-N 457.328 3.865 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2cccs2)c(Br)c1 33561889 MMRNPEBWMBGLKE-CLFYSBASSA-N 496.452 3.922 50 10 JHGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 40846316 QGPPMJWCZUGRGE-ROMGYVFFSA-N 464.865 3.694 50 10 JHGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OCC)c1 40867220 UMMQWFPOAMUJKB-LZYBPNLTSA-N 469.406 3.899 50 10 JHGE O=C(NC[C@]1(CCl)CCCOC1)c1cc(Br)ccc1I 700896748 CLZULHXWMSLWSP-CQSZACIVSA-N 472.548 3.819 50 10 JHGE CC#CCCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1546230168 KLJBVOUARLOMMU-SFQUDFHCSA-N 453.449 3.510 50 10 JHGE Nc1cc([N+](=O)[O-])ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 1614643728 YSNIFDLPSGDHDF-RHSMWYFYSA-N 481.290 3.964 50 10 JHGE COC1CC(CBr)(NC(=O)c2cc(Br)ccc2Br)C1 1899799711 LAGUUBUIORFCTQ-UHFFFAOYSA-N 455.972 3.884 50 10 JHGE CN(CC(F)(F)CBr)c1ncc(I)cc1Br 1988536579 PEAXULRVPOMSOK-UHFFFAOYSA-N 469.893 3.915 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1cccc(Br)c1Br 2092339431 DNZGGZSWKVEKHZ-RKDXNWHRSA-N 455.972 3.836 50 10 JHGE C[P@@]1(=O)C[C@H](NC(=O)c2ccc(I)c(Cl)c2)[C@@H](Br)C1 2121336610 HSVZCCXMTHVUEV-VCJDJFQASA-N 476.476 3.813 50 10 JHGE O=C(c1cc(I)ccc1F)N1CCC(F)(F)[C@H](CBr)C1 2169668415 PTWUGKARYRFHRG-MRVPVSSYSA-N 462.047 3.923 50 10 JHGE Fc1cc(CBr)cc(F)c1-n1cnc2c(I)ncnc21 2177723462 GCJLXHQKKQYQKV-UHFFFAOYSA-N 451.012 3.593 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(F)c(CBr)c1F 2179860163 NRDWQQGWRRCGOJ-CQSZACIVSA-N 459.356 3.755 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CCO[C@@]2(CCl)C1 2239905685 ZIUZNSPIDPDHFH-OTYXRUKQSA-N 470.532 3.524 50 10 JHGE Cc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2269541180 CYUWUQWNWIPQFI-SANMLTNESA-N 486.377 3.567 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1 2295489485 PXCSTYOLOZNSAD-UHFFFAOYSA-N 472.545 3.691 50 10 JHGE C[C@H]1CCCCN1C(=O)Cn1cc(C=C(C#N)C(=O)NC2CC2)c2cc(Br)ccc21 2313623905 HSVLVYZMKQCPAM-HNNXBMFYSA-N 469.383 3.990 50 10 JHGE CCOc1ccc(C=CC(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 2313890621 SHJCWVKCTGCIKM-UHFFFAOYSA-N 453.720 3.741 50 10 JHGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(OC)cc1 2314593682 RBHMNOWJFLVVBF-SFHVURJKSA-N 461.465 3.886 50 10 JHGE COC(=O)C(C#N)=Cc1cccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)c1 2314754934 JCRNDZITLJUBLW-UHFFFAOYSA-N 454.232 3.855 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)Cc1cccc2ccccc12 2314792582 YNZBEBFTJNBINQ-UHFFFAOYSA-N 456.498 3.762 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1ccccc1Br 2336537950 BUIUSUFJGFTMKB-UHFFFAOYSA-N 453.999 3.885 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CCC[C@@]2(CCl)C1 2364214648 OPGXXZWOEXLKQQ-VGOFRKELSA-N 453.004 3.514 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)c(C)c1 14668123 WTKHFEAKMIPKNC-UHFFFAOYSA-N 463.372 3.969 50 10 JHGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816332 GFDKDJHTJDPVDH-YZSQISJMSA-N 493.391 3.518 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)cc1 58893304 KDKUJDUFTURRCU-CFKHXJFWSA-N 453.451 3.923 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)C12CC3CC(CC(C3)C1)C2 59147539 MPPVDSZPLVPLSU-WYMPLXKRSA-N 466.498 3.972 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596185 LKUWNOSNPXNZNK-OVVQPSECSA-N 482.899 3.926 50 10 JHGE Cc1cc(C)c(S(=O)(=O)/N=C2\C=C(NNC(=O)c3ccccc3O)C(=O)c3ccccc32)c(C)c1 102621180 GSYJQCNSHIBSPY-XHLNEMQHSA-N 489.553 3.510 50 10 JHGE C[C@@H](NC(=O)/C(C#N)=C1/N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccccc1 102984994 PGEXNCTZQKDCTN-PXFSWQRTSA-N 465.469 3.897 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)Cn2c(C)c(Br)c3ccccc32)cc1OC 108045667 FMHNNWUATPEDNZ-UHFFFAOYSA-N 460.328 3.581 50 10 JHGE COc1cc(C=NNC(=O)CCC(=O)Nc2ccccc2Cl)cc(Br)c1O 1084097670 AWPMFUPIPPQEEV-UHFFFAOYSA-N 454.708 3.686 50 10 JHGE C[C@@H](C(=O)N/N=C\c1ccccc1Br)n1cnc2sc3c(c2c1=O)CCCC3 1860774112 NEHVJEVDXZZWCG-XNIDKHOESA-N 459.369 3.811 50 10 JHGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)N(CCOC)[C@H](C)C2)n1 1868253853 WDKLKWDFOOZVFC-HDICACEKSA-N 456.616 3.528 50 10 JHGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC 1872752832 VJIQVGZECMEFQQ-ICFOKQHNSA-N 495.513 3.787 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CC[C@](C)(CI)O2)C[C@@]12CCCOC2 1950594214 SRRXEHITNQLEPL-KURKYZTESA-N 451.345 3.919 50 10 JHGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)CC2(CBr)CCOCC2)C1 1977957754 IGTHOUJWBVAZMJ-UHFFFAOYSA-N 483.447 3.662 50 10 JHGE Cc1nc(I)c(I)n1-c1ccc(CCCl)cn1 2024146031 DALQDRODQWAYFE-UHFFFAOYSA-N 473.483 3.566 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](CBr)C1 2026221719 OKZFBZWOKMYMNV-QMMMGPOBSA-N 472.946 3.911 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H](Br)C(F)(F)C1 2034595269 KFWUGLFWSPCPSD-SECBINFHSA-N 450.448 3.799 50 10 JHGE COC(=O)Cc1c(I)cc(I)cc1CBr 2055321028 AGMXVZNGWGJLHY-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@H](CCCl)C1 2116234490 RGJQGXXDXOHNSE-SNVBAGLBSA-N 458.521 3.524 50 10 JHGE O=S(=O)(c1ccc(F)c(CBr)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188885017 LXDRTBBOAFDHIZ-OXJNMPFZSA-N 453.377 3.616 50 10 JHGE Cc1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)CBr)C2)sc1Br 2197759334 NCDQGGORKUCTEF-MRVPVSSYSA-N 453.168 3.860 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2240732952 LRLFJEASYKZJKH-TXPKVOOTSA-N 497.455 3.667 50 10 JHGE COc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1OC 2295482958 IAGSIQXQGHNOSA-UHFFFAOYSA-N 472.545 3.691 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 13621178 AGYSDORFJMXWOL-BXUGYJKXSA-N 455.580 3.713 50 10 JHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 14641560 AFNVCOKLGFQZMM-UHFFFAOYSA-N 490.585 3.985 50 10 JHGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 14833978 CZVVIFQHXJUXRD-FPYGCLRLSA-N 458.754 3.761 50 10 JHGE C=CCc1cccc(/C=N/NC(=O)[C@@H](C)Nc2ccc(I)cc2C)c1O 20352600 IMCXAYFTOSLDGI-LVCXCXRVSA-N 463.319 3.984 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(N3CCCCCC3)nc12 33910924 MDRJGJNHWYABGZ-PYCFMQQDSA-N 455.562 3.649 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38687372 PCJQILNDMSEZJX-DNQXCXABSA-N 456.454 3.659 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1cc(=O)n2nc(C)sc2n1 102444238 QYJUXNJOTZAIDV-YVLHZVERSA-N 473.514 3.593 50 10 JHGE CC(C)[C@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 126970072 WUFXZELSDGBHSJ-SNVBAGLBSA-N 464.017 3.909 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCCN(CCBr)CC1 232487654 HHYPCHJBTQJVFI-UHFFFAOYSA-N 469.015 3.754 50 10 JHGE COc1ccc(C(C)=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC 254512397 MIQYIUCVWOPHMX-UHFFFAOYSA-N 467.547 3.683 50 10 JHGE CCCCCCN1C(=O)C(=NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c2ccccc21 254873265 LTDYHFBPSSMQNU-UHFFFAOYSA-N 465.579 3.522 50 10 JHGE C[C@H](CCl)CS(=O)(=O)Nc1ccc(Br)c(I)c1 304201591 NMCHAVWDTLLLKJ-SSDOTTSWSA-N 452.539 3.670 50 10 JHGE O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727705309 LJUYBMBFLLMMBA-HXUWFJFHSA-N 474.448 3.507 50 10 JHGE O=C(NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(CSc2ccccc2)cc1 1084142609 FUPRFGZDZIKNRR-UHFFFAOYSA-N 489.597 3.980 50 10 JHGE CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)NNC(=O)c2ccc(Br)cc2)cc1 1318175517 KFGVQYAAIQCMGC-UHFFFAOYSA-N 491.386 3.661 50 10 JHGE CCCOc1ccc(C(=O)NNC(=O)CCc2ccccc2Br)cc1[N+](=O)[O-] 1860396219 IVVVJYTVRULREF-UHFFFAOYSA-N 450.289 3.540 50 10 JHGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)c1ccc(I)cc1 1865758198 NUTFXYRJTDBFFT-UHFFFAOYSA-N 475.261 3.876 50 10 JHGE CC[C@](C)(NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866905472 DYTOHFGQOUPTLO-DEOSSOPVSA-N 452.580 3.562 50 10 JHGE CCCOc1ccc(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)cc1OCC 1873793620 SVTZDJQGJDWGTI-BDFKGGEMSA-N 453.605 3.971 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H](Br)[C@H](F)C1 1888470877 VXLOZEYMTIPXSC-IMTBSYHQSA-N 455.958 3.862 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1cccc(Br)c1Br 2097940846 GADULFBWZBMAHF-DTWKUNHWSA-N 455.972 3.884 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H]1C[C@H]2Br 2115435668 WVSPWPDEGJZNFA-POZPLHJXSA-N 474.012 3.758 50 10 JHGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)CCC(F)(F)CBr)C1 2123361590 IACZTPJSBDXQTK-HOTGVXAUSA-N 453.393 3.579 50 10 JHGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1ccc(CBr)cn1 2179808684 LBOSNGLAYRYLPQ-GOSISDBHSA-N 452.418 3.650 50 10 JHGE O=S(=O)(C1CCC(CBr)CC1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179825278 FSQGBZOKZJAJDP-ODKCFSPTSA-N 455.462 3.724 50 10 JHGE CC1(C)OC[C@H](NC(=O)Cc2cc(Br)cc(Br)c2)[C@H]1Br 2295311700 NURGRYYYBXUDCM-WCQYABFASA-N 469.999 3.811 50 10 JHGE CCOc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1OC 2295483040 TVSYKTMKARTGMN-UHFFFAOYSA-N 487.512 3.744 50 10 JHGE COCCn1c(C)cc(C=C(C#N)C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)c1C 2297335812 GZMMPCOUTHTSMD-UHFFFAOYSA-N 462.531 3.624 50 10 JHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 2313619204 NSORUTWVMCGTHG-ZDUSSCGKSA-N 452.363 3.804 50 10 JHGE CN([C@@H](CCBr)C(F)F)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338846780 GNOZFPISGHUDGR-INIZCTEOSA-N 495.386 3.523 50 10 JHGE CC(C)[C@@H](Br)C(C)(C)NC(=O)c1c(Br)c(Br)nn1C 2340411559 WZYLCQKJLODXHN-SECBINFHSA-N 460.008 3.873 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCC[C@H](Cl)[C@H]2C1 2364217195 UMIGRZVDAUYFHX-VDGAXYAQSA-N 453.004 3.512 50 10 JHGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2c1ncnc(O)c1I 2366970343 BTKVFJNRFPRVGN-UBJLHIIHSA-N 452.134 3.708 50 10 JHGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 12573681 NHXGKYVKTYDVJI-UHFFFAOYSA-N 481.359 3.538 50 10 JHGE CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1Br 14770421 NEXZFXWUVDYJED-UHFFFAOYSA-N 486.160 3.759 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1Br 14776630 XJAXMTJMDSVXFD-UHFFFAOYSA-N 489.395 3.528 50 10 JHGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 40569367 UAUCRMGYAJMOSZ-QRWLVFNGSA-N 470.367 3.960 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1 58894915 VDMDKNZTZRCUOZ-YCCHBACSSA-N 478.929 3.565 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCC(=O)OCC 58895176 MFYHSBXUFDRNIB-MFSPXNBESA-N 468.550 3.720 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccc3c(c2)OCO3)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 59384979 VGJNTPABGXGTTN-SNMORSHISA-N 463.346 3.665 50 10 JHGE CC(=NNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1 252625903 QROYMNUBFWDANQ-UHFFFAOYSA-N 492.601 3.862 50 10 JHGE CN([C@@H]1COC[C@H]1Br)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 709433738 ZUMFRYNYCKGRSN-GMSGAONNSA-N 467.994 3.539 50 10 JHGE C[C@@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(N2CCCC2)c1 726262507 GAHLRIRWTICFFP-QGZVFWFLSA-N 451.571 3.556 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(-c2ccc(Cl)cc2)n1 914455820 AWVKWRBNKRBUDK-QNGOZBTKSA-N 496.962 3.640 50 10 JHGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCC#N 1084165063 LRRHSQZYMCTHRN-SFHVURJKSA-N 460.328 3.714 50 10 JHGE CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)CC12CCCCC2 1153568231 FEHPYOUVOAHKGW-CRYHJCRISA-N 452.599 3.585 50 10 JHGE Cc1ccc2c(c1)C(=NNC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2C 1772720395 NDSQPMQVBIDUPN-UHFFFAOYSA-N 452.308 3.786 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745520 DBXBOMHGIJVPMB-UHFFFAOYSA-N 475.524 3.555 50 10 JHGE Clc1ccc(CO[C@H]2COC[C@H]2I)c(I)c1 1901597252 STFNHUMNEPJQNF-MNOVXSKESA-N 464.468 3.664 50 10 JHGE O=S(=O)(N[C@H](CBr)C1CC1)c1cc(Br)ccc1Br 2033127117 OFDFMAXDSGKIOJ-SNVBAGLBSA-N 462.001 3.663 50 10 JHGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1cc([N+](=O)[O-])ccc1CBr 2120388005 DUTSZLSDGDDTFG-UHFFFAOYSA-N 455.268 3.514 50 10 JHGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1c(C)nn(CCBr)c1C 2179862673 ZQIPJCQIWOEJHQ-UHFFFAOYSA-N 458.422 3.512 50 10 JHGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1ccc(I)c(Cl)c1 2195488961 GBSWSGLZUNUPTC-MWLCHTKSSA-N 472.548 3.865 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 2324381457 XLZNGZONNBSFLQ-UHFFFAOYSA-N 479.389 3.654 50 10 JHGE O=S(=O)(N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12)c1cc(Br)ccc1Br 2354925719 LMZRLERPDFODPB-UYAIAHHASA-N 488.039 3.909 50 10 JHGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364207050 YDLIJTQFOXRFSN-XNFNUYLZSA-N 497.455 3.809 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC2(CC[C@H](CBr)O2)C1 2365592983 QRGKIKMBLDRQGW-SNVBAGLBSA-N 470.532 3.713 50 10 JHGE CS(=O)(=O)[C@H]1C[C@@H](CO[C@H](CI)c2ccccc2Br)C1 2381027751 DORXBXCWJXJZSI-UHIISALHSA-N 473.170 3.765 50 10 JHGE COCCCn1c(S)nc2cc(C(=O)NN=C(c3ccccc3)c3ccccc3)ccc2c1=O 10055975 NTXPTQJXKRKIKP-UHFFFAOYSA-N 472.570 3.904 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1Br 14661573 YNQBHWYDQZFRFA-UHFFFAOYSA-N 479.371 3.974 50 10 JHGE CC(C)n1nc(C(=O)NNC(=O)c2ccc(-c3ccccc3F)s2)c2ccccc2c1=O 28428837 DCYINYJDOSFTCV-UHFFFAOYSA-N 450.495 3.920 50 10 JHGE O=C(O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40658836 UWQOWTLGERMVSR-UHFFFAOYSA-N 463.237 3.890 50 10 JHGE O=C(NNC(=O)c1ccccc1C(=O)c1ccccc1)c1cccc(I)c1 59466795 VXPOKKCJJANPBL-UHFFFAOYSA-N 470.266 3.597 50 10 JHGE Cc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 252618585 LHXMPQYBUCZQRV-UHFFFAOYSA-N 476.961 3.803 50 10 JHGE CCN(CC)c1ccc(C(=O)NN=C(C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 254609271 ZQHPJLFNFCQNDW-UHFFFAOYSA-N 468.579 3.758 50 10 JHGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 254808788 NYTDHUYLGSWGIH-UHFFFAOYSA-N 487.585 3.585 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1c1ncc(C(F)(F)F)cc1I 686113079 MUOMFSGKEYGSPI-APPZFPTMSA-N 465.051 3.694 50 10 JHGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3cc(OC)ccc3OC)c2C)cc1 725386537 QUBHXCJJYWULMJ-UHFFFAOYSA-N 464.522 3.599 50 10 JHGE COc1cc(C=NNC(=O)COc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccncc1 916294173 CDQIGJANJIXRHA-UHFFFAOYSA-N 473.407 3.857 50 10 JHGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)[C@H](C)Oc1ccccc1F 1562929086 GWGJZOBEFUFZHO-LBPRGKRZSA-N 452.280 3.773 50 10 JHGE O=C(CCCSc1ccccc1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1865852440 WNYRFYZINXYENA-UHFFFAOYSA-N 478.599 3.845 50 10 JHGE C[C@H](NC(=O)c1sccc1I)c1nnc(CBr)s1 2072471388 NNMWHYBTYDIPOU-YFKPBYRVSA-N 458.144 3.590 50 10 JHGE CCCN1CC[C@@H]([C@H](Br)c2ccc(F)cc2I)S1(=O)=O 2145768510 MJGPSUSHBOYFCN-QWHCGFSZSA-N 476.149 3.680 50 10 JHGE O=C(NCC12CC(CBr)(CO1)C2)c1ccc(I)c(Cl)c1 2159588262 KYSGAEYLHSURQD-UHFFFAOYSA-N 470.532 3.619 50 10 JHGE CC(C)(C)OC(=O)NCCc1csc(NS(=O)(=O)c2ccc(CBr)cc2)n1 2201914553 ORMDDVZUAREZPJ-UHFFFAOYSA-N 476.418 3.906 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCC12CC(C(F)F)(CO1)C2 2247422554 NYPJBLMSEZDGDP-FHERZECASA-N 461.287 3.536 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CC(F)(F)C[C@H]1CBr 2271816576 ARCRLYPPGRNORW-YFKPBYRVSA-N 459.559 3.957 50 10 JHGE CC1(C)OCCN(C(=O)c2ccc(Br)cc2I)[C@H]1CCl 2282889787 WJRKEGUUDPMOEG-LBPRGKRZSA-N 472.548 3.912 50 10 JHGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1C 2297335817 JMQQVYDSLNKPIQ-OAHLLOKOSA-N 480.590 3.898 50 10 JHGE CC[C@@](CCNC(=O)OC(C)(C)C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306145096 BBYKXNAUPVOQRO-FQEVSTJZSA-N 481.681 3.630 50 10 JHGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314617548 CDEYKFXDIXAXSB-UHFFFAOYSA-N 452.470 3.533 50 10 JHGE Brc1cc(CN2C[C@H](Br)[C@@H]3COC[C@@H]32)ccc1I 2325223096 WAVNMICXLRDGRT-GAFUQQFSSA-N 486.973 3.648 50 10 JHGE Cc1cc(I)ccc1NC=C(C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325279366 FIVYBULYRIGAGS-UHFFFAOYSA-N 490.320 3.907 50 10 JHGE C[C@@H](Br)CN(C(=O)c1c(Br)c(Br)nn1C)C(C)(C)C 2338863493 LCISXFQRXCKBDN-SSDOTTSWSA-N 460.008 3.969 50 10 JHGE CCN(C[C@](C)(CI)OC[C@H]1COC2(CCC2)CO1)C(=O)OC(C)(C)C 2339384922 UVGUVSDVHTZNQO-YJBOKZPZSA-N 483.387 3.792 50 10 JHGE CN1CCC(CBr)(NC(=O)c2ccc(Br)cc2Br)CC1 2381136315 DLTWOQNGORFVHL-UHFFFAOYSA-N 469.015 3.801 50 10 JHGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)c1 10671620 CWVULZPYYWKKGN-AWEZNQCLSA-N 494.411 3.649 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCc2ccccc2)cc1 12501964 NXEQBOHKZSOIRK-UHFFFAOYSA-N 460.559 3.516 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14654245 JINMVVVGYDEQSL-UHFFFAOYSA-N 464.385 3.742 50 10 JHGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 59777290 BDZAJURFIHOFHZ-UHFFFAOYSA-N 488.411 3.982 50 10 JHGE CCCOc1c(OC)cc(/C=N\NC(=O)CSc2nc3ccccc3n2C)cc1[N+](=O)[O-] 169876341 XEPBVVJPDVOEOG-UUYOSTAYSA-N 457.512 3.521 50 10 JHGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 206178458 JULIGQMNHQVGIR-CYVLTUHYSA-N 490.512 3.927 50 10 JHGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 206267696 JYQKEHTUEMRWRQ-RGEXLXHISA-N 477.546 3.839 50 10 JHGE O=S(=O)(NCCCCI)c1ccc(Br)cc1Cl 236046084 FUQSZBXNYVIGTR-UHFFFAOYSA-N 452.539 3.596 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCSC[C@@H]1CBr 387798477 PCDNOKXHCORWMY-LURJTMIESA-N 455.646 3.665 50 10 JHGE CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(OCC(=O)Nc2ccccc2)cc1 767331091 YHTFIPCBIJWAPX-UHFFFAOYSA-N 469.339 3.959 50 10 JHGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)ccc1OCc1ccc(Br)cc1 1083945499 FJSIWSULEYMFFO-UHFFFAOYSA-N 472.383 3.539 50 10 JHGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNc2ccc(Br)c(F)c2)cc1 1465259051 JSGRRQAHSKUJMP-UHFFFAOYSA-N 457.325 3.543 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1 1644838329 SOXIULVEWJTSTQ-UHFFFAOYSA-N 459.556 3.981 50 10 JHGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1ccc([N+](=O)[O-])cc1 1858683290 JATLEIKLROVYRJ-UHFFFAOYSA-N 471.357 3.666 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)C1 1877584242 BPKWJAOGSLNCGH-RTCKPXIYSA-N 451.427 3.868 50 10 JHGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1ccc(CBr)cc1Br 1887893489 QTTYFSOCURLNFI-NXEZZACHSA-N 476.028 3.748 50 10 JHGE O=C(NCC=CCBr)c1cc(Br)ccc1I 1982997003 DDEVGWDDUUTTML-UHFFFAOYSA-N 458.919 3.735 50 10 JHGE COc1ccc(-n2c(SCC(=O)C(C#N)=C(C)N)nc3sc4c(c3c2=O)CCCS4)cc1 2040426385 RXGSWWDCEKIKCV-UHFFFAOYSA-N 484.628 3.912 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC([C@@H](F)CBr)C1 2048034152 VVSKSTSKYNOFKW-JTQLQIEISA-N 490.936 3.859 50 10 JHGE CCOC(=O)C12CCC(CI)(CC1)O[C@H]2c1nn(C)cc1Br 2080420432 SBCCCXLWNQWIKS-GRTSSRMGSA-N 483.144 3.551 50 10 JHGE O=S(=O)(C[C@H](Cl)c1ccc(Br)cc1I)N1CCCC1 2142285428 PLRRWIFGWTXUQE-NSHDSACASA-N 478.577 3.759 50 10 JHGE C[C@H](Br)CN1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 2170215685 ICWLERKRFQYZTQ-JTQLQIEISA-N 469.015 3.753 50 10 JHGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)N2CCC(CCBr)CC2)CO1 2179956454 OVXADBUNBYGWIP-LJQANCHMSA-N 459.450 3.798 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@@H]2CCO[C@]2(CBr)C1 2231353562 WIEGKZSBLLJPPG-JVXZTZIISA-N 474.012 3.899 50 10 JHGE CO[C@@H]1CN(Cc2ccc(Br)cc2Br)[C@@H](CBr)[C@H]1OC 2233350349 BWKKZMXNTXZGHH-BFHYXJOUSA-N 472.015 3.821 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2255870738 NQDCEQXWOLOUNK-UHFFFAOYSA-N 488.506 3.683 50 10 JHGE COc1ccc(-c2ccc(C(=O)NN=C(C)c3ccc4c(c3)N(C)C(=O)CO4)c(C)n2)cc1OC 2321281071 QUZDHEJPPKEJFS-UHFFFAOYSA-N 474.517 3.583 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2336325142 YSFJUZNFKNBPCD-FPCVCCKLSA-N 456.324 3.854 50 10 JHGE CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)sc2c1CC[C@H](C)C2 2520308 HTSXWHGXQOLKRU-JUCPORTRSA-N 479.558 3.997 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 13621159 ARKABJMBQGSCIG-LICLKQGHSA-N 494.617 3.953 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccccc1Cl 13976887 NNMFTBMUGAHCKO-SNVBAGLBSA-N 476.769 3.515 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)ccc1Cl 14037183 AUINSHKTRNHOBB-UHFFFAOYSA-N 463.987 3.788 50 10 JHGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCCCC2)c1 33350045 CPPMHEFLEGYCOV-PGMHBOJBSA-N 489.601 3.709 50 10 JHGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccco1 40659160 DZGGGMROHQUZLU-UHFFFAOYSA-N 471.227 3.838 50 10 JHGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cc(=O)n4nc(C)sc4n3)cc2)cc1 96484382 FEWHFELWTYKHHA-BOPFTXTBSA-N 473.514 3.593 50 10 JHGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN/C=C2\C=CC=CC2=O)cc1 135996879 HLKZXGULLQTARM-PVWCYPHWSA-N 456.546 3.504 50 10 JHGE COc1ccc(C(C)=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1OC 254494776 ZXDDGKBFQPYBHJ-UHFFFAOYSA-N 459.549 3.720 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1 254700321 OZNOSOYCWMTQDT-UHFFFAOYSA-N 482.606 3.636 50 10 JHGE COc1ccc(C=NNC(=O)Cc2ccccc2)cc1CN1CCN(c2ccc(F)cc2)CC1 254848497 KBBGNYQXSGRYBA-UHFFFAOYSA-N 460.553 3.849 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C1CCCCC1 725090237 VYICNPWVPFMPFW-IBGZPJMESA-N 499.471 3.962 50 10 JHGE C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccc(CSc3ccc(Cl)cc3)cc1)CS2 860794501 CUAARYUNTKGVLZ-PGRDOPGGSA-N 476.023 3.847 50 10 JHGE COc1cc(C=NNC(=O)[C@H](C)Sc2ccccn2)ccc1OCc1ccc(C(=O)O)cc1 1083877678 AMZVIYHQBKFFHB-INIZCTEOSA-N 465.531 3.998 50 10 JHGE O=C(NNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)c1ccc(Br)cc1 1318325813 DNIQBBXFLFAKNC-UHFFFAOYSA-N 470.661 3.696 50 10 JHGE C#CCCCC(=O)NNC(=O)[C@@H](C)SCc1nc(O)c2c(-c3ccccc3)csc2n1 1558512917 LKCHOEMPVYJMKF-CQSZACIVSA-N 454.577 3.637 50 10 JHGE CCN(CC)c1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860772800 HDSXOMCTSIVOED-PASSITCSSA-N 451.596 3.579 50 10 JHGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccccc4OC)nc3C)cc2C1=O 1865760049 DOXCXOPOQIOLLA-HNNXBMFYSA-N 486.528 3.535 50 10 JHGE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866873452 RSIKACSOZNDTFY-KXBFYZLASA-N 453.593 3.741 50 10 JHGE Cc1nnc(N2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)(C)C)n3)CC2)n1C 1868341965 FWEGYYIAARRXHM-UHFFFAOYSA-N 463.615 3.854 50 10 JHGE Cc1nc(I)c(I)n1-c1cncc(CCl)c1 1936388795 QDRQDRNRDAIXNF-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE C[C@@H]([C@@H](Br)c1c(Br)cccc1Br)S(=O)(=O)N(C)C 2033092683 CWVVTSKZXLAOHS-WRWORJQWSA-N 464.017 3.928 50 10 JHGE C[C@]1(CBr)CCN1S(=O)(=O)c1cc(Br)ccc1Br 2036010260 MZDKXXQPQOUWDQ-LLVKDONJSA-N 462.001 3.760 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC=C[C@H]1CBr 2056317487 MZWPUJYEUFFIQR-VIFPVBQESA-N 459.985 3.536 50 10 JHGE O=C(N[C@H](CBr)c1ccsc1)c1ccc(I)c(O)c1 2119037397 CKSPKJVPCMVLOG-LLVKDONJSA-N 452.111 3.924 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(Br)cc1F 2136492135 HOTOSECZSUFVTF-LDYMZIIASA-N 464.138 3.716 50 10 JHGE Cc1ccc(C=CC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 2318792687 IRJLQABLYOXSLJ-UHFFFAOYSA-N 458.543 3.603 50 10 JHGE CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)ccc1Cl 27550037 QCHPXQBIZZZZJR-ATVHPVEESA-N 468.893 3.751 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598184 SOULJERHJOVWTH-OVVQPSECSA-N 482.899 3.926 50 10 JHGE COc1cc([N+](=O)[O-])cc(C2=NN(C(C)=O)[C@H](c3cccc(Br)c3)O2)c1OC(C)=O 102619115 SNEYGLFACNZEEO-IBGZPJMESA-N 478.255 3.530 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H](CBr)O1 230046115 HKQZONYJUZJBBS-SCZZXKLOSA-N 455.972 3.836 50 10 JHGE O=C(COc1ccccc1C(=O)NN=Cc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1 254841613 RQUIJTYNHNMETD-UHFFFAOYSA-N 496.317 3.959 50 10 JHGE C[C@@H](CBr)CN(C)S(=O)(=O)c1cc(Br)ccc1Br 689002551 NHLRKGGPDGECCA-QMMMGPOBSA-N 464.017 3.863 50 10 JHGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCC(C)C)c1 727348921 CDRDBZOPJDPPFG-UHFFFAOYSA-N 463.987 3.919 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NNC(=O)CCCc2ccccc2)c(-c2ccccc2)n1 727741032 CUFYJQZQOWOFNF-OQKWZONESA-N 452.518 3.541 50 10 JHGE CC(=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccc(S(N)(=O)=O)cc1 915922849 JEFFJQLELVCOSY-UHFFFAOYSA-N 462.506 3.842 50 10 JHGE COc1cc(OC)cc(C(=O)NNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 929086362 AQVPQVBXAIHOLO-VXLYETTFSA-N 462.481 3.619 50 10 JHGE CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 1140415650 GIUONLJPBPDHAZ-FQEVSTJZSA-N 455.440 3.579 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3s2)cc1 1866126258 HKRVAGKALRPFNV-MHWRWJLKSA-N 470.576 3.785 50 10 JHGE C#CCN(CCBr)C(=O)c1cc(I)ccc1Br 1948629665 OCDQVVKZLKZGPC-UHFFFAOYSA-N 470.930 3.524 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNc1ncc(C(=O)O)cc1Br 2061268110 OIDZBZFKAWSNGQ-UHFFFAOYSA-N 452.396 3.860 50 10 JHGE O=C(NC[C@H]1C[C@@H](Cl)CCO1)c1cc(Br)ccc1I 2097938980 RGLFLAWANLYGFE-VHSXEESVSA-N 458.521 3.570 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)CC[C@H]1CCl 2152060069 DSLKMBKMWRDAEQ-INIZCTEOSA-N 453.004 3.512 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NC(=O)N2CCC(Br)CC2)C1(C)C 2162866940 CLOKHANCAWVZDJ-CEXHIMGSSA-N 466.442 3.757 50 10 JHGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H]1C 2179858903 VSFRJQXOSJLNAU-HNNXBMFYSA-N 455.393 3.924 50 10 JHGE O=S(=O)(c1cc(CBr)n(C2CC2)c1)N1CC[C@@H](COCc2ccccc2)C1 2179861695 LEYOELGARWJZEO-QGZVFWFLSA-N 453.402 3.945 50 10 JHGE CP(C)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2181629543 XIAPHNIFAIRDLY-MRVPVSSYSA-N 465.169 3.791 50 10 JHGE O=C(O)CSc1nc2cc(I)ccc2n1C[C@@H]1C[C@@H]1Br 2196886512 SDARPXZHOWJADE-CBAPKCEASA-N 467.126 3.601 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201761702 BAQYMCZRKQCKOG-GXTWGEPZSA-N 467.983 3.980 50 10 JHGE CC(C)(C)OC(=O)N1CCOCC12CCN(CCCCCI)CC2 2214705644 VGNCHVXHLKPOHK-UHFFFAOYSA-N 452.377 3.694 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1C 2268647373 OCTKSZLAFTXGLZ-QLXKLKPCSA-N 486.377 3.567 50 10 JHGE Cc1cc(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c1 2269545031 LFHIQMRFHZRJDD-SANMLTNESA-N 486.377 3.567 50 10 JHGE COc1cc(NC=C2C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)cc(OC)c1OC 2296535592 ZRBMTOLFIPIWCG-UHFFFAOYSA-N 486.528 3.941 50 10 JHGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)c2C)cc1 2297335491 NBLBCNBZJVOZNP-UHFFFAOYSA-N 487.512 3.598 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314737368 CBJHLSGJNUFQME-UHFFFAOYSA-N 462.458 3.505 50 10 JHGE CCOc1ccc(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1[N+](=O)[O-] 2323652916 RBCUOSPDWGCLDP-UHFFFAOYSA-N 454.870 3.621 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@](CNC(=O)OC(C)(C)C)(C(=O)O)C(C)(C)C 2325063636 KMCRVJUVJRWVMC-OAQYLSRUSA-N 495.708 3.876 50 10 JHGE C[C@H](Br)CN(C(=O)c1c(Br)c(Br)nn1C)C(C)(C)C 2338863494 LCISXFQRXCKBDN-ZETCQYMHSA-N 460.008 3.969 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC(F)(F)C[C@]1(C)CBr 2364022391 OZFBRSMZKNOFDV-SNVBAGLBSA-N 479.945 3.580 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)cc(C)c1Cl 10460144 NSHZOJJHIYHHFE-UHFFFAOYSA-N 454.379 3.644 50 10 JHGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 12503110 COUGRJYSTFIUAK-UHFFFAOYSA-N 470.378 3.562 50 10 JHGE CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(SC#N)c1C 14017388 VOFSSQRZPKBJLE-HNNXBMFYSA-N 493.632 3.846 50 10 JHGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCC#N 58891675 LRRHSQZYMCTHRN-SMNNTEATSA-N 460.328 3.714 50 10 JHGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2c3ccccc3cc3ccccc23)n1 59879696 NMMUQOWPJHKHJI-SQAVSUBZSA-N 475.578 3.841 50 10 JHGE O=C(Cl)c1c(I)cnc(I)c1OC(F)(F)F 396175700 AANNYWFXUQIPOH-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE CCOC(=O)COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c1 914741605 CRPWWWRHCOMIJF-MTCPJELPSA-N 451.523 3.772 50 10 JHGE COc1cc(C=NNC(=O)c2ccc(O)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 1081086726 ZVBTVKRHLSTQIB-UHFFFAOYSA-N 460.895 3.586 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)COc2c(C)cc(C)cc2C)c1C 1083931044 XMLCSNBZVJHGAK-UHFFFAOYSA-N 465.510 3.860 50 10 JHGE C=CCc1cccc(C=NNC(=O)[C@H](C)Nc2ccc(I)cc2C)c1O 1083974960 IMCXAYFTOSLDGI-AWEZNQCLSA-N 463.319 3.984 50 10 JHGE COc1ccc(Br)cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC=C(C#N)CC1 1636504435 CBKGBYIXDSGPOY-QGZVFWFLSA-N 450.333 3.706 50 10 JHGE CCOC(=O)c1cc(CBr)c(OC(F)(F)F)c(I)n1 1848387609 HLPARAGNWSTPTI-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)nc1C 1858692891 KIOOACFBPHEUTI-UHFFFAOYSA-N 471.451 3.586 50 10 JHGE Cn1c(=O)n(C)c2cc([C@H](Br)[C@H]3C[C@H]3Br)c(Br)cc21 1887726097 WSZRMLKXGFTYEU-BLYIZYRKSA-N 452.972 3.859 50 10 JHGE CC1(C)CC[C@H](Br)[C@H](CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1927037473 ALDLUDJQGDBAAT-YJBOKZPZSA-N 485.444 3.572 50 10 JHGE C[C@@H]([C@@H](Br)c1cc(Br)cc(Br)c1)S(=O)(=O)N(C)C 2029074360 JUHSNCJXHUDHOP-WRWORJQWSA-N 464.017 3.928 50 10 JHGE C[C@H](Br)CN1CCN(C(=O)c2cc(Br)ccc2Br)CC1 2170214981 ADUBIWOGVZRJQV-JTQLQIEISA-N 469.015 3.753 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179865710 WEIJORZLVXPRBW-XLIONFOSSA-N 452.418 3.585 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2240733190 NZELOHBMMWHXJG-ZWOKBUDYSA-N 497.455 3.811 50 10 JHGE CO[C@@](C)(CBr)CNC(=O)Cc1cc(Br)cc(Br)c1 2277914076 DXRSEMODQDFNFM-ZDUSSCGKSA-N 457.988 3.670 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H](F)[C@H](CBr)C1 2277932308 ZEBHJGMQKOWZTF-BXKDBHETSA-N 457.963 3.946 50 10 JHGE COC(=O)C(C#N)=Cc1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 2293189882 SROYMOFWLVVLDR-UHFFFAOYSA-N 476.485 3.537 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1OC 2313743443 MXEUKUOJHIRBCS-UHFFFAOYSA-N 491.569 3.632 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C2CCC1(CBr)CC2 2338849983 NXBQBYFWICMIEJ-UHFFFAOYSA-N 483.428 3.565 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Br)CC12CC2 2338853591 YHUUJMZOYGICGU-INIZCTEOSA-N 483.428 3.565 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)c1ccnc(CBr)c1 2338989676 DTUTWPFFLDFGIK-UHFFFAOYSA-N 452.976 3.871 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@@H](CCl)C[C@H]2CCCC[C@H]21 2358971165 MOKCJXFJHPVGQJ-GPMSIDNRSA-N 453.004 3.511 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)C12CCC2 2379722322 VGIUSSFDFLUCMR-LPHOPBHVSA-N 497.455 3.716 50 10 JHGE C[C@@]1(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@@H]2Cl 2380919065 RKOQWDTZTWUMPF-FMERGGRFSA-N 453.004 3.558 50 10 JHGE CCOc1ccc(CC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OCC 12491156 DBOVRFSDXCHVRM-ZDUSSCGKSA-N 455.338 3.948 50 10 JHGE C/C(=N\NC(=O)C(=O)N/N=C(\C)c1cccc(Br)c1)c1cccc(Br)c1 13988692 CNRZUUQZMURPGP-XHQRYOPUSA-N 480.160 3.592 50 10 JHGE CC1CCC(NC(=O)CCC(=O)NNc2nc3ccccc3c3nc(-c4ccccc4)nn23)CC1 20286949 DQGDISQZMXNGAF-UHFFFAOYSA-N 471.565 3.863 50 10 JHGE O=C1C[C@H](I)[C@](c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1 33902584 UBQSMYZUMKSSBD-REWPJTCUSA-N 488.369 3.687 50 10 JHGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Oc1cccc2cccnc12 40752172 VHUANOCLYDHYLX-UHFFFAOYSA-N 451.284 3.919 50 10 JHGE COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 48573206 PAADGZMZVBAWTA-VULFUBBASA-N 481.892 3.665 50 10 JHGE C[C@@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H]1CCBr 707411538 ZUATYVJFQPPDNE-QAPCUYQASA-N 485.444 3.524 50 10 JHGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1OC 1084450860 VMAZODDSYNSPNM-UHFFFAOYSA-N 490.604 3.927 50 10 JHGE C/C(=C\C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccco1 1135559842 UEMBOZHAVHHXNN-WYMLVPIESA-N 459.911 3.598 50 10 JHGE Cc1c(C(=O)N=c2cc[nH]cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747140 FGVLEYYBXNHUEQ-UHFFFAOYSA-N 467.869 3.689 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703999 KJLKISIMYVFNQW-OAQYLSRUSA-N 465.469 3.859 50 10 JHGE Cc1ccc(SCCCC(=O)NNC(=O)c2ccccc2I)cc1 1865755726 NNPATXAHEXYBHT-UHFFFAOYSA-N 454.333 3.933 50 10 JHGE CC(C)(C)OC(=O)NCC[C@@H]1CCN(CCI)[C@@H](C(F)(F)F)C1 1900564347 GWVZNWIEPBCXQJ-VXGBXAGGSA-N 450.283 3.979 50 10 JHGE Brc1cccc(Br)c1CO[C@H]1COC[C@@H]1I 1901778082 OQISTXHBUUEUQN-QWRGUYRKSA-N 461.919 3.931 50 10 JHGE Cc1cc(-n2c(C)nc(I)c2I)c(CCl)cn1 1941542012 ANBNIZHKPZTSQM-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE CC[C@@H](C)[C@@H](CI)NC(=O)c1ccc(I)cc1 2023037269 IZBCVHPFEAEBIJ-BXKDBHETSA-N 457.093 3.871 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CC[C@H](OCCBr)C1 2046759540 UJAUYVMVNMJFOG-ZETCQYMHSA-N 462.001 3.899 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2Br)C[C@H]1Br 2130824378 RAIBGASYOPOWGD-XXILOJSOSA-N 455.972 3.882 50 10 JHGE C[C@@H](Br)CN1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 2170215686 ICWLERKRFQYZTQ-SNVBAGLBSA-N 469.015 3.753 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCCI)C[C@@H]1C(F)(F)F 2211189431 ITHMDTBBESUKRY-NWDGAFQWSA-N 450.283 3.979 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1COC2(CCN(CCCCCI)CC2)C1 2214695425 GOCFDFJHEZEABL-HNNXBMFYSA-N 452.377 3.740 50 10 JHGE Clc1cc(CN2C[C@H]3CCO[C@]3(CBr)C2)ccc1I 2231254856 NNYYKGXGMQUGTM-BXUZGUMPSA-N 456.549 3.930 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1 2297551835 NTVIEJKGUWTVMD-UHFFFAOYSA-N 477.542 3.857 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)C1(C(=O)O)CCC(C)(NC(=O)OCc2ccccc2)CC1 2321845761 NJLMOSZAGTYKFR-ZGDXVETISA-N 453.377 3.784 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)c1 13976465 VKDDYFKJBLVBPC-UHFFFAOYSA-N 471.623 3.896 50 10 JHGE COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 33891170 KZDMROUUPBBTDK-NVNXTCNLSA-N 459.296 3.864 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)cc1 40825297 PZLXMCKOQGKVFN-ZXVVBBHZSA-N 491.573 3.698 50 10 JHGE CCOc1cc(/C=N/NC(=O)CSc2nnc(N)s2)ccc1OCc1ccc(C)cc1 40947205 IIDLSCGDPJVRTF-FOKLQQMPSA-N 457.581 3.649 50 10 JHGE N#C/C(=C\c1cc(Br)c(N2CCCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 59302848 AZHZCENFVFIOHR-SSMIOMIASA-N 451.328 3.850 50 10 JHGE COc1ccc(C(=O)NC2=N/C(=C(\C#N)C(=O)Nc3ccccc3)c3ccccc32)cc1OC 102597211 NQWOSGJDZUCUQC-BSYVCWPDSA-N 452.470 3.767 50 10 JHGE CCCN(CCC)CN1C(=O)/C(=N/NC(=O)CSc2nc3ccccc3o2)c2ccccc21 102647645 JDSBOSQRQRXFII-HPNDGRJYSA-N 465.579 3.867 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)c2cccc(Br)c2)C1 118671862 DDVUHHOXQALZPO-LLVKDONJSA-N 475.040 3.911 50 10 JHGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\NCCc2ccc(OCC)c(OCC)c2)cc1 217104199 YEBFUGWHGSGQEE-JZJYNLBNSA-N 451.523 3.839 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2ccc(Br)cc2Br)C1 382023174 PVEOROFDXASKGB-NXEZZACHSA-N 455.972 3.836 50 10 JHGE C[C@H](CBr)CN(C)S(=O)(=O)c1cc(Br)ccc1Br 689002550 NHLRKGGPDGECCA-MRVPVSSYSA-N 464.017 3.863 50 10 JHGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 1083973793 DOHNKSSOHLMPOY-UHFFFAOYSA-N 464.909 3.755 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3cc(C)ccc3F)cc2)cc1 1632145595 ODCNHJYPCVRNHG-UHFFFAOYSA-N 455.511 3.572 50 10 JHGE O=S(=O)(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)C1CC(OCc2ccccc2)C1 1877514767 VIQLXZYAJRNDHG-SSHXOBKSSA-N 456.324 3.617 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1ccc(I)c(Br)c1 1910143804 QDSWIOUJJLKGRK-DTWKUNHWSA-N 472.946 3.909 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CC[C@](C)(CI)O1)CO2 2005247386 WONKQUXKRMFENF-AEFFLSMTSA-N 451.345 3.919 50 10 JHGE N#CCc1c(I)ccc(CBr)c1I 2060169769 SMFXWJZDBOBMEG-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1cc(C)c(Br)s1 2081254485 ZMQWVSZCUBYFEM-CBAPKCEASA-N 466.204 3.947 50 10 JHGE O=S1(=O)C[C@H]2C([C@@H](Br)c3ccc(Br)cc3Br)[C@@H]2C1 2083334009 QESBDPQNYDERTA-LNLATYFQSA-N 458.997 3.938 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC12CCC2 2163050381 JJHRSJBCVNOUMA-MRXNPFEDSA-N 459.406 3.649 50 10 JHGE CCCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)cc1CBr 2179858209 LMOFJFFWLCQQMY-QGZVFWFLSA-N 454.434 3.688 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H](CCl)OCC12CC2 2183965049 DJLSXNWIWDSERQ-JTQLQIEISA-N 470.532 3.666 50 10 JHGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257370853 BLFORANCWKJKHI-UHFFFAOYSA-N 492.768 3.584 50 10 JHGE CC(C)[C@H]1C[C@](NCC2CC(Br)C2)(C(=O)O)CN1C(=O)OCc1ccccc1 2324779241 JLXYZKVPKMXLOZ-YMPMHWPESA-N 453.377 3.640 50 10 JHGE CN(C1(CBr)CCCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338846507 ZSGOMOUTIJVKLF-UHFFFAOYSA-N 485.444 3.812 50 10 JHGE CN1CCC(CBr)(NC(=O)c2cc(Br)c(Br)s2)CC1 2352618027 RMCHAOGXONVZHQ-UHFFFAOYSA-N 475.044 3.862 50 10 JHGE O=C(Cc1ccccc1Br)NCC(F)(F)C(F)(F)CI 2361684719 QVTLATNNLVZCPV-UHFFFAOYSA-N 468.026 3.813 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCC[C@H](C1)C2Cl 2364208397 IMONCFLJXHIOAC-XEWABKELSA-N 453.004 3.512 50 10 JHGE Cc1cccc(C(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 13976491 UOKFKXXDSWOUBW-UHFFFAOYSA-N 478.412 3.904 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccccc2)cc1Br 14041442 GWYGQROPUDDXPF-UHFFFAOYSA-N 464.385 3.506 50 10 JHGE O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(N(CCCl)CCCl)cc1 103812961 YLNFHXVETVLFTF-SILNSSARSA-N 460.361 3.675 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1cc(Br)ccc1Br 161201768 WCUXFFXPZWQBRV-PSASIEDQSA-N 455.972 3.836 50 10 JHGE Cn1nc2c(c1NC(=O)N[C@@H]1CC(C)(C)C[C@](C)(CN=C=O)C1)CN(C(=O)OC(C)(C)C)CC2 170290791 XSDUOWNAXZQBRJ-VOIUYBSRSA-N 474.606 3.756 50 10 JHGE COc1ccc(C=NNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1COc1ccc(Cl)cc1 252598046 CXRMYRBVVZVVOV-UHFFFAOYSA-N 457.874 3.573 50 10 JHGE O=C(NN=C/C=C/c1cccc([N+](=O)[O-])c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254508950 CYNKMMBMMLPNOE-XMONYMIGSA-N 484.468 3.910 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccccc3O)nc3ccccc3c2=O)cc1 254739054 RYINVIUMFGFONS-UHFFFAOYSA-N 474.542 3.732 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)cc1 254742068 UENHUBXAWXXLDC-UHFFFAOYSA-N 463.446 3.660 50 10 JHGE O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)NNc1ccc(F)c(F)c1F 728715410 CZCYXIDLPYUXCT-UHFFFAOYSA-N 475.246 3.854 50 10 JHGE CCOC(=O)c1c(N)sc(C(C)=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 1083943282 BLRXGGBEQLMWGK-UHFFFAOYSA-N 451.548 3.592 50 10 JHGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1 1084064635 VQTOHWLPEMYSRO-HXUWFJFHSA-N 482.606 3.716 50 10 JHGE COc1ccccc1[C@H](CNC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)N(C)C 1087615073 ZRQAETNBQFCVNL-RSLVDXKVSA-N 450.583 3.619 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 1455415939 JINLOONQOUCAIL-QFIPXVFZSA-N 458.543 3.653 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 1622716653 NYTIFOMMGYQNMQ-MRXNPFEDSA-N 453.495 3.941 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865709016 LKYBWHLCXZGZMQ-KRWDZBQOSA-N 454.408 3.955 50 10 JHGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865710509 ZWFLVAMCELPHNK-OAQYLSRUSA-N 477.452 3.530 50 10 JHGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1ccc2ccccc2c1 1865852444 WSKWDUQVZVQJEY-UHFFFAOYSA-N 454.511 3.739 50 10 JHGE CN(C[C@H]1C[C@H]1Br)C(=O)c1ccc(I)c(Br)c1 2020198696 QDSWIOUJJLKGRK-RKDXNWHRSA-N 472.946 3.909 50 10 JHGE C[C@H]([C@@H](Cl)c1cc(Br)ccc1I)S(=O)(=O)N(C)C 2029076321 YITBLKZJTQEIDC-RDDDGLTNSA-N 466.566 3.614 50 10 JHGE COC(=O)Cc1ccc(OC(F)(F)F)c(CBr)c1I 2055377042 UPKMECOTCQYTRX-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1cc(C)c(Br)s1 2081254484 ZMQWVSZCUBYFEM-APPZFPTMSA-N 466.204 3.947 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2C[C@@]2(CBr)C1 2086147465 NLLAQKJINZXBNU-AMIZOPFISA-N 484.957 3.911 50 10 JHGE O=C(NCC[C@H]1COC[C@H]1Br)c1ccc(Br)cc1Br 2111279147 GJWHLKAOJDHYFP-QPUJVOFHSA-N 455.972 3.741 50 10 JHGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)N1CCCC[C@H]1CBr 2179820371 XKSDUMOATFMAFH-OTWHNJEPSA-N 459.450 3.796 50 10 JHGE O=C(N[C@H](CCl)C[C@@H]1CCOC1)c1cc(Br)ccc1I 2195509239 ZXOMCBOZENZWFI-ONGXEEELSA-N 472.548 3.818 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC12CCC(Cl)CC2 2202246648 ITJABDGRDVCNDP-UHFFFAOYSA-N 453.004 3.655 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2ccc(Cl)cc2I)C1 2340049856 KOVJZIFPFWMHLG-VHSXEESVSA-N 458.521 3.569 50 10 JHGE Cl[C@H]1[C@@H]2COC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349857366 PRECSFJAEMVJAL-GNXNZQSNSA-N 456.549 3.739 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CBr)CCC1CC2 2364215600 KNFCJXKFRBKLEQ-UHFFFAOYSA-N 497.455 3.812 50 10 JHGE CC(=O)N1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2cccc(Cl)c2)C3)c2ccccc21 2348551 QGOWFMNANXUBOE-SGANQWHYSA-N 459.889 3.596 50 10 JHGE COc1ccc(C(=O)N2CCC[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3)C2)c2ccccc12 27639062 LDQBJEQATKSESS-QGZVFWFLSA-N 465.937 3.815 50 10 JHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 40607748 FDXWIWJVGGCQAP-UHFFFAOYSA-N 460.859 3.783 50 10 JHGE N#C/C(=C/Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1 102902135 QIHPKWNDUHZESU-RAXLEYEMSA-N 459.940 3.797 50 10 JHGE COC[C@H](CCBr)NC(=O)c1cc(Br)ccc1I 228237132 AMWDJEHXHDWURM-VIFPVBQESA-N 490.961 3.584 50 10 JHGE CO[C@H]1C[C@H](CCl)N(C(=O)c2cc(Br)ccc2I)C1 311535051 MBBAJWHBRZJOFT-ZJUUUORDSA-N 458.521 3.522 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](CBr)C1 721594027 NJECIVDYQNOWNY-QMMMGPOBSA-N 472.946 3.911 50 10 JHGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 1084192430 GCJPTFAHABGKQO-UHFFFAOYSA-N 458.547 3.970 50 10 JHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccncc2)c2ccc(C(C)C)cc2)cc1 1084310005 GSPIIROPEVGOBA-UHFFFAOYSA-N 450.564 3.859 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1C[C@@H]1CCCO1 1087795380 ZMHQWXFSPJTVEL-LUPSEXQWSA-N 466.626 3.832 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)cc1 1202963106 ZDGLQFINHKVVKR-INIZCTEOSA-N 455.511 3.773 50 10 JHGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 1623909343 FZJWEXRLAFRBDC-IBGZPJMESA-N 457.527 3.869 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCCc4ccc(Cl)cc4)c(=O)c23)C1 1860771533 ZKVMYMYSFFZQDQ-LSDHHAIUSA-N 487.025 3.968 50 10 JHGE O=C(N[C@H]1C[C@@H](CBr)C1)c1cc(I)ccc1Br 1942437142 NEAPNNMRZGTGRH-OTSSQURYSA-N 472.946 3.957 50 10 JHGE C=C[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 1993700222 YBZXDUGZWYDVNS-QMMMGPOBSA-N 458.919 3.733 50 10 JHGE C[C@@H]([C@@H](Br)c1cccc(Br)c1Br)S(=O)(=O)N(C)C 2031483297 BRDWATSOTQUTQT-OIBJUYFYSA-N 464.017 3.928 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1csc(Br)c1Br 2032953860 RMYHFSNATRVADL-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)[C@H]2COC[C@H]21 2040608979 XLZXGYIZQVBYTJ-GJMOJQLCSA-N 459.985 3.507 50 10 JHGE C[C@@]1(NS(=O)(=O)c2ccc(CBr)cc2)CCN(C(=O)OCc2ccccc2)C1 2044407327 VUJPIDSZOPBJGT-HXUWFJFHSA-N 467.385 3.661 50 10 JHGE C[C@H](Br)CN1CCN(C(=O)c2cc(Br)sc2Br)CC1 2113854420 QSPHKUIIWUERPR-QMMMGPOBSA-N 475.044 3.814 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1ccc(CBr)s1)C2 2123240974 CRTZBPKGQLQBCY-VQIMIIECSA-N 455.443 3.786 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](F)[C@H](CBr)C2)cc1Br 2177127573 DXBPUGZKZXAELM-LDYMZIIASA-N 494.018 3.874 50 10 JHGE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1c[nH]c(CBr)c1 2179865411 RCMNUYRREZOQTG-UHFFFAOYSA-N 454.434 3.975 50 10 JHGE CN1CCN(C(=O)c2cccc(Br)c2Br)[C@@H](CCBr)C1 2202811518 FQPPFHWNXYZLNN-JTQLQIEISA-N 469.015 3.753 50 10 JHGE CCN(CCBr)CCC[C@H](C)NS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 2204137220 IJSPLAXUOUUGPV-IHPCNDPISA-N 461.466 3.539 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@H]1Cl)c1cc(I)ccc1Br 2206485721 JJOMVDJOVHJIRQ-RYUDHWBXSA-N 470.532 3.712 50 10 JHGE Cc1cc(C(=O)N2C[C@H](CCBr)O[C@H](C)C2)ccc1I 2207110442 HFHLJXICOHBILY-YPMHNXCESA-N 452.130 3.614 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)N[C@H]1C[C@@H](Br)C1 2221687607 FKZQCVPPKNRETA-GUTXKFCHSA-N 476.209 3.927 50 10 JHGE Cn1nc(Br)c([C@H](Br)c2cc3c(cc2Br)OCC3)n1 2226986600 KADBVNVDYWHCGT-SNVBAGLBSA-N 451.944 3.759 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268352287 ZJFXAVYATGDCGU-VHSXEESVSA-N 458.521 3.569 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@H](Br)[C@@H](Br)C1 2301791496 FOJSSPFEHHYVIU-IUCAKERBSA-N 493.364 3.927 50 10 JHGE CCOc1cc(C=CC(=O)NN)cc(I)c1OCc1ccccc1Cl 2314013513 DMPOVSOXOUGBIU-UHFFFAOYSA-N 472.710 3.925 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCCN(C(=O)OC(C)(C)C)C1 2325588890 VLQUKEXBGXFWHW-OAQYLSRUSA-N 493.692 3.727 50 10 JHGE CC(C)[C@H]1C[C@@](C(=O)O)(N(C)C[C@H]2C[C@@H](Br)C2)CN1C(=O)OCc1ccccc1 2350456158 NLKULGJOVPGTRD-VQQMMKBISA-N 467.404 3.982 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N1CC[C@@H](SC(F)F)C1 2365715456 FEXYBAVTGAYBOP-SSDOTTSWSA-N 455.140 3.656 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc2)c1 13619652 MWKWXENGKCKFCI-DEOSSOPVSA-N 473.529 3.880 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14024945 MKDRIGDIUHBJBT-UHFFFAOYSA-N 455.736 3.977 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2ccccc2OCCC(C)C)cc1I 14033680 ZAIFRODBXQKIKW-UHFFFAOYSA-N 482.318 3.800 50 10 JHGE CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(Br)s1 24307055 LOMUPQMXCYUDMJ-BONVTDFDSA-N 472.792 3.770 50 10 JHGE COc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)ccc1Oc1c(F)c(F)c(F)c(F)c1F 33924291 IIOVKOGBLNPLMC-WDZFZDKYSA-N 491.376 3.890 50 10 JHGE CCCCCN1C(=O)/C(=N/NC(=O)CCNC(=O)c2ccccc2Cl)c2cc(OC)ccc21 33959387 ZNDKQNOTIHLJIK-XAYXJRQQSA-N 470.957 3.526 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38688119 NBRZXCFQOGIDRL-DHIUTWEWSA-N 471.425 3.558 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 40852977 KHYQQDVGZGFFDV-UFFVCSGVSA-N 450.289 3.890 50 10 JHGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3)n2N)cc1 58988650 ZSRLXYUCPGNCGR-KOEQRZSOSA-N 451.600 3.528 50 10 JHGE COc1ccc(/C=C(C#N)/C(O)=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 100930985 IOKDLOXZSHOAAV-MVPFZZEBSA-N 454.490 3.512 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611530 CMBDSUYIULCUMK-ZXVVBBHZSA-N 494.935 3.552 50 10 JHGE CC(CC(=O)NC12CC3CC(CC(C3)C1)C2)=NNC(=O)c1ccccc1I 252462916 XIGVKVZRGNNMFW-UHFFFAOYSA-N 479.362 3.872 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1scc(Br)c1Br 705409914 PLKZDSSFRCGKJD-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)c(C)n1-c1ccc(F)cc1 726762822 DVEWQHVKRKLLKB-KGENOOAVSA-N 489.555 3.773 50 10 JHGE O=C(NNC(=O)C1CCN(c2ncccn2)CC1)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 728847693 LGMLCMRNEKISDO-JWGURIENSA-N 479.943 3.874 50 10 JHGE CC(=O)c1cc(NC(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1F 1466491916 YCZSBUMZNXQADI-UHFFFAOYSA-N 451.454 3.839 50 10 JHGE COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3F)nc2C)cc1OC 1865759693 NGTJCEYGCQAQFN-UHFFFAOYSA-N 455.461 3.746 50 10 JHGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)cc2)n1 1866127529 OFUBLSJADYOIKD-SFQUDFHCSA-N 451.483 3.579 50 10 JHGE C[C@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867077193 FQTOUWTVVXYUEV-KRWDZBQOSA-N 483.594 3.925 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3cc(Br)c(Br)s3)[C@@H]2C1 2006160726 VRTQJGIYVUPQAH-MKTOGPLKSA-N 465.026 4.000 50 10 JHGE O=C(C=Cc1cn(-c2ccccc2)nc1-c1ccccc1)NNC(=O)c1ccc2c(c1)OCO2 2040430275 PCLZBUXXPYDGJP-UHFFFAOYSA-N 452.470 3.742 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H](CBr)[C@@H](F)C1 2056988330 CLJPICFQBPZNQT-XVKPBYJWSA-N 490.936 3.859 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2csc(Br)c2Br)C1 2077902859 UTEABLRHBCKMGB-JCJUMFQOSA-N 462.001 3.945 50 10 JHGE CCCN1CC[C@@H]([C@@H](Br)c2ccccc2I)S1(=O)=O 2089533623 AFSWNBSYXVRTHQ-STQMWFEESA-N 458.159 3.541 50 10 JHGE O=C(c1csc(Br)c1Br)N1CCN2C[C@@H](Br)C[C@H]2C1 2093941842 DDRWEZBHVIBEBK-YUMQZZPRSA-N 473.028 3.567 50 10 JHGE CN(C1(CBr)CCCCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2113922107 MCADWSSJKASZKJ-UHFFFAOYSA-N 485.444 3.812 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)c2c(Br)cccc2Br)CCO1 2117532786 VDLIZODQEYSOJL-KWQFWETISA-N 455.972 3.836 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1cc(Br)cc(Br)c1 2178908352 WLXSBNGTSHECQA-QWHCGFSZSA-N 469.015 3.751 50 10 JHGE Cc1csc(CN(C)S(=O)(=O)c2cc(CBr)sc2Br)n1 2179775064 JJTBEMQSEXTFKB-UHFFFAOYSA-N 460.238 3.991 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1ccc(CCBr)s1)C2 2179819191 JIHIMCBWZCTPEX-PXNSSMCTSA-N 469.470 3.828 50 10 JHGE C=C[C@]1(CCl)COCCN1C(=O)c1cc(I)ccc1Br 2199878791 RKSMVCZSWLXFFT-AWEZNQCLSA-N 470.532 3.690 50 10 JHGE O=S(=O)(N[C@@H]1CC[C@H]1CBr)c1cc(Br)ccc1Br 2218393882 QYYWLDMIEPEPAP-OIBJUYFYSA-N 462.001 3.663 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)CC12CCCC2 2232243047 JZZXPGDZSJQJFZ-INIZCTEOSA-N 483.428 3.565 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2233854384 RLLOPZREXMTMJV-TXPKVOOTSA-N 497.455 3.524 50 10 JHGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2256638222 ZPWMHPASLYNFEZ-DEOSSOPVSA-N 492.768 3.522 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2OCC[C@]2(CBr)C1 2296380004 GSSJFYJUOHTKTE-FZMZJTMJSA-N 467.983 3.838 50 10 JHGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)N1CCOCC1 2296720895 QATOXQHCWLDTHH-UHFFFAOYSA-N 471.300 3.559 50 10 JHGE CC(C)(C)OC(=O)N1CCC2(CCN(CCOCCI)CC2)CC1 2306804315 HGKTZHJSTAXLOK-UHFFFAOYSA-N 452.377 3.551 50 10 JHGE CCOC(=O)c1cnn(-c2ccc(C)cc2)c1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703512 OABQBGYEDVBPOV-UHFFFAOYSA-N 460.490 3.920 50 10 JHGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2)cs1 2331344352 HSBCMUSPCWWSDN-UHFFFAOYSA-N 450.407 3.946 50 10 JHGE CC1CC(CBr)(N(C)C(=O)c2c(Br)c(Br)nn2C)C1 2338684213 LJIRVOBFLJFLNP-UHFFFAOYSA-N 457.992 3.581 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCC[C@@H](CBr)C1 2338836344 KVWXJZHQGWYJFL-IAGOWNOFSA-N 485.444 3.716 50 10 JHGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1cccc([N+](=O)[O-])c1 9779784 HCKRFJLKBULLSB-UHFFFAOYSA-N 463.071 3.504 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 38653540 FQEATIMOLDGYMF-XMMPIXPASA-N 473.441 3.806 50 10 JHGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1OC 38688634 IUCUOAWGKAKFHB-DNQXCXABSA-N 486.480 3.667 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610855 BWNXZVDIZLUZOZ-ZXVVBBHZSA-N 478.936 3.716 50 10 JHGE O=C(NCC1(CBr)CC1)c1cc(Br)ccc1I 232471547 LMDNFRRVHJJFGQ-UHFFFAOYSA-N 472.946 3.959 50 10 JHGE Cn1cc(Br)cc1C(=O)NNC(=O)CCc1nc2ccccc2n1-c1ccccc1 758694573 GXMCKQCIWWYPRR-UHFFFAOYSA-N 466.339 3.520 50 10 JHGE CCC/C(C)=C\C(=O)NNC(=O)COc1c(I)cc(Cl)c2cccnc12 920287482 DBLQNKPBYCVANY-FLIBITNWSA-N 487.725 3.765 50 10 JHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3)S(C)(=O)=O)c2C)cc1C 1084469533 XUNUMNRITGGCQS-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE CCOC(=O)Cc1ncc(OC(F)(F)F)c(I)c1CBr 1848387677 NJFIQZJMFQRWCI-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CC(C)Oc1cccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860771026 GXEIMKWXSDIGKP-YVKRRXEKSA-N 494.617 3.792 50 10 JHGE C[C@@H](C(=O)N/N=C\c1ccc(Br)cc1F)n1cnc2sc3c(c2c1=O)CCCC3 1860774474 YWAQVBSIHNKMIE-GUUVYQKGSA-N 477.359 3.950 50 10 JHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)[C@H](CCl)C1CC1 1978677857 QILJSQOZKBNAIW-ZJSXRUAMSA-N 493.000 3.860 50 10 JHGE N#CCc1cc(I)c(I)cc1CBr 2060169368 JOQGAMVWEBRMHQ-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE CC(C)(CNC(=O)c1ccc(Br)cc1I)OCCCl 2142284884 IYJXZNWETQWQRN-UHFFFAOYSA-N 460.537 3.818 50 10 JHGE CC(C)n1cc(S(=O)(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cc1CBr 2179858327 NCIRVTUHNAGNFU-GOSISDBHSA-N 454.434 3.859 50 10 JHGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1cc(Cl)ccc1I 2195500399 USCSXUFLBHHAGX-KOLCDFICSA-N 472.548 3.865 50 10 JHGE CC(C)(CI)CN1CCC(OCCCNC(=O)OC(C)(C)C)CC1 2306808965 FNWVCPXJQXPBRV-UHFFFAOYSA-N 454.393 3.843 50 10 JHGE COC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C)cc2Br)c(OC)c1 2314730605 JSLFYXJARMHMDJ-UHFFFAOYSA-N 460.280 3.831 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NN=Cc4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 2325903311 WJYZEKBADBJUKW-NWDGAFQWSA-N 473.942 3.856 50 10 JHGE CC(C)[C@H](Br)C(C)(C)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2340303353 NFAKWEGBVDWCAP-KRWDZBQOSA-N 487.460 3.674 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](Cl)[C@H]1C2 2364216559 PAUMNAZUGVWBTD-NSISKUIASA-N 453.004 3.655 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccccc1Br 12500901 UZXGSFFENGYTBA-VIFPVBQESA-N 491.194 3.859 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(OC(C)C)cc3)cc2)c1 14039053 SQNCUKWNWQYGME-UHFFFAOYSA-N 490.585 3.984 50 10 JHGE Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)CCl)C1 34900466 DFTVIWOLUWMRPT-CEWLAPEOSA-N 462.034 3.656 50 10 JHGE CCOc1cc(/C=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 36046978 MFAYWSPNEPIHKC-AZEPNKIOSA-N 485.540 3.593 50 10 JHGE CCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 38608310 BWJAFYNSFBAKAL-DEDYPNTBSA-N 476.529 3.946 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 254393423 VTOFPVQFTCFMDG-UHFFFAOYSA-N 463.559 3.593 50 10 JHGE BrCc1ccc(-n2cnc(I)c2I)cc1 306255329 VMAXRAFJNRKEQO-UHFFFAOYSA-N 488.892 3.976 50 10 JHGE CC(C)N(CCOCCBr)C(=O)c1ccc(F)cc1I 383384256 VZRNODOXDLSJRS-UHFFFAOYSA-N 458.109 3.692 50 10 JHGE C=CCc1ccccc1OC[C@@H](O)CN[C@]1(C)CC[C@H](C(C)(C)NC(=O)CBr)CC1 575627925 UAXZWLFRPNDCMX-MZLICYQSSA-N 481.475 3.983 50 10 JHGE in-vitro C[C@@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)CC(=O)N2C 728278475 HDGKRFJQLCAZAV-SDLXJUDFSA-N 464.529 3.767 50 10 JHGE C#CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OCC 1084180518 NUIGFNRKKNAKMA-IBGZPJMESA-N 459.340 3.824 50 10 JHGE O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 1087625271 RSSQDKDZBKYCMH-WSDLNYQXSA-N 472.549 3.685 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3cccc(Br)c3)c(=O)c2c1-c1ccccc1 1860770070 RMLQSBRJLWIJEW-UHFFFAOYSA-N 497.374 3.657 50 10 JHGE C[C@H](C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860772163 SXTGXZSZZJJUPG-SNVBAGLBSA-N 465.362 3.666 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1993396008 FGILFBWMZPAIGW-DZUCGIPZSA-N 451.370 3.503 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1csc(Br)c1Br 2032953858 RMYHFSNATRVADL-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE O=C(Cl)c1c(I)ccc(I)c1OC(F)F 2060170126 AVMWYKUWELODRD-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE O=C(NC[C@@]1(CBr)CCCO1)c1cc(Br)sc1Br 2073633026 YLAZFXMZMFBPPK-NSHDSACASA-N 462.001 3.947 50 10 JHGE COc1ccc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 2179857553 AVMXQGVPPSDHAS-SFHVURJKSA-N 454.386 3.960 50 10 JHGE Cc1cc(C(=O)N2C[C@@H](CBr)OCC2(C)C)ccc1I 2207109476 XMVKQIHUHMQPBU-GFCCVEGCSA-N 452.130 3.614 50 10 JHGE N#CC(=Cc1cc(Br)ccc1OCC(=O)O)C(=O)NCCc1c[nH]c2ccccc12 2313557007 QRGPRARHBGFENR-UHFFFAOYSA-N 468.307 3.660 50 10 JHGE CCN1C(=O)COc2ccc(C(C)=NNC(=O)c3ccc(-c4ccccc4OC)nc3C)cc21 2321282966 IOHZERKBFAIXCK-UHFFFAOYSA-N 458.518 3.965 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4c(C)nc5ccccn45)c(=O)c23)cc1 2325904605 FYMZCQGQXIIMJN-UHFFFAOYSA-N 456.531 3.540 50 10 JHGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 2331122782 JLILWFDFWHIJCG-UHFFFAOYSA-N 496.545 3.663 50 10 JHGE O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 3657348 IJWXIBVKHQMEGZ-YDZHTSKRSA-N 464.390 3.830 50 10 JHGE COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 13979628 XVMQAVROJYYJJE-UHFFFAOYSA-N 492.551 3.714 50 10 JHGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C(\CCC(=O)O)c3cccs3)cc2)cc1 14360326 DIOIAKLDEDJFOE-NJNXFGOHSA-N 499.614 3.876 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(N3CCC(Cc4ccccc4)CC3)c2[N+](=O)[O-])cc1 40611776 YIQOISQYRDYXON-UHFFFAOYSA-N 462.510 3.609 50 10 JHGE Cc1ccc2c(Nc3ncnc(NNC(=O)c4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])cccc2n1 40658177 BXFKTGZNSMDTQC-UHFFFAOYSA-N 460.410 3.650 50 10 JHGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1cccc2cccnc12 40758380 NGWCXGLIJOMWEL-UHFFFAOYSA-N 450.300 3.870 50 10 JHGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)cc1 59384958 OXELZOOKJTYMEV-ATXJHCGVSA-N 477.373 3.723 50 10 JHGE COc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1OC 59447386 DOVTXBDGJTZWEK-UFWORHAWSA-N 458.106 3.698 50 10 JHGE CC(C)(C)OC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 210157147 QELUBUSZCPJCNC-LJQANCHMSA-N 458.467 3.917 50 10 JHGE CCN(CC)c1c(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)c(C)nn1-c1ccccc1 253574040 SCPVTIOCGOGJIW-OVVQPSECSA-N 458.566 3.918 50 10 JHGE CCOC(=O)[C@@H](Br)Cc1ccc(Br)c(I)c1 300890941 DRTGFFWLUXPGGE-VIFPVBQESA-N 461.919 3.923 50 10 JHGE C[C@H](Br)C(=O)c1cc(I)cc(I)c1 306730046 PAOOPRULWSZGIT-YFKPBYRVSA-N 464.866 3.862 50 10 JHGE COC1(CBr)CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC1 403028986 XIJXEDFCTLOOSE-UHFFFAOYSA-N 467.632 3.729 50 10 JHGE O=S(=O)(NC[C@@]1(CBr)CCCOC1)c1cc(Cl)c(Br)s1 700915884 KDFQIBYWLUCIRI-NSHDSACASA-N 467.632 3.634 50 10 JHGE COc1ccccc1NC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761415172 KLGKZOGPYSKROU-XMHGGMMESA-N 455.474 3.561 50 10 JHGE O=C(COC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1 768137394 KIOILWVQUVDUET-MTJSOVHGSA-N 497.866 3.932 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cccc([N+](=O)[O-])c1 1084286200 LVRZOMJKDYAPPW-UHFFFAOYSA-N 471.105 3.957 50 10 JHGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 1084346171 RBHFFJMOCQDQOM-UHFFFAOYSA-N 494.935 3.763 50 10 JHGE CC(=O)c1cccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)c1 1858683844 HVJHQTUCYBZAML-UHFFFAOYSA-N 468.397 3.960 50 10 JHGE Cc1sc2ncn(CC(=O)N/N=C/c3ccc([N+](=O)[O-])s3)c(=O)c2c1-c1ccccc1 1860773406 XYDLBWCVPIAXHQ-LSFURLLWSA-N 453.505 3.553 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc(-c3cccnc3)[nH]n2)cc1 1867157442 XBAYVSSNKFJKCG-JOCHJYFZSA-N 484.541 3.730 50 10 JHGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc(Br)c1O 1873795716 YTPFGNKQSIZRNC-WSDLNYQXSA-N 458.353 3.699 50 10 JHGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cnn(C)c1I 1915090166 IJRSFKAKPGWPSX-GFCCVEGCSA-N 476.156 3.841 50 10 JHGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1915299736 IDRVEBNQKRLJJM-FQEVSTJZSA-N 493.423 3.534 50 10 JHGE CC[C@@H](CBr)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1954681949 PFGZTYGZDHVNSH-HNNXBMFYSA-N 452.434 3.759 50 10 JHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1cc(Br)sc1Br 2036683936 VHBYRUHTNPFDIY-RQJHMYQMSA-N 462.001 3.945 50 10 JHGE CCS(=O)(=O)CC(CBr)(CBr)c1ccc(Br)cc1 2045274286 UXLZZTDAEVRDFQ-UHFFFAOYSA-N 463.029 3.911 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@H]2CCC[C@@]2(CBr)C1 2159408482 LNDIULCGHNRWFT-MEBBXXQBSA-N 450.114 3.634 50 10 JHGE CC(C)(C)OC(=O)N1CCc2cc(NS(=O)(=O)N3CCC(Br)CC3)ccc21 2162591188 IRJCYIVUAGFQBF-UHFFFAOYSA-N 460.394 3.500 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179822580 YISWBSCZTVEBRM-UHFFFAOYSA-N 453.402 3.912 50 10 JHGE C[C@@]1(F)CN(S(=O)(=O)c2cc(CCl)oc2Br)C[C@@]1(C)Br 2205656461 ULETWXXDNATWLP-GHMZBOCLSA-N 453.555 3.667 50 10 JHGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(OC)cc2)NC(=O)c2ccccc2)ccc1O 2297265787 XBBCQSJZNJDZHU-UHFFFAOYSA-N 459.502 3.721 50 10 JHGE CC[C@](C)(COc1c(Br)cc(Br)cc1Br)C(=O)NN 2343175248 TTWQHDPPURHHHS-GFCCVEGCSA-N 458.976 3.759 50 10 JHGE Cc1cccc[n+]1[C@@H]1[C@H](c2ccc(Br)cc2)C(C#N)=C(C(C#N)C#N)N[C@@]1(O)C1CC1 19805021 SDAQYBHKEWFTER-GMKZXUHWSA-N 475.370 3.513 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38655080 XOVRDLAJYZXLJU-NRFANRHFSA-N 458.386 3.940 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)Cc1cccc2ccccc12 41011399 YNZBEBFTJNBINQ-PXLXIMEGSA-N 456.498 3.762 50 10 JHGE CC[C@H](Br)CNC(=O)c1cc(Br)ccc1I 233981328 RIZTVLXHLZPJTO-ZETCQYMHSA-N 460.935 3.957 50 10 JHGE COc1cc(F)c([C@@H](Br)c2cnn(C)c2I)cc1OC 379226832 XAXWHSCAKZOWTI-GFCCVEGCSA-N 455.065 3.665 50 10 JHGE O=C(Cl)c1c(I)cc(I)nc1OC(F)(F)F 396184883 UFJJZMGZXGEGLB-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE CO[C@@]1(CCl)CCCN(C(=O)c2ccc(I)c(Br)c2)C1 721612923 JQYVBBDLYFUDSP-CQSZACIVSA-N 472.548 3.914 50 10 JHGE Cc1cc(C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c(C)n1-c1ccccc1 727364312 RHEYUFXDZWWOHQ-UHFFFAOYSA-N 487.604 3.819 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2cc(Cl)ccc2Cl)cc1 1558945448 LZOAHHZDKFLNOE-UHFFFAOYSA-N 458.367 3.740 50 10 JHGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1ccc(Cl)c(Cl)c1 1860770978 FGGXHNKMJCYSKX-UHFFFAOYSA-N 473.341 3.893 50 10 JHGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 1873795465 KUODNCDFXLDRCN-NXSNIQIJSA-N 493.196 3.917 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2CCC[C@H]1CC(Br)C2 1922801183 ZWPKXMBVCCUBFC-IRXDYDNUSA-N 483.428 3.563 50 10 JHGE O=C(N[C@@H]1C[C@@H]1CBr)c1ccc(I)c(Br)c1 1975552298 HSYHQFXRUGTGRJ-GMSGAONNSA-N 458.919 3.567 50 10 JHGE CC[C@@H](C)[C@H](CI)NC(=O)c1sccc1I 1993391818 ZURBMJLUJKVXTQ-APPZFPTMSA-N 463.122 3.932 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C#N)CC1 2010270636 XJEVZCNHKWHWEK-UUOWRZLLSA-N 461.562 3.817 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CCCC[C@@]2(CCl)C1 2238804437 CFVRBQYFYSACFV-VGOFRKELSA-N 453.004 3.514 50 10 JHGE CCOc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4CCCCl)C(=O)NC2=S)cc1 2296154536 IXGWOBSCXCBWCP-UHFFFAOYSA-N 469.994 3.908 50 10 JHGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCCOC(C)C)cc1 2296544470 JYGAJWPCQZJVOB-UHFFFAOYSA-N 460.534 3.942 50 10 JHGE N#CC(=Cc1ccccc1)C(=O)N1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1 2318453694 LKJQAVMQRHVXIC-UHFFFAOYSA-N 469.936 3.725 50 10 JHGE C[C@@H](Br)CN(C(=O)c1c(Br)c(Br)nn1C)C1CCC1 2338671228 VTKKYYQPZWPDCV-SSDOTTSWSA-N 457.992 3.723 50 10 JHGE O=S(=O)(N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)ccc1Br 2354925717 LMZRLERPDFODPB-GCWIYAPXSA-N 488.039 3.909 50 10 JHGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 33598872 WMHOUXBHQJIJFW-DICXZTSXSA-N 494.500 3.713 50 10 JHGE COc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40649482 BYSRLUTUGIEUIJ-UHFFFAOYSA-N 459.260 3.656 50 10 JHGE COc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 59679673 IISVWTMKJFPHOL-VULFUBBASA-N 464.474 3.510 50 10 JHGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 97475194 KBUPGIOFKNEDBX-JFJYUCGMSA-N 489.528 3.666 50 10 JHGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\NCCc2cccc(Br)c2)cc1OC 217175632 CYJNKSIDLKQWNH-LSVCFVEQSA-N 458.356 3.883 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H](CBr)O1 230046101 HKQZONYJUZJBBS-PSASIEDQSA-N 455.972 3.836 50 10 JHGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1O 252627923 SEDBVLNUWYKSOO-UHFFFAOYSA-N 474.502 3.791 50 10 JHGE C=CCc1cccc(C=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)c1O 254509523 HKAJFHNHEYQPAD-CQSZACIVSA-N 469.563 3.573 50 10 JHGE COc1cc(C=NNC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254868325 DTDDSWICHSRGKH-UHFFFAOYSA-N 462.462 3.693 50 10 JHGE CCn1nnnc1COc1c(Br)cc(CBr)cc1Br 697853959 VVHYNOKCNSXTTG-UHFFFAOYSA-N 454.948 3.692 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(C)n1-c1cccc(Cl)c1 729362517 CMEIYYMYOSZZBI-HVUZKSCUSA-N 482.028 3.713 50 10 JHGE CC(=O)N1C[C@H](c2ccc(C)c(I)c2)[C@@H](CI)C1 1614809198 OOSRIFWJXBVOHS-QWHCGFSZSA-N 469.104 3.597 50 10 JHGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(C3CC3)[nH]n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867149916 DTXXAYBNMJBXBK-QFIPXVFZSA-N 489.557 3.765 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cn(CCOC)c2ccc(OC)cc12 1873793577 QSUNPFFLPNJRTC-ZUZGZOPOSA-N 460.575 3.686 50 10 JHGE O=C(NC1CC(Br)C1)c1cc(I)ccc1Br 1986067409 IGSNEUDSULWLES-UHFFFAOYSA-N 458.919 3.709 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2csc(Br)c2Br)C1 2046668504 JTZDOUSXQWWTGN-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@]2(CBr)C1 2090125545 WBVFDWDZYSJYBO-PELKAZGASA-N 474.012 3.617 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CC12CCC(Cl)CC2 2157511858 XWVUZXLICVUCDB-YPHUNTSASA-N 453.004 3.560 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H](CCCl)O1 2179383407 MTBDSVPPYBYRNZ-MWLCHTKSSA-N 472.548 3.912 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC([C@@H]2CC2(F)F)C1 2179790011 YMUGQQFUUVOQQO-QMMMGPOBSA-N 451.152 3.681 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCI)C[C@H]1C(F)(F)F 2211189430 ITHMDTBBESUKRY-NEPJUHHUSA-N 450.283 3.979 50 10 JHGE CN1CCC[C@@H](CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C1 2214887231 UBRQWTUPNYIVHJ-QAPCUYQASA-N 452.377 3.550 50 10 JHGE Cc1ccc(C(=O)N(CCOCCBr)C(C)C)cc1I 2232827378 NTDFMCYRHRQEOW-UHFFFAOYSA-N 454.146 3.862 50 10 JHGE CC1(C)OCCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CCl 2282810519 RKOLACQAIHPYSG-GFCCVEGCSA-N 472.548 3.912 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350710 CKVOHAKJWRVKFB-UHFFFAOYSA-N 487.541 3.901 50 10 JHGE CC[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@H](C)NC(=O)OC(C)(C)C 2306409621 YDHUOHGTQQXNEI-XOBRGWDASA-N 481.681 3.629 50 10 JHGE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325592123 WHUMRMXXIDGGAR-QVKFZJNVSA-N 495.708 3.875 50 10 JHGE C[C@H]1CCCN(C(=O)c2c(Br)c(Br)nn2C)[C@H]1CBr 2338672501 GARHIXBXMFHIKW-YUMQZZPRSA-N 457.992 3.581 50 10 JHGE Cc1cnc(C(=O)NCC(F)(F)C(F)(F)CI)c(Br)c1 2361687324 PZWHEBSSSRNRPF-UHFFFAOYSA-N 469.014 3.588 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)c1ccccc1 2364026981 OGBJQUOKFLZNRA-SECBINFHSA-N 465.971 3.811 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)c(C)c1 10333858 GMWKIPBGOQQVHP-UHFFFAOYSA-N 477.586 3.639 50 10 JHGE CN(C)c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1 12583616 RRRHLGZWVIWXBY-KEBDBYFISA-N 455.150 3.807 50 10 JHGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cc(Br)c[nH]1 28717831 SXRMGYQXZDNPNW-HNNXBMFYSA-N 490.185 3.690 50 10 JHGE O=C(NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40648735 GHRXTEOQWQXAJI-UHFFFAOYSA-N 463.332 3.812 50 10 JHGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1N 40702495 OXENXMALZQMXAJ-UHFFFAOYSA-N 463.723 3.984 50 10 JHGE COc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 59249198 GMCFRJOFVINQRS-BRJLIKDPSA-N 481.530 3.742 50 10 JHGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1Br 387950625 WACRERGEEAYGKY-CPCISQLKSA-N 472.946 3.909 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084114521 FYVZZJJDFRWIGY-UHFFFAOYSA-N 486.937 3.902 50 10 JHGE C=CC[C@@H](C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccccc1 1587900204 ZARYAFRCDXLFLV-HSZRJFAPSA-N 452.518 3.509 50 10 JHGE C#Cc1ccc(NC(=O)NNC(=O)c2nn(CCCCC)c(=O)c3ccccc23)c(Cl)c1 1673382143 WIZLASHTIGBSPN-UHFFFAOYSA-N 451.914 3.688 50 10 JHGE CCOC(=O)c1cc(CBr)c(I)c(OC(F)(F)F)n1 1848387575 FNRVIXCAECBABK-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE CCOc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1OC 1860773379 VVCPNVWGNNHTJS-RPPGKUMJSA-N 462.531 3.683 50 10 JHGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)c1O 1865695588 DZTPWRQXXWDWSU-IBGZPJMESA-N 467.323 3.935 50 10 JHGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1C[C@@H]1Br 1877422031 ZAYUWVPDRCRWAR-LEUOFYLZSA-N 455.393 3.727 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)C1)c1cc(I)ccc1Br 2020168567 HOUHVMWSYOGOAC-OCAPTIKFSA-N 472.946 3.957 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H](Br)[C@H]2COC[C@H]21 2040594152 WDHRFKIZGXMKDL-MHSYXAOVSA-N 459.985 3.507 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCBr)s1 2123241130 FJLWBVFHYFLNCV-UHFFFAOYSA-N 462.431 3.539 50 10 JHGE CCN1CC[C@@H]([C@@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2142284683 GMHJRBXHJGIKNC-RYUDHWBXSA-N 478.577 3.758 50 10 JHGE COC(=O)C[C@H](NC(=O)OC(C)(C)C)c1csc(N(C)CC2CC(Br)C2)n1 2198614417 AAYQTGRAKSUXNF-BPCQOVAHSA-N 462.410 3.882 50 10 JHGE O=C(c1cc(I)sn1)N1CCC(CBr)(C(F)F)CC1 2274214014 SADJSWCZZPPKJN-UHFFFAOYSA-N 465.101 3.630 50 10 JHGE CCOC(=O)COc1ccc(Br)cc1C=C(C#N)C(=O)N1CCN(c2ccccc2)CC1 2313568857 ZOHCTBXSZAZELH-UHFFFAOYSA-N 498.377 3.647 50 10 JHGE CC(C)[C@H](Br)C(C)(C)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2340301821 BPWDRVWELSUAHJ-SFHVURJKSA-N 487.460 3.818 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1C[C@@H]2CCO[C@]2(CBr)C1 2365590223 DQEABSGPLJIKDP-LKFCYVNXSA-N 470.532 3.571 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](C2CCC(Br)CC2)C1 2381277527 AUOGGXJBOIVDGD-ADKAHSJRSA-N 497.455 3.668 50 10 JHGE O=C(NNC(=O)c1ccccc1I)c1cccc(OCCc2ccccc2)c1 10330783 BCCAKHQOXMAPCF-UHFFFAOYSA-N 486.309 3.988 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)OCCCc1ccccc1 13998656 NPZKQXKKCWZYLN-HNNXBMFYSA-N 467.349 3.864 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2)cc1Br 14041449 JYSYLHUUXVIKGL-UHFFFAOYSA-N 450.358 3.577 50 10 JHGE COc1ccc(OC)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1Br 20247741 VKRRIAUGLUEREV-MFKUBSTISA-N 469.335 3.853 50 10 JHGE CC(C)(CCl)C(=O)N1CCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 35925991 JQWRZSQEUDTJPU-UHFFFAOYSA-N 483.016 3.623 50 10 JHGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 48572356 GJMMZKMKPCGXKQ-STBIYBPSSA-N 467.529 3.818 50 10 JHGE N#CCOc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 58889318 ZIRLTJZFSZTZEF-NSTHGIQOSA-N 450.720 3.969 50 10 JHGE N#C[C@H](C(=O)N[C@@H](N)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97983087 IWPMAYXJQROQAI-IFMALSPDSA-O 491.766 3.644 50 10 JHGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)C(=O)N[C@H]1CCS(=O)(=O)C1 102858610 WWLHVOYEBQZQKR-NLZIUFDSSA-N 482.565 3.903 50 10 JHGE COc1ccc(CC(=O)N/N=C\c2cc(Br)cc(Br)c2OC)cc1 169901117 MVGGKOAGMPWFEI-JMIUGGIZSA-N 456.134 3.922 50 10 JHGE Cn1cc([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)nc1Br 829353226 ATZANHIVAWZJPC-LBPRGKRZSA-N 463.955 3.924 50 10 JHGE Cc1oc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1Br 1083998013 WMKSKKPTSFNDBB-UHFFFAOYSA-N 476.352 3.940 50 10 JHGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1084144012 ICQJTFYMSYJKTB-ZYDFHOGHSA-N 456.458 3.554 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)ccc1O 1084542493 PUWFLJPJMGXUPI-UHFFFAOYSA-N 472.133 3.845 50 10 JHGE NS(=O)(=O)c1ccc(-n2nc(-c3cccc(I)c3)cc2CCl)cc1 1614821144 SUXXOVUEFIGQMC-UHFFFAOYSA-N 473.723 3.530 50 10 JHGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4cccc(Cl)c4)c(C)c32)cc1 1772746671 YGBWCBDRTNFHQL-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@@H]4[C@@]3(F)[C@@H](O)C[C@@]21C 1848440874 ZAXNWSJYMYPNET-DNTHZYJOSA-N 470.940 3.661 50 10 JHGE C[C@@H](Br)[C@@H](NC(=O)c1cc(I)ccc1F)C(F)(F)F 1882675964 WGVFAUXHUJTOLA-MLUIRONXSA-N 453.999 3.874 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@H](Br)C(F)(F)F 1955956713 SAJQJCNUBIGDQQ-LBPRGKRZSA-N 478.350 3.664 50 10 JHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1993396012 FGILFBWMZPAIGW-HJWJTTGWSA-N 451.370 3.503 50 10 JHGE Cn1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)n1 2008835643 HWZTUHONVFLKSI-OAHLLOKOSA-N 477.222 3.547 50 10 JHGE O=C(c1cc(I)sn1)N1CC2(CCC2)CC[C@H]1CBr 2120024619 CVQJZSYBNYCQQS-VIFPVBQESA-N 455.159 3.918 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@H](Br)C(F)(F)CC1 2150018218 HJWXWMRDMXYNRE-NSHDSACASA-N 460.056 3.632 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@H](Br)CCC12CCC2 2174540477 OMLLGJPUDZUGSA-LLVKDONJSA-N 450.114 3.919 50 10 JHGE O=S(=O)(c1occc1CBr)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179830470 LQZWGZICBAKOKA-RBUKOAKNSA-N 453.402 3.850 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)CC1(C)C 2193325058 NNDPKJBJGNLBSE-HNNXBMFYSA-N 461.422 3.895 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@H](OCCCCl)C1 2207266350 DGCMVQGIJBTGRK-NSHDSACASA-N 472.548 3.914 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 2325902661 BGZMWPCKRCTLFI-MRXNPFEDSA-N 451.596 3.894 50 10 JHGE CN([C@@H](CBr)C(C)(C)C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338845666 SOSKFMATFGQNOZ-SFHVURJKSA-N 487.460 3.914 50 10 JHGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623323 QPCOXIXXMGCAAB-UZKOGDIHSA-N 451.567 3.554 50 10 JHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1 33691602 SRMRXVAWEUHCRV-FXBPSFAMSA-N 475.980 3.938 50 10 JHGE CC(C)(CCl)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)CC1 34787016 KFQYBHMHDHXJKQ-QFIPXVFZSA-N 460.043 3.631 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1cccnc1 40659019 WTMBUYBPRSRWCK-UHFFFAOYSA-N 453.768 3.953 50 10 JHGE C[C@H](Cl)c1nc(N)nc(Nc2cc(Br)ccc2I)n1 311854006 WICOSWQUGQVBGR-YFKPBYRVSA-N 454.497 3.864 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CCOC[C@@H]1CCBr 702193616 IBARLQLGCTUVIY-LBPRGKRZSA-N 455.972 3.838 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c1 727501101 HHVBQFCERUOQMJ-FOCLMDBBSA-N 476.583 3.712 50 10 JHGE CCCCNC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)c(OCC)c1 1083853522 CWKXRYNUZRBAMG-UHFFFAOYSA-N 476.371 3.793 50 10 JHGE C=CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OC 1084307140 DKHUGBALZAOODK-SFHVURJKSA-N 494.329 3.829 50 10 JHGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(Cc4cccc([N+](=O)[O-])c4)c4ccccc43)c2cc1C 1084485143 BUBPFAKMVCNCKP-UHFFFAOYSA-N 482.500 3.629 50 10 JHGE C[C@@H]1CCc2c(sc3nc(CCC(=O)NNC(=O)c4ccc(Br)cc4)nc(O)c23)C1 1115818805 ANMVVFPDKZMCBU-LLVKDONJSA-N 489.395 3.678 50 10 JHGE CCOC(=O)Cc1nc(OC(F)(F)F)c(I)cc1CBr 1848387731 QWEKWYNSMZNOQC-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H]2CCCCO2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867247193 AHLXBKGJUYKENN-GGAORHGYSA-N 481.574 3.810 50 10 JHGE COC[C@@](C)(CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 1926955657 UKNPZVXKHXGCLS-LBPRGKRZSA-N 494.043 3.538 50 10 JHGE C#CCN(CCBr)C(=O)c1cc(Br)ccc1I 1948630455 UBYRNADTZZNLIZ-UHFFFAOYSA-N 470.930 3.524 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(N)ccc1Br 2061261747 DGCODBCBAXXMQJ-UHFFFAOYSA-N 450.424 3.667 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CCBr)CC1 2093312613 XHPTUOAXGJELSX-MRXNPFEDSA-N 485.444 3.526 50 10 JHGE CN(CCBr)CCN(C)C(=O)c1c(Br)cccc1Br 2094096201 VNFHCXQVLBWPPJ-UHFFFAOYSA-N 457.004 3.610 50 10 JHGE O=C(c1cc(I)ccc1F)N1CCSC[C@H]1CCBr 2113348638 KRBWJLKEFXRHJZ-SNVBAGLBSA-N 458.134 3.773 50 10 JHGE O=S(=O)(c1cc(CBr)cs1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2123236314 GTCJLJRLRUJESD-MSOLQXFVSA-N 455.443 3.786 50 10 JHGE CN1CCN(Cc2ccc(I)c(Cl)c2)[C@H](CCBr)C1 2142952288 GUEJYBUDQUMHCN-GFCCVEGCSA-N 457.581 3.846 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC2(CCC2)C[C@H]1CBr 2151514870 BHPWQYYREUUPHR-NSHDSACASA-N 450.114 3.777 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CCCBr)cc2)CCN1Cc1ccccc1 2179859061 XTCKQFAQPGGXLS-SFHVURJKSA-N 451.430 3.909 50 10 JHGE BrC[C@H]1CN(Cc2ccc(I)c(Br)c2)CCO1 2306219905 RECKHWUWWACOKN-JTQLQIEISA-N 474.962 3.649 50 10 JHGE CC(C)N(CCOCCI)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 2306804007 DBZBYEMGZRUQJO-INIZCTEOSA-N 454.393 3.938 50 10 JHGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)c(Cl)cc1C 2317672005 SDYQHOHYSTYWPI-QHCPKHFHSA-N 492.768 3.584 50 10 JHGE NNC(=O)[C@H](Sc1cc(I)ccc1Br)c1ccccc1 2363644185 RYAZKLPTEPUTRM-CYBMUJFWSA-N 463.138 3.877 50 10 JHGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1ccc(Cl)cc1I 2365587487 XZXHGBHSNSUXRE-MWLCHTKSSA-N 472.548 3.865 50 10 JHGE CC1(C)CN(C(=O)c2ccc(Cl)cc2I)C[C@@H](CBr)O1 2365588487 JYKITJVTDKGEHL-SNVBAGLBSA-N 472.548 3.959 50 10 JHGE COC[C@]1(CCl)C=CCN1C(=O)c1ccc(I)c(Br)c1 2379846565 PPWVVBBMLBGSMJ-CQSZACIVSA-N 470.532 3.690 50 10 JHGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 12490068 BEMIEUSMJICJEI-UHFFFAOYSA-N 482.762 3.664 50 10 JHGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc([N+](=O)[O-])s1 12583701 IWKVRMBLMWIDAS-OMCISZLKSA-N 463.107 3.710 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2C)cc1Br 14041433 NDNAMTLEEATHRG-UHFFFAOYSA-N 464.385 3.886 50 10 JHGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041862 RYAIAPGTMSTGHO-UHFFFAOYSA-N 477.586 3.639 50 10 JHGE CCn1nc(C(=O)NNC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2c1=O 15939629 JNZDTFRCWURNAK-CSKARUKUSA-N 464.831 3.563 50 10 JHGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1N1CCN(c2cccc(Cl)c2)CC1 40728299 LPWNDXOKOIBFAV-UHFFFAOYSA-N 473.968 3.949 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812996 PJFNLANIIVEEDM-YZSQISJMSA-N 476.445 3.948 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N(C)[C@@H](C)CBr)cc1Br 123682454 DFCGGIUTQFDFDY-QMMMGPOBSA-N 464.017 3.924 50 10 JHGE O=S(=O)(NCCCCCI)c1ccc(Br)cc1Cl 229236284 SIRRJTRFBGURAU-UHFFFAOYSA-N 466.566 3.986 50 10 JHGE Nc1ccc([N+](=O)[O-])cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 725379676 XIVUPEMMZNOLTG-PBHICJAKSA-N 481.290 3.964 50 10 JHGE C[C@H]1CN(C(=O)NNC(=O)c2ccc(Br)cc2Cl)C[C@@H](c2ccccc2)O1 728956589 XLSCXHAHLMAPPO-SJCJKPOMSA-N 452.736 3.919 50 10 JHGE C=CC(=O)NCc1ccc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1463681755 QDTAFMZMKDPBMP-UHFFFAOYSA-N 456.877 3.792 50 10 JHGE CC(=O)c1cc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(C)nc1C 1539344993 AOCRXDLNDGXBQP-UHFFFAOYSA-N 453.502 3.829 50 10 JHGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 1632257540 MVXSHJZMARHXGT-UHFFFAOYSA-N 457.552 3.706 50 10 JHGE COc1ccc2c(c1)c(/C=N/NC(=O)[C@@H](C)n1cnc3sc4c(c3c1=O)CC[C@H](C)C4)cn2C 1860774436 WWICOHUYYSLPQC-BNKIVYOKSA-N 477.590 3.794 50 10 JHGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1 1866667133 KTFGKSMLJCHUKD-LJQANCHMSA-N 470.938 3.535 50 10 JHGE CC(C)(C)OC(=O)NCCN1CCC([C@H](CBr)NC(=O)OC(C)(C)C)CC1 1882089457 ZQWAVQOLRFXKAQ-HNNXBMFYSA-N 450.418 3.511 50 10 JHGE ClCc1c(-n2cnc(I)c2I)ccnc1Cl 1903397601 MHTPCWDQGYQLOG-UHFFFAOYSA-N 479.874 3.869 50 10 JHGE CC1(CBr)CN(C(=O)c2ccc(I)c(Br)c2)C1 1951055695 MZJYDBZWVAGBJV-UHFFFAOYSA-N 472.946 3.911 50 10 JHGE CC[C@@H](C)[C@H](CI)NC(=O)c1csc(I)c1 1993391527 WFOOZAVXYJHYNT-APPZFPTMSA-N 463.122 3.932 50 10 JHGE CCN1CC[C@H]([C@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2089530309 FYMHGLZTFJKEPF-VXGBXAGGSA-N 478.577 3.758 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)c2c(Br)cccc2Br)C1 2094092154 BWWOQVYDMMCIIN-CYBMUJFWSA-N 455.972 3.838 50 10 JHGE CC(C)n1ncc(NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1=O 2125302520 UHSBDDCVJCBJFE-UHFFFAOYSA-N 467.455 3.905 50 10 JHGE O=C1NCCCc2ccc([C@H](Br)c3cc(I)sn3)cc21 2176541314 YCOHQHKOKAYQIW-ZDUSSCGKSA-N 463.138 3.908 50 10 JHGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)ccn1 2179818905 FQJPFHXOKOKOQJ-IBGZPJMESA-N 452.418 3.509 50 10 JHGE Cc1cccc(C(=O)NC[C@@H]2CC[C@@H](CBr)CO2)c1I 2279408459 OUHCVUYRRQJKHF-RYUDHWBXSA-N 452.130 3.520 50 10 JHGE COCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)CC(C)(C)CI 2306818821 OAKSFGPNUWVTBL-HNNXBMFYSA-N 454.393 3.796 50 10 JHGE COc1ccc(C=C(C(=O)NNC(=O)c2sc(-c3cnccn3)nc2C)c2ccccc2)cc1 2321122227 YGYHACXMFIEVJW-UHFFFAOYSA-N 471.542 3.919 50 10 JHGE C[C@H](Br)C[C@@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338849967 NTCOGZPAYGRDAO-IRXDYDNUSA-N 485.444 3.811 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12570168 IAQBCZIWGZYNMF-QMMMGPOBSA-N 491.740 3.658 50 10 JHGE Cc1ccccc1CC(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14563284 WPUOCCLDASRLPF-UHFFFAOYSA-N 454.379 3.725 50 10 JHGE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@H](C)C(=O)NNC(=O)C(C)C 59877801 UKNSMRNYOBPWID-MRXNPFEDSA-N 452.584 3.513 50 10 JHGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 100154419 NVKRHQSRLQBNBF-UHFFFAOYSA-N 458.540 3.893 50 10 JHGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccccc1N1CCOCC1 217254115 SVEUBAGSTDOQRJ-PEZBUJJGSA-N 488.329 3.894 50 10 JHGE COC[C@](C)(CBr)N(C)S(=O)(=O)c1cc(Br)ccc1Br 689229369 IMTZEXFVQZZZDU-LBPRGKRZSA-N 494.043 3.632 50 10 JHGE CC(=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccccc1 1083989115 HRUZBZFHBWUFDY-UHFFFAOYSA-N 473.400 3.834 50 10 JHGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O 1084341129 RELSPIMTVPSRHT-UHFFFAOYSA-N 495.289 3.681 50 10 JHGE O=C(Cl)c1c(I)cc(OC(F)F)cc1I 2060167917 ANYSSRYKIDSYGA-UHFFFAOYSA-N 458.367 3.876 50 10 JHGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1CC2(CN(Cc3ccccc3)C2)C1 2123200455 IDIFLBXXEBCFED-UHFFFAOYSA-N 455.805 3.741 50 10 JHGE CN1CCN(C(=O)c2cc(Br)c(Br)s2)[C@H](CCBr)C1 2138083045 MPTMRNXBMVJBLF-MRVPVSSYSA-N 475.044 3.814 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C(C)(C)CN1C(=O)OC(C)(C)C 2163054591 YPKUVVICLJYIJV-AWEZNQCLSA-N 461.422 3.990 50 10 JHGE CO[C@@H]1[C@H](OC)CN(Cc2ccc(I)c(Cl)c2)[C@H]1CBr 2233352718 FHZMZGXSEFKRBI-MJBXVCDLSA-N 474.564 3.554 50 10 JHGE CCN(C=C(C#N)C(=O)Nc1ccc(I)cc1C)CCc1ccncc1 2318462614 MAPQYEHKJFUKMQ-UHFFFAOYSA-N 460.319 3.905 50 10 JHGE COCCn1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c2cc(OC)ccc21 2328796529 RLGWDTFLVZYNFH-FQEVSTJZSA-N 460.575 3.686 50 10 JHGE CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)CCl)scc12 9277666 YVRBNNGLPWTFQR-UHFFFAOYSA-N 459.833 3.820 50 10 JHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C 14662606 OUPDTLOYFBFTNP-UHFFFAOYSA-N 479.371 3.746 50 10 JHGE Cn1cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c2ccccc21 15092761 AGEDTIGRZDDJQJ-UHFFFAOYSA-N 488.978 3.769 50 10 JHGE COc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)cc(Br)c1OC 34982535 RZGAXGMPDJYFEJ-UWVJOHFNSA-N 458.106 3.698 50 10 JHGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)CC1 40812897 HFKOGMHRUYXRRV-XIEYBQDHSA-N 487.398 3.599 50 10 JHGE O=C(NNC(=O)c1cccc(I)c1)c1ccc(OCc2ccccc2)cc1 100449633 QJXNCYUSDGPOSA-UHFFFAOYSA-N 472.282 3.945 50 10 JHGE CN1C(=O)/C(=N\NC(=O)CSCc2ccccc2Cl)c2cc(Br)ccc21 104989674 GIGHNHIPDIBRLJ-XLNRJJMWSA-N 452.761 3.833 50 10 JHGE O=C(CSCC(=O)Nc1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCCC1 252621349 MWHIESLIAIBUMZ-UHFFFAOYSA-N 469.567 3.797 50 10 JHGE COc1ccc(C=NNC(=O)CNc2ccc(Br)cc2Br)cc1OC 254699314 DALARSRDQKPDPM-UHFFFAOYSA-N 471.149 3.791 50 10 JHGE O=C(CCOc1ccccc1)NNC(=O)c1cc(I)cc(C(F)(F)F)c1 728022812 FXCQLMQWLZGSMC-UHFFFAOYSA-N 478.208 3.540 50 10 JHGE COc1c(Br)cc(C=NNC(=O)COc2ccccc2C)c(O)c1Br 1082990408 QZEHDXHSDNBFIR-UHFFFAOYSA-N 472.133 3.763 50 10 JHGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(I)cc2)cc1 1083997469 KEPZHCNSTVRXBY-UHFFFAOYSA-N 452.292 3.999 50 10 JHGE CC(=O)N1CCC(N(Cc2cncs2)S(=O)(=O)c2ccc(CCCCl)cc2)CC1 1190637527 KAQCWNWNPYSCRA-UHFFFAOYSA-N 456.033 3.516 50 10 JHGE CC[C@](C)(NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866627443 NDYAULKVNGPQLD-QHCPKHFHSA-N 486.619 3.727 50 10 JHGE CC1(C[S@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)CN(C(=O)OC(C)(C)C)C1 1877873379 VBZFYTFYULODFD-PTFIGZPYSA-N 451.427 3.822 50 10 JHGE CC(C)(CCl)N(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915762311 HWSLIBVGCTTXFD-UHFFFAOYSA-N 462.999 3.912 50 10 JHGE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 1984649662 PGCKHRQDUJNWAL-UHFFFAOYSA-N 467.179 3.774 50 10 JHGE Cc1sc(C)c(S(=O)(=O)NC(C)(CBr)CBr)c1Br 2027395496 NVKQJKBBRNFQRW-UHFFFAOYSA-N 484.073 3.954 50 10 JHGE O=[N+]([O-])c1c(CBr)ccc(I)c1I 2060230027 HIEYAOHFLQQLPU-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2cc(Cl)ccc2I)C1 2121337304 MDEJAUWKSBLVGY-NWJBQHJCSA-N 476.476 3.813 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179835196 QMWILVIPFFNFHZ-FQEVSTJZSA-N 453.402 3.851 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2[C@H](Cl)CCC[C@H]2C1 2233836945 NVQBGXCYWDWREX-ABSDTBQOSA-N 453.004 3.512 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2[C@@H](Cl)CCC[C@H]2C1 2233836948 NVQBGXCYWDWREX-ZWOKBUDYSA-N 453.004 3.512 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1[C@H]2COC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2257993956 IWUNFYBUNFFFBY-KNCDZKKRSA-N 491.720 3.800 50 10 JHGE O=S1(=O)C[C@H]2C([C@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]2C1 2277950204 URARNOCTGYIROH-IJLUTSLNSA-N 473.024 3.808 50 10 JHGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297551811 FYEQYAULRXLKCA-UHFFFAOYSA-N 481.917 3.752 50 10 JHGE O=C(Oc1ccc(Br)cc1C=NNC(=O)[C@H]1COc2ccccc2O1)c1ccco1 2297710521 PSUDOORUPODVNK-LJQANCHMSA-N 471.263 3.551 50 10 JHGE COC1(C(F)F)CC(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)C1 2302116336 TWZUIHNLMRQFGE-AJQRCPHMSA-N 463.303 3.782 50 10 JHGE Clc1ccc(CN2C[C@H]3COC[C@]3(CBr)C2)cc1I 2337217768 ATAOKVMHBZEQBQ-FZMZJTMJSA-N 456.549 3.788 50 10 JHGE C=CC[C@@H](Br)[C@H]1CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338845977 VWMPPQKZZJSJOR-RTBURBONSA-N 483.428 3.587 50 10 JHGE O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)sc1Cl 2343413954 YYUKSEFGBJLBOF-LBPRGKRZSA-N 483.793 3.958 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1Cc1cc(I)ccc1Cl 2352428870 ZZRHRNFJXLUBLW-WCQYABFASA-N 457.581 3.844 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Cl)CC12CCCC2 2364205927 OLLLGUOAEAFYRZ-QGZVFWFLSA-N 453.004 3.799 50 10 JHGE CCC[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CCl 2364208851 MOZIUEZXHDJALH-QZTJIDSGSA-N 455.020 3.760 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC2(CC1)C[C@H]2CBr 2364212499 XXZNQDHWNPFJTQ-KRWDZBQOSA-N 497.455 3.670 50 10 JHGE COc1cc(Br)cc(/C=N/NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c1O 1208292 GUKGINCHXKLFPB-LGWXCPLXSA-N 457.280 3.607 50 10 JHGE CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 28063617 JUQYODWCPWLHDX-DNVCBOLYSA-N 450.564 3.724 50 10 JHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)cc1 40812035 QKEOZJNFZGXTQP-LGUFXXKBSA-N 462.458 3.770 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 252597557 CSQBAKWKADTEFG-MRXNPFEDSA-N 465.539 3.615 50 10 JHGE CC(CC(=O)Nc1cccc(C(F)(F)F)c1)=NNC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254405855 YGIAPKLIPAVGDN-UHFFFAOYSA-N 467.360 3.585 50 10 JHGE O=C(NN=C(CC(=O)C(F)(F)F)c1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 254616454 PWEMWCZLHHNJKV-UHFFFAOYSA-N 481.496 3.517 50 10 JHGE COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1C 727332200 CNVKKFDLDBXRHT-VYVDHXHBSA-N 452.555 3.542 50 10 JHGE CCOc1cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)ccc1OCc1ccccc1 1084402852 XTGVLRXBFSUXFK-UHFFFAOYSA-N 488.544 3.915 50 10 JHGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1OC 1872745182 DFTYRWFSHIFCSE-VLGSPTGOSA-N 492.469 3.824 50 10 JHGE COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc(Br)c1O 1873795280 VYKXIFQESLBZIP-MNUWJXFPSA-N 458.353 3.553 50 10 JHGE O=C(N[C@H](CBr)c1cscn1)c1cccc(F)c1I 2119045515 OJWVYMRKCMZFJA-SECBINFHSA-N 455.090 3.753 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178082230 JZJUSRLNAJMUTL-WQAKAFBOSA-N 467.983 3.694 50 10 JHGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179825816 LPFWVCBPZXYTCM-WOJBJXKFSA-N 455.462 3.868 50 10 JHGE O=C(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1ccc(I)cc1 2192584062 WNWXUDWGRLWLST-PWSUYJOCSA-N 462.047 3.985 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2240732950 LRLFJEASYKZJKH-GJYPPUQNSA-N 497.455 3.667 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2255833492 DRIDQWTWGWEHIK-UHFFFAOYSA-N 488.506 3.683 50 10 JHGE O=C(NC[C@@H]1CC[C@@H](CCl)CO1)c1cc(Br)ccc1I 2279395903 LBVULIGJMKJYCV-ONGXEEELSA-N 472.548 3.818 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2283653276 DWXROIAYGUKFTF-XDTLVQLUSA-N 470.532 3.712 50 10 JHGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccccc2I)c(OC)c1 2293198056 ACCVXFYOAJLYEJ-UHFFFAOYSA-N 488.281 3.728 50 10 JHGE Clc1ccc(CN2CCN3C[C@H](Br)C[C@@H]3C2)cc1I 2337223575 OGZWJOYDXWVWQF-VXGBXAGGSA-N 455.565 3.598 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CCC[C@H](Br)C1 2338836772 NGXVFJTXIMJNAL-IRXDYDNUSA-N 485.444 3.716 50 10 JHGE CC1(C)C[C@](C)(CCl)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364191863 XUEJERNRUSMMBE-JOCHJYFZSA-N 455.020 3.902 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12500719 DRJITJPQUIGGTD-UHFFFAOYSA-N 484.375 3.831 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2cccc3ccccc23)cc1 13979081 ZEHIBPPISLTXIQ-UHFFFAOYSA-N 478.574 3.539 50 10 JHGE CCc1ccc(O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 14039903 RIUZGDCNVIDDHN-CYBMUJFWSA-N 452.338 3.889 50 10 JHGE COc1cc(OC)c(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1Cl 40784992 OMFHRZBBEGMNPB-UHFFFAOYSA-N 493.749 3.992 50 10 JHGE CCc1ccc(OCCCC(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c(Br)c1 40959322 CDMWQJYKSVCZNW-WSDLNYQXSA-N 480.315 3.943 50 10 JHGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 101335203 BYTICEACLCXJDD-HYARGMPZSA-N 498.539 3.795 50 10 JHGE O=S(=O)(NCCCCI)c1ccc(Cl)c(Br)c1 236056309 OFXWIPOPKAOGLR-UHFFFAOYSA-N 452.539 3.596 50 10 JHGE CCOC(=O)Cc1csc(=NC(=O)/C(C#N)=C\c2ccccc2)n1C(=O)/C(C#N)=C/c1ccccc1 254759446 MZMZULLIFGTMEV-NSHIWVNUSA-N 496.548 3.937 50 10 JHGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1O 256028277 CGGPHCQMUHONLT-UHFFFAOYSA-N 479.381 3.924 50 10 JHGE O=C(N[C@H](CCI)C(=O)O)OCC1c2ccccc2-c2ccccc21 307197825 WUMHLUDKFHNQNJ-QGZVFWFLSA-N 451.260 3.803 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)cc1OC 727704957 DKSKSCLJSMXIQE-UHFFFAOYSA-N 476.464 3.998 50 10 JHGE COc1ccccc1NCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727848996 RVEZEIGTGJRXSA-UHFFFAOYSA-N 475.480 3.788 50 10 JHGE COC(=O)c1ccc(COc2ccc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2OC)o1 1084466059 PHIKXVYSUPFUCV-UHFFFAOYSA-N 487.852 3.979 50 10 JHGE CN1C(=O)C(=NNC(=O)CSCc2ccccc2Cl)c2cc(Br)ccc21 1084572197 GIGHNHIPDIBRLJ-UHFFFAOYSA-N 452.761 3.833 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNc2ccc(OCc3ccccc3)cc2)cc1F 1167543577 GKNRNUNYNUTBEN-UHFFFAOYSA-N 456.495 3.524 50 10 JHGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNc2cc(F)ccc2Br)cc1 1465259602 ZEAWTANUQZYBIC-UHFFFAOYSA-N 457.325 3.543 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(OC(F)F)c3ncccc23)cc1 1476026883 ZFGPTPKQOABIBJ-ZDUSSCGKSA-N 458.421 3.659 50 10 JHGE C=CCC[C@H](NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 1653042374 VRGJWKSXVSXFSE-SFHVURJKSA-N 450.417 3.672 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Oc3cccc(F)c3)nc2)cc1 1673271386 TZJMEVIGDJXALN-HNNXBMFYSA-N 452.442 3.836 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc(C(F)(F)F)cc4)c(=O)c23)C1 1860771332 QTWOZVMAASQUIG-RYUDHWBXSA-N 478.496 3.624 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)Cc3ccc(Br)cc3)c(C)n2)cc1OC 1865759313 UCDVTEZXDGROTL-UHFFFAOYSA-N 484.350 3.840 50 10 JHGE CN(C)[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867275005 MNKAJQMMCXICPL-PKTZIBPZSA-N 477.565 3.763 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC1CCCCC1 1926745284 DFOAQLJVYKMNKV-KRWDZBQOSA-N 499.471 3.962 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CC[C@@](C)(CI)O2)C[C@@]12CCCOC2 1950594213 SRRXEHITNQLEPL-KSZLIROESA-N 451.345 3.919 50 10 JHGE O=C(NC[C@H]1C[C@@H]1CBr)c1cc(Br)ccc1I 2005982235 OJXNLDRUXZWMRO-HTQZYQBOSA-N 472.946 3.815 50 10 JHGE Cc1c(I)cc(C(=O)CBr)cc1I 2060159263 LFWCAUPZZVQREC-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[C@@H]1Br 2076191408 NRQKOAUCXMAJOA-AEGPPILISA-N 476.209 3.785 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC[C@@H]1CCBr 2090572757 PMENHFNPSXVCBU-QAPCUYQASA-N 485.444 3.572 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H]2COC[C@@H](C1)C2Br 2111479833 PFRBQBIXOVKHBB-AVSFMBPQSA-N 474.012 3.755 50 10 JHGE C[P@]1(=O)C[C@@H](Cl)[C@H](NC(=O)c2cc(I)ccc2Br)C1 2121337890 PJOJRXBSTMIAAM-BFKGZMGPSA-N 476.476 3.766 50 10 JHGE O=C(N[C@H]1CC12CC(NS(=O)(=O)c1ccc(CBr)cc1)C2)OCc1ccccc1 2142151620 CZXYAASPTWGMJV-BIXGBWIQSA-N 479.396 3.707 50 10 JHGE O=C(N[C@H]1C(F)(F)C12CC(NC(=O)N1CCC(Br)CC1)C2)OCc1ccccc1 2142153760 VNUAKBHBVNUVMV-KOHRHEQBSA-N 472.330 3.648 50 10 JHGE Cc1cccc([C@@H](Br)CS(=O)(=O)N2CCCCC2)c1I 2145635070 DXVBWHUYTQTTPS-ZDUSSCGKSA-N 472.186 3.851 50 10 JHGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(C)c1 2179815474 LZMXTFXTVSYLGH-SFHVURJKSA-N 454.434 3.595 50 10 JHGE Cc1cc(S(=O)(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc(CBr)c1F 2179861599 JXISBCXFHGHKHX-MSOLQXFVSA-N 453.377 3.676 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)c1c(N)cc(Br)cc1Br 2196929173 BWFWCEMIKXCZMF-OCAPTIKFSA-N 491.043 3.588 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@]2(C[C@H](Cl)CO2)C1 2201776584 CLOJGDJMKCLFOT-IINYFYTJSA-N 470.532 3.666 50 10 JHGE C[C@H](NC(=O)c1c(F)cccc1I)c1nnc(CBr)s1 2282800932 HGTBCLCGANBVKM-LURJTMIESA-N 470.105 3.668 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)C(=Cc2ccccc2)CCO)cc1 2297511138 DNLVEBPHUQACMY-UHFFFAOYSA-N 464.543 3.679 50 10 JHGE COC[C@H](Br)CN(C)Cc1ccc(I)c(Br)c1 2306219478 MSKDPLHKRRAEPG-SNVBAGLBSA-N 476.978 3.895 50 10 JHGE CC1=C(C#N)c2[nH]c(=N)c(C#N)c(C)c2C1=Cc1cc(Br)c(N2CCOCC2)o1 2313543578 OLHCUANLNRMYCI-UHFFFAOYSA-N 452.312 3.718 50 10 JHGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(OCC)cc1 2314594037 XZYWCIGFNVWUNA-OAQYLSRUSA-N 451.523 3.953 50 10 JHGE CC(C)(CI)CN1C[C@H](CNC(=O)OC(C)(C)C)CC12CCOCC2 2326664223 FANOOYCRTYJUJT-HNNXBMFYSA-N 466.404 3.843 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H](Br)CC(C)(C)C 2338691672 VEXCUQOVWNNFQT-ZETCQYMHSA-N 460.008 3.875 50 10 JHGE Clc1ccc(CN2C[C@@H]3CCO[C@]3(CBr)C2)c(I)c1 2341033077 SBZYCYOTWVMXGJ-SMDDNHRTSA-N 456.549 3.930 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 13982214 LQKYLBKLAHTCBL-UHFFFAOYSA-N 482.334 3.850 50 10 JHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2)cc1Br 14646006 WHKKOGITEKCMOI-UHFFFAOYSA-N 464.385 3.823 50 10 JHGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)NCc1ccccc1 14768582 WUWWYDLYUBKYBY-XMMPIXPASA-N 459.546 3.755 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)c(Br)c1 14832260 AVWGEPCHZCGFQQ-MRXNPFEDSA-N 490.398 3.585 50 10 JHGE Cc1cc(I)ccc1N[C@H](C)C(=O)N/N=C/c1cc(Cl)ccc1O 20352584 SPKMGGCFYXNGJZ-GXBAXFRPSA-N 457.699 3.909 50 10 JHGE O=S(=O)(N[C@H]1CCC[C@H]1Br)c1cc(Br)ccc1Br 122373863 QXXOPAMCSCAWQV-SCZZXKLOSA-N 462.001 3.806 50 10 JHGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1 206825630 RGUMXQXUTYEFHL-MLRPBERTSA-N 455.580 3.713 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C)cc1 207217510 YLRDCIWMJBIDPE-PGMHBOJBSA-N 464.518 3.534 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(C)cc2Br)cc(Br)c1O 252631090 VHXMCOVJVVQBIY-UHFFFAOYSA-N 472.133 3.763 50 10 JHGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cccc4c3OCCO4)cc2)S(C)(=O)=O)cc1C 254287793 ASBITFCUTLUZGM-UHFFFAOYSA-N 493.585 3.805 50 10 JHGE CCOC(=O)c1c(NC(=O)C(=O)NN=C(C)c2ccc(-n3cccc3)cc2)sc2c1CCC2 254714875 LLEDPIHHSLKXAY-UHFFFAOYSA-N 464.547 3.683 50 10 JHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)c2C)cc1C 254770691 MYVUGEWENXVGJI-UHFFFAOYSA-N 470.570 3.766 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3nc4ccccc4s3)c3ccccc32)cc1 1084356934 FHAPFQIHPSUADB-UHFFFAOYSA-N 469.526 3.724 50 10 JHGE CC(=O)N1C[C@H](C(=O)NNc2ccc(Br)cc2C(F)(F)F)Oc2ccccc21 1143987014 HMDBLOIWYXEAET-MRXNPFEDSA-N 458.234 3.725 50 10 JHGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N(CC#N)CC#N)c(C)c43)coc2c1C 1772751653 IVVYAYMEMRZPDK-UHFFFAOYSA-N 471.517 3.840 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)cc2)cc1 1858664227 WHNHSTWIPNKMGS-UHFFFAOYSA-N 466.544 3.700 50 10 JHGE CN(C)[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867275003 MNKAJQMMCXICPL-DHIUTWEWSA-N 477.565 3.763 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)c1cc(CBr)oc1Br 1887885864 LPWDRMPWBSFNFC-ZKCHVHJHSA-N 480.016 3.731 50 10 JHGE CC(C)(C)OC(=O)NCCCN(CCOCCI)Cc1ccccc1 1893370583 UGWKQFOCLFBAMP-UHFFFAOYSA-N 462.372 3.855 50 10 JHGE Cn1ncc(C(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1I 1915310304 AUJBWPVCGNMDLW-OAHLLOKOSA-N 488.167 3.841 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCBr)C1CCCCC1 2089707119 KJZHLGVXNFXPMJ-UHFFFAOYSA-N 485.444 3.812 50 10 JHGE CN(C(=O)c1cccc(F)c1I)[C@H](CCBr)C(F)F 2122005636 RORJYIFQGVQFPV-SECBINFHSA-N 450.036 3.921 50 10 JHGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(CCBr)s1 2123238659 WYTRTXTWGGPCHF-UHFFFAOYSA-N 457.459 3.971 50 10 JHGE CCN1CCC[C@H]([C@H](Br)c2ccc(C)c(I)c2)S1(=O)=O 2232824688 BNVDQFOFUFJWRM-ZIAGYGMSSA-N 472.186 3.850 50 10 JHGE CC1([C@H](Br)Cc2cc(Br)cc(Br)c2)CS(=O)(=O)C1 2263518984 MDTKOSSKGTZBQS-LLVKDONJSA-N 461.013 3.952 50 10 JHGE COCCN(C[C@@H](C)Cl)C(=O)c1cc(I)ccc1Br 2272432891 CYVVHFNJVOQDGA-SECBINFHSA-N 460.537 3.770 50 10 JHGE COCCN(C[C@@H](C)Cl)C(=O)c1ccc(I)c(Br)c1 2272468732 ZRSWGFWROFUPAT-SECBINFHSA-N 460.537 3.770 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC(Br)CC2)C(F)(F)CC1 2284582286 DTOAJISHGXXZKA-AWEZNQCLSA-N 454.356 3.980 50 10 JHGE CCCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 2325890104 MSIGCMHIIJUQIL-UHFFFAOYSA-N 488.569 3.775 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2365597182 CZZYQRUWSVMRCG-XDTLVQLUSA-N 470.532 3.712 50 10 JHGE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 2365623246 VPWRSVOUMMYMAT-MRXNPFEDSA-N 461.422 3.992 50 10 JHGE BrCC1CCC2(CC1)CCN(Cc1ncc(I)cn1)C2 2381293816 SDZGCHRMQDLBOU-UHFFFAOYSA-N 450.162 3.858 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1cc2ccccc2cc1O 12569983 FAHLNTUAOZTSHM-NSHDSACASA-N 478.357 3.955 50 10 JHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1Br 14645988 CFYCSTAPROEIIA-UHFFFAOYSA-N 470.414 3.885 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Nc3cc(Cl)c(OC)cc3OC)c2[N+](=O)[O-])cc1 40658878 RDLGQPYFNZSBQG-UHFFFAOYSA-N 474.861 3.565 50 10 JHGE COc1cc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)ccc1O 59384975 RRNWYNPIBKENCM-DMYCNYMVSA-N 465.362 3.651 50 10 JHGE Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)cc2Cl)cc1 96203393 MENOIJZPAGLJCP-ZMUHTPIZSA-N 453.926 3.868 50 10 JHGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cccc(OC)c1 206959942 QAFSJDXDACNUNA-UNOMPAQXSA-N 476.485 3.895 50 10 JHGE C[C@H](CBr)CNC(=O)c1cc(I)ccc1Br 235399220 DTVQRDXOMKZGGO-SSDOTTSWSA-N 460.935 3.815 50 10 JHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)c2C)cc1 252630919 VFWZJJUYCNPYPZ-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cccc(C)n1 254848252 GPSHRZBCFCWCTD-UHFFFAOYSA-N 455.975 3.675 50 10 JHGE Cn1ncc([C@H](Br)c2cc3c(cc2Cl)OCCO3)c1I 379213413 ONZBRNUKKDAIRD-GFCCVEGCSA-N 469.504 3.934 50 10 JHGE CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 1140415652 GIUONLJPBPDHAZ-HXUWFJFHSA-N 455.440 3.579 50 10 JHGE CC(=O)c1ccc(CCNC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1685824019 CYDMXFCIBXZYQH-UHFFFAOYSA-N 452.338 3.928 50 10 JHGE C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)O)SC1=NNC(=O)Cc1ccccc1 1772718426 AEJCVTQQIDHXIQ-YJFMCDHMSA-N 485.949 3.536 50 10 JHGE COc1ccc(-c2nn(C)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689803 WXCJZOJLIXQZFS-QGZVFWFLSA-N 483.322 3.791 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1cc(Br)c(Br)s1 2006160722 VRTQJGIYVUPQAH-HLORNFRZSA-N 465.026 4.000 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@@H]2CBr)cc1Br 2039791985 MHKCYEIOVQLTLM-GMSGAONNSA-N 462.001 3.582 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2CCC[C@]2(CBr)C1 2159409834 SBCUODTXJYFEEX-NHYWBVRUSA-N 450.114 3.634 50 10 JHGE CN(C(=O)c1ccc(I)c(O)c1)[C@@H](CCBr)C(F)(F)F 2178515511 MMNMJEFTRAIEGS-JTQLQIEISA-N 466.035 3.785 50 10 JHGE C[C@@](CBr)(NC(=O)c1c(F)cccc1I)C(F)(F)F 2267676150 XJAYEOLFRBHDTF-JTQLQIEISA-N 453.999 3.876 50 10 JHGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])s2)cc1 2293972462 WYWLLDUVXLWAEE-UHFFFAOYSA-N 463.519 3.644 50 10 JHGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 2296723199 ZSYGZOBHKLQIMO-FQEVSTJZSA-N 458.518 3.614 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(OCC)cc2)cc1 2313892319 WJBDNZJHXYDQNH-UHFFFAOYSA-N 468.579 3.563 50 10 JHGE C[C@H](Br)CCCN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316815400 NKYAHFJCHATXNE-INIZCTEOSA-N 473.433 3.668 50 10 JHGE COc1ccc2[nH]cc(C=NNC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)c2c1 2325903370 GNPMLCDERHJCAZ-ZIAGYGMSSA-N 463.563 3.784 50 10 JHGE COc1ccc2c(c1)c(C=NNC(=O)[C@@H](C)n1cnc3sc4c(c3c1=O)CC[C@@H](C)C4)cn2C 2325903472 WWICOHUYYSLPQC-HUUCEWRRSA-N 477.590 3.794 50 10 JHGE NNC(=O)[C@@H]1CC[C@H](CSc2cc(I)ccc2Br)C1 2338341671 OZHIPISKKVFSLP-DTWKUNHWSA-N 455.159 3.552 50 10 JHGE CCC(CC)N(CCBr)C(=O)c1c(Br)c(Br)nn1C 2338689918 AIYXMCPUHQCEKL-UHFFFAOYSA-N 460.008 3.971 50 10 JHGE C[C@H](CCl)N1CCN(Cc2ccc(I)c(Br)c2)CC1 2349861522 XWNCHKBGBKWUDV-LLVKDONJSA-N 457.581 3.799 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CBr)CCC12CCC2 2364190166 JTFVADUSYJXCQV-KRWDZBQOSA-N 497.455 3.955 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](NC[C@H]2C[C@H](Br)C2)(C(=O)O)C(F)(F)CC1 2377559029 ZHQXVDFNHSLQPF-PBFPGSCMSA-N 455.340 3.629 50 10 JHGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 10450757 RMCPMHLMBWHBKP-BUHFOSPRSA-N 476.514 3.523 50 10 JHGE Cc1nc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)nn1-c1ccc(F)cc1 15192067 KATFYVOHHMQECE-UHFFFAOYSA-N 463.444 3.508 50 10 JHGE CCOc1ccc(NCc2nnc(SCC(=O)NNC(=O)C(C)(C)C)n2-c2ccccc2)cc1 20829301 OGFUEZJWEYUMCY-UHFFFAOYSA-N 482.610 3.564 50 10 JHGE C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)CCl 35796336 SHOLEHXKNMQJTL-UHFFFAOYSA-N 450.988 3.590 50 10 JHGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1ccccn1 40583295 HLEGGMZWOCPOFQ-UHFFFAOYSA-N 453.768 3.953 50 10 JHGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 206828880 HCHNBBIAARCTCA-YVLHZVERSA-N 488.569 3.687 50 10 JHGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1 254482914 HHYCKOTYSVOAQX-LJQANCHMSA-N 487.025 3.855 50 10 JHGE COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)NCc2ccc(C#N)cc2F)cc1OC 729845653 FQJFMGPGSYQQMT-RGVLZGJSSA-N 484.491 3.715 50 10 JHGE CC(=NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 730584064 TYMULLPIVUJWPQ-QGZVFWFLSA-N 485.635 3.812 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c1C 768745744 CFNBRRMSQVSLMB-RONKMWSCSA-N 453.543 3.713 50 10 JHGE COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1 1088727726 ANYVNZVZIGQQAA-UHFFFAOYSA-N 490.485 3.741 50 10 JHGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(-c2ccc(CC)cc2)[nH]n1 1556057146 NWYFSADVWAEHAG-GOSISDBHSA-N 455.559 3.650 50 10 JHGE CC(C)c1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771734 GHGFVMIAFVOLQH-QSOAKEGCSA-N 464.591 3.882 50 10 JHGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865713977 AEQYMTFJGXAKRJ-OAQYLSRUSA-N 464.497 3.964 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCCC2(CCC2)[C@@H]1Br 1924836602 NNZFQMBTNWKOOV-QFBILLFUSA-N 497.455 3.716 50 10 JHGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 1955763080 QVNBMCGIRMDJFD-GOSISDBHSA-N 467.429 3.808 50 10 JHGE BrC[C@H]1CN(c2ncc(I)cc2Br)CCS1 1988534550 LSUYTRLJTGJUDD-QMMMGPOBSA-N 477.991 3.765 50 10 JHGE COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)C(C#N)=C(C)N 2040419314 ANWYEJSBFFCBSQ-UHFFFAOYSA-N 463.563 3.588 50 10 JHGE CCOc1cc(I)c(C(=O)CCl)c(I)c1 2060134093 QRTQRGVRGYWDAC-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC[C@H](OCCCBr)C1 2207049190 NQPURLTUEDWRIN-NSHDSACASA-N 472.548 3.961 50 10 JHGE O=C(c1cc(I)sn1)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2344150623 SODRAHNHMASDPG-XNCJUZBTSA-N 469.064 3.678 50 10 JHGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC(=O)O)cc2Br)cc1 1082823 WXENIGCLPSTIAD-RIYZIHGNSA-N 475.295 3.865 50 10 JHGE C/C(N)=C(/C#N)C(=O)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 9562747 JHORTLDKCCYHBW-CCEZHUSRSA-N 463.954 3.736 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 12573784 UACABFYSFBKYBQ-UHFFFAOYSA-N 454.596 3.655 50 10 JHGE Cc1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 13994038 UPKFEWCZUZSQPO-OAHLLOKOSA-N 457.324 3.904 50 10 JHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 14037258 HRECOBCCEPPBQX-UHFFFAOYSA-N 494.411 3.589 50 10 JHGE COc1ccc(CN2C(=O)/C(=C/NNC(=O)CSc3ccc(C)cc3)c3ccccc3C2=O)cc1 38183846 PVKDLLVXQPHAHG-BUVRLJJBSA-N 487.581 3.940 50 10 JHGE CCCCCn1nc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c2ccccc2c1=O 107918023 XPODCRNIHRGNCA-DLBZAZTESA-N 452.477 3.716 50 10 JHGE CC(C)[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 136673441 OKWALZMWFHMZQD-JTQLQIEISA-N 464.017 3.909 50 10 JHGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(O)nc2=O)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C 253528229 PQKBGNWYYCABFW-ZTFGCOKTSA-N 470.715 3.828 50 10 JHGE O=C(NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 254400504 IJWXIBVKHQMEGZ-UHFFFAOYSA-N 464.390 3.830 50 10 JHGE CCOc1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(O)c1 254479839 VKLRVMYGIFVEIT-GWRZGQJUSA-N 472.545 3.778 50 10 JHGE CC(C)O[P@](=O)(F)OCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 306121701 KDPHOPZAOAVYRV-MBHOVSTQSA-N 467.544 3.908 50 10 JHGE in-vitro O=S(=O)(NCCCCCI)c1c(Cl)cccc1Br 310699022 CBZNHIKRPABBFV-UHFFFAOYSA-N 466.566 3.986 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)NCCc2ccc(I)s2)cc1 726983517 RNVQUHYQXFWSIM-UHFFFAOYSA-N 471.364 3.837 50 10 JHGE CCOc1ccc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1083947067 GFMRXRJFZBACMB-QGZVFWFLSA-N 452.292 3.654 50 10 JHGE COc1cc(C=NNC(=O)COc2cccc(N(C)C)c2)ccc1OCc1cccc(C(=O)O)c1 1084485934 ORJLRIJFEOWLFU-UHFFFAOYSA-N 477.517 3.568 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)cc1 1466265071 GUJVGXGVZKFELS-LBPRGKRZSA-N 459.915 3.681 50 10 JHGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(N)=O)CCC2 1772750652 ZPNGZSYWYNIFMO-UHFFFAOYSA-N 457.284 3.827 50 10 JHGE CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866976751 GWSFLOAXKVIQBX-RBUKOAKNSA-N 476.396 3.878 50 10 JHGE CC(C)c1csc(/C(C#N)=C(\O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 1872750339 GJTGFRZKIOFHME-SDXDJHTJSA-N 453.973 3.891 50 10 JHGE CN(NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=S)NCc1ccccc1 1923409636 CGYNNFGTDNNOGL-UHFFFAOYSA-N 474.586 3.563 50 10 JHGE O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NN=Cc1sc(N2CCCCC2)nc1Cl 2069618760 VEEFJPYXRCGELC-UHFFFAOYSA-N 498.922 3.609 50 10 JHGE O=C(NN=Cc1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 2069682209 GSAIZOSSHWRKAO-UHFFFAOYSA-N 457.895 3.603 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3ccc(Br)cc3Br)[C@@H]2C1 2083334011 QESBDPQNYDERTA-RBLKWDMZSA-N 458.997 3.938 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CCO1 2117532650 NPAPLJJWKQXRBE-PELKAZGASA-N 455.972 3.836 50 10 JHGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2123232920 XJVBJIGUYBCGNQ-IRXDYDNUSA-N 455.443 3.786 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1csc(CBr)c1)C2 2123236670 IXUMWHLXHLIYMB-LPHOPBHVSA-N 455.443 3.786 50 10 JHGE Cc1c(Br)c[nH]c(=NCCSSCCNC(=O)OC(C)(C)C)c1[N+](=O)[O-] 2128524093 JIZPGUNYZRYJFH-UHFFFAOYSA-N 467.411 3.801 50 10 JHGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2cc(CBr)ccn2)C[C@@H](C)N1Cc1ccccc1 2179812529 RDZHESQQRCTKCH-IXDOHACOSA-N 452.418 3.649 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2233854378 RLLOPZREXMTMJV-BXWFABGCSA-N 497.455 3.524 50 10 JHGE CCOC(=O)[C@H]1C[C@H](OC2CCN(Cc3ccccc3)CC2)[C@H](I)C1 2259462530 ILRATIYCPRYVDQ-QRQLOZEOSA-N 457.352 3.813 50 10 JHGE COC[C@](C)(CBr)N(C)C(=O)c1ccc(Cl)c(I)c1 2268344835 MGBVNTVUTXQTPA-ZDUSSCGKSA-N 460.537 3.817 50 10 JHGE COC(=O)COc1ccc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313568916 YXDHEWIXOBPFLC-UHFFFAOYSA-N 476.270 3.697 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1C 2313616892 NOULPLCTJPUDNQ-UHFFFAOYSA-N 474.586 3.911 50 10 JHGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1OC 2314738007 FSHWLWDFUMWMMG-UHFFFAOYSA-N 494.544 3.781 50 10 JHGE CC(C)[C@@H](Br)[C@@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825983 GSSFMFINYKFRCJ-CRAIPNDOSA-N 473.433 3.570 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@@H]1CCC[C@H]1Br 2338848889 BEYCUWAJXZWNAI-QFBILLFUSA-N 485.444 3.716 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(Br)cc2)cc1I 8405096 WXBUOPZJFVJPPU-UHFFFAOYSA-N 459.081 3.826 50 10 JHGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 14020786 RBTSERGBTZIEKU-UHFFFAOYSA-N 494.411 3.686 50 10 JHGE O=C(Cn1c(-c2cccs2)n[nH]c1=S)NNC(=O)c1ccccc1OCc1ccc(F)cc1 17200624 IUFDEILPGLOROB-UHFFFAOYSA-N 483.550 3.848 50 10 JHGE CCOc1ccccc1N/C=C1/C(=O)N(CCc2ccc(OC)c(OC)c2)C(=O)C(C#N)=C1C 213013413 MLLFAPVVFYIESX-CAPFRKAQSA-N 461.518 3.850 50 10 JHGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H](CI)C(C)C 232749744 LPJMFADBWPHUPE-QMMMGPOBSA-N 452.177 3.557 50 10 JHGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)CNc1cccc2ccccc12 253572932 QTZPJBKULULEPO-RDRPBHBLSA-N 468.561 3.733 50 10 JHGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 254565393 BQCJAZWWKMQMKS-UHFFFAOYSA-N 493.472 3.750 50 10 JHGE CC[C@H](CBr)Cn1cnc(I)c1I 379359147 XJXYJYKESGPHLN-ZCFIWIBFSA-N 468.902 3.513 50 10 JHGE Cc1cc(I)ccc1N[C@@H](C)C(=O)NN=Cc1ccc([N+](=O)[O-])s1 1084097683 HIBBGMJABNFNBG-JTQLQIEISA-N 458.281 3.520 50 10 JHGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)c(OC)c1 1084299552 NJDAMQWTVYYAPT-IBGZPJMESA-N 479.389 3.954 50 10 JHGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc2)cc1 1295899983 UJQZCXBHKBNJET-UHFFFAOYSA-N 455.511 3.747 50 10 JHGE COc1ccc(/C(C#N)=C/c2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)c(OC)c2)cc1OC 1615066126 PXLSJLYOVKCVHV-XDHOZWIPSA-N 498.491 3.978 50 10 JHGE CCOc1c(Br)cc(C=NNC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1OC 1772755825 FYTGTHTVJHTACG-CYBMUJFWSA-N 451.317 3.783 50 10 JHGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1ccc(C(F)(F)F)cc1 1860771055 HLSRWKXHSYDHSD-UHFFFAOYSA-N 472.448 3.605 50 10 JHGE CC[C@](C)(NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866885842 RMTYKVLQTJGBIG-FQEVSTJZSA-N 465.984 3.610 50 10 JHGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)C1 1872961350 JURJFXFJHZFFCJ-RTWAWAEBSA-N 499.571 3.609 50 10 JHGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1cc(I)sn1 1909914094 CBCKKNXWKAWBDD-LBPRGKRZSA-N 450.729 3.644 50 10 JHGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)nn1C 1915114278 OCHXEVNXZARGEL-GFCCVEGCSA-N 465.211 3.547 50 10 JHGE O=C(N[C@@H](CCl)C[C@H]1CCCO1)c1cc(Br)ccc1I 1926748562 JPSPDHGSSIZFKK-GHMZBOCLSA-N 472.548 3.960 50 10 JHGE CC[C@@H](C)[C@@H](CI)NC(=O)c1csc(I)c1 1993391530 WFOOZAVXYJHYNT-VXNVDRBHSA-N 463.122 3.932 50 10 JHGE CN1CC[C@H]([C@@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2033094605 MPVNVPCSPYIKEI-MWLCHTKSSA-N 462.001 3.682 50 10 JHGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123242038 QZIBKUAKERARQN-CALCHBBNSA-N 455.443 3.704 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1ccsc1CBr)C2 2123284905 SZBWALOUIOJQBB-QFBILLFUSA-N 455.443 3.786 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1CC[C@@](CBr)(C(F)(F)F)C1 2167690775 WIOPSDXAGXKNPJ-VIFPVBQESA-N 457.131 3.849 50 10 JHGE C[C@H](Cl)C[C@@H]1COCCN1C(=O)c1ccc(I)c(Br)c1 2185296069 FTIDCGGBSABPEA-GXSJLCMTSA-N 472.548 3.912 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NCCCCCI)C1 2211183942 JWAPJBSUNJRMFX-QIPPXTIRSA-N 458.406 3.993 50 10 JHGE C[C@]1(CBr)COCCN(C(=O)c2ccc(Cl)c(I)c2)C1 2283652554 WQWCXVSZPDAKHP-CQSZACIVSA-N 472.548 3.818 50 10 JHGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1ccc(Cl)c(I)c1 2283665102 UFBYLVZCBLRXHF-MWLCHTKSSA-N 472.548 3.865 50 10 JHGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1 2296543503 IJXRIZMWBQFZIU-OAQYLSRUSA-N 472.545 3.986 50 10 JHGE CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)NN=Cc1ccc(O)c(O)c1O 2297322130 ZYUQZWGXYUGUHJ-UHFFFAOYSA-N 457.486 3.671 50 10 JHGE C[C@H]1CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2338842782 MPVXDLPUCLEDOD-QFBILLFUSA-N 485.444 3.668 50 10 JHGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1c(F)cc(F)cc1F 2343412464 QGLITRYMERGYQJ-AWEZNQCLSA-N 452.292 3.753 50 10 JHGE COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccc(F)c1 3661601 WPTJNMCCIUGJFR-VULFUBBASA-N 450.422 3.589 50 10 JHGE COc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 9695860 NUKPVEMYIUEDOX-UHFFFAOYSA-N 468.735 3.599 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1 13621111 RGUMXQXUTYEFHL-VMEIHUARSA-N 455.580 3.713 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 13621160 YLMIYBMPUUFWPO-UKTHLTGXSA-N 455.580 3.631 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 14031307 JEINFRRDENTIBX-UHFFFAOYSA-N 463.559 3.857 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041624 XMDKOWWCFMJMAR-UHFFFAOYSA-N 476.529 3.715 50 10 JHGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1cccc([N+](=O)[O-])c1 14642225 SYVOYCDLHMHHPH-UHFFFAOYSA-N 470.279 3.864 50 10 JHGE CCN(c1ccccc1)c1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40573483 QKADIKSGJUPLRX-UHFFFAOYSA-N 457.834 3.861 50 10 JHGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(C)cc4)c3[N+](=O)[O-])sc2c1 40657415 BSTZREWLVGDCMT-UHFFFAOYSA-N 451.468 3.812 50 10 JHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] 40659246 GKPIVDPPAJRHLX-UHFFFAOYSA-N 493.358 3.621 50 10 JHGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4cccc([N+](=O)[O-])c4)ccc3[nH]2)cc1OC 169925486 SQNYDWCXMOBUDR-QFEZKATASA-N 459.462 3.843 50 10 JHGE COc1cccc(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1O 254749482 SQCPIXDWVZNIRS-UHFFFAOYSA-N 481.574 3.748 50 10 JHGE O=C(c1scc(Br)c1Br)N1CCCN(CCBr)CC1 707804545 DYDBMTGAQMCWID-UHFFFAOYSA-N 475.044 3.816 50 10 JHGE CC(=O)[C@H]1CC(C(=O)NNc2nnc(-c3ccccc3)n2-c2ccccc2)=NN1c1ccccc1 725883509 DNTDOACPTOJYLW-HSZRJFAPSA-N 465.517 3.601 50 10 JHGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccc(Br)cc1)O[C@H](C)C2 730468622 CCSSNDGGZVASMX-XVGQJIODSA-N 489.366 3.501 50 10 JHGE C[C@@H](CNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc21 914763903 AVKJTJXYWGLYTG-NGIIGVMLSA-N 450.546 3.938 50 10 JHGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 1084319608 RHICBNCKJMEIAK-UHFFFAOYSA-N 466.544 3.573 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)cc(OC)c2O)cc1 1084337899 BMBBDEYJIAODLH-KRWDZBQOSA-N 451.317 3.526 50 10 JHGE COc1ccc(NC(=O)c2c(NC(=O)CN3CC=C(C#N)CC3)sc3c2CCCC3)cc1 1168917751 ABMJCIVHCWRBOO-UHFFFAOYSA-N 450.564 3.982 50 10 JHGE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)ccc1F 1596769570 IRDFWZROTWLJCB-KRWDZBQOSA-N 456.656 3.916 50 10 JHGE Cc1c(C(=O)N2CCCCC2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746247 DAJLYGLWQDMGQQ-UHFFFAOYSA-N 459.344 3.842 50 10 JHGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748105 ROVZEMVXTQWEPK-UHFFFAOYSA-N 480.546 3.930 50 10 JHGE CCOC(=O)c1ccccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1 1858684437 WVHSHKSQTVHXPW-UHFFFAOYSA-N 480.433 3.795 50 10 JHGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(OC(=O)c4ccccc4)cc3)ccc12 1873792865 QHQYFSHEBYTNOG-JFLMPSFJSA-N 456.454 3.850 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1ccc(CBr)c(Br)c1 1887891994 ATWRXWNYXONHMQ-KOLCDFICSA-N 476.028 3.748 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@]2(CCC[C@H]2Br)C1 1918940252 QCLRGOSRANQQBG-UKRRQHHQSA-N 450.114 3.777 50 10 JHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1csc(Br)c1Br 2093947286 SIURERMRQCTDJX-MRVPVSSYSA-N 475.044 3.862 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CC[C@@H](OCCBr)C1 2109126714 WPDOLTCAVUZPGA-SECBINFHSA-N 455.972 3.838 50 10 JHGE CO[C@@]1(CCl)CCN(C(=O)c2ccc(Br)cc2I)C1 2142290009 XAUUFWXUDZPRCC-CYBMUJFWSA-N 458.521 3.524 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)C2 2162588798 KCDMFIXUMOQFMT-ZOBUZTSGSA-N 459.406 3.505 50 10 JHGE CN([C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2163058315 JMQXKPDEXBFZJU-DOTOQJQBSA-N 461.422 3.895 50 10 JHGE Cc1[nH]nc(CBr)c1S(=O)(=O)N(C)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2179820466 YHCHXUMWZFNTFS-AEFFLSMTSA-N 456.406 3.617 50 10 JHGE F[C@@H]1C[C@H](Br)CN(c2ncc(I)cc2Br)C1 2210715374 SRDDEBKNBKAQNG-NKWVEPMBSA-N 463.914 3.760 50 10 JHGE CN(Cc1ccccc1I)S(=O)(=O)[C@@H]1CC[C@@H](CBr)C1 2280352515 SXIOYRLHRZYQGX-DGCLKSJQSA-N 472.186 3.616 50 10 JHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])s2)cc1 2297298859 PCTVIOXZQFIHOF-UHFFFAOYSA-N 450.476 3.586 50 10 JHGE Brc1cc(CN2CCOC[C@@H](Br)C2)ccc1I 2306222141 QLGHYZDTYAFBIT-JTQLQIEISA-N 474.962 3.649 50 10 JHGE C[C@@H]([C@@H](Br)c1ccc(Cl)cc1I)S(=O)(=O)N(C)C 2317778792 QCVPPSGSRUWOSA-WRWORJQWSA-N 466.566 3.661 50 10 JHGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2329618052 YUWBDDAKYUEQKD-UHFFFAOYSA-N 451.523 3.875 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2355843170 FIQRBHNPUVCLOZ-ANULTFPQSA-N 455.462 3.866 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCc1ccc(CBr)cc1 2364195193 NKUSZZWWPPVDTA-UHFFFAOYSA-N 493.423 3.858 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@H](CCBr)O1 2365593689 VUKXHHRZDQJKAD-ONGXEEELSA-N 472.548 3.959 50 10 JHGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(Cc2ncc(I)cn2)C1 2381292814 GCPPQJMKARTHED-RYUDHWBXSA-N 452.178 3.960 50 10 JHGE CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)c1 3200300 AXRFVXAOUGYKGH-CPGHBSSUSA-N 454.596 3.744 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCc2c(F)cccc2Cl)cc1 11532035 BSGGZAJOIAACCW-LFIBNONCSA-N 482.899 3.877 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814776 MTYVLVVAUSPUGQ-KOEQRZSOSA-N 492.448 3.632 50 10 JHGE CCOC(=O)c1sc(NC(=O)N/N=C/c2ccc(OC)c(OC)c2)c(C(=O)OCC)c1C 40840275 KYLYQZJWBIODAB-SSDVNMTOSA-N 463.512 3.583 50 10 JHGE COc1cc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc(OC)c1OC 59379565 UDUUVOLLGWYIFL-DNTJNYDQSA-N 488.132 3.707 50 10 JHGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 59937496 SHTYAUSBDMPLIT-QPJQQBGISA-N 486.204 3.582 50 10 JHGE CCOC(=O)[C@@H]1[C@@H](C(=O)N/N=C/c2c[nH]c3ccccc23)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 229841209 DWIBABBXSRBGGR-GVYHMCJCSA-N 486.450 3.701 50 10 JHGE CCCCOc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 252364443 GHUSIECPNOAPTI-UHFFFAOYSA-N 468.579 3.675 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCS[C@H](CCl)C1 720063865 WSSZSSGYDQHSTD-SECBINFHSA-N 460.562 3.850 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)OC)c(Cl)c2)cc1 725384567 FRMBRTLVRWCTSM-IBGZPJMESA-N 483.348 3.908 50 10 JHGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2scnc2C)c1 729453006 UNCSUGBTBYGPCU-UHFFFAOYSA-N 490.994 3.561 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 746182772 SOAXXACSXNKHPU-SSZFMOIBSA-N 456.520 3.941 50 10 JHGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c1C 1084348472 RYRBVRLKDHSAMK-QFIPXVFZSA-N 450.495 3.975 50 10 JHGE COCCn1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c2cc(OC)ccc21 1873793594 RLGWDTFLVZYNFH-LEEXQRRLSA-N 460.575 3.686 50 10 JHGE Cc1c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)c(Br)nn1C 2014560601 RSVFZFWABTUXBP-CQSZACIVSA-N 459.182 3.543 50 10 JHGE CCCN1CC[C@H]([C@H](Br)c2sccc2I)S1(=O)=O 2029064303 HDDYSERRDZQVIP-ZJUUUORDSA-N 464.188 3.603 50 10 JHGE O=C(N[C@@H](CBr)c1cccs1)c1ccc(I)c(O)c1 2119037606 FPEBDWFJCGNDLY-JTQLQIEISA-N 452.111 3.924 50 10 JHGE NCCSSCCNC(=O)c1cc(Cl)cc(Cl)c1I 2125298169 INIMRPQSBSAPFS-UHFFFAOYSA-N 451.182 3.668 50 10 JHGE O=C(NC[C@]1(CBr)C[C@H]1C(F)(F)F)c1cccc(I)c1 2192578866 IRTBHKDGPFRMMA-ZYHUDNBSSA-N 462.047 3.985 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@]2(C[C@@H](Cl)CO2)C1 2201776585 CLOJGDJMKCLFOT-QMTHXVAHSA-N 470.532 3.666 50 10 JHGE CC[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306145169 BYWNIVHQPQZADR-JLTOFOAXSA-N 481.681 3.629 50 10 JHGE CCOC(=O)c1ccc(NC(=O)C(C#N)=CNCCc2ccc(OCC)c(OCC)c2)cc1 2324339409 YEBFUGWHGSGQEE-UHFFFAOYSA-N 451.523 3.839 50 10 JHGE COc1ccc2c(c1)c(C=NNC(=O)Cn1cnc3scc(-c4ccccc4)c3c1=O)cn2C 2325903644 JFJDBNSKUYESHF-UHFFFAOYSA-N 471.542 3.776 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)CC12CCC2 2338849065 CSVNZQGEVWAVCF-INIZCTEOSA-N 483.428 3.565 50 10 JHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 14032359 GUONBYVEQFVZIT-UHFFFAOYSA-N 470.378 3.887 50 10 JHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1 14041962 MZQXGIGQQWJODN-UHFFFAOYSA-N 470.595 3.799 50 10 JHGE O=C1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)SC(NNC(=O)c2ccccc2Cl)=N1 22707002 ICYQKAPOCKYFLS-CQSZACIVSA-N 470.860 3.620 50 10 JHGE O=C(CN1C(=O)/C(=N/NC(=O)c2ccccc2)c2cc(Br)ccc21)Nc1ccccc1 100056943 YIRRYPPSBIPLFQ-YYADALCUSA-N 477.318 3.569 50 10 JHGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(CCc3ccc(OC)cc3)CC2)c1C 211055459 FVQDDXLIAYVLQJ-DIWDRYHZSA-N 464.610 3.615 50 10 JHGE CC(C)(CBr)NC(=O)c1cc(I)ccc1Br 232522592 PRLLNEBZKOENNS-UHFFFAOYSA-N 460.935 3.957 50 10 JHGE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)o1 252605107 GFMOOXKWORKVPD-QHCPKHFHSA-N 492.488 3.797 50 10 JHGE CCc1c(C)nc(SCC(=NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)nc1O 254379580 CSYKCGYSHAPVSR-UHFFFAOYSA-N 451.508 3.888 50 10 JHGE O=C(CBr)c1cc(F)cc(I)c1I 306932696 DWBZBGZNKSQXSH-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)c1 725386059 LWVCKUKSEPORHU-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE COc1ccc(C(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1OC 1084075152 HRXFDKBKXLTTBR-UHFFFAOYSA-N 454.504 3.544 50 10 JHGE CC(=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 1084195378 KAURXJTVMNZSIR-UHFFFAOYSA-N 473.518 3.870 50 10 JHGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc(Br)c1O 1865688559 VCXNGJIDJQIFCD-NSHDSACASA-N 459.222 3.524 50 10 JHGE CC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1ccc(SC#N)cc1 1866621779 CXMYOEHEZJWFSL-SFHVURJKSA-N 463.519 3.578 50 10 JHGE COc1ccc(C=C(C#N)C(=O)OCC(=O)Nc2ccc(I)cc2C)cc1 2040425657 AVWSWTIXHDYFBH-UHFFFAOYSA-N 476.270 3.697 50 10 JHGE Cc1ncsc1CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2179792193 CPAYXTKPMPBUKS-UHFFFAOYSA-N 460.238 3.991 50 10 JHGE Cc1ccc([C@H](Br)CS(=O)(=O)N2CCCCC2)cc1I 2232824576 BDDRLOZPGMLRIP-CYBMUJFWSA-N 472.186 3.851 50 10 JHGE CN(C(=O)c1cc(I)sn1)[C@@H](CBr)Cc1ccccc1 2296332157 NGCBIJKWIYOABO-LLVKDONJSA-N 465.154 3.826 50 10 JHGE Cc1ccc(CNC(=O)C(C#N)=C2N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 2296336980 BDEUIGLZYZQLGU-UHFFFAOYSA-N 465.469 3.645 50 10 JHGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2313864264 HAHGRHWRFJUAQG-UHFFFAOYSA-N 478.961 3.941 50 10 JHGE CC[C@@H](C)[C@@H](CI)NC(=O)c1c(Br)c(Br)nn1C 2316834835 VCTUZQMHYANBFJ-RNFRBKRXSA-N 492.981 3.525 50 10 JHGE CCN(CC)CCN(C(=O)C(C#N)=Cc1ccc(Br)cc1)C(=O)c1ccc(N)cc1 2324498909 BPXFDXVFXLVUIB-UHFFFAOYSA-N 469.383 3.949 50 10 JHGE C[C@H]1C[C@@H](C(F)(F)F)N(CCOCCI)CCN1C(=O)OC(C)(C)C 2326642821 ULZIIAMALMKPOY-STQMWFEESA-N 480.309 3.700 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NC[C@@]3(CBr)CC3(F)F)CC2)C1 2351888946 LYZFRCMMWLBGGC-INIZCTEOSA-N 457.381 3.906 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1C 12573845 PWOJFOLFQHGTDB-UHFFFAOYSA-N 454.596 3.655 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)Cc1cccc2ccccc12 13976946 DPGAUADEFZCDIM-UHFFFAOYSA-N 462.358 3.790 50 10 JHGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 20829203 UHDVTNQGMXZTRR-UHFFFAOYSA-N 488.411 3.982 50 10 JHGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(-c2ccccc2Br)n1-c1ccccc1 20829365 ZMUYHSDVHMZIJT-UHFFFAOYSA-N 488.411 3.982 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NCCc2ccccc2)c1[N+](=O)[O-] 40610300 ODVUAQOXIZNAND-UHFFFAOYSA-N 477.308 3.868 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40649181 ROMQHQOSLWJWDW-UHFFFAOYSA-N 474.231 3.556 50 10 JHGE COc1cc(C(=O)N/N=C/c2ccc(SCC(=O)Nc3ccccc3)o2)cc(OC)c1OC 59392299 ZHQAESLZYQUMMS-ZMOGYAJESA-N 469.519 3.800 50 10 JHGE CC(=O)OCC(=O)[C@]1(O)[C@@H](Br)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924436 PWVPSOWELFUEGX-NZKLXDHZSA-N 467.400 3.755 50 10 JHGE COC[C@@H](CCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 228305282 CCXYQSVJWMXTMA-MRVPVSSYSA-N 470.010 3.834 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H](CBr)O1 232350890 OOSOIOWKTLUMLE-WPRPVWTQSA-N 458.521 3.569 50 10 JHGE CC(=NNC(=O)c1c(Br)cnn1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 252624256 PKFHOEWXGMOZSQ-UHFFFAOYSA-N 458.291 3.728 50 10 JHGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)CCCSc1nnc(N)s1 253568655 LMQCTYDYLREEEA-BUVRLJJBSA-N 484.655 3.627 50 10 JHGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1 254391308 TWRWBEOMFCPFJQ-UHFFFAOYSA-N 458.543 3.945 50 10 JHGE FC(F)(F)Oc1c(I)cnc(I)c1CCl 396177637 GOOCYGGXQZOAHJ-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE FC(F)(F)Oc1nc(CCl)c(I)cc1I 396183338 RNFNENWSZMYGFF-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE COC(=O)[C@@H](Br)C1(Oc2ccc(OC)c(I)c2)CCC1 712918994 IJHJYAOZBWSNKY-GFCCVEGCSA-N 455.086 3.538 50 10 JHGE COc1ccc(Br)cc1C=NNC(=O)c1cccc(I)c1 1084222196 TUYWBBCPQVSPKW-UHFFFAOYSA-N 459.081 3.826 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(F)c(F)c1 1084345528 PEJIYZOYGRTFMW-HNNXBMFYSA-N 456.522 3.985 50 10 JHGE COc1cc(C=NNC(=O)Cn2nnc3ccccc32)ccc1OCc1c(F)cccc1Cl 1084502617 QJKSHUDCTPUUDL-UHFFFAOYSA-N 467.888 3.962 50 10 JHGE C=CC[C@H](NC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccncc1 1312021601 NMIHRXCNTIZTIF-LOSJGSFVSA-N 455.562 3.656 50 10 JHGE C=C(C)Cn1c(SCC(=O)NNC(=S)Nc2cccc(C)c2C)nnc1-c1ccco1 1440578098 OEWJBUOEUQLQGR-UHFFFAOYSA-N 456.597 3.841 50 10 JHGE C=CCn1c(S[C@@H](C)C(=O)NNC(=O)CC)nc2sc(-c3ccccc3)c(C)c2c1=O 1472970537 DWTOQGUIYIVGKT-AWEZNQCLSA-N 456.593 3.657 50 10 JHGE C#CCOc1ccc(F)cc1NC(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 1562440301 DFSQYGXJKIPNNZ-UHFFFAOYSA-N 455.449 3.914 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)C(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 1651535948 HLQCAWBFYVBDHX-UHFFFAOYSA-N 456.593 3.515 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNc2ccc(F)cc2)CCC3)cc1 1772750924 QQRUMDZPVATZHK-UHFFFAOYSA-N 450.470 3.963 50 10 JHGE O=C(CCCC[C@H]1CCSS1)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1860191796 HDJYOGJAQJVKJH-QAPCUYQASA-N 470.060 3.639 50 10 JHGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H](Br)C1 1877389116 PEJLUHTVEOQLBA-LEUOFYLZSA-N 455.393 3.775 50 10 JHGE O=C(CCl)c1c(OC(F)F)ccc(I)c1I 2060185101 IKVATNGGQZLVNC-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE O=[N+]([O-])c1cc(-n2nc(CBr)c(I)c2C(F)(F)F)ccn1 2078930240 SPVLLPMDBYUTKU-UHFFFAOYSA-N 476.978 3.694 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H]3C(CBr)[C@@H]3C2)cc1Br 2146866122 INHAZNUPQFUCBG-UWVGGRQHSA-N 488.039 3.781 50 10 JHGE O=C(c1ccc(F)cc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2190678416 LJWUKDYKOSKIHV-JAAHAHCPSA-N 456.068 3.909 50 10 JHGE Cc1ccc(C(=O)N2CCC(I)CC2)cc1I 2212993532 YUFXKBWHODREEX-UHFFFAOYSA-N 455.077 3.639 50 10 JHGE O=C(c1c(F)cccc1I)N1CC[C@@H](CBr)C(F)(F)C1 2282802804 BLKBZAPAQGYGPD-QMMMGPOBSA-N 462.047 3.923 50 10 JHGE CNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1cccc(C(F)(F)F)c1 2296878232 UUXZWCDMNROHEF-SFHVURJKSA-N 461.465 3.886 50 10 JHGE CN(C)[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2325225764 ITONCKGSCFVVKU-WCQYABFASA-N 488.005 3.563 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2330883474 IRTFPDRNHFHGGH-LKEWCRSYSA-N 474.012 3.755 50 10 JHGE C[C@@H](Br)CN(C1CCCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2342935842 WSPKDQJZRKPTNA-MRXNPFEDSA-N 485.444 3.811 50 10 JHGE CN1CCC(CBr)(NC(=O)c2csc(Br)c2Br)CC1 2352948825 VBXVLGUHYPGDNR-UHFFFAOYSA-N 475.044 3.862 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC[C@@]2(C[C@H](Br)CO2)C1 2365587436 XNPMLDCBPDDZTK-LKFCYVNXSA-N 470.532 3.713 50 10 JHGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1ccc(Cl)cc1I 2365593335 TZLLWQHZVPPGJC-GXSJLCMTSA-N 472.548 3.865 50 10 JHGE Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3O)nnc2-c2ccccc2)cc1 651112 ADKLPEKDSPIHNK-UHFFFAOYSA-N 459.531 3.502 50 10 JHGE COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3[N+](=O)[O-])cc2OC)c1 3142079 CCQLNFYEJPUVLY-VULFUBBASA-N 493.472 3.669 50 10 JHGE Cc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1Br 12488925 MJUMXKFIWMQXGS-UHFFFAOYSA-N 456.134 3.668 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 14834016 OGBXBYHZIVRGES-RUDMXATFSA-N 482.787 3.525 50 10 JHGE COc1cc(OC)cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 20288053 NKRLDPFKZJQZGP-HAVVHWLPSA-N 456.502 3.663 50 10 JHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)[C@H](Br)C2=O 35548831 KKSNEYRTVHEHDO-PJSAGSTRSA-N 462.171 3.913 50 10 JHGE C=CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3cccc(C)c3)c3ccccc31)C(C#N)=C(N)O2 39919102 OFVLFKLYJLUYRH-NDEPHWFRSA-N 464.525 3.570 50 10 JHGE C/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2O)n1N)c1ccc2ccccc2c1 58991230 VZDGHUSIPUWWGD-QQXSKIMKSA-N 460.563 3.930 50 10 JHGE COc1ccc(CCNC(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc(F)cc3)c3ccccc32)cc1 102673683 QCNXKSSKHHJVNP-WCWDXBQESA-N 468.488 3.618 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H](CBr)O1 235649497 NBZWKLAAKDUCHI-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE COc1cc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)ccc1OC(C)C 727366043 QSPKFFCHGVHGET-UHFFFAOYSA-N 468.579 3.770 50 10 JHGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=CC(Cl)(Cl)Cl 1084229929 WRLKOIUDKISZJF-UHFFFAOYSA-N 455.758 3.894 50 10 JHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744212 BFUMCHXGCLWHEV-UHFFFAOYSA-N 482.899 3.926 50 10 JHGE CCC(CC)C(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858663023 OCCBZAVOHWFFSZ-UHFFFAOYSA-N 460.581 3.823 50 10 JHGE CN1CC[C@@H]([C@@H](Br)c2c(Br)cccc2Br)S1(=O)=O 2033094599 MPVNVPCSPYIKEI-GXSJLCMTSA-N 462.001 3.682 50 10 JHGE O=S(=O)(c1csc(CBr)c1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2123242958 CUBOYBUQTKHMPH-LJQANCHMSA-N 455.443 3.930 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 2177853090 ZBFOINSBOMQUAE-OKAXRFMISA-N 465.531 3.519 50 10 JHGE CCn1cc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1CBr 2179784927 FXOWQSZCYMBPQF-IRXDYDNUSA-N 454.434 3.686 50 10 JHGE C[C@]1(C2CC2)CN(S(=O)(=O)c2occc2CBr)CCN1Cc1ccccc1 2179826350 RASMSGGSBIRVLV-HXUWFJFHSA-N 453.402 3.850 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)c1c(N)cc(Br)cc1Br 2196929174 BWFWCEMIKXCZMF-ZKCHVHJHSA-N 491.043 3.588 50 10 JHGE CC12COC(COC3(CI)CCN(C(=O)OC(C)(C)C)CC3)(C1)C2 2247385684 GWJUSLICLOGMIP-UHFFFAOYSA-N 451.345 3.777 50 10 JHGE COc1ccc([C@H](Br)[C@H]2CCCCS2(=O)=O)cc1I 2269539636 FEDJQECJTWVLBN-OLZOCXBDSA-N 459.143 3.703 50 10 JHGE CC(C)(C)CCN(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2274152585 MAYSPWSOUVVOGP-UHFFFAOYSA-N 487.460 3.916 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1CCOCCI 2306802021 LKNCZJQAKUQTCK-HZPDHXFCSA-N 452.377 3.692 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(Nc3nc(O)c4ccccc4n3)cc2)cc1[N+](=O)[O-] 2323766277 VZCHSJHZBISNSH-UHFFFAOYSA-N 458.434 3.760 50 10 JHGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OC)c(O)c3Br)nc2c1 2331046425 VCQIYHBUBJTCCL-UHFFFAOYSA-N 456.252 3.663 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@H](Br)C1(C)C 2338690755 KRZWZGSRQCLALU-ZETCQYMHSA-N 457.992 3.723 50 10 JHGE C[C@@H](Br)COCc1cn(Cc2ccc(Cl)c(I)c2)nn1 2362335946 BSCMNCSGPYIQJV-SECBINFHSA-N 470.536 3.884 50 10 JHGE CN(CC[C@H](Br)c1cccs1)C(=O)c1cnn(C)c1I 2365975610 ZDACUVDADOQJRZ-JTQLQIEISA-N 468.158 3.685 50 10 JHGE O=C(NNC(=S)NC(=O)c1cccc(Cl)c1)c1ccc(NC(=O)C2CCCCC2)cc1 14005283 XEPICRCYJKVTJL-UHFFFAOYSA-N 458.971 3.808 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)cc1 14030631 ANLRQIKPMJNBKA-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812822 BXMYUWSQTWYJDJ-OVVQPSECSA-N 498.381 3.838 50 10 JHGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3cc(OC)ccc3oc2=O)c(OCC)c1 40949529 CISXGNPMSOOVDZ-LICLKQGHSA-N 463.442 3.890 50 10 JHGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 58894123 OFMVTDUSBFVSKR-ANRZFROFSA-N 492.956 3.653 50 10 JHGE C[C@@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59146416 PIESZIPQUHIILZ-MEFNAMQOSA-N 461.503 3.538 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccccc1O 59829645 OJUYPLABRUGNTQ-XUANBZSPSA-N 450.568 3.803 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1 100449510 RLWUEFZAIJFZET-UHFFFAOYSA-N 499.308 3.927 50 10 JHGE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/NNC(=O)C12CC3CC(CC(C3)C1)C2 101112927 WVOVIDLNJCAAMK-XDHOZWIPSA-N 457.372 3.893 50 10 JHGE C/C(NNC(=O)c1ccncc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 205953379 SVPJCVYSDAGXFE-HMMYKYKNSA-N 454.515 3.651 50 10 JHGE CCn1c(SCC(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])nnc1-c1ccc(OC)c(OC)c1 254523256 HBALBKBPVPSALT-DBRGMQFJSA-N 496.549 3.798 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](Br)[C@H](C)C2)cc1Br 387606413 XFPUVZAHGLLHAS-LDYMZIIASA-N 476.028 3.924 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(O)c(O)c2)[C@@H](CI)C1 394676481 SWBUXRMSTFPAKS-JKSUJKDBSA-N 453.276 3.885 50 10 JHGE BrCc1cn(-c2cc(I)cc(I)c2)cn1 690419552 JMSNEWSRGRIBAJ-UHFFFAOYSA-N 488.892 3.976 50 10 JHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2sccc2C)c2ccc(C)cc2)cc1OC 1083898707 YWXHDWVWSCAVGG-UHFFFAOYSA-N 487.603 3.728 50 10 JHGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 1084633217 LMTFLWALNPQWKP-GOSISDBHSA-N 492.963 3.993 50 10 JHGE C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccc(Br)cc4F)c(=O)c23)C1 1860773046 NQDGAEUTGQBWQN-PCFHJBBPSA-N 477.359 3.635 50 10 JHGE CCCc1nc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c(Br)[nH]1 1905342033 GUESDTQIWDEWKB-SNVBAGLBSA-N 455.150 3.727 50 10 JHGE CCN(C[C@](C)(CI)O[C@H]1CN2CCC1CC2)C(=O)OC(C)(C)C 2021067728 IOESONTWSWAXLF-YJBOKZPZSA-N 452.377 3.548 50 10 JHGE C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(OCC#N)c1 2059028282 LZDFGYJABFQZNN-HZHRSRAPSA-N 454.533 3.605 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2121590184 BYMVBQCWSKDBOT-ZQARSLAVSA-N 474.012 3.755 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2132542780 JDJBBDOFUJKFCA-MTBHXBHISA-N 474.012 3.755 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2I)C[C@@H]1Cl 2142279621 SHWBGMSXCWGKSD-UBHAPETDSA-N 458.521 3.568 50 10 JHGE O=C(c1cc(I)ccc1O)N1CCC2(CC1)C[C@H]2CBr 2148911388 ZEJRDDLAMGUKCX-JTQLQIEISA-N 450.114 3.634 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2NS(=O)(=O)c2ccc(CBr)cc2)C1 2162592659 WOJSGRKDYWDXCN-INIZCTEOSA-N 459.406 3.649 50 10 JHGE O=C(N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2)c1ccc(I)c(O)c1 2204561334 FOFZCBWUHRILKM-MVVXRAEJSA-N 450.114 3.679 50 10 JHGE CCN(C[C@@](C)(CI)OCCOC(F)(F)F)C(=O)OC(C)(C)C 2242767347 HNLAHARQGJYSPK-CYBMUJFWSA-N 455.255 3.990 50 10 JHGE COc1cc(OC)c([C@@H](Br)c2nn(C)nc2Br)cc1Br 2295421740 RDLIUCWEMSMLLV-SNVBAGLBSA-N 469.959 3.842 50 10 JHGE CCNC(=O)C(C#N)=Cc1c(N2CCC(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 2296731255 JJSDWKDQCUKTNY-UHFFFAOYSA-N 455.562 3.505 50 10 JHGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 2324268986 OLVNLEPQDCGKEB-UHFFFAOYSA-N 459.333 3.886 50 10 JHGE CC(C)c1ccccc1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2324358753 ZRXZWVJAVKCYHQ-UHFFFAOYSA-N 488.997 3.942 50 10 JHGE COC(=O)c1[nH]c2ccc(F)cc2c1C=NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 2328798569 LXNJXWSGALDREA-FQEVSTJZSA-N 482.512 3.680 50 10 JHGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1C(=O)c1c(Br)c(Br)nn1C 2338670155 NBPLGPDDMAKBHM-CSMHCCOUSA-N 457.992 3.579 50 10 JHGE CN(CC[C@H](Br)c1cccs1)c1ncnc(O)c1I 2340488844 JEMPANBVTWWTHZ-QMMMGPOBSA-N 454.131 3.811 50 10 JHGE Cc1nn(-c2c(CBr)c(C(F)(F)F)nn2C)c(C)c1I 2365276077 CHZBLJPQWQGYRK-UHFFFAOYSA-N 463.039 3.741 50 10 JHGE CCOc1cc(C(=O)NNC(=S)Nc2ccc(OC)cc2OC)cc(OCC)c1OCC 13923871 KKDOJZHPXPJHLC-UHFFFAOYSA-N 463.556 3.531 50 10 JHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1Br 14770880 NKMNSTRDLYVWAS-UHFFFAOYSA-N 494.411 3.686 50 10 JHGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 23738553 ZOXITCKFKAXSCG-WOJGMQOQSA-N 468.506 3.763 50 10 JHGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207191527 XTEZEGXUCXSJAY-ULKWBNOWSA-N 476.529 3.869 50 10 JHGE FC(F)(F)Oc1cc(I)c(CCl)c(I)n1 396187397 XKVKREALBYQUBG-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 731185985 FTKBWDJAQYOZFW-CLJLJLNGSA-N 499.592 3.883 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCC2(c3ccccc3)CCCC2)cc1 920851304 GFIVRFCDIGGAOJ-XLNRJJMWSA-N 497.599 3.969 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)c2cccc(Br)c2)c1C 1084582803 WIIKPZZVAUMRLN-UHFFFAOYSA-N 472.299 3.932 50 10 JHGE Cc1ccc(OCc2nc(CC(=O)NCC(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1868128825 IPJWRIZYWRVKJD-UHFFFAOYSA-N 452.561 3.901 50 10 JHGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1915115479 MRXFNBXWVQTWMV-LJQANCHMSA-N 462.999 3.912 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCN3CCC[C@H]3C2)CC1 2078758902 MMNOIJHFEGFCKH-HOTGVXAUSA-N 464.388 3.835 50 10 JHGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)CCC(F)(F)CBr 2123364351 WEQOFODZXWEINA-KRWDZBQOSA-N 453.393 3.581 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2150957932 IJBHDRAKCQLVNT-TUAOUCFPSA-N 450.114 3.632 50 10 JHGE CC[C@@]1(CCl)COCCN1C(=O)c1cc(I)ccc1Br 2169036357 LFLIAPPDFOHUTM-CQSZACIVSA-N 472.548 3.914 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)cc(F)c1F 2179859743 IPVXRKNJXCLPHI-AWEZNQCLSA-N 459.356 3.755 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc([N+](=O)[O-])ccc1Br 2181741783 RTGZGBOXVSZAHB-UHFFFAOYSA-N 480.406 3.993 50 10 JHGE CO[C@@H]1CN(Cc2cc(Br)ccc2Br)[C@H](CBr)[C@H]1OC 2233362415 UOHVKXIKIVHXGC-MGPQQGTHSA-N 472.015 3.821 50 10 JHGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2256606527 UCYSRCVPISMXPH-XMMPIXPASA-N 492.768 3.522 50 10 JHGE C[C@H](Cl)c1nc2cc(Br)cnc2n1-c1cnn(C)c1I 2280059427 ZQOPUBUTPCFFAD-LURJTMIESA-N 466.508 3.821 50 10 JHGE N#CC(=Cc1c(N2CCCCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2296545440 QTUMZEOFHXIYGF-UHFFFAOYSA-N 454.939 3.677 50 10 JHGE COc1ccc(Br)cc1S(=O)(=O)N[C@H](CCCl)COCc1ccccc1 2343788503 RASCFFPMPJRIOQ-MRXNPFEDSA-N 462.793 3.950 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1C[C@H](Cl)C12CCC2 2364205909 OGJGCWMYBMCHEC-LPHOPBHVSA-N 453.004 3.560 50 10 JHGE CCOCCOc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 9825550 WAWMTNZTRWRDNB-UHFFFAOYSA-N 487.350 3.858 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=O)c1ccccc1OCCOc1ccccc1 14040582 JTNXDBRPLCWZBK-UHFFFAOYSA-N 485.334 3.747 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644253 WGPYVHJIJHHOMA-NSHDSACASA-N 468.735 3.680 50 10 JHGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2[N+](=O)[O-])cc1 40645774 IKVQVTOLJJNBDK-UHFFFAOYSA-N 456.846 3.715 50 10 JHGE Nc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1O 382701246 OOVFXDCDJHYJQG-JKSUJKDBSA-N 452.292 3.762 50 10 JHGE Cc1cccc(C(=O)N2CCS[C@@H](CCBr)C2)c1I 720040684 NJIXPZKTILVLDC-NSHDSACASA-N 454.171 3.942 50 10 JHGE Cc1ccc([C@@H](CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)N2CCOCC2)cc1 918655135 DTYUBVKRZLRMQL-HPFVHPJRSA-N 494.599 3.869 50 10 JHGE Cc1cc(C=NNC(=O)C(=O)NCc2ccccc2)c(C)n1-c1cccc(Br)c1 1083946105 ZDCIIIDAEQDNJX-UHFFFAOYSA-N 453.340 3.623 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc2c3c(cccc13)CC2)c1ccc(Br)cc1 1084153359 QFBVNSWZCZLNDO-UHFFFAOYSA-N 486.391 3.617 50 10 JHGE C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N(C)C)cc1I 1084379270 KBXIQXROQGAYGD-IZZDOVSWSA-N 461.097 3.614 50 10 JHGE O=C(CC(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)NCCc1ccccc1 1084623172 LCUOFSGQOUUFHF-UHFFFAOYSA-N 492.963 3.557 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(Cl)c(F)cc1F 1260207627 ZOTDNOTYAPSMFI-UHFFFAOYSA-N 462.993 3.803 50 10 JHGE CCN(C(=O)OC(C)(C)C)C1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 1260507730 ZGUNHTYOGQXELC-UHFFFAOYSA-N 461.422 3.992 50 10 JHGE C=C(CNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)c1ccccc1 1570075527 KLRFLIQFANKDNF-DEDYPNTBSA-N 459.937 3.815 50 10 JHGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1914352119 ZCORZPHPEWERDX-KRWDZBQOSA-N 493.423 3.678 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@@]2(CCC[C@H]2Br)C1 1918940251 QCLRGOSRANQQBG-HIFRSBDPSA-N 450.114 3.777 50 10 JHGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1Br 2008834201 APXQTROOFCPTDR-HNNXBMFYSA-N 479.238 3.793 50 10 JHGE O=C=Nc1cc(OC(F)(F)F)cc(I)c1I 2060035861 SYBYIBAZSNAKJS-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE C[C@@H](NC(=O)c1sccc1I)c1nnc(CBr)s1 2072471387 NNMWHYBTYDIPOU-RXMQYKEDSA-N 458.144 3.590 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1scc(Br)c1Br 2122394370 WGQLBPISCYHFEW-JGVFFNPUSA-N 475.044 3.813 50 10 JHGE O=S(=O)(c1cc(CBr)cs1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2123242649 YYYAOCSOHWIADH-UHFFFAOYSA-N 465.385 3.785 50 10 JHGE CCCN1CCC[C@H]([C@H](Br)c2ccccc2I)S1(=O)=O 2145778315 PEIBEZPCVDLOOZ-ZIAGYGMSSA-N 472.186 3.931 50 10 JHGE COc1ccc(S(=O)(=O)N(C)C2CC(OCc3ccccc3)C2)cc1CBr 2179859269 AXWGCOTXQLEGDR-UHFFFAOYSA-N 454.386 3.958 50 10 JHGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2)c(OC)c1 2314737414 ILIQGQUVUSTVFW-UHFFFAOYSA-N 473.323 3.875 50 10 JHGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 2329614737 OBNPDFXLJDRYHT-UHFFFAOYSA-N 452.492 3.647 50 10 JHGE Cc1oc(C(=O)NN)cc1CSc1cc(I)ccc1Br 2363658377 NFMLMXZVBMXUPL-UHFFFAOYSA-N 467.126 3.851 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016308 FQURHKUJHIQFOG-UHFFFAOYSA-N 499.633 3.557 50 10 JHGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1OC 33959224 IDLHOAIZTQGDLA-AFUMVMLFSA-N 479.445 3.604 50 10 JHGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 38659749 AUMJTISKOJSFPO-AREMUKBSSA-N 488.496 3.915 50 10 JHGE COc1cc2c(c(OC)c1C(=O)OCCl)-c1ccc(SC)c(=O)cc1[C@H](NC(C)=O)CC2 98091765 ZSPDEGWRRUIQQA-MRXNPFEDSA-N 477.966 3.929 50 10 JHGE C[C@H](NC(=O)/C(C#N)=C1/N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccccc1 102984990 PGEXNCTZQKDCTN-LSJZCYCUSA-N 465.469 3.897 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](Br)C2CC2)cc1Br 136646968 LMLWARWHKVDLHI-LLVKDONJSA-N 476.028 3.972 50 10 JHGE COc1ccccc1NC(=O)C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 254413620 WOSVMYPWDQQGGD-UHFFFAOYSA-N 453.502 3.945 50 10 JHGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])s2)cc1 254617833 WYWLLDUVXLWAEE-FKACPRQNSA-N 463.519 3.644 50 10 JHGE O=C(NC[C@@]1(CCl)CCCOC1)c1cc(Br)ccc1I 700896745 CLZULHXWMSLWSP-AWEZNQCLSA-N 472.548 3.819 50 10 JHGE COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)cc1[N+](=O)[O-] 725432735 KLDDVDPUIWCWOY-OLZOCXBDSA-N 462.284 3.989 50 10 JHGE C[C@H](Sc1ncccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC1 726156810 JZZHZRGENASJDP-INIZCTEOSA-N 454.596 3.557 50 10 JHGE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(c1)N(C)C(=O)CO2 1858693338 HLUMCTLSRCCGFN-CQSZACIVSA-N 492.444 3.606 50 10 JHGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1OC 1865758292 SSKMWRZUUHEHHX-NTUHNPAUSA-N 477.517 3.566 50 10 JHGE O=C(N[C@H](C[S@@](=O)CC1CC(Cl)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893513520 KSFFZDAQQGQGSU-LHELDSRHSA-N 461.967 3.744 50 10 JHGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1cc(CCl)oc1Br 1915034841 YLVWJBANOJFHFD-UHFFFAOYSA-N 458.765 3.846 50 10 JHGE Cn1ncc([C@@H](Br)Cc2ccncc2Br)c1I 1924062486 FICLDEGEWUQMCA-VIFPVBQESA-N 470.934 3.861 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc(I)c(C[C@H](O)CBr)c1 1952539571 WBQUKNHEUYTYJN-NSHDSACASA-N 456.118 3.937 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CCC[C@@](CBr)(C2)C1 2199681332 YCVMVIMKRFGVRQ-JTSKRJEESA-N 497.455 3.670 50 10 JHGE Cc1ccc(NC(=O)COc2ccc(C=C(C#N)C(=O)NC[C@H]3CCCO3)cc2Cl)cc1 2294146966 MENOIJZPAGLJCP-HXUWFJFHSA-N 453.926 3.868 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1 2314737502 PUOUEQWEMVGSGG-UHFFFAOYSA-N 479.316 3.656 50 10 JHGE CC[C@@](C)(CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823438 AZWCTWDWAUXJIO-FQEVSTJZSA-N 473.433 3.716 50 10 JHGE CCCCCOc1ccc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1OCC 2323098297 QLGZCELNCJYVGN-UHFFFAOYSA-N 450.539 3.974 50 10 JHGE COC(=O)c1ccc(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2325406537 ZOFCBBHOSIJJBQ-UHFFFAOYSA-N 461.259 3.844 50 10 JHGE Clc1ccc(CN2C[C@H]3COC[C@@H](C2)C3Br)c(I)c1 2341041581 LRNTXQYINCEMAF-BVUQATHDSA-N 456.549 3.786 50 10 JHGE CO[C@@]1(CBr)CCCN(C(=O)c2ccc(Cl)cc2I)C1 2365590306 FGRURWQSUMVDRN-CQSZACIVSA-N 472.548 3.961 50 10 JHGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 10450660 ZHHGRANEVAFRHN-RMKNXTFCSA-N 497.360 3.796 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccc(Br)o1)c1ccc(OCc2ccccc2)cc1 14028027 IGSTWAVQCIHLKJ-UHFFFAOYSA-N 474.336 3.570 50 10 JHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 14641669 PAKIKYYLIKGJNB-MRXNPFEDSA-N 451.548 3.732 50 10 JHGE O=C(NNc1ncnc(Nc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40626347 URHYKCFEQXDMEB-UHFFFAOYSA-N 480.828 3.995 50 10 JHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3F)cc2)C1=O 101341727 FBGBFWPSLUNZGI-HZHRSRAPSA-N 492.503 3.577 50 10 JHGE COc1ccc([N+](=O)[O-])cc1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217254283 UGELJXGHAQCIFC-BENRWUELSA-N 478.246 3.975 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2cc(Br)cc(Br)c2)C1 311827922 OOVYEFFQMGGHQW-VXGBXAGGSA-N 455.972 3.836 50 10 JHGE C[C@@H](Br)C1CN(C(=O)c2cc(I)ccc2Br)C1 719888614 NOGHFKHTUASLCL-SSDOTTSWSA-N 472.946 3.909 50 10 JHGE C[C@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc21 914763897 AVKJTJXYWGLYTG-AOMYKUFJSA-N 450.546 3.938 50 10 JHGE C=CC[C@@H](NC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccncc1 1312021599 NMIHRXCNTIZTIF-JWQCQUIFSA-N 455.562 3.656 50 10 JHGE CN(CC(=O)Nc1ccc(Br)cc1Br)C[C@H]1C[C@H]1Br 1887907473 GNDHCENOVOMAOL-PSASIEDQSA-N 454.988 3.865 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2csc(Br)c2Br)C1 2032954178 YFAMBPMJHYTKLV-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2csc(Br)c2Br)[C@H]1Br 2078736167 CVBPTYHTMYYPFB-POYBYMJQSA-N 462.001 3.944 50 10 JHGE CCCN1CCC[C@@H]([C@H](Br)c2sccc2I)S1(=O)=O 2089520702 XFPKLAWQYYRCLD-QWRGUYRKSA-N 478.215 3.993 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)C(F)(F)C1 2095742709 YKXFERLJADEPHE-VIFPVBQESA-N 483.954 3.615 50 10 JHGE COCCN1C[C@H](Br)[C@H](Cc2ccc(I)c(Cl)c2)C1 2142938198 XBCKQCCCNAOLMI-NEPJUHHUSA-N 458.565 3.829 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H]2CCN(S(=O)(=O)c3ccc(CBr)cc3)C[C@@H]21 2163056230 PGNZPQVHFPNWMN-WBVHZDCISA-N 459.406 3.602 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164657041 SRRPUINATNYSSR-GAFUQQFSSA-N 450.114 3.775 50 10 JHGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H]1C 2179858904 VSFRJQXOSJLNAU-OAHLLOKOSA-N 455.393 3.924 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179867005 PKHRZFUUZSZPIC-FQEVSTJZSA-N 452.418 3.586 50 10 JHGE COC[C@](C)(CCBr)NC(=O)c1ccc(Cl)c(I)c1 2268348638 XGRYVGVUNDARAL-ZDUSSCGKSA-N 460.537 3.865 50 10 JHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)C(C)(C)CCCl)CC1 2300164747 FIVJMMYTVVNGSU-UHFFFAOYSA-N 462.031 3.958 50 10 JHGE CN(C(=O)OC(C)(C)C)[C@]12CCC[C@H](CN(CCOCCI)C1)C2 2306796374 JUJYJVCZZNJXHM-YJBOKZPZSA-N 452.377 3.550 50 10 JHGE CC(C)(CI)CN1C[C@H](NC(=O)OC(C)(C)C)C[C@]12CCCOC2 2306817486 ZPNDTKVNCOCBBE-KDOFPFPSSA-N 452.377 3.596 50 10 JHGE N#CC(=Cc1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568635 XIIXSMDEWZZRFZ-UHFFFAOYSA-N 460.317 3.713 50 10 JHGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 2313860963 ZHHGRANEVAFRHN-UHFFFAOYSA-N 497.360 3.796 50 10 JHGE CCC[C@](C)(CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316828187 YYYQEGBCWOPXOV-HXUWFJFHSA-N 473.433 3.716 50 10 JHGE Cc1nc2scc(C)n2c1C=NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 2325903835 UANWMCXWHOLKIZ-UHFFFAOYSA-N 462.560 3.601 50 10 JHGE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(CCOCCI)CC2 2326638115 FWIQJUUDLYSKGU-INIZCTEOSA-N 466.404 3.796 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@H]1CCCBr 2338690724 KKCFBFKTJKDQHY-MRVPVSSYSA-N 457.992 3.725 50 10 JHGE Clc1ccc(CN2CCN3C[C@@H](Br)C[C@@H]3C2)c(I)c1 2341052223 SBORZWMXBYSRCW-WCQYABFASA-N 455.565 3.598 50 10 JHGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12503549 YXQMKHVSKUKDOU-PKNBQFBNSA-N 454.895 3.750 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c(C)c1 13980965 SFFNBZCTECFSTF-UHFFFAOYSA-N 457.324 3.824 50 10 JHGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14668222 QMCCREAMXFGGNS-UHFFFAOYSA-N 488.382 3.935 50 10 JHGE CCOc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 34983182 JNZUVPJGKGRRQJ-VEILYXNESA-N 459.502 3.575 50 10 JHGE Cn1nc2c(c1NC(=O)N[C@@H]1CC(C)(C)C[C@@](C)(CN=C=O)C1)CN(C(=O)OC(C)(C)C)CC2 170290787 XSDUOWNAXZQBRJ-GYCJOSAFSA-N 474.606 3.756 50 10 JHGE C[C@@H](CCl)CS(=O)(=O)Nc1cc(I)ccc1Br 304213895 WZAFSHGTRGSINR-ZETCQYMHSA-N 452.539 3.670 50 10 JHGE C[C@@H](CBr)N(C)C(=O)c1ccc(I)c(Br)c1 721581431 XUGAWQJWZBRRGF-ZETCQYMHSA-N 460.935 3.909 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 1084594465 YLVOUWGFJRWYFY-UHFFFAOYSA-N 464.591 3.715 50 10 JHGE CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccc(OCCOc3cccc(Cl)c3)cc2)cc1 1858080680 NDMCJCGBIDAKCX-UHFFFAOYSA-N 489.981 3.805 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683822 IWAPOBYXGPCKCU-NRFANRHFSA-N 467.485 3.875 50 10 JHGE BrCCO[C@@H]1CCCN(c2ncc(I)cc2Br)C1 2069528495 JRRQBRPFHBGJAE-SNVBAGLBSA-N 489.977 3.829 50 10 JHGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1csc(Br)c1Br 2072947331 MWHRKDUARORXHE-HTRCEHHLSA-N 462.001 3.803 50 10 JHGE C[C@H](Cl)[C@H]1CN(C(=O)c2ccc(Br)cc2I)CCO1 2142288209 JARSATTXICQBFN-QPUJVOFHSA-N 458.521 3.522 50 10 JHGE O=C(c1sccc1I)N1CCC(OCCCBr)CC1 2142522464 NEYDRHUQVGOGBN-UHFFFAOYSA-N 458.159 3.759 50 10 JHGE O=C(c1ccccc1I)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2163351970 BUGXZVFXYMLLEU-SCZZXKLOSA-N 462.047 3.937 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C2(CCCCC2)C1 2174371605 PLYBFUWAUUFQOP-SFHVURJKSA-N 497.455 3.668 50 10 JHGE Cc1cccc(C(=O)N2C[C@H](C)O[C@H](CCBr)C2)c1I 2179377561 XJPBXERGNWXDMD-NWDGAFQWSA-N 452.130 3.614 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2179866409 HPDHAISRDLXOFL-MJGOQNOKSA-N 453.402 3.850 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2196938261 ZUXUACAOPUYSAQ-WCBMZHEXSA-N 494.018 3.887 50 10 JHGE Cc1cccc(C(=O)N2CCOC(C)(C)[C@H]2CBr)c1I 2282889345 GMLDDEFLTKNRCJ-GFCCVEGCSA-N 452.130 3.614 50 10 JHGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cncc(CBr)c1 2283298613 JKVSUKOFUZODFS-MOPGFXCFSA-N 453.402 3.981 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2OCC[C@@]2(CBr)C1 2296378137 OMYCSLBIAKYIAL-TZMCWYRMSA-N 467.983 3.838 50 10 JHGE COc1ccc(CNC(=O)C(C#N)=C2NC(=NC(=O)c3ccccc3C)c3ccccc32)cc1 2296532735 RPUJQSJQUDLWKK-UHFFFAOYSA-N 450.498 3.745 50 10 JHGE COC[C@@]1(CBr)C=CCN1C(=O)c1cc(Cl)ccc1I 2379849712 NHJGFZZRVIBENH-AWEZNQCLSA-N 470.532 3.737 50 10 JHGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 10471858 UNZUDSLXELQEAJ-LBPRGKRZSA-N 470.378 3.884 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14644374 NGHDQAGOYJJZAJ-LLVKDONJSA-N 480.746 3.680 50 10 JHGE COCCOc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br 14661416 HUDPOXRHJHGMBB-UHFFFAOYSA-N 485.762 3.585 50 10 JHGE COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 59302773 PUUCIWGGGGEJCM-BRJLIKDPSA-N 455.898 3.983 50 10 JHGE CCOC(=O)[C@@H](Br)Cc1ccc(I)c(Br)c1 300908891 PYSVRBRDHNANPU-VIFPVBQESA-N 461.919 3.923 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2cc(-n3cccc3)ccc2F)cc1 1115974979 GNQSMFLPCDDBCT-XMHGGMMESA-N 498.518 3.910 50 10 JHGE C/C(=C/C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(F)c1 1539096983 YNIPFMKHIRZTEJ-OWBHPGMISA-N 459.524 3.553 50 10 JHGE C=C(C)Cn1c(SCC(=O)NNC(=S)Nc2ccc(C)cc2C)nnc1-c1ccco1 1628555665 REOVXYTYPMEPAZ-UHFFFAOYSA-N 456.597 3.841 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3cccc(Cl)c3)c(=O)c2c1-c1ccccc1 1860769950 MUGUNFQNDNOQCI-UHFFFAOYSA-N 452.923 3.548 50 10 JHGE CCCOc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771114 KFKAINTYJKCHCU-OKYZRPEMSA-N 494.617 3.793 50 10 JHGE COc1nc(-n2c(C)nc(I)c2I)c(CCl)s1 1941552506 LIEHKJVQKNVPNQ-UHFFFAOYSA-N 495.511 3.594 50 10 JHGE Cc1cc(-n2c(C)nc(I)c2I)ncc1CCl 1946529783 GKPTUMGPUBIARM-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC(F)(CBr)C2)cc1Br 2116278472 HDADUOQUXAMMJK-UHFFFAOYSA-N 479.991 3.628 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CC(OCCCBr)C1 2141949324 KRRVWCFARSBUIS-UHFFFAOYSA-N 455.972 3.838 50 10 JHGE COC1CC(CCl)(NC(=O)c2ccc(Br)cc2I)C1 2142283564 RJXPKOCTNRIHSO-UHFFFAOYSA-N 458.521 3.570 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@@H]2CCO[C@]2(CBr)C1 2239895049 OHAXOICXADDKMX-LKFCYVNXSA-N 467.983 3.838 50 10 JHGE BrC[C@@H]1CO[C@@H]2CN(Cc3c(Br)cccc3Br)C[C@H]2O1 2279862808 OEJRDWNSSRKBQW-OWYVNGRQSA-N 469.999 3.575 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCC#N 2313567891 OYUMESRRJPUCPR-UHFFFAOYSA-N 481.350 3.616 50 10 JHGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2321988199 QZKJXAQHMOKEPW-YCRPNKLZSA-N 493.692 3.582 50 10 JHGE O=C(c1cc(I)sn1)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2344150625 SODRAHNHMASDPG-YLWLKBPMSA-N 469.064 3.678 50 10 JHGE CC(C)[C@@H]1C[C@](C(=O)O)(N(C)C[C@H]2C[C@H](Br)C2)CN1C(=O)OCc1ccccc1 2351124857 NLKULGJOVPGTRD-OZIGNCPNSA-N 467.404 3.982 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@]1(CCl)C[C@H]2CC[C@H]1C2 2364206979 XMRVYLXQZHAZTK-HOIFWPIMSA-N 453.004 3.560 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc(C)c1Cl 12489792 CWSBMDQXWIQLFP-UHFFFAOYSA-N 469.763 3.941 50 10 JHGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041124 NZXOXFITMNHCJQ-UHFFFAOYSA-N 493.585 3.883 50 10 JHGE Cc1cccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1 14654230 RZMJUUICVSJICG-UHFFFAOYSA-N 464.385 3.742 50 10 JHGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14664813 HZXZUNMNAHICCY-INIZCTEOSA-N 451.548 3.730 50 10 JHGE Cn1cc(Br)cc1C(=O)NNC(=O)c1cccnc1SCc1ccc(F)cc1 107787015 BJZAQUUTHZIDSS-UHFFFAOYSA-N 463.332 3.689 50 10 JHGE CC(CBr)(CBr)NC(=O)c1ccccc1I 129476971 PAUCIOGFSHOZPG-UHFFFAOYSA-N 460.935 3.570 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 217048510 MSGAAADUASXSNL-FXBPSFAMSA-N 466.607 3.779 50 10 JHGE C[C@@H](NC(=O)/C(C#N)=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)C12CC3CC(CC(C3)C1)C2 217056869 ZWNAKJWWCUGGCV-WERIZWOISA-N 476.621 3.661 50 10 JHGE O=C1NCCOc2ccc([C@H](Br)c3ccc(I)cc3)cc21 228234183 ZGKZBKVZUXKARI-OAHLLOKOSA-N 458.093 3.898 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCC(OCCBr)CC1 232349612 DROZQECCSSYPGC-UHFFFAOYSA-N 472.548 3.961 50 10 JHGE Cc1cccc(OCC(=O)NN=C2C(=O)N(CCOc3ccc(Cl)cc3)c3ccccc32)c1 254379939 ARNBDNWQNKZZAJ-UHFFFAOYSA-N 463.921 3.973 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1 254715104 LPESJZFJLDZXFJ-UHFFFAOYSA-N 463.446 3.660 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2CC)c(O)c1 254838124 FQIWQFCPWPFLOL-UHFFFAOYSA-N 452.584 3.759 50 10 JHGE CC(=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccccc1O 1084485861 JQELPRQOPZSTLM-UHFFFAOYSA-N 451.548 3.745 50 10 JHGE CSc1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1084563219 ATABZYRNNZEWRD-UHFFFAOYSA-N 452.001 3.613 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc(Br)c1O 1865689616 UJYHBXAYCKJVDJ-INIZCTEOSA-N 453.296 3.782 50 10 JHGE CC(C)[C@H](C(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866976750 GWSFLOAXKVIQBX-OALUTQOASA-N 476.396 3.878 50 10 JHGE Cc1cc(CCl)nc(-n2cnc(I)c2I)c1 1935736031 YEVQNMNNIJPWMM-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE CCS(=O)(=O)COc1c(Br)cc(CBr)cc1Br 1999959673 WXOHSYSKQKTPDR-UHFFFAOYSA-N 450.974 3.878 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179955097 VKDHDWJVGPGIPE-SFHVURJKSA-N 465.404 3.725 50 10 JHGE CCC[C@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@H]1CBr 2205700457 ALCGGAZQYCVBNF-NWDGAFQWSA-N 452.130 3.880 50 10 JHGE COc1cc(CCl)cc(-n2c(C)nc(I)c2I)n1 2263660347 MHRCBDPWPSCEFH-UHFFFAOYSA-N 489.482 3.532 50 10 JHGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1cccc(Cl)c1Cl 2318455475 USKUBYIKJLFFCY-UHFFFAOYSA-N 459.333 3.886 50 10 JHGE COc1cc(Br)cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1O 2328827805 OAZSKSZDQYAZJR-KRWDZBQOSA-N 492.370 3.749 50 10 JHGE Clc1ccc(CN2CCCN(CCBr)CC2)cc1I 2337221857 UOGGDAFLEDDBGZ-UHFFFAOYSA-N 457.581 3.847 50 10 JHGE C[C@H](Br)C[C@H]1CCCN1C(=O)c1c(Br)c(Br)nn1C 2338675003 TXQKASYPQGMLAS-JGVFFNPUSA-N 457.992 3.723 50 10 JHGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)c1C#N 2161652 XPUQJOABZYGLNN-UHFFFAOYSA-N 496.907 3.637 50 10 JHGE CC1(NC(=O)CBr)CCC(C(C)(C)NC[C@@H](O)COc2cccc3[nH]ccc23)CC1 3800350 XSAGAZCYTLNCEN-WCCYLALTSA-N 480.447 3.736 50 10 JHGE CCOC(=O)Cc1cs/c(=N\C(=O)/C(C#N)=C/c2ccccc2)n1C(=O)/C(C#N)=C/c1ccccc1 12601703 MZMZULLIFGTMEV-ZJTPLJIKSA-N 496.548 3.937 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14658837 XPVFLTYISHHHAG-UHFFFAOYSA-N 492.370 3.815 50 10 JHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1Br 14660358 OMVTUQFVLJLPSX-UHFFFAOYSA-N 464.385 3.505 50 10 JHGE Cc1c(C(=O)NNC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)oc2ccccc12 16496455 UHAYPWJLQKIDSG-UHFFFAOYSA-N 470.407 3.689 50 10 JHGE COc1ccc(OC)c(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 33343500 UAHFIGKBEFUNEC-RPPGKUMJSA-N 462.531 3.601 50 10 JHGE Cc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 33382415 SWCAXEIBZNRIQY-WJDWOHSUSA-N 472.570 3.905 50 10 JHGE Nc1c(NNC(=O)c2ccccc2Cl)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 101568592 JQNTWJOEOLKVTH-UHFFFAOYSA-N 487.951 3.744 50 10 JHGE N#C/C(=C/c1c[nH]nc1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 102330284 BKEJSTKXPCOMCV-VBKFSLOCSA-N 476.543 3.880 50 10 JHGE CCn1nc(C(=O)NNC(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2c1=O 207047001 JNZDTFRCWURNAK-NTMALXAHSA-N 464.831 3.563 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC[C@H](Br)C1 232470085 BSOYIDSKPKFZMP-QMMMGPOBSA-N 458.919 3.663 50 10 JHGE Cn1cc(CC(CBr)(CBr)c2cccc(Br)c2)nn1 236112924 CEHUILWNKWIFAF-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1OC 254756652 YTKBKBSIYDHXIC-UHFFFAOYSA-N 488.569 3.954 50 10 JHGE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(CCC(C)C)c2C)c1 855734622 BGEPWVONIOZRFE-CVHFWEDTSA-N 464.566 3.988 50 10 JHGE CC(=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1C[C@@H]1c1ccccc1Cl 920362014 HEMLGOXWZLGPNM-FCHUYYIVSA-N 490.025 3.589 50 10 JHGE O=C(NN=Cc1ccc(O)cc1O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 1083948704 FUTQHXUFOPCYHX-UHFFFAOYSA-N 454.280 3.877 50 10 JHGE O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Br)c1 1083966466 UULSOEGLFPLPKQ-UHFFFAOYSA-N 457.240 3.706 50 10 JHGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1Cl 1084001134 GOJDFUYXLIAHBI-UHFFFAOYSA-N 494.935 3.763 50 10 JHGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCC#N 1084165062 LRRHSQZYMCTHRN-GOSISDBHSA-N 460.328 3.714 50 10 JHGE COC(=O)COc1cc(Br)c(C=NNC(=O)c2cc3ccccc3o2)cc1OC 1084344440 AKZKXRYTMYNWEW-UHFFFAOYSA-N 461.268 3.520 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2c[nH]c3ccccc23)nnc1-c1ccc(Br)cc1 1084630179 VOZWYVORAUHXKK-UHFFFAOYSA-N 498.410 3.925 50 10 JHGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(CCOC)n2)C[C@H]1C 1868253662 PMMXIVXUNXNIHT-KDURUIRLSA-N 470.643 3.918 50 10 JHGE CN(C)S(=O)(=O)C[C@@H](Br)c1cc(Br)sc1Br 1936582099 GYCXVZJNIAAGIJ-ZCFIWIBFSA-N 456.019 3.601 50 10 JHGE O=C(N[C@H](CCl)C(F)(F)F)c1ccc(I)c(Br)c1 2030005066 NLBWCTDJHLRYJZ-MRVPVSSYSA-N 456.427 3.953 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1cc(Br)ccc1Br 2097945426 KOWJAVLSTASSHC-NXEZZACHSA-N 455.972 3.884 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCC[C@@H]1CCCBr 2141711457 KRFMOOIMFFQVOS-QGZVFWFLSA-N 485.444 3.812 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(CC2(CBr)CCOCC2)C[C@H]1C(F)(F)F 2163058332 JSQDMIOPNFJFKF-UONOGXRCSA-N 459.347 3.813 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)cc(F)c2F)CCN1Cc1ccccc1 2179860042 MLJDEFRWFHHSKR-AWEZNQCLSA-N 459.356 3.755 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](OCCCCl)C1 2207030791 BGFKBDLBEIRNIH-LLVKDONJSA-N 472.548 3.914 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CCCBr)C1 2225817369 PTTOUAXZSPAAJR-INIZCTEOSA-N 485.444 3.526 50 10 JHGE N#CC(=CNC[C@H]1COc2ccccc2O1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609736 VQNPIEJSPFCNRW-SANMLTNESA-N 494.595 3.757 50 10 JHGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 2331281278 DBGZKRPBYSLUIT-UHFFFAOYSA-N 456.505 3.798 50 10 JHGE CC[C@@H]1[C@H](CBr)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338839378 AREZTOMNYRIUOC-QFBILLFUSA-N 485.444 3.668 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCC[C@@H](CBr)C1 2338862298 WPSZYSPPFXSFIW-SFYZADRCSA-N 457.992 3.629 50 10 JHGE Clc1ccc(I)cc1CN1C[C@@H]2COC[C@@]2(CBr)C1 2352431878 MERWWAULXQFYRV-BXUZGUMPSA-N 456.549 3.788 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(S(=O)(=O)[C@@H]1CC[C@H](CBr)C1)C2 2355845573 QHBZAUXPVOEVQR-WOZUAGRISA-N 455.462 3.724 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c(C)c1 14644177 PGKGQMLLWNWDID-CYBMUJFWSA-N 455.736 3.713 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1Br 14652936 RWNIGAMWGFWMCV-UHFFFAOYSA-N 455.736 3.977 50 10 JHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)C2CCCCC2)cc1Br 14654297 XHMNPLGXYWEBFR-UHFFFAOYSA-N 456.406 3.700 50 10 JHGE COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 35550854 XYVPHXAXGBMCNC-UHFFFAOYSA-N 458.268 3.523 50 10 JHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(NC(C)=O)cc2)cc1 254507111 YKLYFUKJIIQWCW-ITWYKHGOSA-N 456.502 3.575 50 10 JHGE COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc(OC)c1OC 1082753794 LKDXVSYWACPZRI-UHFFFAOYSA-N 478.461 3.637 50 10 JHGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 1084220051 FNCUARQYAHQGBM-UHFFFAOYSA-N 465.575 3.799 50 10 JHGE O=C(CCC(=O)Nc1ccc(F)cc1)NN=Cc1cc(Br)cc(Br)c1O 1084361159 KPIWQHLWSXMNAG-UHFFFAOYSA-N 487.123 3.925 50 10 JHGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(OC)c(OC)cc1OC 1865712378 WWOORLWFKDVBAN-NRFANRHFSA-N 462.506 3.823 50 10 JHGE COc1cc(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OC 1873795087 RDBNZQULHFWVEN-URMYYVDKSA-N 472.380 3.856 50 10 JHGE CC1(C)CC[C@H](Cl)[C@@H](CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1927055256 ABKQUCMKKALUNW-QAPCUYQASA-N 455.020 3.662 50 10 JHGE CCCCCC[C@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(OC)C4=C[C@@H]1[C@H](O)C(=O)CCCC)C(=O)OC3=O 2080449657 PEDOLCOCDBKJNH-BCOBDQALSA-N 488.577 3.555 50 10 JHGE CCOC1(CCl)CN(C(=O)c2cc(I)ccc2Br)C1 2116388615 NOJVTTHZBDKBFL-UHFFFAOYSA-N 458.521 3.524 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cnsc2Br)C1 2119234685 SKARUWURVVYQHX-SECBINFHSA-N 496.084 3.659 50 10 JHGE O=C(NC[C@]1(F)CC[C@H](CBr)CC1)c1cc(I)sn1 2122080067 UBPNVQBIHWZLHI-ITWVYHRLSA-N 461.138 3.771 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Cl)C[C@H]21 2167011673 OUNGPNAPWWKFFM-GPMSIDNRSA-N 453.004 3.511 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(CBr)cc1 2174294636 VCPSZJWWHGWSKY-ZMSDIMECSA-N 459.406 3.648 50 10 JHGE C=CC[C@@]1(CBr)CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2272232722 UTWNTMQIUPBEST-NRFANRHFSA-N 483.428 3.588 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)CCO1 2295312507 YHFPMDMGMLKBMJ-ZANVPECISA-N 469.999 3.765 50 10 JHGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)c1C 2297538757 XITOVUXWCXPMOY-UHFFFAOYSA-N 453.583 3.534 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(Cl)ccc2Cl)c(OC)c1 2314737354 AVEPMFZLKKGNBB-UHFFFAOYSA-N 479.316 3.656 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)C[C@@H](Br)C(F)(F)F 2316897478 TXSUVOLAWKFOJF-ZCFIWIBFSA-N 457.914 3.703 50 10 JHGE C[C@H]1CC[C@H](CBr)CN1C(=O)c1c(Br)c(Br)nn1C 2338675060 UQZJOWFJJCLDHY-JGVFFNPUSA-N 457.992 3.581 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCl)[C@@H]1CC=CCC1 2364213597 HVVUEFOSKGBLEY-YLJYHZDGSA-N 453.004 3.726 50 10 JHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccccc2)cc1Br 14645992 QYBCBVAVKCPDMD-UHFFFAOYSA-N 478.412 3.752 50 10 JHGE CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 15092763 WTKVIOXLIFXOJS-UHFFFAOYSA-N 496.976 3.732 50 10 JHGE C=CCc1cccc(/C=N/NC(=O)[C@H](C)Nc2ccc(I)c(C)c2)c1O 20352485 GQBFZWXIOPFPSH-OFJBCHTGSA-N 463.319 3.984 50 10 JHGE CC1(C)CC(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2N)CC(C)(C)N1 40760821 MASXVEWRDISDJJ-UHFFFAOYSA-N 452.390 3.844 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC(=O)O 58891968 CJIVUTQWNCPHRR-RIMPEIONSA-N 475.339 3.605 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 59676523 KFZAEMMXOATYPB-GHRIWEEISA-N 473.314 3.556 50 10 JHGE CCOC(=O)[C@@H]1CCCN(/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 216496748 UCUZDWVYTVELJF-SNCOZNQQSA-N 486.616 3.603 50 10 JHGE CCn1c(SCC(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 263632091 BRHAHRWMYXBSMZ-IEXUTCFFSA-N 466.523 3.789 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2cc(Br)c(Br)s2)C1 386894633 YELCPPZHSHWBHU-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE O=C(Cn1ncc2ccccc21)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 730448605 PGWCBAVMRFGATP-UHFFFAOYSA-N 475.508 3.811 50 10 JHGE COc1ccccc1-c1nc(CC(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866669451 GCSCEALNGOAZPY-CQSZACIVSA-N 450.520 3.918 50 10 JHGE O=C(NCCOCCOCCOCCBr)OCC1c2ccccc2-c2ccccc21 2060015121 KWZWVADLJIGVLS-UHFFFAOYSA-N 478.383 3.970 50 10 JHGE O=[N+]([O-])c1cc(I)cc(CBr)c1I 2060225544 FTQWDJFTEISVFG-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE O=C(NCc1nnc(CBr)s1)c1scc(Br)c1Br 2072472798 DYNZCKPMQLTMDI-UHFFFAOYSA-N 476.013 3.950 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1c(Br)cccc1Br 2097943584 XVUITRYZAZZLSC-DTWKUNHWSA-N 455.972 3.884 50 10 JHGE C[C@@](CBr)(NS(=O)(=O)c1cc(Br)ccc1Br)C(F)F 2105087881 DQBQMDJHNPMPPI-JTQLQIEISA-N 485.970 3.909 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(CCBr)s1 2123242489 XEMGTSUSXDLKBN-MRXNPFEDSA-N 457.459 3.971 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@H]2CCC[C@]2(CBr)C1 2159408480 LNDIULCGHNRWFT-BMIGLBTASA-N 450.114 3.634 50 10 JHGE C[P@@]1(=O)C[C@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)[C@@H](Br)C1 2177853088 ZBFOINSBOMQUAE-KKRWKGTOSA-N 465.531 3.519 50 10 JHGE CC(C)[C@@H]1C[C@](NC[C@H]2C[C@@H](Br)C2)(C(=O)O)CN1C(=O)OCc1ccccc1 2324779239 JLXYZKVPKMXLOZ-TWFHAPMSSA-N 453.377 3.640 50 10 JHGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)NC(c1ccccc1)c1ccccc1 2324837660 PDTYFJBIGMYDDQ-UHFFFAOYSA-N 480.568 3.846 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(O)c(Br)c1 2328827658 UJGWKQWFAZIZDT-KRWDZBQOSA-N 462.344 3.741 50 10 JHGE Clc1ccc(CN2CCN3C[C@H](Br)C[C@@H]3C2)c(I)c1 2341052221 SBORZWMXBYSRCW-DGCLKSJQSA-N 455.565 3.598 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2365597183 CZZYQRUWSVMRCG-ZWKOPEQDSA-N 470.532 3.712 50 10 JHGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1 10670912 BFRSWSQCPWSQSS-LBPRGKRZSA-N 470.378 3.885 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)c(C)c1 14039478 AIQALXVIWBODGL-UHFFFAOYSA-N 475.545 3.941 50 10 JHGE CCNC(=O)/C(C#N)=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O 34687405 JXKHEYBHLMNXDV-QJOMJCCJSA-N 463.541 3.944 50 10 JHGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 38655045 SJWABAFJCAZUJI-DEOSSOPVSA-N 457.442 3.970 50 10 JHGE Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 59104751 JMQVKWFXBIJQPU-STBIYBPSSA-N 483.572 3.672 50 10 JHGE COc1cc(OC)c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 59676542 NFMIXTYSNRFGPM-SFQUDFHCSA-N 456.340 3.722 50 10 JHGE COc1c(Br)cc(/C=N\NC(=O)c2ccccc2N)c(OC)c1Br 169893988 BGWIDNQCCTVFII-ZBKNUEDVSA-N 457.122 3.575 50 10 JHGE CCN1C(=O)C(=NNC(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n23)c2ccccc21 254821440 NOVVKTIZDJMDRD-UHFFFAOYSA-N 462.513 3.994 50 10 JHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(F)cc3)cc2)cc1OC 254840412 CXBFIJZRFHSODF-UHFFFAOYSA-N 452.438 3.591 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc(OC(C)C)cc2)cc1 920850917 FQLXKEANFVIXFW-RGEXLXHISA-N 473.533 3.767 50 10 JHGE C=C[C@@H](CC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1 1135581986 KZZBUZGLVQIGEQ-FQEVSTJZSA-N 452.514 3.566 50 10 JHGE C=C[C@@](C)(CCOC)C(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 1135584643 FHODQNIRZXRNND-MHZLTWQESA-N 457.530 3.990 50 10 JHGE C#CC[C@]1(C(=O)NNc2cc(OC)ccc2Br)CCCN1C(=O)OC(C)(C)C 1557047949 LRJBHEVRFWUMNV-HXUWFJFHSA-N 452.349 3.694 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)C(=O)c1cc(Br)ccc1I 1910149657 SSNIXMMDXITZST-OIBJUYFYSA-N 472.946 3.909 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2ccc(I)c(Br)c2)[C@@H]1Cl 1911076530 WETOZDAIUSCZBT-MNOVXSKESA-N 458.521 3.568 50 10 JHGE COC[C@](C)(CCl)CNC(=O)c1cc(I)ccc1Br 1926962871 BWIOVBKQVHIPAX-CYBMUJFWSA-N 460.537 3.675 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2csc(Br)c2Br)C[C@H]1Br 2067190859 HQZWXOIXQIQSQK-LPBLVHEISA-N 462.001 3.944 50 10 JHGE CN([C@@H]1CCCCC[C@@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2115917535 GMTZGDLPJMZAAL-RBUKOAKNSA-N 485.444 3.811 50 10 JHGE O=S(=O)(c1csc(CBr)c1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2123229474 KKGBEQDWONXLSF-SJORKVTESA-N 455.443 3.786 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCCC12CCC(Br)CC2 2137572323 RMJMRCVIZVRPRN-UHFFFAOYSA-N 483.428 3.565 50 10 JHGE O=C(N[C@@H]1C(F)(F)C12CC(NC(=O)N1CCC(Br)CC1)C2)OCc1ccccc1 2142153761 VNUAKBHBVNUVMV-WUJZJPHMSA-N 472.330 3.648 50 10 JHGE O=S1(=O)CC[C@@H](CC(CBr)(CBr)c2cccc(Br)c2)N1 2146190238 GDKQBFOHZQEOOU-LBPRGKRZSA-N 490.055 3.559 50 10 JHGE O=C(N[C@@H](CCl)C[C@H]1CCCO1)c1ccc(Br)cc1I 2207267645 MZNUVCVCAPPNQM-GHMZBOCLSA-N 472.548 3.960 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2233853901 PCOUZYJUGYARCM-FUHIMQAGSA-N 497.455 3.668 50 10 JHGE COC[C@@](C)(CCBr)NC(=O)c1ccc(Cl)c(I)c1 2268348636 XGRYVGVUNDARAL-CYBMUJFWSA-N 460.537 3.865 50 10 JHGE CCOc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)cc1 2297461851 FKDUERMTYGPIEX-UHFFFAOYSA-N 469.548 3.542 50 10 JHGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2313567423 HBMORCHEOLSIGR-UHFFFAOYSA-N 460.284 3.940 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 2313864553 UHQHQJGAWVGAMY-UHFFFAOYSA-N 458.971 3.674 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1C[C@@H](CBr)C12CCC2 2379722323 VGIUSSFDFLUCMR-QFBILLFUSA-N 497.455 3.716 50 10 JHGE CC(=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1 1200520 DPGHUJMNXSIJHD-UHFFFAOYSA-N 455.436 3.964 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc(C)c1Cl 13979779 PIOGRUFEBVWUPT-UHFFFAOYSA-N 476.154 3.978 50 10 JHGE CC(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 13980020 LKPJKOIHTRRNRA-UHFFFAOYSA-N 455.736 3.831 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1OC 14653085 LDRYLSWIVOVQFO-UHFFFAOYSA-N 451.317 3.576 50 10 JHGE O=C(NN=Cc1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1cncc(Br)c1 15987773 LMIMLMMOZBGBJH-UHFFFAOYSA-N 468.263 3.556 50 10 JHGE aggregator COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccccc1)CCC2 40816107 HHBQTVFGWJKDFN-VFCFBJKWSA-N 475.501 3.863 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1cccc(I)c1 100449459 DNIZWRWOWLONTG-ZDUSSCGKSA-N 452.292 3.645 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594704 CZHUXUOTQYHRDO-KOEQRZSOSA-N 468.897 3.688 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OC)cc3)cc2OC)cc1 254386607 VKSKSQRQPFMIBI-UHFFFAOYSA-N 478.501 3.851 50 10 JHGE CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NN=C2C[C@H]3CC[C@@]2(C)C3(C)C)c1 254488065 OLPBZCWZLOVCDB-IQMFZBJNSA-N 498.045 3.846 50 10 JHGE O=C(CCBr)c1cccc(I)c1I 307491105 HCOOZYSIQBTWEE-UHFFFAOYSA-N 464.866 3.864 50 10 JHGE CCOC(=O)C1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 825218300 GKIDVPIQLKZONA-RGEXLXHISA-N 465.941 3.826 50 10 JHGE CN(C)[C@@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 917937098 BYMUZUSHMJMGGH-IVNHJSRESA-N 452.562 3.660 50 10 JHGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)cc1 1084026491 OXELZOOKJTYMEV-SFHVURJKSA-N 477.373 3.723 50 10 JHGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 1084281822 RVGOQSJKYDMXTQ-UHFFFAOYSA-N 463.559 3.905 50 10 JHGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1 1084315593 HZFIWRFCRBOXGA-UHFFFAOYSA-N 481.574 3.828 50 10 JHGE CC[C@@H](Br)CN(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 1915083994 RWGHFUFJBFUKEL-MRXNPFEDSA-N 474.442 3.674 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc(I)cc1C[C@H](O)CBr 1952368902 FCVYLWCMMFLDGV-NSHDSACASA-N 456.118 3.937 50 10 JHGE CC(C)(C)OC(=O)NC1(C(=O)NCC2CC(Br)C2)CCN(Cc2ccccc2)CC1 1991445664 UFQXZWGXQNBNGS-UHFFFAOYSA-N 480.447 3.836 50 10 JHGE N#CC(=Cc1ccccc1)C(=O)NC1=C(c2nc3ccccc3s2)C(=O)CN1C[C@@H]1CCCO1 2085243570 OBWQRMPWEOQXTE-IBGZPJMESA-N 470.554 3.752 50 10 JHGE O=C(NC1CC2(C1)CN(S(=O)(=O)c1ccc(CBr)cc1)C2)OCc1ccccc1 2106770666 AXZWOKFEBGBFAC-UHFFFAOYSA-N 479.396 3.661 50 10 JHGE CN(C(=O)c1cc(I)sn1)C1(CBr)CC2(CCC2)C1 2120033384 SJACEARSSVXRAL-UHFFFAOYSA-N 455.159 3.918 50 10 JHGE C[P@]1(=O)C[C@@H](Cl)[C@H](NC(=O)c2ccc(I)c(Br)c2)C1 2121335665 BFTUMROZDSICPY-UYKLKCEZSA-N 476.476 3.766 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CC(OCCCBr)C1 2141975909 KYSQWAKXODTWOS-UHFFFAOYSA-N 455.972 3.838 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H](CCCl)O1 2179373929 IOFUBTFSJJLCAO-MWLCHTKSSA-N 472.548 3.912 50 10 JHGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)N1CCCC[C@H]1CBr 2179820370 XKSDUMOATFMAFH-IPMKNSEASA-N 459.450 3.796 50 10 JHGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O 2296543679 XMVQURCTGOVJQS-UHFFFAOYSA-N 460.534 3.862 50 10 JHGE CCCn1c(C)cc(C=C(C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C 2297356586 APXZDUSBTCHUKI-HXUWFJFHSA-N 489.576 3.790 50 10 JHGE C[C@H]([C@H](Br)c1ccc(Cl)cc1I)S(=O)(=O)N(C)C 2317778790 QCVPPSGSRUWOSA-HQJQHLMTSA-N 466.566 3.661 50 10 JHGE C[C@H](CBr)N1CCN(Cc2ccc(Cl)c(I)c2)CC1 2337229754 LNAMUZYOCLWZEO-LLVKDONJSA-N 457.581 3.846 50 10 JHGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1c(Br)c(Br)nn1C 2364230230 JUVBYQRLXUBYAD-RKDXNWHRSA-N 472.019 3.971 50 10 JHGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O 1064049 BJVLGEXTUSMXMA-CYBMUJFWSA-N 481.302 3.937 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 13976603 JLSAHIRYTDOTOY-CXUHLZMHSA-N 488.569 3.605 50 10 JHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1Br 14660380 JAOOSEFGBWYZQF-UHFFFAOYSA-N 470.776 3.839 50 10 JHGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccc(F)cc2)n[nH]1)C12CC3CC(CC(C3)C1)C2 20923806 WSMPVABOEMVGKA-LGJNPRDNSA-N 485.589 3.501 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811745 FKSXLAHSNVVLED-OVVQPSECSA-N 498.381 3.838 50 10 JHGE CCCCCn1nc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c2ccccc2c1=O 107918016 XPODCRNIHRGNCA-IRXDYDNUSA-N 452.477 3.716 50 10 JHGE COc1cc(/C=N\NC(=O)c2cccn(C(C)C)c2=O)cc(Br)c1OC(C)C 169919388 KGTMAJCYDVPGCL-JJFYIABZSA-N 450.333 3.751 50 10 JHGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(O)ccc2O)C1 382727454 RJYCRZXTMUIJGO-RHSMWYFYSA-N 453.276 3.885 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCOC[C@H]1CCBr 694879760 KQJFOYBTYYIBIK-SNVBAGLBSA-N 455.972 3.838 50 10 JHGE O=C(N[C@H]1CCCN(CCBr)C1)c1scc(Br)c1Br 705425333 KIMGWJCFENWUBL-QMMMGPOBSA-N 475.044 3.862 50 10 JHGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)c1 725427870 YCXLRODLZWUUIR-UHFFFAOYSA-N 454.914 3.854 50 10 JHGE O=C(NNc1ccnc2cc(Cl)ccc12)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 729514879 OQCOKNZGNOUESS-UHFFFAOYSA-N 459.890 3.913 50 10 JHGE COC(=O)[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 818025827 IBVQSMRNTIUOER-FIWMFUAISA-N 487.947 3.925 50 10 JHGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)cc1 1083907570 LUQLNWYRLLFVRO-FQEVSTJZSA-N 482.606 3.716 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1)NC[C@@H]1CCCO1 1083913559 TYGYYQGXBIPXKW-VWLOTQADSA-N 471.557 3.643 50 10 JHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1978677855 QILJSQOZKBNAIW-XUZZJYLKSA-N 493.000 3.860 50 10 JHGE C[C@](CBr)(NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2145935432 ATCHQCVUBRPJGA-JOCHJYFZSA-N 493.423 3.683 50 10 JHGE CCCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 2163056716 VBWSEBTYQDGVPH-INIZCTEOSA-N 461.422 3.992 50 10 JHGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cc(CBr)ccc1F 2179786956 IAPKBPNQDZZFGS-UHFFFAOYSA-N 452.349 3.786 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@@H]1C1CC1 2196364533 ORJXSBRSUZIDPE-IRXDYDNUSA-N 459.406 3.648 50 10 JHGE CO[C@@H]1CN(C(=O)c2cc(Br)sc2Br)[C@@H](CBr)[C@H]1OC 2233356431 PSNNDGBRWZRHFG-QXFUBDJGSA-N 492.027 3.522 50 10 JHGE CCOc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 2295482909 ACMIXYWRFKPPBZ-UHFFFAOYSA-N 457.486 3.735 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)CC(C)(C)CI 2306810936 YPEYIEGBLJZQGN-UHFFFAOYSA-N 478.998 3.838 50 10 JHGE COc1ccc(C=C(C#N)C(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 2329701248 DTGHSCGAQFNEOK-VWLOTQADSA-N 476.554 3.942 50 10 JHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)cc(C)c2)cc1 14029063 MNQAUDCQJCFPRJ-UHFFFAOYSA-N 457.596 3.977 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC)cc2)cc1 14031324 PCSFAGHAOHJODQ-UHFFFAOYSA-N 456.568 3.553 50 10 JHGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 14038839 WCOUAAZEOXVDLI-UHFFFAOYSA-N 486.160 3.839 50 10 JHGE Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NNC(=O)c4cn(C)c5ccccc45)cc3C2=O)c1 15823659 GAUCFHRZPWTPFM-UHFFFAOYSA-N 466.497 3.671 50 10 JHGE CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2cccc(OC)c2)ccc1OC 20438268 QQQZJYUVUFQYCA-HOYKHHGWSA-N 452.532 3.746 50 10 JHGE O=C(CCl)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 35925487 GRIFGEUNYUPSDD-UHFFFAOYSA-N 460.969 3.684 50 10 JHGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38688736 ZBAMOKOOHLNHGM-LOSJGSFVSA-N 486.480 3.667 50 10 JHGE Cc1cc(C)cc(OCC(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)c1 59167181 UGXBPYPQYKOEHZ-SOYKGTTHSA-N 458.474 3.658 50 10 JHGE O=C(CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)NNC(=O)C1CCC1 59878202 RVADYTZLEYGAJC-UHFFFAOYSA-N 471.970 3.539 50 10 JHGE COc1ccc(NC(=S)N[C@@H](NC(=O)C(Cl)Cl)C(Cl)(Cl)Cl)cc1OC 101117892 JAPYVNGAEBUZTM-LLVKDONJSA-N 469.605 3.606 50 10 JHGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1 254647192 VTIZAYMBDAOJCY-KLZGFALBSA-N 457.490 3.582 50 10 JHGE O=C1[C@@H](Br)CCCN1c1cc(Br)ccc1I 300889689 DFFMIVRUVVRZLL-QMMMGPOBSA-N 458.919 3.944 50 10 JHGE CC(C)(CNC(=O)c1cc(I)ccc1Br)OCCCl 312027075 WOXPESCWXMXUNN-UHFFFAOYSA-N 460.537 3.818 50 10 JHGE CO[C@@]1(CCl)CCCN(C(=O)c2cc(Br)ccc2I)C1 401539156 LYCFEFYNWCMKKI-CQSZACIVSA-N 472.548 3.914 50 10 JHGE O=C(NCC1(CCl)CCOCC1)c1cc(I)ccc1Br 700890458 NREYVBPBSZSGOA-UHFFFAOYSA-N 472.548 3.819 50 10 JHGE CC(C)c1ccc([C@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2cccs2)cc1 913627818 AOGIAGURFDNFEW-NRFANRHFSA-N 461.551 3.581 50 10 JHGE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccc(CBr)cc1 1260505819 QZFDJVYQYQZTPN-GOEBONIOSA-N 461.422 3.895 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccc(Cl)cc1F 1686922172 BVLHYEABCOJFEF-AWEZNQCLSA-N 455.273 3.860 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc(OC)c1O 1865714419 JVIWNMJXXVTXJK-LJQANCHMSA-N 483.322 3.884 50 10 JHGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N(CCCS(=O)(=O)O)C1CCCCC1 1866368269 YRZZYCUPGGXAKS-DTQAZKPQSA-N 455.374 3.795 50 10 JHGE O=C(NC[C@@]1(CBr)CCCO1)c1ccc(Br)cc1Br 1879605060 OJEHANQZMKENNR-ZDUSSCGKSA-N 455.972 3.886 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCN2C[C@H](Br)C[C@H]2C1 2148751887 RSPYRMJQGBGOIJ-ZJUUUORDSA-N 466.999 3.505 50 10 JHGE COc1cc(NS(=O)(=O)N2CCC(Br)CC2)ccc1NC(=O)OC(C)(C)C 2162588696 ITSARIRLPJEBLQ-UHFFFAOYSA-N 464.382 3.558 50 10 JHGE FC(F)(F)c1cnc(N2CC[C@@H](OCCBr)C2)c(I)c1 2165427952 VSGXCGMKZSOMJS-SECBINFHSA-N 465.051 3.695 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H](CCBr)O1 2179375971 RKDGDDRKWLODLM-MWLCHTKSSA-N 472.548 3.959 50 10 JHGE CN(C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1c[nH]c(CBr)c1 2179866498 IXNKYFWRVZSGGQ-DFNIBXOVSA-N 452.418 3.726 50 10 JHGE COCCCNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(Cl)cc3)cc2oc1=O 2293202165 MOMBWFFXYMHWQB-UHFFFAOYSA-N 466.877 3.725 50 10 JHGE Cc1ccc(-c2no[nH]c2=NC(=O)C(C#N)=Cc2c(Oc3ccccc3)nc3ccccn3c2=O)cc1 2295852226 QMNMBDXXFQSAEM-UHFFFAOYSA-N 490.479 3.813 50 10 JHGE N#CC(=CNCc1ccc(CO)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609829 RHDCJUILIIFJBC-UHFFFAOYSA-N 466.585 3.610 50 10 JHGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(F)c2)sc(C(=O)OCCOC)c1C 2329673962 DUDIKKMNWKBHET-UHFFFAOYSA-N 460.483 3.721 50 10 JHGE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2369467462 YWGFMULAJZWAIA-MRXNPFEDSA-N 457.346 3.552 50 10 JHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)o1 13978510 NROOTVJLKPONAK-VQHVLOKHSA-N 456.351 3.789 50 10 JHGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1 14033068 DZVQBURBRQWGCY-UHFFFAOYSA-N 457.596 3.923 50 10 JHGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccccc4C)c3[N+](=O)[O-])sc2c1 40657585 QYKSFDAXGUSYJN-UHFFFAOYSA-N 451.468 3.812 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)C)c(C)c2)c(OC)c1 40879824 DCOHXJWZMBHMFP-DEDYPNTBSA-N 466.534 3.781 50 10 JHGE COc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1OC 48573238 ISAJRNCFWQYTIJ-OKCVXOCRSA-N 497.555 3.745 50 10 JHGE CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Cl 58889543 ZECVVFOPCSNDBD-SSVUZXLWSA-N 453.322 3.899 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OC)c([N+](=O)[O-])c2)cc1 58893285 SPMODNWXBGCEBQ-AIRTYWKNSA-N 480.315 3.729 50 10 JHGE O=C(N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1nc2ccccc2s1 59146955 HJJAHCNJRWXXHF-QQTULTPQSA-N 457.471 3.885 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(Br)cc2)c(Br)c1 100446016 XXJOSDBMHXADRH-UHFFFAOYSA-N 456.134 3.614 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 101591867 GQWOPORLYRLPAJ-NLRVBDNBSA-N 464.909 3.787 50 10 JHGE COc1ccc(C(=O)NN=Cc2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 252594120 BPSGBVABJTVWIC-UHFFFAOYSA-N 474.922 3.889 50 10 JHGE O=C(CSc1nnnn1-c1ccccc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254482333 HQJVAPPUHFSZRF-UHFFFAOYSA-N 480.557 3.757 50 10 JHGE CCc1ccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 254840265 GEZFCLQMOZWRLG-UHFFFAOYSA-N 451.548 3.603 50 10 JHGE CN(C)C[C@H](Br)CN(C)C(=O)c1cc(Br)c(Br)s1 690262239 YOFUNEWCCCUMGD-ZETCQYMHSA-N 463.033 3.670 50 10 JHGE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNc1nc(Br)cn2ccnc12 1472523472 OOMPAWPLCUDWPG-NTMALXAHSA-N 456.222 3.937 50 10 JHGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1873793236 DYEKJXFOKQVBHT-KOWBDXASSA-N 462.528 3.951 50 10 JHGE CN(C[C@H]1C[C@H]1Br)C(=O)COc1ccc(Br)cc1Br 1887829833 OKQVCJWDVVKKHS-PSASIEDQSA-N 455.972 3.832 50 10 JHGE CCOC1(CBr)CN(C(=O)c2cc(Br)cc(Br)c2)C1 2116386360 MQSMVWKNIXBJRG-UHFFFAOYSA-N 455.972 3.838 50 10 JHGE Cc1cccc(C(=O)N[C@@H](CBr)c2cscn2)c1I 2119037160 CVTHSFVPCOKYOB-JTQLQIEISA-N 451.127 3.922 50 10 JHGE Cl[C@H]1CN(c2ncc(I)cc2Br)CC12CCOCC2 2133377524 HLJNIUQMWISFPF-NSHDSACASA-N 457.537 3.673 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC(OCCCBr)C1 2141949564 LJKHWGBBWPBLDB-UHFFFAOYSA-N 458.521 3.571 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)C[C@@H](C)N1C(=O)OCc1ccccc1 2163056439 RTRSUUCXDHSLQJ-QZTJIDSGSA-N 450.988 3.888 50 10 JHGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1ccn([C@@H]2CCCCO2)n1 2174000573 DMYMVVCTPRLIQN-LPHOPBHVSA-N 456.406 3.947 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](CBr)C2(CCCC2)C1 2175218760 OPEQXUCWIQKVHM-KRWDZBQOSA-N 497.455 3.670 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1CBr 2179786261 YCKKDKQLJNYQIV-UHFFFAOYSA-N 460.365 3.575 50 10 JHGE CC(C)(C)OC(=O)NCCCOC1CCN(CCCCCI)CC1 2214705579 UUYZCSOHDNAZRR-UHFFFAOYSA-N 454.393 3.988 50 10 JHGE CC[C@@]1(CBr)COCCN1C(=O)c1ccc(C)c(I)c1 2232831307 RJLXUQSFHAZKQY-OAHLLOKOSA-N 452.130 3.616 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Cl)CC12CCCCC2 2241039017 HLEUFSHJWZNCMS-QGZVFWFLSA-N 453.004 3.799 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2ccc(Cl)c(I)c2)[C@@H]1Br 2268352022 MZCMDQXNAKOLPC-MNOVXSKESA-N 458.521 3.615 50 10 JHGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313649697 BARZAHOMSLRRFH-UHFFFAOYSA-N 484.581 3.939 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](P(C)(C)=O)C[C@@H](C(=O)NC[C@H]2C[C@H](Br)C2)C1 2344197162 NGGZCVWYYNFDJQ-TUVASFSCSA-N 451.342 3.524 50 10 JHGE ClC[C@@]12CCO[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349855863 TXONUVCCNXGLMB-UONOGXRCSA-N 456.549 3.883 50 10 JHGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1c(Br)c(Br)nn1C 2364006347 FAZXQSKRTGJTBR-LURQLKTLSA-N 470.003 3.722 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(OC)c1O 9490005 MQQGOKPBQADKID-MRXNPFEDSA-N 469.295 3.780 50 10 JHGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)CCC1CCCCC1 14029340 LDLYXAWQHYPWAB-UHFFFAOYSA-N 476.824 3.864 50 10 JHGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14834022 HAHGRHWRFJUAQG-OVCLIPMQSA-N 478.961 3.941 50 10 JHGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1N1CCN(c2ccc(F)cc2)CC1 40793473 QKFBARQZIRLFAL-UHFFFAOYSA-N 476.343 3.588 50 10 JHGE Cc1c(C(=O)Nc2cccnc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823051 SUOZFZGMCZYGAV-WGOQTCKBSA-N 468.311 3.863 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3cccc(Br)c3)c3ccccc32)cc1 59152279 WZCMSUSLUCGOOK-QYQHSDTDSA-N 491.345 3.877 50 10 JHGE Cc1ccc(C)c(OCC(=O)NNC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 108786874 GHAQXMVUHVOUQE-UHFFFAOYSA-N 450.457 3.597 50 10 JHGE CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H](CCl)O1 164316479 SLDJYAFIZPXBKX-SNVBAGLBSA-N 461.603 3.619 50 10 JHGE Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 254769835 TTWZPLIGLODUCG-UHFFFAOYSA-N 458.518 3.718 50 10 JHGE O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(Sc2nnnn2-c2ccccc2)o1 1084460328 HVZZVMGSTFFZJO-UHFFFAOYSA-N 454.899 3.589 50 10 JHGE Cc1ccccc1SCC(=O)NN=Cc1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 1084495937 DTMKJIPCCSDDMV-UHFFFAOYSA-N 468.495 3.856 50 10 JHGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(F)ccc1Br 1632469001 PUMAFKJXPSRQAU-OAHLLOKOSA-N 458.328 3.599 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc1 1673982927 PLMVTDSDMYOPTL-NSHDSACASA-N 450.373 3.669 50 10 JHGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712014 NSFGABAAMQQLSS-NRFANRHFSA-N 479.880 3.791 50 10 JHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2ccc(C)o2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867259651 HWISOJYYSRRPSG-HSZRJFAPSA-N 477.542 3.995 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC=C[C@H]1CBr 2026225084 YSOTYNGKLQGREG-VIFPVBQESA-N 470.930 3.829 50 10 JHGE C[C@H](Br)[C@@H]1C[C@H]1NS(=O)(=O)c1cc(Br)ccc1Br 2061894230 WHOTYKBRDSZUFP-KADJCCMJSA-N 462.001 3.662 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@H]1CCCC[C@H]1Br 2123032004 PUNVHPSBGGPRSB-VQIMIIECSA-N 485.444 3.716 50 10 JHGE CO[C@@H]1C[C@@H](Cl)CN(C(=O)c2ccc(Br)cc2I)C1 2142285380 OULCNNYSEKEKBU-NXEZZACHSA-N 458.521 3.522 50 10 JHGE C[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)CN(C(=O)OC(C)(C)C)C1 2172557734 RRTREJWMBPXTHZ-HOCLYGCPSA-N 461.422 3.753 50 10 JHGE Brc1ccc([C@@H](CI)OCCCN2CCOCC2)cc1 2175869205 AJOKPRYZLIBQDE-OAHLLOKOSA-N 454.146 3.664 50 10 JHGE CCN1CCC[C@H]([C@H](Br)c2ccc(I)c(C)c2)S1(=O)=O 2207106859 OAIMIBKXGOQEDN-ZIAGYGMSSA-N 472.186 3.850 50 10 JHGE CCN(C[C@](C)(CI)OCC1CCN(C)CC1)C(=O)OC(C)(C)C 2214840124 AUHBDLBZNKIGAW-SFHVURJKSA-N 454.393 3.796 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H]2COC[C@@]2(CBr)C1 2226167817 LZXJVCIWADCLCK-JVXZTZIISA-N 474.012 3.757 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H]2COC[C@]2(CBr)C1 2234566730 LSEOVNXBKRTXEG-XPTSAGLGSA-N 467.983 3.695 50 10 JHGE CN(Cc1ccc(I)cc1)S(=O)(=O)CCC(CCl)CCl 2280343165 ZACVBZMDKFBEJI-UHFFFAOYSA-N 450.169 3.537 50 10 JHGE COc1ccc(CC(=O)NN=Cc2cc(Br)c(OC)c(Br)c2)cc1 2323332213 JCUPXKCRCIHDKJ-UHFFFAOYSA-N 456.134 3.922 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC)c(O)c1Br 2328821177 YEKKCAHXQPNIDE-NHYWBVRUSA-N 458.353 3.553 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CCC[C@]2(CBr)C1 2364021818 JTSNVDFBAQZZJJ-SDBXPKJASA-N 470.003 3.582 50 10 JHGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 13999212 KUUVQXMZVPSOOC-UHFFFAOYSA-N 489.597 3.945 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)c(Br)c(Br)c1O 33409425 QOENKXDFCOKTOB-YHYXMXQVSA-N 456.090 3.742 50 10 JHGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 50982881 QESMRXTZTVJVKB-GDNBJRDFSA-N 487.497 3.573 50 10 JHGE C=CCOc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc1 254895531 QMNZNIRDONKOFK-UHFFFAOYSA-N 456.502 3.901 50 10 JHGE O=C(NC[C@H]1CCC[C@H](CBr)C1)c1cc(I)ccc1O 312494568 PREHIYFFBYRSQL-QWRGUYRKSA-N 452.130 3.928 50 10 JHGE CC1(C)CC[C@@H](CBr)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703968190 ZHEFQHFQVJKBTG-HNNXBMFYSA-N 485.444 3.524 50 10 JHGE O=S(=O)(N[C@H]1CCOC[C@@H]1Br)c1c(Cl)cc(Br)cc1Cl 706706144 VLYGXHYDDFRGRZ-XVKPBYJWSA-N 467.994 3.587 50 10 JHGE COc1cc(C=NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc(Cl)c1OCC(N)=O 745984295 HYCKGOADIFAKJC-UHFFFAOYSA-N 485.899 3.695 50 10 JHGE C[C@H]1CCCCN1C(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 782091272 FEVPQSPTLMGFLE-NFBGKYEXSA-N 465.941 3.968 50 10 JHGE COc1cc(C=NNC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])cc1O 1083993885 RVKFJDVNXLXNLR-UHFFFAOYSA-N 491.507 3.850 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)CC1 1260512394 VPLAHMCVAOLMAK-INIZCTEOSA-N 461.422 3.897 50 10 JHGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNc2c(C)cccc2Br)cc1 1562198041 ZVGKCZQTIUQJLL-UHFFFAOYSA-N 453.362 3.713 50 10 JHGE C[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866873449 RSIKACSOZNDTFY-BEFAXECRSA-N 453.593 3.741 50 10 JHGE O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccccc1)C1(CBr)CCC1 1915755480 OJDYHUHYUBAKLV-UHFFFAOYSA-N 452.370 3.966 50 10 JHGE O=C(NC[C@@H](Br)CF)c1ccc(I)c(Br)c1 1937689749 XPFNLMUCFANZRA-ZETCQYMHSA-N 464.898 3.517 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OCCN2CCCCC2)CC1 2007004648 STPMEGSCPCYTES-UHFFFAOYSA-N 452.377 3.694 50 10 JHGE CCOC(=O)Cc1cc(I)cc(I)c1CCl 2055321502 LANULNIEALEUMX-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCO[C@@H](CCBr)C1 2116239717 WHYFEZBYIKFXNF-JTQLQIEISA-N 458.521 3.571 50 10 JHGE C[C@@H](Cl)[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CCO1 2117535175 YABMLQUJQUNESG-PELKAZGASA-N 458.521 3.522 50 10 JHGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2144839211 VAUFXCJYGVCJRE-QZTJIDSGSA-N 469.832 3.940 50 10 JHGE O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC(CI)CC1 2154826552 YASVTDHTLRHCIJ-UHFFFAOYSA-N 452.116 3.968 50 10 JHGE CC[C@]1(CCl)COCCN1C(=O)c1ccc(I)c(Br)c1 2169026184 FNGHACKWEMGZPP-AWEZNQCLSA-N 472.548 3.914 50 10 JHGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 2179833098 AACJMOCOUFTOTO-MXVIHJGJSA-N 455.462 3.868 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2204090702 SZTHMVRDMXJEKZ-BBWFWOEESA-N 497.455 3.524 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCCI)C2(CCOCC2)C1 2214712077 TVJFZLHRTSXLMQ-HNNXBMFYSA-N 452.377 3.740 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](F)C[C@@H](Br)C1 2226316397 FGWGGFZWPDQOEJ-BDAKNGLRSA-N 479.991 3.708 50 10 JHGE Cc1ccc(I)c(C(=O)NC[C@@]2(CBr)CCCOC2)c1 2240926528 VOBFJHMLSUHZPU-HNNXBMFYSA-N 452.130 3.521 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H]2OCC[C@@]2(CBr)C1 2296380003 GSSJFYJUOHTKTE-BXUZGUMPSA-N 467.983 3.838 50 10 JHGE CCNC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 2296719404 NDQLXHRJSRSOLQ-UHFFFAOYSA-N 453.296 3.601 50 10 JHGE CC(C)(CI)CN1CCC2(CC1)COCCN2C(=O)OC(C)(C)C 2306810287 RXHXNBFSQAVWKP-UHFFFAOYSA-N 452.377 3.550 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@H]1CCCN1C(=O)OC(C)(C)C 2325065537 SIHHFRJJGWUBCC-VFNWGFHPSA-N 493.692 3.725 50 10 JHGE C[C@H](Br)CC(C)(C)CNC(=O)c1c(Br)c(Br)nn1C 2338864335 VAWWQGWVDXGZEG-ZETCQYMHSA-N 460.008 3.875 50 10 JHGE C[C@H](Br)CN(C1CCCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2342935841 WSPKDQJZRKPTNA-INIZCTEOSA-N 485.444 3.811 50 10 JHGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1cnn(C)c1I 2365975612 ZDACUVDADOQJRZ-SNVBAGLBSA-N 468.158 3.685 50 10 JHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14036213 CDYNODCZMOZRBL-UHFFFAOYSA-N 468.579 3.553 50 10 JHGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039720 SNJVZLNXLXYGMV-UHFFFAOYSA-N 493.585 3.883 50 10 JHGE COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(CCc3ccc(OC)cc3)CC2)c1C 211055491 FVQDDXLIAYVLQJ-YZYPULCFSA-N 464.610 3.615 50 10 JHGE O=C(NCCCI)c1cc(I)ccc1Br 232465313 OXHQDBROWABBPN-UHFFFAOYSA-N 493.908 3.609 50 10 JHGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1cccnc1 254485797 MAPLOFMZKNORSE-UHFFFAOYSA-N 475.599 3.963 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3O)nnc2-c2ccccc2)cc1 254715040 OQECEXWWXMZWNT-UHFFFAOYSA-N 475.530 3.597 50 10 JHGE C[C@H](Cl)C[C@H]1CCCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703966226 DLUAXDNLVMKQEC-DLBZAZTESA-N 455.020 3.901 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 726156780 JDPNPBOAWCEYFC-UHFFFAOYSA-N 484.601 3.531 50 10 JHGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNc1nc(-c2cccnc2)no1 728078969 DPMRTFCJLBUNFG-MRXNPFEDSA-N 463.325 3.726 50 10 JHGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2 1306562062 XSSHVTVFOSMZAH-LJQANCHMSA-N 452.559 3.720 50 10 JHGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(-c4ccccc4OC)nc3C)cc2C1=O 1865760050 DOXCXOPOQIOLLA-OAHLLOKOSA-N 486.528 3.535 50 10 JHGE CN1C[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 1904325869 CXDIVQXSOMSQOK-GXSJLCMTSA-N 458.963 3.921 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)c1csc(Br)c1Br 2049915869 WOMFJPKISMHXBQ-NSHDSACASA-N 462.001 3.899 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@H]2[C@@H]1CBr 2086146969 HHNSEWOFUONTSV-KOLSJAJHSA-N 484.957 3.909 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H]1[C@H]2CBr 2138262705 QAEHRSIRMKYXIJ-HDBBIHSSSA-N 474.012 3.616 50 10 JHGE CC(C)n1cc(S(=O)(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cc1CBr 2179858328 NCIRVTUHNAGNFU-SFHVURJKSA-N 454.434 3.859 50 10 JHGE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1csc(N(C)C[C@@H]2C[C@@H]2Br)n1 2198793575 ZSJJUEDDBWLGTB-RWMBFGLXSA-N 462.410 3.882 50 10 JHGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1 2295483057 VTIZAYMBDAOJCY-UHFFFAOYSA-N 457.490 3.582 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350732 ISWJSZYECABUDB-UHFFFAOYSA-N 491.504 3.732 50 10 JHGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 2313864194 CZVVIFQHXJUXRD-UHFFFAOYSA-N 458.754 3.761 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1csc(Br)c1 2314949787 PDFBUWHIRZRIQE-UHFFFAOYSA-N 460.028 3.946 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2ccc(Cl)cc2I)C1 2340068995 UMWGVDBUIHNLKN-WPRPVWTQSA-N 458.521 3.569 50 10 JHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 9826328 NWBGFPSVRTUTBG-UHFFFAOYSA-N 493.585 3.630 50 10 JHGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3cc([N+](=O)[O-])ccc3C)C2=O)cc1OC 39894361 PAXMOZDNOMSVPD-XSFVSMFZSA-N 476.489 3.668 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 40611771 OAIOVYBHQYJGHY-UHFFFAOYSA-N 462.510 3.609 50 10 JHGE COc1ccc2nc(Nc3ncnc(NNC(=O)c4ccc(F)cc4)c3[N+](=O)[O-])sc2c1 40657589 LVGLZZSDKRGFBD-UHFFFAOYSA-N 455.431 3.643 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C(/C)c1ccc2c(c1)OCO2 58989977 SOLNSGOJZQBOEG-UQQQWYQISA-N 463.563 3.611 50 10 JHGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1ccc2c3c(cccc13)CC2 59464009 DQSYGBHAKARTAB-ZMOGYAJESA-N 486.391 3.617 50 10 JHGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OCC)c1 206287771 KKNHYMUAVCTXGA-CHHVJCJISA-N 455.379 3.591 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)Cc1cccc2ccccc12 207174114 YNZBEBFTJNBINQ-JCMHNJIXSA-N 456.498 3.762 50 10 JHGE COC[C@H](Br)CN(C)C(=O)c1cc(Br)ccc1I 234766836 CREAARWPMSDCLP-SECBINFHSA-N 490.961 3.536 50 10 JHGE O=S(=O)(NC1CC(CBr)C1)c1cc(Br)ccc1Br 698963331 VRYCCYGPNKOVKB-UHFFFAOYSA-N 462.001 3.663 50 10 JHGE CSc1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 1084228138 CWEGDWLTPZFWED-UHFFFAOYSA-N 457.552 3.893 50 10 JHGE CC1=C(C(=O)NN=Cc2ccc(C(=O)O)cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084287918 ZAQXXSGJHRYIDR-QGZVFWFLSA-N 463.346 3.635 50 10 JHGE C=CCC1(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CCOCC1 1648432983 QWJPSUTWUFJYRU-UHFFFAOYSA-N 450.564 3.989 50 10 JHGE C=C(CNC(=O)NNc1ccc(S(=O)(=O)NC2CCCCCCC2)cn1)c1ccccc1 1681774481 MHTWYVQFIRMWOW-UHFFFAOYSA-N 457.600 3.812 50 10 JHGE C[C@@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866630652 VLRVIMNDAHARJR-CQSZACIVSA-N 493.010 3.600 50 10 JHGE COC1CC(CBr)(NC(=O)c2c(Br)cccc2Br)C1 1899895016 FAONURJAGRGVLK-UHFFFAOYSA-N 455.972 3.884 50 10 JHGE O=C(NC[C@H](Br)CF)c1ccc(I)c(Br)c1 1937689748 XPFNLMUCFANZRA-SSDOTTSWSA-N 464.898 3.517 50 10 JHGE BrCC1[C@@H]2CN(c3ncc(I)cc3Br)C[C@@H]12 1988536634 PZCUINGGKXVXQT-IUCAKERBSA-N 457.935 3.526 50 10 JHGE CCOC(=O)Cc1cc(I)c(I)c(CCl)c1 2055327960 GIMQIXCFDGTPQD-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE O=C=Nc1c(OC(F)(F)F)ccc(I)c1I 2060035937 VFTJVTBUBBWBRW-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE Cc1ccc(I)c(I)c1C(=O)CBr 2060165639 ZBZFYAOSCOMYAW-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE COCCN1C[C@H](Br)[C@H](Cc2cc(Cl)ccc2I)C1 2100738517 QCGZGINJHPCRQY-YPMHNXCESA-N 458.565 3.829 50 10 JHGE CN([C@H]1CCCCC[C@@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2115917534 GMTZGDLPJMZAAL-OALUTQOASA-N 485.444 3.811 50 10 JHGE C[C@H]1CO[C@@H](CCl)CN1C(=O)c1ccc(Br)cc1I 2142285630 RYKNGAJOEICGQT-WPRPVWTQSA-N 458.521 3.522 50 10 JHGE Cc1cc(C(=O)N[C@@H](CBr)C[C@H]2CCCO2)ccc1I 2207108689 YLZGAIDINMUAFK-CHWSQXEVSA-N 452.130 3.662 50 10 JHGE O=C(c1c(F)cccc1I)N(CCBr)CC(F)(F)F 2267677512 PJBQNSWVYCNBDP-UHFFFAOYSA-N 453.999 3.830 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@H](CCBr)O1 2283665728 WYSRDRXQEXILIL-ONGXEEELSA-N 472.548 3.959 50 10 JHGE CCN(CCOCCI)[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2306802894 SWFGJPBRBZTFAX-HZPDHXFCSA-N 454.393 3.843 50 10 JHGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 2313861870 INBLZKFXFOITBM-UHFFFAOYSA-N 476.514 3.523 50 10 JHGE N#CC(=Cc1ccc(OC(=O)c2cncc(Br)c2)cc1)C(=O)NCc1ccco1 2314754951 JUTQMSICHGXXRG-UHFFFAOYSA-N 452.264 3.880 50 10 JHGE COc1cc(OC)c([N+](=O)[O-])cc1C=NNC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 2318418218 UEKUFSKHEGLEMA-UHFFFAOYSA-N 459.462 3.843 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2323278420 RQNFDZGANKDXDT-SZNDQCEHSA-N 493.692 3.629 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)c1nscc1Br 2346721151 KQRKUQWMCITXBL-HNNXBMFYSA-N 486.479 3.701 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2350358272 XASGJWVIGKZULG-PMACEKPBSA-N 495.711 3.848 50 10 JHGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2Cc1ncc(I)cn1 2381295060 JHFFHTUAQHPSFG-WDFAYWTNSA-N 450.162 3.998 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 12570111 DPSWINPKYGHKAB-LBPRGKRZSA-N 497.404 3.835 50 10 JHGE Cc1cc(OCc2ccc(C(=O)NNC(=O)CCn3c(=O)oc4ccccc43)cc2)ccc1Cl 21876452 IUMVVBSDWAIUBY-UHFFFAOYSA-N 479.920 3.987 50 10 JHGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(OC)cc2)cc1 100154338 CWQQINBDSURCDY-UHFFFAOYSA-N 473.595 3.759 50 10 JHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 101234649 MESCYPYHIKIMRS-MHWRWJLKSA-N 457.368 3.713 50 10 JHGE C[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)C[C@H](CBr)O1 686112099 XGNJTHRJTSUJCD-APPZFPTMSA-N 465.051 3.694 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)Cn3cnc4cc(C)c(C)cc43)cc2)cc1 1083993222 YBCPWUHSTPLEDZ-UHFFFAOYSA-N 476.558 3.880 50 10 JHGE Cc1ccc(Cn2nc(C)c(/C=C/C(=O)NNC(=O)c3cc(Br)c[nH]3)c2Cl)cc1 1087991462 LZEYUHWINQQLHC-BQYQJAHWSA-N 476.762 3.767 50 10 JHGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1873792523 ICORVUYLZSYVIR-KKMKTNMSSA-N 480.883 3.624 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCN2CCCC2)C1 2007042079 ZYKWNNXUIWZWOA-GOSISDBHSA-N 452.377 3.694 50 10 JHGE O=C=Nc1cc(I)c(OC(F)(F)F)cc1I 2060036799 PMQXYRFLWILPHZ-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC2(CC[C@@H]1CBr)CC2 2154169417 XBNLXNSMOHZEBU-LLVKDONJSA-N 450.114 3.777 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](CBr)(C(C)(C)C)C1 2160929330 JFEWXFBYJGGVNB-JOCHJYFZSA-N 499.471 3.772 50 10 JHGE O=S(=O)(c1occc1CBr)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2179832282 IXZJZVYLXNOKQP-HXUWFJFHSA-N 453.402 3.851 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCCI)C[C@@H]1C(F)(F)F 2211189432 ITHMDTBBESUKRY-RYUDHWBXSA-N 450.283 3.979 50 10 JHGE CO[C@H]1[C@@H](CBr)N(Cc2cc(Br)ccc2Br)C[C@H]1OC 2233362414 UOHVKXIKIVHXGC-MCIONIFRSA-N 472.015 3.821 50 10 JHGE Cc1ccc(B(O)O)c(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 2269540706 BUYYEWLTELBGDF-SANMLTNESA-N 486.377 3.567 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H]2OCC[C@@]2(CBr)C1 2278863809 ICXMEQWHORFMMB-PRHODGIISA-N 474.012 3.899 50 10 JHGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C#N)=Cc1ccc2c(c1)OCO2 2297397832 KTVOJCKTEMULPR-UHFFFAOYSA-N 465.506 3.595 50 10 JHGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 10295694 XOYJSLITBIGLJA-AWEZNQCLSA-N 494.411 3.649 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccs2)c(Br)c1 12489456 KUQKONVOVQJRBD-SOFGYWHQSA-N 482.425 3.748 50 10 JHGE COc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14006756 VSYYEMYJUGNTCX-AWEZNQCLSA-N 479.371 3.749 50 10 JHGE O=C(NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccc(Cl)cc1 14041084 BIUYVHHZWQAGSN-UHFFFAOYSA-N 469.950 3.747 50 10 JHGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1 14666937 HGFRWJVIORZWBY-UHFFFAOYSA-N 462.344 3.664 50 10 JHGE COc1cc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 58929716 MTTLJUKAYSOGRT-PEBXRYMYSA-N 477.473 3.829 50 10 JHGE CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 59679894 AGDDYIWTMYMRGL-FOKLQQMPSA-N 475.295 3.910 50 10 JHGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1OCC 103756908 GOSUCMBZHNDQHU-SYHWEURASA-N 494.544 3.781 50 10 JHGE CC(=NNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 254901610 JATUAYIZPMUNJQ-UHFFFAOYSA-N 452.492 3.574 50 10 JHGE COc1ccccc1NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761396063 BIWHBCVHKUGWKO-KETZHDHUSA-N 469.501 3.950 50 10 JHGE Cc1cc(C=NNC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084006225 LTOQLPGTGZKQCO-UHFFFAOYSA-N 496.501 3.641 50 10 JHGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 1084090473 MXOUAVAZXQSIMZ-UHFFFAOYSA-N 488.544 3.925 50 10 JHGE O=C(COc1ccc(Br)cc1)NN=Cc1cccc(I)c1 1565517438 QUNHQGYHFNVWPB-UHFFFAOYSA-N 459.081 3.583 50 10 JHGE CS(=O)(=O)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614621245 WVVNALWWJULNRJ-IEBWSBKVSA-N 499.370 3.877 50 10 JHGE COc1cccc(-c2ccc(C(=O)N/N=C(/C)c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)c(C)n2)c1 1865763364 IUELQUUPDWQBHL-FOCLHDTISA-N 458.518 3.963 50 10 JHGE CC(C)(CI)CN=S1(=O)CCC(CNC(=O)OC(C)(C)C)CC1 1904649908 ASBRBDAIXDKWAH-UHFFFAOYSA-N 458.406 3.850 50 10 JHGE CC(C)(C)[C@]1(CBr)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2160930472 FNGNMONTLXBPCF-QFIPXVFZSA-N 499.471 3.916 50 10 JHGE O=S(=O)(c1ccc(Cl)c(CBr)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179791858 XKZJRMRAHPEPQN-ROUUACIJSA-N 469.832 3.987 50 10 JHGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 2179857782 DYNLBNDTUMUTLE-OAHLLOKOSA-N 455.393 3.924 50 10 JHGE COc1ccc(S(=O)(=O)N2CC[C@H](COCc3ccccc3)C2)cc1CBr 2179858492 PEBOUMLXCKXAGA-KRWDZBQOSA-N 454.386 3.818 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[C@H]1Br 2221680084 NRQKOAUCXMAJOA-YUELXQCFSA-N 476.209 3.785 50 10 JHGE Cc1ccc(I)c(C(=O)NC[C@@H](CBr)C(F)(F)F)c1 2232157035 CKTIQHIQPLDWIY-MRVPVSSYSA-N 450.036 3.903 50 10 JHGE CC(C)(C)OC(=O)N1CC(O)(CN(CCCCI)Cc2ccccc2)C1 2241521243 OJKIEOZHLNDMFC-UHFFFAOYSA-N 474.383 3.686 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 2313630058 CBABTKMZDUTWOQ-UHFFFAOYSA-N 461.356 3.995 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 2314754847 FKKDWOZBPPUPKL-UHFFFAOYSA-N 491.456 3.794 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1C(C)C 2314795632 BTJREPPLOTZJFW-UHFFFAOYSA-N 464.518 3.569 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1CCC(CCl)CC1 2364217997 XGMYXPUPNQTAOO-UHFFFAOYSA-N 455.020 3.808 50 10 JHGE N#CC(C(=O)COC(=O)c1ccccc1N/C=C\C(=O)C(F)(F)F)=C1Nc2ccccc2N1 3292052 BHTVGUHQFZGLGR-KTKRTIGZSA-N 456.380 3.742 50 10 JHGE CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)c1 10661207 JOADERAUNAIBMW-GFCCVEGCSA-N 468.291 3.552 50 10 JHGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14643246 PZHSYTWHVQDLGP-AWEZNQCLSA-N 474.355 3.643 50 10 JHGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 35446623 IHVGXQOGDNSYMT-VOSMRYOYSA-N 490.585 3.538 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1cc(C)ccc1C 41015614 KRJHOTSVKMMFBW-CJLVFECKSA-N 478.545 3.842 50 10 JHGE COCCOCCOCCO[C@@H](CI)c1ccccc1Br 162596961 JIOWBVPVUNZHGR-HNNXBMFYSA-N 473.145 3.621 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(I)cc2)cc1 725433431 HFXJDILYLIOMSK-SFHVURJKSA-N 452.292 3.654 50 10 JHGE CCOC(=O)Cc1csc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)n1 918640949 DLSSDWCUXPUCNK-BOPFTXTBSA-N 460.519 3.572 50 10 JHGE C[C@H]1CCc2c(sc3nc(CCC(=O)NNC(=O)c4ccc(Br)cc4)nc(O)c23)C1 1115818806 ANMVVFPDKZMCBU-NSHDSACASA-N 489.395 3.678 50 10 JHGE C=CC(=O)NCc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 1264240900 BYWPSPRMWVLEAQ-UHFFFAOYSA-N 450.498 3.779 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)C(=O)c1ccc(I)c(Br)c1 1910142194 QDSWIOUJJLKGRK-IUCAKERBSA-N 472.946 3.909 50 10 JHGE C[C@@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)N1CCCC1 2013716483 SOQIBJPPJYUWCS-HNNXBMFYSA-N 452.377 3.692 50 10 JHGE CN1CCC[C@H]([C@H](Cl)c2cc(Br)ccc2I)S1(=O)=O 2089535869 OTZKJQWJUNNSDM-VXGBXAGGSA-N 478.577 3.758 50 10 JHGE O=C(NCC[C@H]1COC[C@@H]1Br)c1c(Br)cccc1Br 2111328604 NGJSAKORILOBCY-KWQFWETISA-N 455.972 3.741 50 10 JHGE O=C(N[C@@H](CBr)c1cccs1)c1cc(I)ccc1O 2119041041 XLZJUBCOXYMCLO-JTQLQIEISA-N 452.111 3.924 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2121590289 CPJWHESKWYGXOY-BHNWBGBOSA-N 474.012 3.755 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2162589001 LXIYKDGRQICEEB-NVXWUHKLSA-N 461.422 3.943 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C(C)(C)CN1C(=O)OC(C)(C)C 2163054592 YPKUVVICLJYIJV-CQSZACIVSA-N 461.422 3.990 50 10 JHGE C[C@@H](CO[C@@H](CI)c1cccc(Br)c1)N1CCOCC1 2186735459 WAXKYUVZUNPDHH-WFASDCNBSA-N 454.146 3.663 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2196362767 YIPNUMXZGLDEPW-ZBFHGGJFSA-N 461.422 3.799 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)c1c(Br)cc(N)cc1Br 2196930506 UHRGULDYLBXNBO-ZKCHVHJHSA-N 491.043 3.588 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@H]1Cl)c1ccc(I)c(Br)c1 2206470769 JSTLOYRGECZNLU-RYUDHWBXSA-N 470.532 3.712 50 10 JHGE Cc1ccc(I)c(C(=O)N2C[C@H](Br)[C@@H](Br)C2)c1 2217409140 OYDHEERXSGNGMA-UWVGGRQHSA-N 472.946 3.582 50 10 JHGE CO[C@@H]1[C@H](OC)CN(Cc2c(Br)cccc2Br)[C@H]1CBr 2233358047 ZICHPBWKTHVZPZ-MJBXVCDLSA-N 472.015 3.821 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCC(CO)(CCl)CC1 2280191496 DLFFSVUNFVHAOR-UHFFFAOYSA-N 472.548 3.507 50 10 JHGE N#CC(=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314488190 LZMAQXQPVDIJTQ-UHFFFAOYSA-N 462.491 3.570 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC(C)(C)C[C@@H]1CBr 2338680085 QNSIXBTXZSSAFY-SSDOTTSWSA-N 457.992 3.581 50 10 JHGE COc1cc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccc(O)c(OC)c2)ccc1O 5329432 ISNGCHRIWJBWQD-UHFFFAOYSA-N 498.580 3.836 50 10 JHGE C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 23724521 BPXYQKNUVBYZGY-CAPFRKAQSA-N 451.548 3.972 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccccc1F 38651918 AINHNHVUQZYYNM-QHCPKHFHSA-N 461.405 3.936 50 10 JHGE COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] 40658530 XAVUANSHZMTKIX-UHFFFAOYSA-N 464.360 3.793 50 10 JHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(F)c(F)c1 59261936 PEJIYZOYGRTFMW-WEPAEKJRSA-N 456.522 3.985 50 10 JHGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)NCc4ccccc4)cc3)nc2s1 96484397 QAGAWNAOUBNUBB-UNOMPAQXSA-N 471.542 3.516 50 10 JHGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1ccc(Br)cc1 102976625 CZKYXMKVNCSRQR-HGBKYHTQSA-N 472.364 3.630 50 10 JHGE CS(=O)(=O)CCC(CBr)(CBr)c1ccccc1Br 118878902 LHCAIKBFZYEHRQ-UHFFFAOYSA-N 463.029 3.911 50 10 JHGE C[C@@H](Br)CN(C)C(=O)c1cc(Br)ccc1I 235173159 MTAOJVIHMWBHGH-SSDOTTSWSA-N 460.935 3.909 50 10 JHGE CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 252639698 YMWJTFYEDKKXBN-UHFFFAOYSA-N 496.545 3.932 50 10 JHGE O=C(NN=C/C=C/c1ccccc1[N+](=O)[O-])/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254371656 UEHWUFVKUCOXQV-AZNXFCGWSA-N 484.468 3.910 50 10 JHGE CC(=NNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 254763651 PGDYIHFGMLAWBN-UHFFFAOYSA-N 452.492 3.574 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC(CBr)C2)cc1Br 306084277 JJODCQOQRKLYHD-UHFFFAOYSA-N 462.001 3.535 50 10 JHGE O=C(CBr)c1c(I)cc(F)cc1I 306921939 SQOSWUMXPVSGFC-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE C[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H](CBr)O1 705407411 BSAYMNKURWBGHA-RQJHMYQMSA-N 462.001 3.898 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)O[C@H](C(N)=O)c2ccccc2)c(-c2ccc(Cl)cc2)n1 821892321 ACMDZYFTKJWISK-CAVPUYEOSA-N 459.893 3.794 50 10 JHGE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NNc1nnc(-c2ccccc2)n1-c1ccccc1 915076774 ASESLSMKVIGPKR-DEOSSOPVSA-N 466.545 3.913 50 10 JHGE CN(C)[C@H](CNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 917937100 BYMUZUSHMJMGGH-PBMMVTTKSA-N 452.562 3.660 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(OCCn3cncn3)c2)c(-c2ccccc2)n1 918616172 FCSAYEQGMSGZPC-STZFKDTASA-N 478.516 3.680 50 10 JHGE CC(=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1cccnc1 1084240447 FLJVCHBZUATAGV-UHFFFAOYSA-N 457.563 3.907 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc(Br)c(N2CCOCC2)o1 1084501104 HLQWOMGOQVWOEL-UHFFFAOYSA-N 477.142 3.715 50 10 JHGE C=CCOc1ccccc1CN(C(=O)/C(C#N)=C\c1cnn(C)c1)c1ccc2c(c1)OCCO2 1136697771 FAXPKLCJJATMRK-BKUYFWCQSA-N 456.502 3.896 50 10 JHGE O=C(NOCCCNC(=O)[C@H]1C[C@H]1Br)OCC1c2ccccc2-c2ccccc21 1877414030 KURPECTTWBZZAJ-AZUAARDMSA-N 459.340 3.746 50 10 JHGE Brc1ccc(I)cc1CO[C@@H]1COC[C@H]1Br 1902312733 ICTHETRZYHHMOV-GHMZBOCLSA-N 461.919 3.733 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@H]2COC3(CCCCC3)C2)C1 2017996778 YWPGIMPJHUBSAY-QLFBSQMISA-N 451.345 3.918 50 10 JHGE COC(=O)Cc1c(I)cc(CBr)cc1OC(F)(F)F 2055371285 VIRPAKSWRXIFSS-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE C[C@@H]1[C@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C2CCN1CC2 2077344804 YECBCHAGDAFFSY-ALKREAHSSA-N 464.388 3.690 50 10 JHGE O=C(NC[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)C(F)(F)F)OCc1ccccc1 2106303849 YWVOWFZWTREEBN-MRXNPFEDSA-N 495.317 3.717 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)CCO1 2117533831 QJYAGMGCDUDKQH-PELKAZGASA-N 455.972 3.836 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@@H]2CCC[C@@]2(CBr)C1 2159408483 LNDIULCGHNRWFT-ZUZCIYMTSA-N 450.114 3.634 50 10 JHGE COCCN(C[C@@H](C)Br)C(=O)c1ccc(Cl)c(I)c1 2272440423 ZPBDBWIOGZISMR-SECBINFHSA-N 460.537 3.817 50 10 JHGE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CSCc1cc(Br)cc(C(=O)NN)c1 2288736767 ANYHXAIEBOWEFP-WBMJQRKESA-N 458.422 3.931 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1cc(C(=O)OC)ccc1C(=O)OC 2325307231 ZXUGXJCNWWMOPY-UHFFFAOYSA-N 479.489 3.675 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2364206240 RCUIBYXDJHRQAM-FUHIMQAGSA-N 497.455 3.811 50 10 JHGE Cc1nn(-c2ccccc2)c2nc(-c3cccnc3)cc(C(=O)N/N=C3/C(=O)N(C)c4ccccc43)c12 3264375 FFYYHXHANJBNNL-QCKNELIISA-N 487.523 3.901 50 10 JHGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 13989186 NUQGUUKBDIBMSX-OAHLLOKOSA-N 457.324 3.904 50 10 JHGE C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14034018 LMWZDRMEKSZUDO-CYBMUJFWSA-N 494.342 3.649 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38654683 FPDVRVKPBYCIIA-NRFANRHFSA-N 458.386 3.940 50 10 JHGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1cc(Cl)ccc1O 58990248 BUBZFHNPRFLUOH-DHRITJCHSA-N 464.938 3.931 50 10 JHGE Cc1cc(C)c(OCC(=O)N/N=C2/C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)c(C)c1 59165723 CFZNDNFADVFVLS-ZZIIXHQDSA-N 472.501 3.966 50 10 JHGE CC(=O)Nc1cccc(N/C=C2/C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)c1 103518592 KZTACGZJSRSQOR-HZHRSRAPSA-N 453.502 3.874 50 10 JHGE COc1c(Br)cc(/C=N\NC(=O)c2ccccc2O)c(OC)c1Br 169886820 MOKMFPYUQVZQHP-UWVJOHFNSA-N 458.106 3.698 50 10 JHGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1OCC 205933174 JADKMVUZICTBHS-CJLVFECKSA-N 466.538 3.814 50 10 JHGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1nnc(-c2ccccc2)s1 254349011 IJXXLILJNIPHJW-UHFFFAOYSA-N 457.515 3.873 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1c1ncc(C(F)(F)F)cc1I 686113083 MUOMFSGKEYGSPI-IONNQARKSA-N 465.051 3.694 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H](CCl)O1 721620320 OIRRYEYZQQKVGX-SCZZXKLOSA-N 458.521 3.522 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)COC3)c(-c2ccccc2)n1 746532765 ALQGXYDQWQOPQT-MTJSOVHGSA-N 452.470 3.827 50 10 JHGE COc1ccc(C(=O)NC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 786604623 AAHCFQMEDFNXCI-MOSHPQCFSA-N 475.476 3.649 50 10 JHGE O=C(Cn1nnc2ccccc21)NN=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccco1 1084313424 MBOJJIZJMUIDIL-QVWIXQKQSA-N 494.305 3.556 50 10 JHGE Cc1c(C(=O)Nc2ccccn2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747055 KRKLSZNISVZINH-UHFFFAOYSA-N 468.311 3.863 50 10 JHGE C[C@@H]1Oc2ccc(C(=O)COc3cccnc3NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2N(C)C1=O 1858695001 RDHUFUAUDTUXMA-AWEZNQCLSA-N 492.444 3.606 50 10 JHGE Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1C 1858955229 MNZQSVYJBIBRES-UHFFFAOYSA-N 483.502 3.619 50 10 JHGE CCCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860771199 MSIGCMHIIJUQIL-JLHYYAGUSA-N 488.569 3.775 50 10 JHGE CO[C@H](CCBr)CNC(=O)c1ccc(Br)cc1I 2086148983 IRGKFFDLGJLWBR-SECBINFHSA-N 490.961 3.584 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1csc(Br)c1Br 2122367890 JQTQQYCRRYSKFH-HTQZYQBOSA-N 475.044 3.813 50 10 JHGE CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163050569 LAQTYYGPTCECJJ-INIZCTEOSA-N 461.422 3.992 50 10 JHGE CCn1cc(S(=O)(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1CBr 2179785912 SEBPGPGKTYZKKW-QGZVFWFLSA-N 454.434 3.688 50 10 JHGE O=C(N[C@@H](CCl)C[C@@H]1CCOC1)c1cc(Br)ccc1I 2195509236 ZXOMCBOZENZWFI-GXSJLCMTSA-N 472.548 3.818 50 10 JHGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(F)c(F)cc1F 2277437599 PAAIDJHFHMXPSF-CYBMUJFWSA-N 452.292 3.705 50 10 JHGE C=CC[C@]1(CBr)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2287851614 BSZLBFFGRFZIIG-JOCHJYFZSA-N 497.455 3.836 50 10 JHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1 2296537519 SRMRXVAWEUHCRV-UHFFFAOYSA-N 475.980 3.938 50 10 JHGE Cc1csc2nc(Cl)c(C=NNC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)n12 2325903196 DYUJKCHQHRBEPL-PWSUYJOCSA-N 489.026 3.965 50 10 JHGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(I)cc2C(=O)O)cc1OC 2329702173 OZHDUSODOSSYMF-UHFFFAOYSA-N 478.242 3.552 50 10 JHGE COc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc(OC)c1OCc1ccccc1 10736925 SGEHFBCFZDYUGR-UHFFFAOYSA-N 459.502 3.849 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCc1ccccc1 14654062 XQLCCYQFZANEQB-UHFFFAOYSA-N 464.385 3.506 50 10 JHGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2)c(OC)c1 40877460 ILIQGQUVUSTVFW-LFIBNONCSA-N 473.323 3.875 50 10 JHGE COc1ccc(Br)cc1/C=N\NC(=O)c1cccn(Cc2ccc(C)cc2)c1=O 169919893 GEMIVLUKQGWUAX-CFRMEGHHSA-N 454.324 3.740 50 10 JHGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1 229102759 BUEPLBGROHDBIH-JCHNUQKFSA-N 487.560 3.561 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H](CBr)O1 235351848 SAQYUJXKNCMRBY-PRHODGIISA-N 455.972 3.836 50 10 JHGE O=C(N[C@H]1CCCN(CCBr)C1)c1ccc(I)c(Cl)c1 384690229 IFZYTYWCYYHGSE-NSHDSACASA-N 471.564 3.534 50 10 JHGE O=C(NNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)c1cccc2cccnc12 726932520 YPYPYXADEZRJOF-UHFFFAOYSA-N 489.376 3.744 50 10 JHGE COc1ccccc1OCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727848081 XOGZNJYUNUNPJN-UHFFFAOYSA-N 476.464 3.755 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c(-c2ccccc2)n1 761422152 ZWTPBNJDQAWMAP-CJLVFECKSA-N 478.512 3.551 50 10 JHGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c1C 768745748 CFNBRRMSQVSLMB-SYERDGIWSA-N 453.543 3.713 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc([N+](=O)[O-])cc1 1084067102 YFRNQDHIWHYGFG-UHFFFAOYSA-N 457.078 3.649 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4cccc(C(F)(F)F)c4)c(=O)c23)C1 1860770891 BDRAYEYPLPPMNA-VXGBXAGGSA-N 478.496 3.624 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2ccc(I)c(Br)c2)[C@@H]1Cl 1911076531 WETOZDAIUSCZBT-QWRGUYRKSA-N 458.521 3.568 50 10 JHGE CCOc1ccc(C(=O)CCl)c(I)c1I 2060131348 FMHYKLDAXNWKFA-UHFFFAOYSA-N 450.441 3.716 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCC[C@@H](CBr)C1 2089707908 UCFHDKGKQIMGGZ-IAGOWNOFSA-N 485.444 3.574 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@@](=O)(=NC(=O)N1CCC(Br)CC1)C2 2162870440 FBKQLIXKAWTGER-MYUZEXMDSA-N 464.426 3.607 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2279520576 IEEFRVZLJZUYFH-MDZRGWNJSA-N 497.455 3.667 50 10 JHGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 2313624944 LJCJKXPJEKICTL-UHFFFAOYSA-N 482.389 3.896 50 10 JHGE CC(C)[C@H]1C[C@@](C(=O)O)(N(C)C[C@H]2C[C@H](Br)C2)CN1C(=O)OCc1ccccc1 2351124856 NLKULGJOVPGTRD-JPAWQOSXSA-N 467.404 3.982 50 10 JHGE Cn1nc(C(F)F)c(CBr)c1-n1ccnc1CCCN1C(=O)c2ccccc2C1=O 2365266720 BAIBKNCFRPVPTE-UHFFFAOYSA-N 478.297 3.667 50 10 JHGE CCN1C(=O)/C(=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c2ccccc21 3470007 UQQARZVHBDQNTG-NJNXFGOHSA-N 482.949 3.641 50 10 JHGE Cc1ccccc1C(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 12503314 WNDVPPHRVXHCAQ-UHFFFAOYSA-N 472.364 3.625 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1 12503507 OTCQUPRMELKYCD-DTQAZKPQSA-N 460.559 3.927 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 13621145 CAKOJOTXYOHKDO-VKUYVZBCSA-N 482.389 3.895 50 10 JHGE COc1ccccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642207 LPMHDJRTNKKFPG-UHFFFAOYSA-N 485.334 3.730 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 14655765 KGXGJXZZFFWDON-UHFFFAOYSA-N 486.391 3.879 50 10 JHGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(Cc1cccc(Br)c1)c1ccccc12 20071544 BYMSSNFHYGUWBE-XMMPIXPASA-N 494.345 3.795 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-] 40584352 SNHDPJPBBXCWKT-UHFFFAOYSA-N 493.263 3.686 50 10 JHGE CCc1c(C)nc(SCC(=NNC(=O)c2ccc(O)cc2)c2cccc([N+](=O)[O-])c2)nc1O 254849812 XXNGKOFNVNONDP-UHFFFAOYSA-N 467.507 3.593 50 10 JHGE O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1OCc1ccc(F)cc1 731165490 XKRJDVLPWYEFIT-NRFANRHFSA-N 475.520 3.718 50 10 JHGE CC1CCN(C(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 782092608 HYAGAUWYBVTPFV-UYRXBGFRSA-N 465.941 3.826 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OC)c(I)c2)cc1 1084121983 MDZPTWPJKKOVME-SFHVURJKSA-N 482.318 3.662 50 10 JHGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3ccccc3OC(F)(F)F)c2C)C1=O 1219058875 AADNRWGZBCBOBQ-UHFFFAOYSA-N 451.405 3.831 50 10 JHGE C#CC[C@@]1(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1463690479 ABGWITMSJPLLMS-VWLOTQADSA-N 457.571 3.666 50 10 JHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccc(F)c(Br)c4)c(=O)c23)C1 1860773251 UGLNDWUNWQSSQU-CCOKCROXSA-N 477.359 3.635 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc(OC)c1OC 1865691968 GMEGAYUVOAYRCK-NRFANRHFSA-N 450.470 3.623 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1cc(Br)ccc1O 1865695487 DKBUJOBMPGKCAX-AWEZNQCLSA-N 478.228 3.972 50 10 JHGE COC(=O)c1cc(Br)cc(Br)c1NC(=O)[C@H]1C[C@@H]1Br 1887725992 WCOBJCXODAPKBJ-XPUUQOCRSA-N 455.928 3.720 50 10 JHGE CN(C)S(=O)(=O)C[C@@H](Br)c1csc(Br)c1Br 1937734678 NOJWSXZTFIUVOJ-ZCFIWIBFSA-N 456.019 3.601 50 10 JHGE BrC[C@@H]1[C@H]2CCN(c3ncc(I)cc3Br)C[C@@H]21 2015768523 UTIBEYSBLIHTJJ-BBBLOLIVSA-N 471.962 3.916 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC=C[C@H](Br)C1 2046504550 UOSBVBKNCTWOAX-VIFPVBQESA-N 459.985 3.536 50 10 JHGE O=C(c1cc(I)sn1)N(CCBr)Cc1cccs1 2056501754 XPESOFPIIXQWRL-UHFFFAOYSA-N 457.156 3.847 50 10 JHGE Cc1cc(I)c(I)c(C(=O)CBr)c1 2060164380 GTDVJDYLAGTJFP-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE CC1(C)[C@@H](CBr)OCCN1C(=O)c1ccc(I)c(Cl)c1 2159641210 VPGIXMYDGNXYPQ-GFCCVEGCSA-N 472.548 3.959 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1ccc(CCBr)s1)C2 2179819192 JIHIMCBWZCTPEX-XLIONFOSSA-N 469.470 3.828 50 10 JHGE CCCOc1ccc(-c2c(C(=O)NN=CC(C)=Cc3ccccc3)nnn2-c2nonc2N)cc1 2296260217 XZKLZBLLJJNVIU-UHFFFAOYSA-N 472.509 3.507 50 10 JHGE BrC[C@@H]1COCCN(Cc2ccc(I)c(Br)c2)C1 2325218252 MVAFGQNNKPWUCO-NSHDSACASA-N 488.989 3.897 50 10 JHGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12 2328796769 JEZFKJDLDXGGGZ-HNNXBMFYSA-N 468.963 3.616 50 10 JHGE Cc1ccc2[nH]c(C(=O)O)c(C=NNC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)c2c1 2328798525 DXMPZCNLZLZZRI-FQEVSTJZSA-N 464.522 3.761 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H]2[C@@H]1CBr 2332564557 RAFUVYLHPIHCBE-ZOFUNIGCSA-N 474.012 3.616 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2364196990 GXGGINNTPDRGCB-IAGOWNOFSA-N 497.455 3.668 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CCC[C@@]2(CBr)C1 2364202688 VQQVTIKXBWPLBN-VGOFRKELSA-N 497.455 3.670 50 10 JHGE COC[C@]1(CBr)C=CCN1C(=O)c1ccc(I)c(Cl)c1 2379851620 KSIVBDBPMMESHH-CQSZACIVSA-N 470.532 3.737 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=O)COc1ccc(-c2ccccc2)cc1 13981608 XIBHXROVALPIGB-UHFFFAOYSA-N 455.308 3.721 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14652746 KTTJOUZLUUCOKO-UHFFFAOYSA-N 460.328 3.661 50 10 JHGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 20831515 KPODGAHCBIHPRC-UHFFFAOYSA-N 473.986 3.785 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(Br)cc2)c(OC)c1 33678919 BFNNXGOBWNRYMO-WJDWOHSUSA-N 471.307 3.651 50 10 JHGE CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccc2c3c(cccc13)CC2 59464114 XLFAXFCSGLUJFQ-UVHMKAGCSA-N 475.492 3.874 50 10 JHGE 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)CSCCN=C=S 118939119 WTZZZLTVUGGSLC-MLPGVSIBSA-N 493.666 3.739 50 10 JHGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)/C=C\c2cc(Br)ccc2F)cc1 214656798 USGSIMGUDJCKOB-KPVYPLCOSA-N 451.292 3.615 50 10 JHGE N#C/C(=C/NCc1ccc(CO)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216509142 RHDCJUILIIFJBC-MEFGMAGPSA-N 466.585 3.610 50 10 JHGE C[C@H](Br)CCNC(=O)c1cc(Br)ccc1I 235387721 KIFZSGGLGPTTTK-ZETCQYMHSA-N 460.935 3.957 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1C(F)(F)F)c1cc(Cl)cc(Cl)c1 252637666 XVOGIYVHGAHQMP-UHFFFAOYSA-N 468.284 3.929 50 10 JHGE COc1cc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc(OC)c1OC 254393714 RUEACILCEOJKJW-SIYVUMQMSA-N 465.531 3.695 50 10 JHGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254481688 HOFYQMYOAWHTMZ-UHFFFAOYSA-N 481.508 3.948 50 10 JHGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1 254647189 VTIZAYMBDAOJCY-JLYYKKMBSA-N 457.490 3.582 50 10 JHGE COc1cc(C=NNC(=O)Cn2cnc3ccccc32)ccc1OCC(=O)Nc1ccc(C)cc1 254752510 NFEZDVMPYXUKQQ-UHFFFAOYSA-N 471.517 3.521 50 10 JHGE O=C(CBr)c1cc(F)c(I)cc1I 306521943 OFSQSBYGXZJJHL-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE C[C@@H](Cl)c1nc(N)nc(Nc2cc(Br)ccc2I)n1 311853995 WICOSWQUGQVBGR-RXMQYKEDSA-N 454.497 3.864 50 10 JHGE COc1ccc(-c2cc(C(=O)NNC(=O)Cn3ncc4ccccc43)c3ccccc3n2)cc1OC 730515498 NGWARRRNNCVKDX-UHFFFAOYSA-N 481.512 3.730 50 10 JHGE C=CCn1c(S[C@H](C)C(=O)NNC(=O)CC)nc2sc(-c3ccccc3)c(C)c2c1=O 1472970538 DWTOQGUIYIVGKT-CQSZACIVSA-N 456.593 3.657 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)c1 1558199669 KOFNDYYHEVHSDQ-UHFFFAOYSA-N 453.955 3.697 50 10 JHGE Cc1ccc(CCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858957962 APAXNQSSOFNWBB-UHFFFAOYSA-N 497.529 3.630 50 10 JHGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(OC)c(OC)cc1OC 1865712379 WWOORLWFKDVBAN-OAQYLSRUSA-N 462.506 3.823 50 10 JHGE Cc1ccc(SCCCC(=O)NNC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)cc1 1865755947 YGIQBEISZRRUFG-UHFFFAOYSA-N 453.564 3.723 50 10 JHGE COc1cc(C(=O)NNC(=S)c2cccc(Cl)c2)c(Br)c(OC)c1OC 1865845575 HDPZHTFSCSVHQF-UHFFFAOYSA-N 459.749 3.738 50 10 JHGE CSCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867171247 OXEIRLAMPASJEV-SFHVURJKSA-N 480.619 3.979 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)C1 1877584239 BPKWJAOGSLNCGH-BJQMUKLKSA-N 451.427 3.868 50 10 JHGE CC[C@@H](Br)CN(Cc1ccccc1)c1ncnc(O)c1I 1915097918 ADNPPFJMUYPCJX-GFCCVEGCSA-N 462.129 3.967 50 10 JHGE CN1CC[C@H]([C@@H](Br)c2cc(Br)c(Br)s2)S1(=O)=O 1941948552 QAOTYXDHYSIEGD-SFYZADRCSA-N 468.030 3.743 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC[C@H](Br)C1 1995286276 RAUSXCMRCBMVPC-QMMMGPOBSA-N 458.919 3.663 50 10 JHGE C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 2010826717 GMVHLGRLIDCCPF-IRXDYDNUSA-N 479.709 3.897 50 10 JHGE CN1CC[C@H]([C@@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2029047704 VEMWXVCBJZJUDS-MNOVXSKESA-N 462.001 3.682 50 10 JHGE CC(C)(C)[C@@H](CCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233624 VMHHXVABKUVYQC-QGZVFWFLSA-N 473.433 3.572 50 10 JHGE COCCOC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(I)cc2)c1C 2042445952 JACAOFORWFNTAZ-UHFFFAOYSA-N 450.276 3.795 50 10 JHGE C[C@H](C(=O)CC(=O)OCc1ccc([N+](=O)[O-])cc1)[C@@H]1NC(=O)[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C 2080725603 ANRSPPUCDKCRMR-UFNANVBGSA-N 478.618 3.758 50 10 JHGE Cc1nc(I)c(I)n1-c1nc2ccccn2c1CCl 2088992697 NJKHAWNRACHGLH-UHFFFAOYSA-N 498.493 3.776 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CCC(Cl)CC2)C1 2156001120 OJJWNVMZCUCXQX-UHFFFAOYSA-N 453.004 3.512 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)N2CCC(Br)CC2)[C@H](C(F)(F)F)C1 2163269101 HFYZHZGCNMCQMJ-WCQYABFASA-N 458.319 3.601 50 10 JHGE CC(C)(C)OC(=O)NCc1ccc(Cl)cc1NS(=O)(=O)N1CCC(Br)CC1 2283996770 WUGZHTHTZKGQRZ-UHFFFAOYSA-N 482.828 3.881 50 10 JHGE O=C(NN=CC=Cc1ccc([N+](=O)[O-])cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293972414 PAQMUEGKLJUSJK-UHFFFAOYSA-N 484.468 3.910 50 10 JHGE CCc1cnn(CCO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C)c1 2322611321 GPMRCAVOZPNNHL-SFHVURJKSA-N 465.376 3.913 50 10 JHGE CC1(C)[C@H](Br)CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338849044 CPCRXTMVWNRHHD-GOSISDBHSA-N 485.444 3.811 50 10 JHGE CC(C)[C@@H]1C[C@H](Br)CN1C(=O)c1c(Br)c(Br)nn1C 2344603481 LYHANTOJLTUYAF-YUMQZZPRSA-N 457.992 3.579 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 14021694 XFPJIOOVAWUUPC-UHFFFAOYSA-N 462.502 3.526 50 10 JHGE CCCCCCc1cc2cc(/C(N)=N\NC(=O)c3cccc([N+](=O)[O-])c3)c(=O)oc2cc1O 27496690 DGMQGKCNGBASBF-UHFFFAOYSA-N 452.467 3.580 50 10 JHGE biogenic Cc1cccc2sc(Nc3ncnc(NNC(=O)Cc4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])nc12 40650423 SKOCZXHKUCAKPC-UHFFFAOYSA-N 480.466 3.641 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1 58894914 VDMDKNZTZRCUOZ-WEPUMBSASA-N 478.929 3.565 50 10 JHGE O=C(c1cc(Br)ccc1I)N(CCCl)CC(F)F 236266671 XNJMICURJOEVDC-UHFFFAOYSA-N 452.464 4.000 50 10 JHGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1cc(I)cc2c1OCC2 312244202 AWSZNSQVWYOJPR-QWHCGFSZSA-N 471.154 3.629 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ncccc2Br)C1 312711601 QKUFQAHJJMJFQL-JTQLQIEISA-N 490.055 3.598 50 10 JHGE O=C(NN=Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1O 1080085981 IVAXHHKHQYMAAQ-UHFFFAOYSA-N 475.320 3.686 50 10 JHGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084303256 QGPPMJWCZUGRGE-UHFFFAOYSA-N 464.865 3.694 50 10 JHGE C=C[C@](C)(CCOC)C(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 1135584642 FHODQNIRZXRNND-HHHXNRCGSA-N 457.530 3.990 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720569 RGSOGMDEUZLLCF-UHFFFAOYSA-N 464.474 3.791 50 10 JHGE CCOC(=O)Cc1nc(I)cc(OC(F)(F)F)c1CBr 1848387834 ZODFJHABKBTSJC-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752414 BCTWXNJQKUWLIY-VKAVYKQESA-N 490.453 3.926 50 10 JHGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1c(Br)cnn1C 1915112516 APUDOPOHAQHFAI-GFCCVEGCSA-N 465.211 3.547 50 10 JHGE O=C(c1csc(I)c1)N1CC[C@H](CBr)C(F)(F)C1 2029708960 PQRGFRKTJCWQTQ-MRVPVSSYSA-N 450.086 3.845 50 10 JHGE CCOC(=O)c1cc(I)c(CBr)cc1I 2055237576 BVJSZPIRBLESQM-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE CC1(C)[C@@H](CBr)OCCN1c1ncc(I)cc1Br 2069536747 ZTVDRBVKVNYKMV-SNVBAGLBSA-N 489.977 3.827 50 10 JHGE O=S(=O)(NCC1CC(Br)C1)c1ccc(Br)cc1Br 2076162458 HGSCNYYBLSOLBK-UHFFFAOYSA-N 462.001 3.663 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CCS[C@H](CCl)C1 2086139706 SAXCBLGTGQIWJV-SECBINFHSA-N 460.562 3.850 50 10 JHGE CN1CCC[C@H]([C@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2142285273 NQSHTKRFPZHYAM-VXGBXAGGSA-N 478.577 3.758 50 10 JHGE CN([C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)c1occc1CBr 2179826435 RXLAFRYLBQXBFJ-REPLKXPHSA-N 453.402 3.991 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CC[C@]2(C[C@H](Br)CO2)C1 2201751036 MTIXGSWMGMHJSG-XPTSAGLGSA-N 467.983 3.980 50 10 JHGE CN([C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)S(=O)(=O)c1ccc(CBr)cc1 2289912114 GESIKNRHPFPZFQ-INIZCTEOSA-N 461.422 3.848 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2)c(Br)c1 2313630137 NMQFKRSYWRRLTM-UHFFFAOYSA-N 490.423 3.861 50 10 JHGE CCN([C@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843297 RJQPUPPILMYKDC-OALUTQOASA-N 485.444 3.811 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCCCC[C@@H]1Br 2338860034 IVHMOEKFPAICIR-YUMQZZPRSA-N 457.992 3.771 50 10 JHGE Cc1cc(C)cc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 12403479 NDJKJGKANOFZIC-UHFFFAOYSA-N 463.372 3.969 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1C 14654042 NNBXXJJRBYUADF-UHFFFAOYSA-N 494.411 3.569 50 10 JHGE Nn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 58987382 NVCXWUOCTSTPTO-WPWMEQJKSA-N 472.574 3.812 50 10 JHGE COc1ccc(N2C(=O)/C(=C/c3ccco3)N=C2SCC(=O)/C(C#N)=C(\C)N)cc1Cl 104366481 FOCGLRMFTHDQLB-NDVQZPHWSA-N 456.911 3.744 50 10 JHGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)c1C 108785880 FRIBFECBLMGBSB-KRWDZBQOSA-N 464.484 3.985 50 10 JHGE O=C(/C=C\c1ccc(-c2ccc(Br)cc2)s1)NNC(=O)c1ccc(-n2cnnn2)cc1 212604123 JQIFVKKBYNOSJZ-BENRWUELSA-N 495.362 3.628 50 10 JHGE COc1ccc(-n2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4F)cc3)n2)cc1 254509991 RYOGPQWKJPQCCB-UHFFFAOYSA-N 492.536 3.631 50 10 JHGE COc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 254851174 HTHMVIOPCHMNFP-UHFFFAOYSA-N 463.446 3.660 50 10 JHGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)Cn3ccc(C(F)(F)F)n3)c2C)cc1 263631220 GVTMZMKFJQYAPI-UHFFFAOYSA-N 461.444 3.636 50 10 JHGE C[C@@H]1CO[C@H](CCl)CN1C(=O)c1ccc(I)c(Br)c1 721619123 KZFFSGFSUDYYRV-PSASIEDQSA-N 458.521 3.522 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2cc(C)cc(C)c2)cc1 730551879 CAQFFTUXAUBMJN-KWJZBXMYSA-N 471.561 3.835 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 746180913 QKDIXJDFZZEQRZ-UHFFFAOYSA-N 469.313 3.555 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2cccc(Cl)c2Cl)cc1 920853035 GMUVKWVPECNMSA-BOPFTXTBSA-N 498.370 3.964 50 10 JHGE C[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H]1CNC(=O)OC(C)(C)C 1260505311 ZMEFOEBAAXWUJY-HOCLYGCPSA-N 461.422 3.753 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)cc1 1672602819 LKOVZYUEUYVJTN-UONOGXRCSA-N 453.417 3.839 50 10 JHGE COc1ccc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866772182 QWSPXNCTJDQMRR-RTWAWAEBSA-N 455.580 3.822 50 10 JHGE C[C@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867084707 DYYOEGDHUQPVAF-KRWDZBQOSA-N 483.594 3.925 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H](N)Cc2ccccc2)cc1C 1873793767 XFIWOTXAXVAGPF-ZCGOLBPFSA-N 453.546 3.876 50 10 JHGE O=C(Cc1ccccc1I)N[C@H](CCBr)C(F)(F)F 1918587493 WRVJHAWTBIRZEP-SNVBAGLBSA-N 450.036 3.666 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N1CC=C(Br)CC1 2059265365 UNWKJOMYFMMDBF-UHFFFAOYSA-N 463.973 3.610 50 10 JHGE O=C(c1ccc(I)cc1)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2163353298 NEWZJZGYDVAWBW-GXSJLCMTSA-N 462.047 3.937 50 10 JHGE COc1ccc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)cc1CBr 2179857885 GIBMHSBPMRONLX-UHFFFAOYSA-N 454.386 3.960 50 10 JHGE O=C(N[C@H]1CC[C@H]1CBr)c1cc(Br)ccc1I 2213318520 OWUXKIAIMJFQMS-CPCISQLKSA-N 472.946 3.957 50 10 JHGE COc1cc([C@H](Br)c2nn(C)nc2Br)c(OC)cc1Br 2235270000 QHEONWWRHHVMBF-JTQLQIEISA-N 469.959 3.842 50 10 JHGE C[C@@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1Cc1ccccc1 2306408762 NJKHVAZBQRFITE-VGOFRKELSA-N 469.673 3.600 50 10 JHGE CN1CCN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2325207525 QDAULKYOQBRAHL-LLVKDONJSA-N 488.005 3.565 50 10 JHGE Clc1ccc(CN2C[C@@H]3COC[C@]3(CBr)C2)cc1I 2337217769 ATAOKVMHBZEQBQ-RISCZKNCSA-N 456.549 3.788 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](NCC2CC(Br)C2)(C(=O)O)[C@H]1C(F)(F)F 2377466268 YTHOFZFOUMOGII-MDWCYXOMSA-N 459.303 3.535 50 10 JHGE O=C(CCC(=O)OCCc1ccccc1)NNC(=O)COc1ccc2ccccc2c1Br 14010896 PZZYWTYCZMFEBQ-UHFFFAOYSA-N 499.361 3.695 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 38654687 UGROJTOUVJBBKG-XMMPIXPASA-N 473.441 3.806 50 10 JHGE Cc1c(C(=O)NC2CCCCC2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814580 PIVGKHNTIGNKPW-LGUFXXKBSA-N 452.511 3.958 50 10 JHGE CCCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1cccc(Br)c1 48571867 DTLKRGJLVSADSD-FOKLQQMPSA-N 497.187 3.881 50 10 JHGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1 59878133 LZWRJEISBYSJDO-OAHLLOKOSA-N 473.002 3.817 50 10 JHGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 1084529845 GAVHDGNIYFEEMZ-UHFFFAOYSA-N 486.937 3.978 50 10 JHGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNc2cccc(F)c2Br)cc1 1214687182 OGGIQXUVXLAUFB-UHFFFAOYSA-N 457.325 3.543 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CSC2(C1)CN(C(=O)OC(C)(C)C)C2 1254690545 JOBXWSAMZLXNDN-HNNXBMFYSA-N 479.734 3.977 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2cccc(Cl)c2Cl)cc1 1457855835 SRNFUZAGXXBWTQ-UHFFFAOYSA-N 458.367 3.740 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772747485 MJQMPYYFNUQNMR-UHFFFAOYSA-N 496.436 3.533 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1O 1865706124 ODIDDSSBPIBZFX-IBGZPJMESA-N 453.296 3.876 50 10 JHGE CN(C[C@H](Cl)COCc1ccccc1)C(=O)c1ccc(I)c(O)c1 1916353899 HEQTVUHOFBMDFO-HNNXBMFYSA-N 459.711 3.893 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2C[C@]23CCOC3)CC1 2021276676 LQLGAOLGMLLIRL-YOEHRIQHSA-N 451.345 3.634 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@@]2(CBr)C1 2086139347 NLLAQKJINZXBNU-ISVAXAHUSA-N 484.957 3.911 50 10 JHGE Clc1cc(CN2C[C@H]3COC[C@@H](C2)C3Br)ccc1I 2142951192 XYJURIXFPBUVHB-BVUQATHDSA-N 456.549 3.786 50 10 JHGE C[C@@H](Br)[C@@H]1CN(c2ncc(C(F)(F)F)cc2I)CCO1 2174154884 ZGJRPAHQWVAEMS-XCBNKYQSSA-N 465.051 3.694 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(Cl)cc1CBr 2216993137 CWPTZUSPYSVFHZ-UHFFFAOYSA-N 471.760 3.663 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295317594 PAOOBNCJDKOAFA-CQSZACIVSA-N 469.999 3.767 50 10 JHGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)cc1 2296541944 SBYKMWIPXBUGGY-UHFFFAOYSA-N 459.483 3.834 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)C=Cc4ccc(Cl)cc4)c(=O)c23)cc1 2325894545 USCCGIHRVKXSIA-UHFFFAOYSA-N 478.961 3.948 50 10 JHGE C[C@](NC[C@H]1C[C@H]1Br)(C(=O)O)c1cc(Br)c(Br)s1 2326181845 OTDOKVDZXJVWJZ-WHHMAUIRSA-N 462.001 3.946 50 10 JHGE O=C(c1cc(I)sn1)N1[C@H]2CCCC[C@H]2C[C@@H]1CBr 2333976559 LGXRZWWVNGEHGC-NGZCFLSTSA-N 455.159 3.916 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1ncc(Br)cc1Cl 2361666744 IZVOOCUPYSWLSJ-UHFFFAOYSA-N 489.432 3.933 50 10 JHGE CN(C[C@H](Br)C1CCCC1)C(=O)c1c(Br)c(Br)nn1C 2364023521 BVYHVFAWQGTXBB-VIFPVBQESA-N 472.019 3.971 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)c2ccccc2Br)c(Br)c1 13977603 JHSCJVWQZYMSLM-UHFFFAOYSA-N 456.134 3.614 50 10 JHGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1N1CCN(c2ccccc2F)CC1 40793471 UIGPCMXUJZHLRW-UHFFFAOYSA-N 476.343 3.588 50 10 JHGE O=C(NNC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1ccc(Br)s1 107577278 RZDHRYULJJKKAB-SNVBAGLBSA-N 477.306 3.602 50 10 JHGE CC[C@H](CBr)NC(=O)c1cc(Br)ccc1I 234002805 MFZCPNIYEVFCIL-MRVPVSSYSA-N 460.935 3.957 50 10 JHGE Cc1nn(-c2ccccc2)c2nc(-c3cccnc3)cc(C(=O)NN=C3C(=O)N(C)c4ccccc43)c12 254825368 FFYYHXHANJBNNL-UHFFFAOYSA-N 487.523 3.901 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2cc(Cl)ccc2I)C1 311500269 FCGHJRNMXVTJQD-VHSXEESVSA-N 458.521 3.569 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(c2ncc(C(F)(F)F)cc2I)C1 686111359 MKFIEPYGWCNWGR-DTWKUNHWSA-N 465.051 3.694 50 10 JHGE O=C(NC[C@]1(CCl)CCCOC1)c1cc(I)ccc1Br 700897359 NAVGLOFNFVFRKF-CQSZACIVSA-N 472.548 3.819 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)C12CC3CC(CC(C3)C1)C2 1084056453 MPPVDSZPLVPLSU-UHFFFAOYSA-N 466.498 3.972 50 10 JHGE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNC(=O)c2ccc(F)cc2)C1 1084189052 MZNFASXCGNFWCK-SFHVURJKSA-N 469.517 3.583 50 10 JHGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 1084387167 LELVOBSTDWLVMN-UHFFFAOYSA-N 484.753 3.603 50 10 JHGE CC(=O)N[C@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(Br)c1 1623408459 AERVADLNVOLBDB-INIZCTEOSA-N 455.234 3.660 50 10 JHGE O=C(COc1ccc(O)cc1)NN=Cc1sc(=O)n(Cc2ccc(Br)cc2)c1Cl 1772719907 PYJVBUAVPNLGJV-UHFFFAOYSA-N 496.770 3.609 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771243 OFXHANLOFPEHRI-DLBZAZTESA-N 466.607 3.623 50 10 JHGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 1873920482 GPNRPNBYTXBWLS-SDXDJHTJSA-N 492.469 3.824 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCCC2(CCC2)[C@@H]1Cl 1924818335 OSEKDNBGHOZPOF-VQIMIIECSA-N 453.004 3.560 50 10 JHGE O=S(=O)(c1occc1CBr)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179832281 IXZJZVYLXNOKQP-FQEVSTJZSA-N 453.402 3.851 50 10 JHGE Cn1ncc(I)c1Cn1c(CCl)nc2c(Br)cccc21 2189871923 NMWJGOXLVXPJGS-UHFFFAOYSA-N 465.520 3.924 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2[C@H](C(F)F)[C@@H]2C1 2192276810 APFWIFUMCHPWRJ-SRSLHRDFSA-N 451.152 3.537 50 10 JHGE O=S(=O)(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1cscc1Br 2192575630 IKDGSKWJYFKZOX-BDAKNGLRSA-N 457.131 3.752 50 10 JHGE CC(C)(C)OC(=O)N1CCc2nc(NS(=O)(=O)CCC(CCl)CCl)sc2C1 2198511643 ZUMCZDHQVVUMDL-UHFFFAOYSA-N 458.433 3.662 50 10 JHGE C[C@@]1(CBr)COCCN(C(=O)c2ccc(I)c(Cl)c2)C1 2199824904 JCODOSYCFQLDCW-AWEZNQCLSA-N 472.548 3.818 50 10 JHGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@@H]1CCN(Cc2ccccc2)C1 2242049234 JUEUYIHGGFRPLY-YLJYHZDGSA-N 474.383 3.996 50 10 JHGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1ccc(Cl)c(I)c1 2283665101 UFBYLVZCBLRXHF-KOLCDFICSA-N 472.548 3.865 50 10 JHGE CCOc1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(O)c1 2295489499 VKLRVMYGIFVEIT-UHFFFAOYSA-N 472.545 3.778 50 10 JHGE CCOCCCNC(=O)C(C#N)=Cc1c(Oc2ccc(CC)cc2)nc2c(C)cccn2c1=O 2296542754 JAPGBXIPGMMDPC-UHFFFAOYSA-N 460.534 3.807 50 10 JHGE CCN(CCOCCI)[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C 2306802895 SWFGJPBRBZTFAX-JKSUJKDBSA-N 454.393 3.843 50 10 JHGE Clc1ccc(CN2C[C@H]3COC[C@@H](C2)C3Br)cc1I 2337228827 BOQUYMKWPGNSEA-BVUQATHDSA-N 456.549 3.786 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 10283810 XFLBKBWACQQCBK-KRWDZBQOSA-N 457.596 3.949 50 10 JHGE COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC 18200247 PESKOJIQMWFPLC-OYLFLEFRSA-N 492.528 3.938 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC(=O)OC 58891979 AZGKQIZRJHVFIJ-PUDRWSQFSA-N 489.366 3.693 50 10 JHGE COc1ccc(C(=O)NC2=N/C(=C(\C#N)C(=O)NC3CCCCC3)c3ccccc32)cc1OC 102673781 JFSNABFBYXHJMG-BSYVCWPDSA-N 458.518 3.578 50 10 JHGE NNC(=O)c1ccoc1COc1c(Br)cc(Br)cc1Br 111611075 RGJFQDVWZVKWLU-UHFFFAOYSA-N 468.927 3.750 50 10 JHGE C/C(NNC(=O)c1cccnc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 205953443 DZMOOVPWVDMKIN-HMMYKYKNSA-N 454.515 3.651 50 10 JHGE CCOC(=O)N1C(=O)C(=NNC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)c2ccccc21 254395806 YEUVQFITFGIYEX-UHFFFAOYSA-N 474.448 3.715 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccco3)nc3ccccc3c2=O)cc1 254578860 XHTFSDQZKLVXPE-QBSWHLQBSA-N 460.515 3.895 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254791331 HTQMHONCMOVXLQ-UHFFFAOYSA-N 491.456 3.748 50 10 JHGE CC(C)c1ncc(-n2cnc(I)c2I)c(CCl)n1 385570965 XHCQNXJKKRAYMK-UHFFFAOYSA-N 488.498 3.734 50 10 JHGE Cn1ncc(CC(CBr)(CBr)c2ccc(Br)cc2)n1 388674155 DBSZEPAKEMOYRU-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)c2scc(Br)c2Br)C1 705445672 ADYVOSTVIPAOQW-NSHDSACASA-N 462.001 3.899 50 10 JHGE Cn1cc(C(=O)NNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c2ccccc21 729303842 ZFSLCLKYKHFKEL-HXUWFJFHSA-N 450.539 3.986 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H](C)c2cc(C)cc(C)c2)cc1 730551883 CAQFFTUXAUBMJN-VZMFNRANSA-N 471.561 3.835 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3ccccc3)cc2)cc1 1858667191 MDMKQQPHOYCCST-UHFFFAOYSA-N 480.571 3.629 50 10 JHGE O=C(NC[C@@]1(CBr)CCCO1)c1cc(Br)cc(Br)c1 1879605655 UYMYPRDENQVRKC-ZDUSSCGKSA-N 455.972 3.886 50 10 JHGE CO[C@H]1C[C@@](CCl)(NC(=O)c2cc(I)ccc2Br)C1 1899854131 AMUOAVCVWIGTDY-SWZMTVOYSA-N 458.521 3.570 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1ccc(Br)cc1Br 2178907026 NMAMPPMXDGKCSE-WDEREUQCSA-N 469.015 3.751 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)Cc2cccc(CBr)c2)C1 2179776288 SQHBFYSFOHQBTA-GOSISDBHSA-N 451.430 3.865 50 10 JHGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2cc(CBr)ccn2)C1 2179807870 AENKRUAVSRABBN-LJQANCHMSA-N 452.418 3.652 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CCCC[C@@]2(CBr)C1 2238799480 INBGFYKKFKZYPW-HTAPYJJXSA-N 497.455 3.670 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@@H]2OCC[C@]2(CBr)C1 2296378093 OGYHMEQHTZZOBE-JSGCOSHPSA-N 470.532 3.571 50 10 JHGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C(C)=C(C#N)C1=O 2314619729 DHKNXGVFGVXPRC-UHFFFAOYSA-N 468.893 3.772 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2364213615 HYEOYWKQQOXEBL-QKLQHJQFSA-N 497.455 3.811 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2[C@H](C)CC)cc1 9874129 LFSGDPHJGKUXKO-QZTJIDSGSA-N 456.539 3.761 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccccc1C(N)=O 20258641 RYILJAQDZORPQV-LDADJPATSA-N 485.496 3.690 50 10 JHGE O=C(NC(/N=C1\NC[C@H](CBr)S1)(C(F)(F)F)C(F)(F)F)c1ccccc1 20509093 JGXAVOPZLVLUIZ-VIFPVBQESA-N 464.229 3.693 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38683309 CGUJUJLZFNXYKK-RUZDIDTESA-N 470.481 3.984 50 10 JHGE Cn1nc2c(c1NC(=O)NC[C@@]1(C)C[C@H](N=C=O)CC(C)(C)C1)CN(C(=O)OC(C)(C)C)CC2 170290799 FFSVUTAUOINROS-GYCJOSAFSA-N 474.606 3.756 50 10 JHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)NC[C@@H]1CCCO1 210034712 JGPJLCYAJALBQK-QUYTYNJFSA-N 456.502 3.513 50 10 JHGE COCCN(CCBr)C(=O)c1cc(Br)ccc1I 234754924 XJVNIXHRWISXPD-UHFFFAOYSA-N 490.961 3.537 50 10 JHGE O=C(CBr)c1ccc(I)c(I)c1F 306660141 QAFOPDWOTIUQSG-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE C[C@H](Cl)Cc1cn(-c2cc(I)cc(I)c2)nn1 709277544 TXMZBUXCZAVIPA-ZETCQYMHSA-N 473.483 3.646 50 10 JHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(F)cc2)c2ccccc2)cc1 1084431770 GNKPVRUVWUXTDF-UHFFFAOYSA-N 455.511 3.570 50 10 JHGE O=C1[C@H]2[C@H](C(=O)N1CC#CCCl)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 1614664941 BFUUQTVOSRVARH-OHWVOJQTSA-N 456.367 3.675 50 10 JHGE C=CCNC(=S)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 1628566357 SHKJMAGYZFHPOB-UHFFFAOYSA-N 457.559 3.996 50 10 JHGE C=C(C)[C@H](NC(=O)NNC(=O)COc1ccc(Br)cc1)c1ccc(F)c(F)c1 1671852319 VYHGWLGAFGJWIU-SFHVURJKSA-N 454.271 3.754 50 10 JHGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)c1ccccc1S(=O)(=O)CC(C)C 1865759627 KBVFFTVYHOMGFN-UHFFFAOYSA-N 487.528 3.840 50 10 JHGE COCc1ccc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)s1 1902478399 RCCWQBBMJSHHDK-KGLIPLIRSA-N 453.342 3.834 50 10 JHGE O=C(CCl)Nc1cc(Br)c(I)c(Br)c1 1931649338 IIVWBEAEOHTQQN-UHFFFAOYSA-N 453.299 3.994 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H]2CBr)cc1Br 2031685252 ZMLGZFLCAKWZHX-QMMMGPOBSA-N 462.001 3.678 50 10 JHGE CN(C)C[C@@H](Br)CN(C)C(=O)c1csc(Br)c1Br 2032955969 IOGNVYYHRDHDRT-SSDOTTSWSA-N 463.033 3.670 50 10 JHGE COc1cc(C=C2SC(=NNC(=O)c3ccncc3)NC2=O)ccc1OCc1ccc(F)cc1 2040482029 GJFBOUGXMQMNNS-UHFFFAOYSA-N 478.505 3.713 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@H]2COC[C@@H](C1)C2Br 2111477001 TVQQSIYMAWAFAG-AVSFMBPQSA-N 474.012 3.755 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CCCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163053080 KGEJQKXDKFRXNY-MRXNPFEDSA-N 461.422 3.897 50 10 JHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)cc(B(O)O)c1 2268642515 FPWGYFBWGSHYNR-WXTAPIANSA-N 486.377 3.567 50 10 JHGE COc1cc(C=CC(=O)NN)cc(I)c1OCc1ccc(F)cc1Cl 2293940897 LLTZBKLQNDXZCO-UHFFFAOYSA-N 476.673 3.674 50 10 JHGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C(C)C)cc1 2294347140 IOWHVXRTEAYHMM-QFIPXVFZSA-N 498.070 3.618 50 10 JHGE COC(=O)C(C#N)=Cc1cccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 2314760063 DMNDEPJKRNTPNX-DEOSSOPVSA-N 480.476 3.579 50 10 JHGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 2314760700 YDZHVGPOELAACC-RUZDIDTESA-N 494.503 3.970 50 10 JHGE CC(C)[C@@H](CBr)N(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2318875207 LGJCIMWUELGIDU-GOSISDBHSA-N 473.433 3.524 50 10 JHGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)c1 10671856 DIZDTCJCGKDPAP-CYBMUJFWSA-N 464.385 3.884 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1 12502882 VDIWRIULHZVKOT-JTQLQIEISA-N 476.769 3.515 50 10 JHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14039079 LUKYEBRDSDNHFL-UHFFFAOYSA-N 482.606 3.942 50 10 JHGE Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 33497407 QBSGBFNEVJQGSZ-YVLHZVERSA-N 460.446 3.914 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813093 FXEFZMSTVTWKHZ-OVVQPSECSA-N 490.472 3.990 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 41015098 IFNRESJJBCBXTP-KGENOOAVSA-N 478.545 3.877 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)c2cccc(Br)c2)c1C 59151819 WIIKPZZVAUMRLN-SSDVNMTOSA-N 472.299 3.932 50 10 JHGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3ccccc3C)c3ccccc23)C1 254291196 WABYCOZYDHJFNL-OAQYLSRUSA-N 466.607 3.510 50 10 JHGE CCOc1cc(C=NNC(=O)c2cccnc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254741916 QHZNCPJZJDAJAZ-UHFFFAOYSA-N 451.395 3.853 50 10 JHGE COc1ccc(C(=O)NN=c2oc3c(OC)cccc3cc2C(=O)NCc2ccccc2)cc1 254772712 DGUVFHKIOIRGJE-UHFFFAOYSA-N 457.486 3.626 50 10 JHGE Cc1ccc(OCC(=O)NN=C2C(=O)N(CCOc3ccc(Cl)cc3)c3ccccc32)cc1 254814183 BESJOBNZQIRWNT-UHFFFAOYSA-N 463.921 3.973 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCN2C[C@@H](Br)C[C@@H]2C1 405290351 ZQFXVANELXNUKT-WDEREUQCSA-N 466.999 3.505 50 10 JHGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(OC2CSC2)c1 1084254486 CNQPSJOGNCLYNT-UHFFFAOYSA-N 481.599 3.526 50 10 JHGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(OC)c1 1084568855 NVXUXHQVAQDKIX-UHFFFAOYSA-N 474.546 3.589 50 10 JHGE Cc1ccc(-c2nnc(CCC(=O)NNC(=O)COc3ccccc3Cc3ccccc3)o2)cc1 1086910727 YBDQYPJHGDNGCR-UHFFFAOYSA-N 470.529 3.795 50 10 JHGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCN(C)CC5)c(C)c43)coc2c1 1772751394 AVSHDFWWNWJRJB-UHFFFAOYSA-N 476.577 3.738 50 10 JHGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccccc3OC)nc2C)cc1OC 1865760094 GBIWKZGBHDCSPM-RVDMUPIBSA-N 461.518 3.947 50 10 JHGE COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867100409 SJSAFAXXZUIWDC-ZDUSSCGKSA-N 453.499 3.565 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1C[C@H](F)[C@@H](Br)C1 1888470879 VXLOZEYMTIPXSC-RCOVLWMOSA-N 455.958 3.862 50 10 JHGE COC(=O)[C@H](Br)CNc1ccc(Cl)c(I)c1Cl 1945187992 MWPOHGGNXXOTSY-RXMQYKEDSA-N 452.901 3.946 50 10 JHGE Brc1cc(I)cnc1N1C[C@H]2C[C@H]1C[C@@H]2Br 1988533588 XUUQOKPJUUESRO-YEPSODPASA-N 457.935 3.811 50 10 JHGE CN1CC[C@@H]([C@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2029047706 VEMWXVCBJZJUDS-WDEREUQCSA-N 462.001 3.682 50 10 JHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(CCl)c2)CCN1C(=O)OC(C)(C)C 2044692952 FYTWBBOQMJQSPE-UHFFFAOYSA-N 490.022 3.819 50 10 JHGE C[C@@H](CBr)N1CCN(C(=O)c2c(Br)cccc2Br)CC1 2169367228 WHPVXXZTWXPAEG-JTQLQIEISA-N 469.015 3.753 50 10 JHGE O=S(=O)(c1cc(CBr)cc(F)c1F)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179858799 UCQWMZQVYMNVNP-CVEARBPZSA-N 457.340 3.507 50 10 JHGE O=S(=O)(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)c1ccc(Br)s1 2192574590 CFPHBGJJNAJZAI-MUWHJKNJSA-N 457.131 3.752 50 10 JHGE CN(CC1CC(Br)C1)S(=O)(=O)c1c(N)cc(Br)cc1Br 2196927164 BWFWCEMIKXCZMF-UHFFFAOYSA-N 491.043 3.588 50 10 JHGE O=S(=O)(Cc1ccsc1Br)NC1(CCBr)CCSCC1 2234486570 HAZHKXNVRQYOAN-UHFFFAOYSA-N 463.282 3.981 50 10 JHGE CCn1cc(Br)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)n1 2303539802 OZEJAVMUAPKQFV-AWEZNQCLSA-N 459.182 3.766 50 10 JHGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OCC)c1 2314735859 GYHKESLIMADTNU-UHFFFAOYSA-N 476.485 3.537 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCC[C@H]1CBr 2338848785 AGRVPEKQFXSWIE-IRXDYDNUSA-N 485.444 3.574 50 10 JHGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 3269339 ASAIBMVVGYFAIQ-VIZOYTHASA-N 451.435 3.767 50 10 JHGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1C 10154200 HCMOWSNBBSNASB-GOSISDBHSA-N 457.596 3.831 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(C)c(I)c2)c1 12493051 JWFMECFFHFQMGW-UHFFFAOYSA-N 466.319 3.871 50 10 JHGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cc(C)cc(C)c1 14032971 RJGYHALFMMDDFT-UHFFFAOYSA-N 457.596 3.977 50 10 JHGE Cc1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2O)c([N+](=O)[O-])c1 27519746 ZAXWAZGQAATCLV-GXHLCREISA-N 487.104 3.663 50 10 JHGE COc1ccc(/C(C)=N\NC(=O)[C@H](Cc2ccccc2)C(=O)N/N=C(\C)c2ccc(OC)cc2)cc1 250636280 FTGQVDLLESQXAQ-XLWKRTTKSA-N 486.572 3.943 50 10 JHGE biogenic CCn1c(SCC(=O)NN=Cc2ccc(O)cc2O)nnc1-c1ccc(C(C)(C)C)cc1 254520004 YRPPECXTGRDXBE-UHFFFAOYSA-N 453.568 3.916 50 10 JHGE CN(C)c1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 254685815 OYJBPVPTROXGMU-DYBOXTRGSA-N 455.562 3.740 50 10 JHGE ICc1cc(I)cc(CI)n1 307451120 RBWSOOPQKVWWLZ-UHFFFAOYSA-N 484.844 3.556 50 10 JHGE Cn1ncc([C@H](Cl)c2cc3nc(O)[nH]c3cc2Br)c1I 379219054 RTBNUMZFTIXUDZ-SNVBAGLBSA-N 467.492 3.697 50 10 JHGE COc1cccc(C(C)=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 725442930 DYHIHLRDKCBTLC-UHFFFAOYSA-N 469.538 3.878 50 10 JHGE Cn1c([C@H](NC(=O)NNC(=O)c2cccc3cccnc23)c2ccccc2)nc2ccccc21 726268495 LCWXOTYNTACHIJ-HSZRJFAPSA-N 450.502 3.855 50 10 JHGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccncc1 1084357467 SQXVUOOZDGXAJA-UHFFFAOYSA-N 453.271 3.664 50 10 JHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)Cc2ccccc2)cc1 1084481344 RWRLBJVALYSLLK-UHFFFAOYSA-N 489.956 3.829 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3ccc(F)cc3C)cc2)cc1 1631069159 VMJAKBYIMAYVCZ-UHFFFAOYSA-N 455.511 3.572 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)c2cc(C)c(CC)s2)nnc1-c1ccc(C)cc1 1652741280 BTICRAVXUMYZQB-UHFFFAOYSA-N 455.609 3.925 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1 1674502283 SPFINXALCSCDTP-MRXNPFEDSA-N 454.527 3.802 50 10 JHGE O=C(NNc1ccc(OCCOc2ccc(Cl)cc2)cc1)[C@@H]1CCCN1C(=O)C(F)(F)F 1858080940 YLDUZLVLAQNRPN-SFHVURJKSA-N 471.863 3.794 50 10 JHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc2c(c1)OCCO2 1865697748 ASXQKZGOJKPQHI-GOSISDBHSA-N 454.408 3.940 50 10 JHGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714354 IDQUVQIQKWKWDO-FQEVSTJZSA-N 450.470 3.574 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)[C@H](C)Oc4ccc(Cl)cc4)c(=O)c23)cc1 1865844852 ALOFQXYKNOGNKE-HNNXBMFYSA-N 496.976 3.702 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(OCC(C)C)cc3)c(=O)c2c1-c1ccccc1 1865852240 QBNMJIYMTPQMDR-UHFFFAOYSA-N 490.585 3.929 50 10 JHGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1cc(Br)cc(Br)c1 1878685075 VBXOESAMSKTSPI-BXKDBHETSA-N 455.972 3.741 50 10 JHGE O=C(NC[C@@]1(CBr)CCCO1)c1cc(Br)ccc1Br 1879605308 RGNCWZURLFICTR-ZDUSSCGKSA-N 455.972 3.886 50 10 JHGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1c(Br)cccc1Br 2101335971 VSLKVRRWMWEGOE-IUCAKERBSA-N 455.972 3.741 50 10 JHGE Cl[C@@H]1CN(c2ncc(I)cc2Br)C[C@]2(CCCO2)C1 2133381593 JVPQRCUNFSGDET-ZANVPECISA-N 457.537 3.815 50 10 JHGE CC(C)(C)OC(=O)NCC[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163055933 MRGGAOQFELOWAK-INIZCTEOSA-N 461.422 3.897 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)c1CBr 2187748191 NOVHUMJTXLOFAT-ROUUACIJSA-N 453.402 3.686 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2255847825 ZZYVFGHDVQVDMI-UHFFFAOYSA-N 488.506 3.683 50 10 JHGE C[C@H](Br)[C@@H](NC(=O)c1c(F)cccc1I)C(F)(F)F 2267676816 KPATZGGUWOTRJU-SSDLBLMSSA-N 453.999 3.874 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295315121 HRYXUQGKZIHUBZ-ZANVPECISA-N 469.999 3.765 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1[C@@H]1CCC[C@@H](CI)O1 2307437272 QPRIAWXWXJHSLZ-KKUMJFAQSA-N 451.345 3.775 50 10 JHGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc(OC)c1OC 2325904477 BQTTYSPDVALTCX-UHFFFAOYSA-N 492.557 3.610 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CCC[C@H]1CC(Br)C2 2364215533 JUXBCJNDGMJOHB-ROUUACIJSA-N 497.455 3.953 50 10 JHGE O=C(N/N=C1\CCS(=O)(=O)c2ccc(F)cc21)c1cn(-c2ccccc2)nc1-c1ccccc1 9713886 QZIBZLQOMMTHCU-HPNDGRJYSA-N 474.517 3.990 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 10371192 DMEHIWJTFSFIPY-UHFFFAOYSA-N 488.013 3.713 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1C 12581582 QHNFWTLYQGWZCN-CQSZACIVSA-N 452.338 3.944 50 10 JHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 14641621 JJBDOOSARVHGGH-UHFFFAOYSA-N 476.558 3.677 50 10 JHGE C[C@H](Oc1ccccc1C#N)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 29009772 IGBOARVVORBQPN-SFHVURJKSA-N 451.486 3.639 50 10 JHGE Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)CCl)CC1 34830369 RZCSGTDESIJUQO-MBSDFSHPSA-N 460.043 3.692 50 10 JHGE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)c2nc3ccccc3[nH]2)C1 35304623 VACBKVNOWBZPAU-GXYBQNOFSA-N 482.544 3.723 50 10 JHGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 40868346 FJIDDIXXFTVPTO-OBGWFSINSA-N 463.519 3.612 50 10 JHGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 48572032 BWEOCOIPAYADNT-OCSSWDANSA-N 497.555 3.827 50 10 JHGE Cc1cccc(N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)S(C)(=O)=O)c1C 252595760 CDIDQVAWDIIBHP-UHFFFAOYSA-N 465.575 3.799 50 10 JHGE CN(C)C[C@@H](Br)CN(C)C(=O)c1cc(Br)ccc1Br 690330829 DYIJXWTWHBKHAQ-SNVBAGLBSA-N 457.004 3.609 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1ccncc1 1084072103 YFPPJMYICFHXFU-UHFFFAOYSA-N 487.589 3.656 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1 1084394931 CSUYLDNKIKFKBC-UHFFFAOYSA-N 471.105 3.957 50 10 JHGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(O)c(Br)c1 1084534165 LOPPSCGAHJGXRA-OAHLLOKOSA-N 456.134 3.881 50 10 JHGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)c2cccc(Br)c2)cc1 1622964646 LPSCACYNZDVISF-UHFFFAOYSA-N 457.328 3.730 50 10 JHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)cc1 1772751381 AJFZNBRJHDVJJK-UHFFFAOYSA-N 462.458 3.770 50 10 JHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858956282 BTLAVQYAALIRTN-UHFFFAOYSA-N 489.893 3.656 50 10 JHGE CCCCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859006074 BGOYKMNKFMKBJN-UHFFFAOYSA-N 477.539 3.701 50 10 JHGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)N(CCOC)[C@H](C)C2)n1 1868253854 WDKLKWDFOOZVFC-QZTJIDSGSA-N 456.616 3.528 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N(CCBr)Cc1ccccc1 1888163080 RNNWWFIDGNGUPX-UHFFFAOYSA-N 479.998 3.982 50 10 JHGE Brc1cccc(Br)c1CO[C@@H]1COC[C@H]1I 1901778080 OQISTXHBUUEUQN-GHMZBOCLSA-N 461.919 3.931 50 10 JHGE BrC[C@@H]1C[C@H]2CN(c3ncc(I)cc3Br)C[C@@H]12 1909171853 COXLCGUCSSRJIQ-NRPADANISA-N 471.962 3.916 50 10 JHGE CN(CCN(Cc1ccccc1)S(=O)(=O)N1CCC(CBr)CC1)Cc1ccccc1 1984646092 PPTHBFIFUCVMFV-UHFFFAOYSA-N 494.499 3.972 50 10 JHGE O=C(N[C@@H]1C[C@@H]1CBr)c1ccc(Br)cc1I 1995286171 PSIKUYSIQCKHPQ-LHLIQPBNSA-N 458.919 3.567 50 10 JHGE O=C(NCC1CC(Br)C1)c1cc(Br)ccc1I 2020168799 KVUOMKICQTWRFR-UHFFFAOYSA-N 472.946 3.957 50 10 JHGE CCCN1CC[C@H]([C@@H](Br)c2sccc2I)S1(=O)=O 2029064300 HDDYSERRDZQVIP-NXEZZACHSA-N 464.188 3.603 50 10 JHGE C[C@@H](Br)C[C@@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089708294 XWEMYCHEJFUVLM-SJORKVTESA-N 485.444 3.811 50 10 JHGE O=C(NC[C@H](CBr)C(F)(F)F)c1cccc(F)c1I 2105262091 LYADRFRTQVYPTA-LURJTMIESA-N 453.999 3.734 50 10 JHGE Cc1cc(S(=O)(=O)N[C@H](C)c2nnc(CBr)s2)sc1Br 2192613907 SNPDSJHFGSUABQ-ZCFIWIBFSA-N 461.226 3.605 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CCl)C[C@H]2CCCC[C@@H]21 2240732529 GMCBXUATIMMGCU-UWVAXJGDSA-N 453.004 3.655 50 10 JHGE CC(C)(C)C1CC(CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2274105472 ZNBNZORPYYDIOW-UHFFFAOYSA-N 485.444 3.572 50 10 JHGE CNC(=O)C(C#N)=C1S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Br)cc1 2293038666 SERLIDIGIRUVCX-GOSISDBHSA-N 456.365 3.930 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CCOC[C@@H]1CBr 2295310817 BWMPHRFKCZQOKO-GWCFXTLKSA-N 469.999 3.670 50 10 JHGE CC(C)[C@@H](Br)[C@H](C)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825985 GSSFMFINYKFRCJ-MAUKXSAKSA-N 473.433 3.570 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CC[C@H](CBr)CC1 2338686192 JLRSYNIOEGLZLG-ZKCHVHJHSA-N 457.992 3.629 50 10 JHGE O=C(CCc1ccccc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 10460417 PUTHCXBFGWAPJQ-UHFFFAOYSA-N 480.977 3.861 50 10 JHGE COc1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14006757 VSYYEMYJUGNTCX-CQSZACIVSA-N 479.371 3.749 50 10 JHGE CCCCCN1C(=O)/C(=N\NC(=O)COc2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21 40846253 KOOUXIQBRBEUAH-GFMRDNFCSA-N 489.326 3.793 50 10 JHGE CCOC(=O)c1sc(NC(=O)NN=Cc2ccc(OCC)c(OC)c2)c(C(=O)OCC)c1C 256018551 QTLFREBSRFQDKG-UHFFFAOYSA-N 477.539 3.973 50 10 JHGE O=C(NCCN1CCC(Br)CC1)c1cc(Br)cc(Br)c1 321526343 QZEMOYVZQBKPTD-UHFFFAOYSA-N 469.015 3.801 50 10 JHGE Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727727331 KYWUVBKHPACTHL-UHFFFAOYSA-N 470.464 3.937 50 10 JHGE Cc1ccc(C(=O)N[C@H](CC(=O)NNC(=O)c2cn(C)c3ccccc23)c2ccccc2)cc1 729836421 BVJLLXNVBBARTR-HSZRJFAPSA-N 454.530 3.809 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c(C)n1C[C@@H]1CCCO1 731338256 SGYRDXYQQNKRKK-KKIIKDFYSA-N 497.617 3.782 50 10 JHGE COc1cccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1O 1084485176 JFJCJEQKCRBGKO-UHFFFAOYSA-N 487.965 3.708 50 10 JHGE CC(/C=C\c1ccccc1)=NNC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N 1084486077 IQHXZIXDTAHMMR-HAYKLGDCSA-N 465.539 3.645 50 10 JHGE O=C(Cc1ccccc1I)N[C@@H](CCBr)C(F)(F)F 1918587492 WRVJHAWTBIRZEP-JTQLQIEISA-N 450.036 3.666 50 10 JHGE Cc1cnc(-n2cnc(I)c2I)c(CCl)c1 1939962410 LMGRJAXVXIDBRI-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2C(CBr)[C@@H]2C1 2030274713 HKBGMTQAPBIDJN-QWRGUYRKSA-N 484.957 3.767 50 10 JHGE O=C(c1ccc(F)cc1I)N1CCC(CI)CC1 2037335182 YBLQNTZRZATXKA-UHFFFAOYSA-N 473.067 3.718 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H](CBr)[C@@H](F)C1 2056989239 IPYGFAKSLJLBQS-CPCISQLKSA-N 490.936 3.859 50 10 JHGE C=C[C@]1(CBr)COCCN1c1ncc(I)cc1Br 2079204444 UWHNAJHYBNYOPQ-LBPRGKRZSA-N 487.961 3.605 50 10 JHGE CCCCCC[C@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(O)C4=C[C@@H]1CC[C@H](O)CCC)C(=O)OC3=O 2080455663 LUABMRXJCSRHDW-SJJYIAJXSA-N 460.567 3.722 50 10 JHGE CC[C@@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2114190861 WWKQPZHFZGYVEH-MOPGFXCFSA-N 485.444 3.811 50 10 JHGE O=S(=O)([C@H](CBr)C1CC1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179831714 AFLHFGZIOFKVCV-NHCUHLMSSA-N 455.462 3.868 50 10 JHGE O=S(=O)(Cc1ccsc1Br)N1CCC(F)(F)[C@@H](CBr)C1 2234503765 XPGFOSIQDMEPEY-VIFPVBQESA-N 453.168 3.693 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1OC 2314728633 ICEFFHDBFXJPEQ-UHFFFAOYSA-N 484.559 3.897 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2325065539 SIHHFRJJGWUBCC-YCRPNKLZSA-N 493.692 3.725 50 10 JHGE CCN([C@H]1CCC[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843296 RJQPUPPILMYKDC-MOPGFXCFSA-N 485.444 3.811 50 10 JHGE CN(C)C[C@H]1C[C@@H](Br)CN1Cc1cc(I)ccc1Cl 2352428869 ZZRHRNFJXLUBLW-DGCLKSJQSA-N 457.581 3.844 50 10 JHGE CC(C)C[C@@H](CBr)CN=[S@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2353831357 RUMDCOTWSUHYQE-QMTYFTJSSA-N 454.475 3.999 50 10 JHGE COc1cc(OC)c([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)CCC3)cc1OC 2500583 OWRHGWJOGMXAIN-QHCPKHFHSA-N 456.502 3.777 50 10 JHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 9822179 GHJGUGWGYWRIQI-UHFFFAOYSA-N 493.585 3.630 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1ccccc1Cl 12503328 POEJLLRTRFBBIB-UHFFFAOYSA-N 492.782 3.970 50 10 JHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 14032363 WAUFBAAFXGPGRC-UHFFFAOYSA-N 451.548 3.733 50 10 JHGE Cc1cccc2sc(Nc3ncnc(NNC(=O)c4ccccc4[N+](=O)[O-])c3[N+](=O)[O-])nc12 40650407 DHJZBRUWAGOAGI-UHFFFAOYSA-N 466.439 3.712 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814097 DBXBOMHGIJVPMB-ZTKZIYFRSA-N 475.524 3.555 50 10 JHGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccccn1 59166913 RZQWUQSVDOWZIM-PLRJNAJWSA-N 453.271 3.664 50 10 JHGE Cc1cccc(-c2ccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3C)c(=O)[nH]2)c1 107908059 MBXGRRIMBQQHLE-UHFFFAOYSA-N 453.926 3.932 50 10 JHGE CCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1[N+](=O)[O-] 169920798 RBCUOSPDWGCLDP-CFRMEGHHSA-N 454.870 3.621 50 10 JHGE COc1cccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1OC 254309941 LPRAOZPVVGQHHM-UHFFFAOYSA-N 472.589 3.786 50 10 JHGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 254612472 IRPBRDUXCORMBK-UHFFFAOYSA-N 471.498 3.513 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2ccc(F)cc2)nnc1-c1ccccc1Br 1083921021 VQRFALPHLZSXRQ-UHFFFAOYSA-N 477.363 3.583 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)/C=C/c3ccc(Cl)cc3)c(=O)c2c1-c1ccccc1 1860769667 CPZXAUGCCDWZRC-FMIVXFBMSA-N 478.961 3.948 50 10 JHGE COc1cccc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1OC 1860772848 JDBDBWRUHUZMPX-RPPGKUMJSA-N 462.531 3.601 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705775 FPRILVJBDQNEDP-QFIPXVFZSA-N 467.485 3.875 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc(OC)c1O 1865714413 JRCZSBJKALCPLD-OAQYLSRUSA-N 467.485 3.875 50 10 JHGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)C1 1872961348 JURJFXFJHZFFCJ-NHCUHLMSSA-N 499.571 3.609 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C[C@H]1C[C@@H](Br)C1 1883577052 KMSHDDHLZCDRGR-GASCZTMLSA-N 450.418 3.511 50 10 JHGE O=C1N(c2cc(I)cc(I)c2)CC1(CCl)CCl 1947935590 LATMCEVZZDJFKE-UHFFFAOYSA-N 495.913 3.706 50 10 JHGE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 1977836656 ZPBQHLQEHILKRA-UHFFFAOYSA-N 491.427 3.671 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1cc(Br)cs1 2023039794 UXXGDWGPNGLCIO-APPZFPTMSA-N 452.177 3.639 50 10 JHGE O=C(NCC[C@@H]1COC[C@H]1Br)c1csc(Br)c1Br 2048708187 WMXNECOLAFIHSV-HTRCEHHLSA-N 462.001 3.803 50 10 JHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1cc(Br)cc(Br)c1 2097944847 HGMXQOLXSJZZEP-CABZTGNLSA-N 455.972 3.884 50 10 JHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2ccc(Br)cc2Br)C1 2109021064 FWWBMNREOURZSI-ZJUUUORDSA-N 455.972 3.836 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2cc(Cl)ns2)C1 2110934827 NFAPYYPAWOZRLX-QMMMGPOBSA-N 451.633 3.550 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1cc(CBr)co1)C2 2179834913 NVXNTFGAPZUYEW-BGYRXZFFSA-N 453.402 3.707 50 10 JHGE C[C@H](Cl)C[C@H]1COCCN1C(=O)c1ccc(I)c(Br)c1 2185296072 FTIDCGGBSABPEA-ONGXEEELSA-N 472.548 3.912 50 10 JHGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)N1CCC(CCBr)CC1 2197754407 FYGFMIDNRBQHAY-FQEVSTJZSA-N 459.450 3.800 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)c1ccnn1Cc1ccccc1 2325073704 KDFSJONLCSSRCL-QFIPXVFZSA-N 480.656 3.727 50 10 JHGE CCOc1cc(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc1OC(C)C 2328825014 AHYKKIFSAKBNCZ-KRWDZBQOSA-N 453.605 3.969 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@@H]1CCCBr 2338690725 KKCFBFKTJKDQHY-QMMMGPOBSA-N 457.992 3.725 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2364228771 QRCQLJNHVMYMEX-YIZRAAEISA-N 470.003 3.581 50 10 JHGE C[C@H](Cl)c1nc2cncc(Br)c2n1-c1c(I)cnn1C 2381856229 HZXMJUKBQJKXEW-LURJTMIESA-N 466.508 3.821 50 10 JHGE CCOCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 9819896 RDODSLOPPBQEFV-UHFFFAOYSA-N 468.337 3.589 50 10 JHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 14641563 OBQOEGKYHVATFN-GFCCVEGCSA-N 470.378 3.885 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2cccc3ccccc23)cc1 33565500 FVLNCVQNAADUGH-QINSGFPZSA-N 491.569 3.932 50 10 JHGE N#C/C(=C\c1cc(Br)c(N2CCCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 59302845 AZHZCENFVFIOHR-HLHFXBFFSA-N 451.328 3.850 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccc(F)cc2)cc1 254533906 WADRSGBXGMBUAP-UHFFFAOYSA-N 457.465 3.776 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)N2CCC(N3CCNC3=O)CC2)c(C)n1-c1cccc(Cl)c1 917785977 IDRIDSZACOIZPI-CPNJWEJPSA-N 451.958 3.671 50 10 JHGE C#CCOc1ccc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 1083965799 HZHVCIZMIVOLTG-FQEVSTJZSA-N 459.340 3.824 50 10 JHGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Cl 1084629014 ZECVVFOPCSNDBD-SFHVURJKSA-N 453.322 3.899 50 10 JHGE C#CCOc1ccc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 1648432811 NOQPGPHKYUELQI-UHFFFAOYSA-N 456.527 3.942 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)c1ccccc1Br)c1ccc(Br)cc1 1683681813 WNMJRLFEJRFJOL-HNNXBMFYSA-N 451.118 3.530 50 10 JHGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)CC1 1772743750 HFKOGMHRUYXRRV-UHFFFAOYSA-N 487.398 3.599 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1CN 1857784228 UVEAUDRUWOAZRO-RTWAWAEBSA-N 454.687 3.900 50 10 JHGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711763 HPGVCDIMNRGGCX-OAQYLSRUSA-N 497.870 3.930 50 10 JHGE Cn1nc(Br)cc1S(=O)(=O)N(Cc1ccccc1)C(C)(C)CBr 1915755283 LNSRNFOBMUBNOT-UHFFFAOYSA-N 465.211 3.547 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@]2(CCC[C@@H]2Br)C1 1918940250 QCLRGOSRANQQBG-DZGCQCFKSA-N 450.114 3.777 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2COC3(CCC3)C2)C1 2020647859 ZMLVVKUQYHVGHQ-KBXCAEBGSA-N 451.345 3.919 50 10 JHGE O=[N+]([O-])c1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cn1 2078932147 BPIAEKUORPKIBP-UHFFFAOYSA-N 476.978 3.694 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@]1(C)CNC(=O)OC(C)(C)C 2163052627 GAQZMFHJQXFUKH-KUHUBIRLSA-N 461.422 3.753 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179831553 YHBLQHOMUXJARC-RTBURBONSA-N 453.402 3.707 50 10 JHGE CO[C@@H]1[C@H](OC)CN(Cc2cc(Cl)ccc2I)[C@H]1CBr 2233348496 OTZODLWKAYVAMJ-MJBXVCDLSA-N 474.564 3.554 50 10 JHGE CC(F)(F)C[C@H](CBr)NC(=O)c1c(F)cccc1I 2267674393 VMBUUAUEYIDHJB-SSDOTTSWSA-N 450.036 3.969 50 10 JHGE Cc1ccc(OCCn2cc(C=C(C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)cc1C 2297559631 YVRXOLXUMONFHZ-UHFFFAOYSA-N 470.573 3.968 50 10 JHGE COC1CC2(CC(CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3I)C2)C1 2307608450 VGJWSXRCVDRRAF-QYWBRQQASA-N 451.345 3.631 50 10 JHGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2Br)c(OC)c1 2314737520 RHTZLRXJLFCUGP-UHFFFAOYSA-N 460.280 3.912 50 10 JHGE COC(=O)c1c(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc(C(C)=CC#N)c1C 2331562176 OJGOCEBRRPNMFW-UHFFFAOYSA-N 496.501 3.693 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H](CBr)C1CCC1 2338845664 SOPIBVBUKFJJNL-QGZVFWFLSA-N 485.444 3.574 50 10 JHGE COC[C@]1(CCl)C=CCN1C(=O)c1cc(Br)ccc1I 2379831577 WQDDUBBBPRZXGS-CQSZACIVSA-N 470.532 3.690 50 10 JHGE O=C(NNC(=O)c1ccccc1OCCc1ccccc1)c1ccccc1I 10508802 KVWIMPFTRNUSQG-UHFFFAOYSA-N 486.309 3.988 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(Br)c1 12493997 VAMRPGDRVFJEAT-UHFFFAOYSA-N 462.344 3.582 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2)cc1 12502890 PTAUBEOSSAOZOZ-UHFFFAOYSA-N 496.976 3.615 50 10 JHGE C[C@@H](Cl)C(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 35908300 CKPIXEHMZJGSKH-GOSISDBHSA-N 460.969 3.682 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 38654513 ZSHLMIQRWLXGES-XMMPIXPASA-N 473.441 3.806 50 10 JHGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1ccccc1Cl 40611407 GFCQFLKJWRISSC-UHFFFAOYSA-N 488.335 3.775 50 10 JHGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40645642 BKBJEZIMNHDHSE-UHFFFAOYSA-N 477.264 3.979 50 10 JHGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1 40649807 PSOAMFBQPPZUOT-UHFFFAOYSA-N 458.434 3.825 50 10 JHGE O=C(NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-])c1cccc2ccccc12 40658743 NVJAAQJITYHFBT-UHFFFAOYSA-N 487.495 3.761 50 10 JHGE CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1OC 40960861 FYTGTHTVJHTACG-UMYHVIPVSA-N 451.317 3.783 50 10 JHGE O=C(NN=Cc1ccc(O)c(O)c1O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 254383851 NDCJOXMXGFZONC-UHFFFAOYSA-N 496.328 3.675 50 10 JHGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(O)ccc2O)C1 382727455 RJYCRZXTMUIJGO-WMLDXEAASA-N 453.276 3.885 50 10 JHGE CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1 726279031 MEZFNIJBNHQQHL-GOSISDBHSA-N 469.605 3.970 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 726983585 SFQBMHYGLNWTKQ-NRFANRHFSA-N 458.990 3.655 50 10 JHGE O=C(NNC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccc(F)cc1Br 727371795 RZYMGTAIESWMLG-UHFFFAOYSA-N 477.359 3.876 50 10 JHGE CSc1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 1083892507 TYHRMTUKLUFQLB-UHFFFAOYSA-N 496.452 3.722 50 10 JHGE CCOC(=O)Cc1cc(OC(F)(F)F)c(CBr)c(I)n1 1848387752 SARPSTCUJWRKSI-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CCCOc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771112 KFKAINTYJKCHCU-HARXRPJJSA-N 494.617 3.793 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc(OC)c1O 1865714151 DZYRNVHPBQLPTK-HXUWFJFHSA-N 452.898 3.834 50 10 JHGE CCn1ncc(Br)c1C(=O)N(C)C[C@H](Br)COCc1ccccc1 1916385838 IMDAOPUYJIQACF-AWEZNQCLSA-N 459.182 3.718 50 10 JHGE C[C@@H]([C@@H](Br)c1scc(Br)c1Br)S(=O)(=O)N(C)C 1941960163 OODNOERWMGTGMQ-CAHLUQPWSA-N 470.046 3.989 50 10 JHGE C[C@@H](Cl)[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CCO1 2117535221 YFIXGEQKLAAPDA-PELKAZGASA-N 458.521 3.522 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(I)c(Cl)c2)C[C@H]1Br 2130822127 LGPWVZJHPKNWSX-KBVBSXBZSA-N 458.521 3.615 50 10 JHGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2153994973 FZUFJUKDNFOZDI-HOTGVXAUSA-N 491.860 3.523 50 10 JHGE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)c1ccc(CBr)cc1)CC(F)(F)F 2173987259 SYHOBNDXQPUWHM-LBPRGKRZSA-N 475.327 3.706 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)Cc2cccc(CBr)c2)C1 2179776289 SQHBFYSFOHQBTA-SFHVURJKSA-N 451.430 3.865 50 10 JHGE Clc1cc(CN2C[C@@H]3CCO[C@]3(CBr)C2)ccc1I 2231254859 NNYYKGXGMQUGTM-SMDDNHRTSA-N 456.549 3.930 50 10 JHGE C[C@H]1CN(C(=O)Cc2cc(Br)cc(Br)c2)C[C@H](CBr)O1 2295307665 MVEVDIXOFCRNER-ZANVPECISA-N 469.999 3.765 50 10 JHGE CCc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)cc1 2296042360 BMLVQCXJXVUBMP-UHFFFAOYSA-N 453.549 3.706 50 10 JHGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cccc(Br)c2)c(OC)c1 2314717146 PAARPNDLCIDYNH-UHFFFAOYSA-N 460.280 3.912 50 10 JHGE COc1cc2nc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)nc(O)c2cc1OC 2331039565 RIDXHUHABPAXIA-UHFFFAOYSA-N 458.268 3.893 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(CBr)C2 2364205811 OBXOILSIZMJLJV-ROUUACIJSA-N 497.455 3.811 50 10 JHGE COCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O 2412884 TXMQGTHDVHRWAE-LGMDPLHJSA-N 466.925 3.817 50 10 JHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 9696133 GIDMVMRWAUQMLT-UHFFFAOYSA-N 464.385 3.705 50 10 JHGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)COc1ccc(Cl)cc1Br 13979631 NBWJXCSNWNRZIE-UHFFFAOYSA-N 489.153 3.701 50 10 JHGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cc(Br)c[nH]1 28717830 SXRMGYQXZDNPNW-OAHLLOKOSA-N 490.185 3.690 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 206398465 YRRNURCOBVQDAR-MOSHPQCFSA-N 487.468 3.811 50 10 JHGE COC(=O)c1ccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 1084154778 ZNXWPOCJEMAEBB-UHFFFAOYSA-N 470.573 3.555 50 10 JHGE Nn1c(SCCCC(=O)NN=Cc2cccs2)nnc1-c1ccccc1Br 1084304970 JWNFZXZQHTXXDP-UHFFFAOYSA-N 465.402 3.506 50 10 JHGE COc1ccc2c(c1)c(/C=N/NC(=O)[C@H](C)n1cnc3sc4c(c3c1=O)CC[C@@H](C)C4)cn2C 1860774437 WWICOHUYYSLPQC-IFKJQKJDSA-N 477.590 3.794 50 10 JHGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711523 AQVLDULMHMCSDE-QFIPXVFZSA-N 462.506 3.687 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3Br)c(C)n2)cc1OC 1865758419 ZHVFVVJJAHSOAG-UHFFFAOYSA-N 470.323 3.912 50 10 JHGE Cc1nc2cc(C(=O)O)ccc2n1CCNC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866128814 NKLLWRWXCFKYCW-MHWRWJLKSA-N 453.296 3.529 50 10 JHGE COc1ccc([C@@H](C(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867014863 ZUJHXFXWPGLTQZ-VXKWHMMOSA-N 453.564 3.658 50 10 JHGE COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(Br)c1O 1873795041 OQXUAHCVMYPXGI-IMRMQAIZSA-N 458.353 3.553 50 10 JHGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cnn(C)c1I 1915099359 SEXDZIAHWWZPSA-ZDUSSCGKSA-N 476.156 3.841 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)CI 2007722640 OEYMUQJWFBCFLS-CQSZACIVSA-N 466.341 3.723 50 10 JHGE CN(C)CCN(CCBr)C(=O)c1csc(Br)c1Br 2038022796 OTZPUCHXOVLXIU-UHFFFAOYSA-N 463.033 3.672 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)c1cccs1 2055481102 IGXCNSCFWKLGCK-INIZCTEOSA-N 485.425 3.570 50 10 JHGE O=C(NN=C1C[C@@H]2CC=C[C@@H]12)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 2059868384 RZOPDSWWKMTYDA-KBXCAEBGSA-N 460.353 3.932 50 10 JHGE CCOc1c(I)ccc(C(=O)CBr)c1I 2060131815 POHRVZXWDHNDCT-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE C[C@H](Br)C[C@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089708291 XWEMYCHEJFUVLM-DLBZAZTESA-N 485.444 3.811 50 10 JHGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179826009 NYIHRKUDNQIRGX-NJYVYQBISA-N 455.462 3.868 50 10 JHGE BrC[C@@]12CCCO[C@@H]1CN(c1ncc(Br)cc1Br)C2 2230617984 JMXGTSINMPYJQM-DGCLKSJQSA-N 454.988 3.987 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(CCOCCI)C1 2306804735 LGZMJTVPWTYREA-HOTGVXAUSA-N 452.377 3.550 50 10 JHGE CCOc1c(I)cc(C=C(C#N)C(=O)NCc2ccccc2)cc1OC 2313518690 OQXYZNAOWYNHAA-UHFFFAOYSA-N 462.287 3.922 50 10 JHGE CCC(CC)(CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825679 USZPSMVQOUKSEU-UHFFFAOYSA-N 473.433 3.716 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2330876479 BYMVBQCWSKDBOT-FTLITQJKSA-N 474.012 3.755 50 10 JHGE Cc1cccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)c1 9779710 ZNLNNUKQDDVGPA-UHFFFAOYSA-N 462.127 3.670 50 10 JHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)c1 10276141 VKCNAWOLUWWXBC-UHFFFAOYSA-N 463.559 3.718 50 10 JHGE CCn1c(NNC(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)nc2ccccc2c1=O 11156245 JHMHZRIILJZNAK-OAQYLSRUSA-N 463.582 3.612 50 10 JHGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 12489961 DICNQUQWQYVWJU-UHFFFAOYSA-N 496.789 3.973 50 10 JHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039531 PRCFJSUCWWKDOB-UHFFFAOYSA-N 492.528 3.551 50 10 JHGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/C(C#N)=C3/Nc4ccccc4N3C)cc2)C1 17244393 LYMLIPMOFSVQMS-OFIPFLHKSA-N 450.564 3.833 50 10 JHGE COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(N4CCNCC4)cc3)o2)cc1 33686641 LUHFNOVNSLKCCO-SILNSSARSA-N 456.502 3.688 50 10 JHGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccc(OC)c([N+](=O)[O-])c4)ccc3[nH]2)cc1 169925566 ICSBERWYIFXMGO-QFEZKATASA-N 459.462 3.843 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCOC[C@H](Br)C1 399932963 NHFZGXZIEGJEKF-MRVPVSSYSA-N 467.994 3.540 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H]1Br 721580776 VMFVNXQUSHMHPT-XCBNKYQSSA-N 472.946 3.909 50 10 JHGE O=C(COC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)NNC(=O)c1ccccc1 730645866 MGVRPUDIXVEENA-NRFANRHFSA-N 456.857 3.604 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 746182269 JYGBVJHZDQGLKC-UHFFFAOYSA-N 466.462 3.608 50 10 JHGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNc3ccc(-n4ccnc4)nn3)c2)cc1 1636024506 RFQRUONVPQWWEH-UHFFFAOYSA-N 456.506 3.520 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc(OC)c1O 1865714055 BNZDEVYPCFYDNR-MRXNPFEDSA-N 458.396 3.832 50 10 JHGE COc1ccc(OCCCC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 1865758427 ZRKWJTUPTJCKLA-UHFFFAOYSA-N 479.533 3.703 50 10 JHGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O 1865845089 HUCIEECPDRVUKP-UHFFFAOYSA-N 476.558 3.512 50 10 JHGE CSCC[C@@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866885694 QMDHVJHOBQZRLO-GOSISDBHSA-N 498.051 3.563 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)C1 1877584241 BPKWJAOGSLNCGH-OKCCHCORSA-N 451.427 3.868 50 10 JHGE FC1(F)CN(c2ncc(I)cc2Br)C[C@H]1Br 1988537012 WNWRFGVFROHITH-SSDOTTSWSA-N 467.877 3.668 50 10 JHGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1Br 2008834202 APXQTROOFCPTDR-OAHLLOKOSA-N 479.238 3.793 50 10 JHGE BrCCOCc1cn(-c2ccc(Br)c(I)c2)nn1 2029347048 COVRTNVAJBJZMO-UHFFFAOYSA-N 486.933 3.546 50 10 JHGE CN1CCC[C@@H]([C@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2089513900 HMAGUQQTHJBMDA-NWDGAFQWSA-N 478.577 3.758 50 10 JHGE CN(C[C@H](Cl)C1CCCCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2167645820 CTHKZLDCGDPGSK-IBGZPJMESA-N 455.020 3.758 50 10 JHGE O=S(=O)(c1ccc(OCCBr)cc1)N1CCC(OCc2ccccc2)CC1 2179859119 YSWQKYDCSWZHHD-UHFFFAOYSA-N 454.386 3.830 50 10 JHGE Cc1cc(C(=O)N[C@@H](CBr)C[C@@H]2CCOC2)ccc1I 2207096257 JOHBQTMJDLBQBM-WCQYABFASA-N 452.130 3.520 50 10 JHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)CCC1(C)C 2239848814 XRCRQVKTPVFFHR-UHFFFAOYSA-N 461.422 3.992 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1CC([C@@H](F)CBr)C1 2277927323 OPTUYLCGWWRWSB-LBPRGKRZSA-N 457.963 3.946 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@]2(CBr)C1 2277928054 NSOVYTFDCWCMBA-QMTHXVAHSA-N 451.984 3.998 50 10 JHGE C[C@H]1CN(Cc2ccccc2)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325584232 APJCHFMXFDBQLT-FDDCHVKYSA-N 483.700 3.848 50 10 JHGE COc1cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc(Br)c1O 2328827774 DZWSPSRVMMOHCA-KRWDZBQOSA-N 492.370 3.749 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)c1cccs1 2338863925 PTWSUKCBMVWTCU-LURJTMIESA-N 472.000 3.873 50 10 JHGE Clc1ccc(I)cc1CN1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2352413179 DOZXYTOXIJYXRA-QKCSRTOESA-N 456.549 3.786 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2364011498 AJPMLNOUQTZFQB-RBXMUDONSA-N 470.003 3.627 50 10 JHGE Cc1ccc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)cc1[N+](=O)[O-] 2369430970 LDGGHJGLPBMJBG-MRXNPFEDSA-N 457.346 3.552 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1 14030133 SSFDVLONHHIGGL-UHFFFAOYSA-N 451.548 3.733 50 10 JHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 14030169 KOVSYBSMDBDNDH-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14031288 YSKOYEKHKIAXFN-UHFFFAOYSA-N 482.606 3.944 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1Br 14040911 OSVRLVHIELWVRJ-UHFFFAOYSA-N 485.334 3.990 50 10 JHGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041110 GMXCUOQIOVGBCO-UHFFFAOYSA-N 499.976 3.512 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(C)cc1 16739700 CAMDOVQGCZUETM-KOXKPCSVSA-N 456.365 3.930 50 10 JHGE O=C(NNc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40585212 KQLRYDDYNKUOGH-UHFFFAOYSA-N 477.264 3.789 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C)cc1C 207218069 ALODBRPBFUTIBJ-JWGURIENSA-N 478.545 3.842 50 10 JHGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCCc1ccc(O)cc1 217178960 JRKYJVICFLNTSZ-ROMGYVFFSA-N 466.585 3.866 50 10 JHGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 252624634 PSBLKSBSQCMYJM-UHFFFAOYSA-N 481.574 3.830 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 380637249 LXYWTPDGAUOAPG-CVEARBPZSA-N 473.820 3.924 50 10 JHGE O=C(NC[C@@]1(CBr)CCCOC1)c1cc(Cl)ccc1I 700914546 WUYQXTPVRCTZPG-AWEZNQCLSA-N 472.548 3.866 50 10 JHGE Cc1csc(CC(=O)NNC(=O)COC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)n1 752858930 MNIXPJHPNAMJIL-GRSHGNNSSA-N 487.940 3.718 50 10 JHGE O=C(NCc1ccc(OCc2ccccn2)cc1)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 918233460 GHKRSOAGGWZJPX-UHFFFAOYSA-N 480.468 3.780 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)O[C@H](C)c2ccc(F)c(F)c2)cc1 918948945 FSDGLIDRYXYOHK-JQFNYASXSA-N 480.471 3.924 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)c(C)n1-c1ccc(F)cc1 920475101 BHMPLUGXDSYYKA-KQWNVCNZSA-N 472.568 3.603 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 1866880286 YSDQLLFBGRNDMS-RDPSFJRHSA-N 484.581 3.979 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NC[C@H]1C[C@@H](Br)C1 1877390960 XTBRRDXQESDELW-FGTMMUONSA-N 455.393 3.776 50 10 JHGE CN(C[C@H]1C[C@H]1Br)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1893148264 MIVXKPHCUTZARI-KZNAEPCWSA-N 455.393 3.728 50 10 JHGE O=S(=O)(c1cc(Cl)cc(CBr)c1F)N1CCN(Cc2ccccc2)CC1 2123268182 KPJXXICUHVDVEE-UHFFFAOYSA-N 461.784 3.881 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1ccc(Br)cc1C 2141756678 WFLBQNFHPYKUMK-SKDRFNHKSA-N 460.175 3.886 50 10 JHGE O=C(NC[C@H]1C[C@H](Cl)CCO1)c1ccc(Br)cc1I 2142283526 QXMQUYUKGGTPJJ-NXEZZACHSA-N 458.521 3.570 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146694694 RLRROHDMJIZWRJ-XDTLVQLUSA-N 467.983 3.979 50 10 JHGE O=S(=O)(NC[C@H](CCl)C(F)(F)F)c1cc(Br)ccc1Br 2161568394 QMZAIGJRTPXJCX-LURJTMIESA-N 459.509 3.907 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@]1(F)CC[C@@H](CCl)CC1 2178585024 IFTGSXWXVYDCAY-NBEIKUQISA-N 458.983 3.510 50 10 JHGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1 2295924387 VCGAKNVBSYIHOV-UHFFFAOYSA-N 459.980 3.783 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2330877487 NVQFEJOKBMHTKF-LKEWCRSYSA-N 474.012 3.755 50 10 JHGE CC1(C)CC[C@@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338849420 IHWOHXDYMBONME-MRXNPFEDSA-N 485.444 3.811 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)C1CCCC1 2338849430 IIUCTNSEWCMBCG-IBGZPJMESA-N 485.444 3.716 50 10 JHGE CCN(C[C@@](C)(CBr)O[C@H]1C[C@H](C)S(=O)(=O)[C@H](C)C1)C(=O)OC(C)(C)C 2352580288 QTCIZEPMTDIRBM-BASYENTBSA-N 456.443 3.768 50 10 JHGE CO[C@@H]1[C@H](OC)CN(Cc2ccc(I)c(Br)c2)[C@H]1CCl 2377317599 QAKFEXRYKCVOEF-MJBXVCDLSA-N 474.564 3.507 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCC(C)C 14035404 YODOWTHSOUPCFN-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(I)c1 20311489 OLHANECDRHTFTR-VURRPDKYSA-N 473.108 3.971 50 10 JHGE COc1ccc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc1[N+](=O)[O-] 40951140 LJKGUIREYGMUDH-CIAFOILYSA-N 450.289 3.984 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC(=O)OCC 58895304 FAGIRCKGABJYFS-TYNJROEQSA-N 498.576 3.728 50 10 JHGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1 97475193 KBUPGIOFKNEDBX-JDOZLOAYSA-N 489.528 3.666 50 10 JHGE CN(CCBr)CCN(C)C(=O)c1cc(Br)c(Br)s1 691268754 PAOURNLZNQNNQK-UHFFFAOYSA-N 463.033 3.672 50 10 JHGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC(=O)OC 1083970570 XGBTUZYPTMBAMC-CPNJWEJPSA-N 483.952 3.546 50 10 JHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)cc2)Cc2ccccc2)cc1 1084251036 RGXNIKCXMAYMLT-UHFFFAOYSA-N 455.967 3.990 50 10 JHGE CC(=NNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1084294119 XCWJOUPOYIZTQU-UHFFFAOYSA-N 466.519 3.639 50 10 JHGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1 1608520923 VVVNHFQIXCGYAV-KRWDZBQOSA-N 458.584 3.750 50 10 JHGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1F 1872752632 LUUSKHCWLACFBX-LGMDPLHJSA-N 480.433 3.955 50 10 JHGE CC(C)(C)OC(=O)NC1(CC(=O)NC[C@H]2C[C@H]2Br)CCN(Cc2ccccc2)CC1 1991445175 MYLHXVLCDVXGOQ-RTBURBONSA-N 480.447 3.836 50 10 JHGE O=C(NC[C@@H](CBr)C(F)(F)F)c1ccc(F)cc1I 2105270220 LKTJTUFIEGJTQN-ZCFIWIBFSA-N 453.999 3.734 50 10 JHGE CC1(C)CCN(C(=O)c2ccc(I)c(O)c2)C[C@@H]1CBr 2148649008 CNDFTEPFEYIJNG-NSHDSACASA-N 452.130 3.880 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCC2)CC[C@H]1CBr 2152060982 MPURLSXUIPLQNR-KRWDZBQOSA-N 497.455 3.812 50 10 JHGE O=C(Cc1ccccc1I)N1CCC([C@@H](F)CBr)CC1 2163247793 VQRFYNZKMUEUKT-ZDUSSCGKSA-N 454.121 3.805 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2163292749 UOZLQUUZWXVREP-NKWVEPMBSA-N 457.131 3.705 50 10 JHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCl)CC1CCCCC1 2164515724 SEGPLUKFLSYPPI-IIBYNOLFSA-N 458.983 3.508 50 10 JHGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2179834432 IWCKCANSMNLQQB-IYARVYRRSA-N 465.404 3.723 50 10 JHGE Cc1ccc(C(=O)N2CCC(CI)CC2)cc1I 2217859766 VCYBYKDXQHFORV-UHFFFAOYSA-N 469.104 3.887 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CCO[C@]2(CCl)C1 2239902912 JJZMDZUBXYDWLZ-YMTOWFKASA-N 470.532 3.524 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NCCCCI)C2 2243588228 AVZMWJUMUHPASC-MWTRTKDXSA-N 456.390 3.843 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H](CN(CCOCCI)C2CC2)C1 2306800337 VZDRGYZHRPMLKW-HNNXBMFYSA-N 452.377 3.550 50 10 JHGE O=C(CCc1ccc2c(c1)OCO2)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313648640 SRMADPLBSYJUDX-UHFFFAOYSA-N 453.498 3.928 50 10 JHGE ClC[C@@]12COC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349831369 SRXZPZRPNMHRLK-SMDDNHRTSA-N 456.549 3.741 50 10 JHGE ClC[C@@]12CCO[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349855866 TXONUVCCNXGLMB-ZIAGYGMSSA-N 456.549 3.883 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCCl 2364215141 RIJFRYDPLNEJRG-MSOLQXFVSA-N 455.020 3.760 50 10 JHGE CC(C)(C)OC(=O)N1CC(N(CC2CCOCC2)C[C@@]2(CBr)CC2(F)F)C1 2379986179 OLDWYXFZIPYXGF-SFHVURJKSA-N 453.368 3.755 50 10 JHGE O=C(NC(=S)NNC(=O)c1ccccc1Cl)c1cccc(OCCOc2ccccc2)c1 14041085 BGPGMRPKWDYTRE-UHFFFAOYSA-N 469.950 3.747 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(C)c(Br)c1 14655012 LDTLXDLDZFUARX-UHFFFAOYSA-N 456.134 3.994 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c(Br)c1 14834000 WMQVGLLMIJCXEF-WEVVVXLNSA-N 482.787 3.525 50 10 JHGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1cccc(Cl)c1 40658572 UTFDNASELGJTCJ-UHFFFAOYSA-N 496.698 3.859 50 10 JHGE O=C(CSc1nc2ccccc2[nH]1)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 59181396 OSBXMYZGYGXPAA-BYNJWEBRSA-N 455.543 3.765 50 10 JHGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c1C 102684417 IPJYGMMYTVJXSD-DTBYZMGXSA-N 458.518 3.614 50 10 JHGE N#C/C(=C/NCCc1ccc(S(N)(=O)=O)cc1)C(=O)NC1CCCCCCCCCCC1 217259998 QEMCPLOSWSTDAR-VZCXRCSSSA-N 460.644 3.663 50 10 JHGE O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Oc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1 254582708 ZVRJIBRFRCMNMR-UCKIXLMESA-N 460.402 3.886 50 10 JHGE CC1=C(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1083961563 IXBLMWQZEDGMAC-KRWDZBQOSA-N 464.334 3.845 50 10 JHGE O=C(NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(F)cc2)c1 1084183589 OIOFPYZARCPVKV-UHFFFAOYSA-N 451.370 3.658 50 10 JHGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1cc(O)ccc1O 1084242565 GFPIWHWPPYUBEH-UHFFFAOYSA-N 472.133 3.850 50 10 JHGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 1637734430 DCEAZLDMYAAQJN-SFHVURJKSA-N 455.559 3.704 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1 1670961271 TZWWTXRZHVQTPA-GTNSWQLSSA-N 459.371 3.569 50 10 JHGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)c2ccc(-c3ccccc3OC)nc2C)CC1=O 1865759972 APFNBHSYSHQCLY-HXUWFJFHSA-N 486.572 3.751 50 10 JHGE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=N\NC(=O)CCN1C(=O)CSC1=S 1865762783 CGCCPRASBZJJPD-OUBWWKSTSA-N 491.948 3.830 50 10 JHGE Cc1c(C(=O)N(C)C[C@@H](Br)COCc2ccccc2)nn(C)c1Br 2002831351 VCLCINCFJJPUPX-CQSZACIVSA-N 459.182 3.543 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCC(=O)N1CCOCC1 2042456039 BCJMHVPIHYFSLQ-UHFFFAOYSA-N 473.529 3.903 50 10 JHGE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NS(=O)(=O)c3ccc(CBr)cc3)[C@H]21 2162602431 OPOSLHVCAUPXSV-IKGGRYGDSA-N 459.406 3.648 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@H](CCBr)O1 2179375969 RKDGDDRKWLODLM-GXSJLCMTSA-N 472.548 3.959 50 10 JHGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1O 2295482911 AMAOQXVLJPGSMP-UHFFFAOYSA-N 472.545 3.778 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2364191844 XNYFSFCUHPGRLN-QLIIJSOBSA-N 497.455 3.715 50 10 JHGE C[C@H](Br)COCc1cn(Cc2ccc(Cl)cc2I)nn1 2366713245 XCJBXARUQYOCPU-VIFPVBQESA-N 470.536 3.884 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3ccccc3)cc2)c1 12500747 GHLRCRHAMRBWCQ-XNTDXEJSSA-N 458.543 3.596 50 10 JHGE COc1cc2c(c(OC)c1OC(=O)CCl)-c1ccc(SC)c(=O)cc1[C@H](NC(C)=O)CC2 22054263 WEFSQURXCINXNO-MRXNPFEDSA-N 477.966 3.721 50 10 JHGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)cc(I)c1O 58887750 STNYQKMDCZWFMO-RKQRPNFGSA-N 458.683 3.614 50 10 JHGE CCCN(CCC)c1ccc(C(=O)N/N=C2\C(=O)N(CC(=O)N(CC)CC)c3ccccc32)cc1 59154122 PJVOZQDSWPMBOC-FVDSYPCUSA-N 477.609 3.662 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)COc2cc(C)cc(C)c2)c1C 59167161 DRGVGPBYCWNNEC-WYMPLXKRSA-N 451.483 3.552 50 10 JHGE COCc1cc(C)n(CC(=O)NN=Cc2ccccc2OCc2cccc(Cl)c2)c(=O)c1C#N 254745311 LWCDSEPYPQTTFW-UHFFFAOYSA-N 478.936 3.558 50 10 JHGE CCOC[C@@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 380805950 LRLSWJRJZILLJP-QMMMGPOBSA-N 470.010 3.834 50 10 JHGE CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 915947999 DKCUQZXZLRHPNJ-UHFFFAOYSA-N 454.490 3.752 50 10 JHGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1 1637295333 WRPZLQNMNGADBR-INIZCTEOSA-N 456.996 3.827 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)C1CC(OCc2ccccc2)C1 1993396015 FGILFBWMZPAIGW-LHUBUQBQSA-N 451.370 3.503 50 10 JHGE N#CCCn1cc(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(-c2ccccc2)n1 2040459837 YBGMMQMZFZSVHG-UHFFFAOYSA-N 476.544 3.945 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1csc(Br)c1Br 2122367891 JQTQQYCRRYSKFH-JGVFFNPUSA-N 475.044 3.813 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2139255073 NOBQMQULCIMVBO-AEJSXWLSSA-N 455.159 3.773 50 10 JHGE Cc1cc(CNC(=O)OC(C)(C)C)cc(NS(=O)(=O)N2CCC(Br)CC2)c1 2162588912 LEEOQLNKUQVEAV-UHFFFAOYSA-N 462.410 3.536 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H](CBr)OCC12CC2 2183978925 RJPMKHQMBLVSDP-VIFPVBQESA-N 467.983 3.980 50 10 JHGE CC(C)(C)OC(=O)N1CCN(CCCCBr)CCN(C(=O)OC(C)(C)C)CC1 2209813537 CRZNSIKGTDHZEW-UHFFFAOYSA-N 464.445 3.951 50 10 JHGE O=C(NCC#CCCBr)c1ccc(I)c(Br)c1 2213566693 ICMJYJJIOMMRNH-UHFFFAOYSA-N 470.930 3.572 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)Cc1ccccc1Br 2226128500 KRZBOAYETJIFMF-UHFFFAOYSA-N 485.491 3.775 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)c1ccc(F)c(Br)c1 2232175748 QTUFXJHQHMHHGR-UHFFFAOYSA-N 482.007 3.805 50 10 JHGE Cc1ccc(C(=O)N2C[C@H](CBr)OC(C)(C)C2)cc1I 2232833199 LOQNGADMGQCKBI-LBPRGKRZSA-N 452.130 3.614 50 10 JHGE CN1CCC[C@]1(C)CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2300071823 CYNIOPSXVNTMBP-MSOLQXFVSA-N 452.377 3.692 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14007484 JWJJJICLAGRXTJ-SNVBAGLBSA-N 462.127 3.750 50 10 JHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1 14037189 SOOWNFFWNAYEME-UHFFFAOYSA-N 457.596 3.949 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 34259036 NXKGPYMSAUWFCJ-KAKTVLCNSA-N 468.422 3.506 50 10 JHGE CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)O[C@H](C)C2 57399685 LVMAEZMRMKHXIS-DDLUMYACSA-N 458.518 3.752 50 10 JHGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)c1C 108785882 FRIBFECBLMGBSB-QGZVFWFLSA-N 464.484 3.985 50 10 JHGE O=C1c2ccccc2C(=O)N1CCc1ccc(S(=O)(=O)Nc2nc(CCl)cs2)cc1 170552430 FSCAQSPVULIEHS-UHFFFAOYSA-N 461.952 3.521 50 10 JHGE COCCCNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 256022819 LQCMANSTLDOGTO-QCZZGDTMSA-N 476.047 3.825 50 10 JHGE O=C(Cl)c1c(OC(F)(F)F)cc(I)nc1I 396178309 IIMJUCGFAMAEIJ-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 719387577 KDFROLOUWMDZMA-HOTGVXAUSA-N 473.820 3.924 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(Br)c(C)c2)cc(Br)c1O 1084239709 HSBWPSRSBNOLLH-UHFFFAOYSA-N 472.133 3.763 50 10 JHGE C/C(=C/C1CCC(C)CC1)C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1135757948 BMDBALQZMUAPMA-MNDPQUGUSA-N 458.562 3.978 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(C)n2)cc1OC 1865759147 KSSXQEJOVCAYCD-UHFFFAOYSA-N 470.869 3.711 50 10 JHGE COC[C@@](C)(CBr)CNC(=O)c1cc(Br)ccc1Br 1926999467 JQPFCTQVANUYLD-ZDUSSCGKSA-N 457.988 3.989 50 10 JHGE C[C@@H](CCCl)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1960067450 CFZILEJVZGHBEO-GAJHUEQPSA-N 480.989 3.860 50 10 JHGE O=C(CBr)c1c(S)ccc(I)c1I 2060149040 TYCCKJDMDHJBTO-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCCC[C@@H]1CBr 2089706369 ADIJMIFJPWQBIR-SJORKVTESA-N 485.444 3.574 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2121591471 IRTFPDRNHFHGGH-ZKWXMUAHSA-N 474.012 3.755 50 10 JHGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2132362756 AXVJBZKFEJCDAG-SJORKVTESA-N 455.443 3.846 50 10 JHGE O=S(=O)(c1ccc(CCBr)cc1)N1CC2(CC(OCc3ccccc3)C2)C1 2179784655 BYSPKXDQDJBICB-UHFFFAOYSA-N 450.398 3.994 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@@H]2C[C@H](Cl)C[C@H]21 2185306547 IRFVLEPRIMAGLO-OASPWFOLSA-N 470.532 3.665 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1Cc2ccccc2C[C@H]1CBr 2296328413 ZPQXDLNAXNXQTE-MWXLCCTBSA-N 450.398 3.886 50 10 JHGE CC(=CC#N)N1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)Nc4nccs4)c3)cc2C1=O 2313811553 MJGFQEYKFNAYJY-UHFFFAOYSA-N 457.471 3.671 50 10 JHGE CN1CCN(Cc2ccc(Cl)c(I)c2)[C@H](CCBr)C1 2337221270 MNXVBSQWHAAPIM-GFCCVEGCSA-N 457.581 3.846 50 10 JHGE Cn1cc(I)c(CN2CCC[C@]3(CBr)CCCC[C@H]23)n1 2367611482 PMBKJDUUHLPWQV-GJZGRUSLSA-N 452.178 3.944 50 10 JHGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 14645681 LXLHOZUSTDXNED-UHFFFAOYSA-N 450.289 3.857 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)COc2ccccc2C(C)(C)C)c(Br)c1 14666826 VVHAUDSYUBBQNF-UHFFFAOYSA-N 463.372 3.914 50 10 JHGE CCCCN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2ccccc2Br)c2ccccc21 33959091 QKSFUPNGQRTGDI-MEFGMAGPSA-N 485.382 3.626 50 10 JHGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(CC)CC)c1 35447547 VORIHMIXBKJIGI-LTGZKZEYSA-N 489.601 3.779 50 10 JHGE Cc1ccccc1C(=O)NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-] 40649281 LCLXVHGPTKYQQM-UHFFFAOYSA-N 490.261 3.798 50 10 JHGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCC)c(OC)c2)c(OC)c1 98027964 LMBCHYFHZSHDFH-XUPLFRGXSA-N 462.502 3.930 50 10 JHGE CCOc1ccc(C=NNC(=O)c2cccc(F)c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254571554 ZSZPVOIWNSGODK-IRLDBZIGSA-N 488.563 3.769 50 10 JHGE COc1ccccc1C(=O)NN=C1C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21 254710873 JUKVOXBSYMCFBM-JOCHJYFZSA-N 469.545 3.756 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c(-c2ccccc2)n1 761422153 ZWTPBNJDQAWMAP-JWGURIENSA-N 478.512 3.551 50 10 JHGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(OC2CSC2)c1 1084104681 PQADHGMIAPFOEU-UHFFFAOYSA-N 499.589 3.666 50 10 JHGE C/C(=C/C(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)CN1CCOCC1 1135762002 UTHHAKRRCJPNPK-VKAVYKQESA-N 459.999 3.672 50 10 JHGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)c2ccc(Br)cc2)c1 1208488899 WRPPYGUTDFJVTH-UHFFFAOYSA-N 455.106 3.881 50 10 JHGE COCCCNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772743879 KSSNZYRVRVAVJF-UHFFFAOYSA-N 462.344 3.587 50 10 JHGE CCOc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OC 1860774467 YLLHQJWDVFLSHZ-OQXNGVQHSA-N 468.579 3.701 50 10 JHGE C[C@H](NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(SC#N)cc1 1867074938 LAIBKEIRRYGRBC-HNNXBMFYSA-N 466.592 3.681 50 10 JHGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 1873777878 VWZKHIAPXHJVOL-OAHLLOKOSA-N 451.354 3.929 50 10 JHGE O=C(NC[C@H](Br)CF)c1cc(I)ccc1Br 1937691251 KQKXPIRTCWPGIE-ZCFIWIBFSA-N 464.898 3.517 50 10 JHGE CC(C)(C)OC(=O)N[C@H](CBr)[C@@H]1C(=O)Nc2ccc(I)cc21 1975073037 SXBWZZDFYMEMKU-VXGBXAGGSA-N 481.128 3.615 50 10 JHGE CCOC(=O)c1cc(I)c(I)cc1CCl 2055324139 WWKKNXBSADZWMC-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE O=C=Nc1cc(OC(F)(F)F)c(I)cc1I 2060035231 DWTICPFHWBHJPC-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE Cc1[nH]c(=NCCSSCCNC(=O)OC(C)(C)C)c(Br)cc1[N+](=O)[O-] 2125295788 CGEQXGLFBWHQRI-UHFFFAOYSA-N 467.411 3.801 50 10 JHGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cc(F)ccc1CBr 2179787685 SHICKWMBAJSORY-UHFFFAOYSA-N 452.349 3.786 50 10 JHGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179792357 FEGXEWRMSQMYSE-ROUUACIJSA-N 469.832 3.987 50 10 JHGE O=C(Nc1c(Br)cc(Br)cc1C(=O)O)N[C@H]1C[C@@H](Br)C1 2183098522 LWFLBJMZMAOAGR-IAQIWYKVSA-N 470.943 3.957 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC[C@]2(C[C@H](Cl)CO2)C1 2201783010 YTOZJSQGQYAMGX-HZMBPMFUSA-N 470.532 3.666 50 10 JHGE C=C[C@@]1(CCl)COCCN1C(=O)c1ccc(Br)cc1I 2207265873 XFGAMOQTVVCGTO-CQSZACIVSA-N 470.532 3.690 50 10 JHGE C[C@@H]([C@H](Br)c1ccc(Cl)c(I)c1)S(=O)(=O)N(C)C 2256330707 CQOOZJSPANKSJS-CPCISQLKSA-N 466.566 3.661 50 10 JHGE O=C(NC[C@@]1(CBr)CCCOC1)c1ccc(Cl)c(I)c1 2283665280 VBKGHZYSHPLEBP-AWEZNQCLSA-N 472.548 3.866 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCC(=O)OC 2293152709 SJTLYRINZLWUAF-UHFFFAOYSA-N 458.854 3.534 50 10 JHGE CC(C)[C@H]1C[C@@](C(=O)O)(N(C)C[C@@H]2C[C@@H]2Br)CN1C(=O)OCc1ccccc1 2326065860 BNYJDZKSESDIGN-LXGFNABISA-N 453.377 3.592 50 10 JHGE COc1ccc(C=C(C#N)C(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 2329701247 DTGHSCGAQFNEOK-RUZDIDTESA-N 476.554 3.942 50 10 JHGE CC(C)[C@@H](Cl)C(C)(C)CN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2366068101 HRABXIDGAUQVDJ-UTKZUKDTSA-N 460.999 3.562 50 10 JHGE CCOC(=O)[C@@H](C)/C(C)=N/NC(=O)COc1c(C)cc(Br)cc1Br 12483512 TZCHZGMCMCLYQD-KNFNVKMYSA-N 464.154 3.590 50 10 JHGE C[C@@H]1C[C@@H](C)CN(C(=O)CCC(=O)NNc2nc3ccccc3c3nc(-c4ccccc4)nn23)C1 20286928 LMUROYBVEVGDNY-QZTJIDSGSA-N 471.565 3.672 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 34259039 NXKGPYMSAUWFCJ-BAPRJRNISA-N 468.422 3.506 50 10 JHGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)ccc1Cl 34696628 YSDORLJYHUJOFK-XOQYZJNISA-N 464.909 3.651 50 10 JHGE O=C(COc1c(Br)cc(F)cc1Br)NNC(=O)Nc1ccc(F)cc1 39891994 KLOFSIIEWAWXDR-UHFFFAOYSA-N 479.075 3.722 50 10 JHGE COc1ccc(CNc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40753925 TUPXVXPBNBSYJS-UHFFFAOYSA-N 454.534 3.955 50 10 JHGE CCCCOCCOCCOCCO[C@@H](CCl)[C@@H](I)CCl 162614240 YCLAVCQKIHHPAZ-KBPBESRZSA-N 457.176 3.503 50 10 JHGE CC1(C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CCl)O1 169374263 MUQNGPZZQDCDFT-HRGFCEOQSA-N 454.966 3.889 50 10 JHGE O=C(CCBr)c1cc(I)ccc1I 306906275 YSOFXJCTRQKFET-UHFFFAOYSA-N 464.866 3.864 50 10 JHGE O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(CN2CCCC2)c1 728217318 WHCUTIZLGJNACQ-UHFFFAOYSA-N 450.564 3.840 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1Br 1084137991 VKRRIAUGLUEREV-UHFFFAOYSA-N 469.335 3.853 50 10 JHGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)c3ccc(OCCC(C)C)cc3)n[nH]2)c1C 1135740717 SYOBUZWDQYYLRW-UHFFFAOYSA-N 450.543 3.576 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680228 CUAOLIKXAHUKAB-NRFANRHFSA-N 453.458 3.572 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cccc(Cl)n2)cc1 1866564575 JQZHISVHUKYOGE-LJQANCHMSA-N 452.923 3.994 50 10 JHGE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@]2(CCC[C@H](CI)O2)C1 1924238120 WHKCTEPDWSTPBO-FHLIZLRMSA-N 451.345 3.919 50 10 JHGE C[C@@H]([C@H](Br)c1ccc(I)c(Cl)c1)S(=O)(=O)N(C)C 2029075540 RRICVUOZKIHNII-CPCISQLKSA-N 466.566 3.661 50 10 JHGE CCOC(=O)c1cc(CCl)cc(I)c1I 2055330927 ISVKBIGDCJGMKJ-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE COC(=O)Cc1cc(OC(F)(F)F)cc(CBr)c1I 2055377128 WMIQANAUUWXETQ-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE O=C(c1ccc(I)cc1)N1CCC(OCCCBr)CC1 2207529722 GDYMNXUBYKQYOY-UHFFFAOYSA-N 452.130 3.697 50 10 JHGE C[C@H](Br)CN(CCC(C)(C)C)C(=O)c1cnn(C)c1I 2288048219 LAUYSZRQBOQARB-JTQLQIEISA-N 456.166 3.687 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N(CCCBr)C(C)(C)C 2338672957 JEDYQIUATZUAKT-UHFFFAOYSA-N 460.008 3.971 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CCCC[C@H]1Br 2338862599 XTGNORQFLAVANT-HTQZYQBOSA-N 457.992 3.629 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1ccc(Cl)cc1I 2365586772 PPMURNYPXWFNBC-RYUDHWBXSA-N 470.532 3.759 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1cccc(Cl)c1 12484206 REFJFPVLHOJVDB-UHFFFAOYSA-N 462.525 3.705 50 10 JHGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14666987 WZMQGMGDDKHZCC-UHFFFAOYSA-N 474.355 3.907 50 10 JHGE CCCCCOc1ccc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 38608910 KKKUGHIZQIGOGD-XSFVSMFZSA-N 454.523 3.810 50 10 JHGE C#CCOc1cc(Br)c(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 58891696 CTOJPBKUAIATLQ-YPFLROGLSA-N 459.340 3.824 50 10 JHGE C/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2)n1N)c1ccc(Br)cc1 58990963 OKFGJGPZOJZRKJ-UCQKPKSFSA-N 473.400 3.834 50 10 JHGE O=C(CSCc1ccccc1)N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59146653 WSWLVJCGKHGYOI-RWEWTDSWSA-N 460.515 3.895 50 10 JHGE COc1ccccc1C(=O)N/N=C1\C=C/C(=N\NC(=O)c2ccccc2OC)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1 206480397 PLLJYLMSSUNWJM-PGKZTZKVSA-N 470.529 3.584 50 10 JHGE O=S(=O)(NCCCCCCI)c1ccc(Br)cc1F 236153629 LOJSZVBSRHKIAF-UHFFFAOYSA-N 464.138 3.862 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccn3C)n2-c2ccc(OC)cc2)cc1 254441576 VKGWWCMBZWRDLO-UHFFFAOYSA-N 476.562 3.532 50 10 JHGE O=C(OCc1ccccc1)N1CC[C@@H](I)[C@H](CI)C1 307657404 RNGYEQYHVSYRLO-CHWSQXEVSA-N 485.103 3.884 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 387794022 NVDWQTNVMNMXIV-XVKPBYJWSA-N 462.001 3.616 50 10 JHGE Clc1ccc(I)c(CN2CCN3C[C@@H](Br)C[C@H]3C2)c1 405298167 LXNHLGBJRZCKMB-AAEUAGOBSA-N 455.565 3.598 50 10 JHGE CO[C@@]1(CBr)CCN(c2ncc(C(F)(F)F)cc2I)C1 686108594 ISUVWBSJKWXSAT-LLVKDONJSA-N 465.051 3.695 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCOC[C@H]1CCBr 694882904 VWQQYPSNMCLZFJ-SNVBAGLBSA-N 455.972 3.838 50 10 JHGE COc1cccc(N2CC[C@H](NC(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)C2)c1 728192112 CIJRMQYPMIPJOR-QFVBLGFASA-N 466.545 3.774 50 10 JHGE CC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1 1084340387 OPAOUMDXYMNKHL-CYBMUJFWSA-N 471.546 3.796 50 10 JHGE CCCCCCCC(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084609368 VLMRBIOKAGUCRB-UHFFFAOYSA-N 460.534 3.510 50 10 JHGE C#CC[C@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)C1 1299852277 FGKAJNTXFPSBOD-ORTNRGLGSA-N 457.534 3.650 50 10 JHGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 1955760368 DURSDTFHDFFDJN-UHFFFAOYSA-N 467.429 3.808 50 10 JHGE CCC(CC)(CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233312 RLQUESICZMMRPJ-UHFFFAOYSA-N 473.433 3.574 50 10 JHGE C[P@]1(=O)C[C@H](Cl)[C@H](NC(=O)c2ccc(Br)cc2I)C1 2142276495 DLVXVHAYJOZFNW-NWJBQHJCSA-N 476.476 3.766 50 10 JHGE CC(C)(C)[C@]1(CCl)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2160930205 DBJASUSHYSFRDV-QFIPXVFZSA-N 455.020 3.760 50 10 JHGE CCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)cc1CBr 2179788599 FBDILCVEAWSOTH-QGZVFWFLSA-N 454.434 3.688 50 10 JHGE COc1ccc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CC[C@H]1OCc1ccccc1 2179858626 QWCBJUJLAGESFS-QZTJIDSGSA-N 454.386 3.958 50 10 JHGE Cc1cc(S(=O)(=O)N(C)C[C@]2(Br)CC2(F)F)sc1CBr 2202537451 ONYXGPPVCMCCDP-SNVBAGLBSA-N 453.168 3.745 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)Cc1ccccc1Br 2226105376 OIZLTGJDUIETTQ-UHFFFAOYSA-N 478.044 3.807 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1CC([C@H](F)CBr)C1 2277927318 OPTUYLCGWWRWSB-GFCCVEGCSA-N 457.963 3.946 50 10 JHGE CC(C)(CI)CN1CCC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 2306820784 IJCJWRGLPKDFNA-SFHVURJKSA-N 452.377 3.550 50 10 JHGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNCCc2cccc(Br)c2)cc1OC 2325051779 CYJNKSIDLKQWNH-HNNXBMFYSA-N 458.356 3.883 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)c1cccs1 2338851916 IXQFKHOOTGPPEZ-KRWDZBQOSA-N 499.452 3.960 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCCCC[C@H]1Br 2338860032 IVHMOEKFPAICIR-SFYZADRCSA-N 457.992 3.771 50 10 JHGE Clc1ccc(CN2C[C@H]3OCC[C@]3(CBr)C2)c(I)c1 2341051745 QPPHBOQFLKSMFF-KGLIPLIRSA-N 456.549 3.930 50 10 JHGE C[C@H]1CCC[C@@](CCl)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364216637 PVTUFLFBEAQORU-HTAPYJJXSA-N 455.020 3.950 50 10 JHGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 9229829 WISVRESNQZPSEN-JXMROGBWSA-N 460.924 3.812 50 10 JHGE Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 12403521 IUYZBFRYILCZLC-UHFFFAOYSA-N 463.372 3.969 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 12503386 RFRCJNXBMRCXFP-UHFFFAOYSA-N 467.978 3.881 50 10 JHGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccccc1Cl 14644393 DZVUQAQLZMKTSP-JTQLQIEISA-N 462.127 3.750 50 10 JHGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccccc1I 14665620 NIOFIXPIXFPPDP-CYBMUJFWSA-N 466.319 3.817 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c(OC)c1 38656844 IADZSZWRBPZRMZ-SANMLTNESA-N 488.496 3.915 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCC(=O)O 58895383 UHQFWKAMVFNECN-VPZZRGLESA-N 484.549 3.640 50 10 JHGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)NCCc1ccc(OC)c(OC)c1 216777521 BKRUENBIJCVMEB-ZPHPHTNESA-N 451.523 3.839 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H](CBr)O1 235645923 SAQYUJXKNCMRBY-QPUJVOFHSA-N 455.972 3.836 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(OC)c1 254844994 IFRHZPBIWQMKKV-UHFFFAOYSA-N 458.562 3.790 50 10 JHGE C[C@@H](Sc1ncccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC1 726156812 JZZHZRGENASJDP-MRXNPFEDSA-N 454.596 3.557 50 10 JHGE CCOc1ccc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 1084532346 FEXSZLAOZSWGBQ-UHFFFAOYSA-N 451.548 3.739 50 10 JHGE O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 1084559401 HXIDVUYBESEZJA-UHFFFAOYSA-N 453.838 3.997 50 10 JHGE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)NC(C)C 1598223768 VZXJLSFYNLRFID-JOCHJYFZSA-N 450.539 3.599 50 10 JHGE CC(=O)N/C(=C/c1ccccc1)C(=O)NNc1c(Br)cccc1Br 1633992096 IZTIJAZQWLOAGM-XNTDXEJSSA-N 453.134 3.832 50 10 JHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744100 SWBOCLHOAJCYEY-UHFFFAOYSA-N 456.974 3.878 50 10 JHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2scc(Br)c2Br)C1 2046663203 FTHWKCONEAZLJI-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CCN(Cc2ccccc2)CC1 2059388862 UCLBZQMFLKSHHI-UHFFFAOYSA-N 488.245 3.851 50 10 JHGE Cn1cc(Br)c(CC(CBr)(CBr)C2CCOCC2)n1 2087330008 LUJFKSHTCRQTGA-UHFFFAOYSA-N 459.020 3.928 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1c(Br)cccc1Br 2097943586 XVUITRYZAZZLSC-RKDXNWHRSA-N 455.972 3.884 50 10 JHGE O=C(c1c(Br)cccc1Br)N1CCOC[C@H](CBr)C1 2098205729 FLYKAJOUXVELAV-SECBINFHSA-N 455.972 3.695 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)sc1Br 2122372262 ZFDFUJJNKXHXKT-SFYZADRCSA-N 475.044 3.813 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC2(C1)OCCC[C@@H]2Cl 2159657515 IUYCOAACBSJDLC-LBPRGKRZSA-N 470.532 3.666 50 10 JHGE CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCOC2)cc1CBr 2179829678 CZVMOXLRLAULNO-GOSISDBHSA-N 454.386 3.960 50 10 JHGE CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179951595 ATUKBNZONUBCSV-FQEVSTJZSA-N 460.482 3.572 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189068395 QPQVGLXKCAMKBL-YFKFIEJBSA-N 467.983 3.694 50 10 JHGE CC1(C)OC[C@@H](NC(=O)Cc2cc(Br)cc(Br)c2)[C@@H]1Br 2295311701 NURGRYYYBXUDCM-YPMHNXCESA-N 469.999 3.811 50 10 JHGE C[C@@H](Br)C[C@@H](C)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316822724 TZQCBEYSUZLJDP-HZPDHXFCSA-N 473.433 3.572 50 10 JHGE CC(C)(C)[C@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338851482 ZBESWLOZIMQTBZ-MRXNPFEDSA-N 487.460 3.820 50 10 JHGE COc1cc(CNCC(F)(F)C(F)(F)CI)c(Br)cn1 2362096120 KVHOGFUHDFHYPO-UHFFFAOYSA-N 471.030 3.648 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](Br)CC(C)(C)C1 2364012016 BQFQVPRBBTYGLG-QMMMGPOBSA-N 472.019 3.971 50 10 JHGE O=C(NNC(=O)c1ccc(SC[C@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 8680415 SIAXQQSYNSUYCY-CYBMUJFWSA-N 480.886 3.502 50 10 JHGE O=C(CCS(=O)(=O)c1ccc(F)cc1)NNc1nc2c(Br)cccc2s1 10045937 DTXVWPXCQKHXJW-UHFFFAOYSA-N 458.334 3.505 50 10 JHGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1ccncc1 40583293 PGJRWJRIUFLHBX-UHFFFAOYSA-N 453.768 3.953 50 10 JHGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1O 252626648 RCPBZSCBKSIOSP-UHFFFAOYSA-N 455.308 3.550 50 10 JHGE COc1cc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc(OC)c1O 254394520 ZEPZRVYAAVZKPL-UHFFFAOYSA-N 489.937 3.628 50 10 JHGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@H]1CO 256681969 JGELYOCTJSVMRL-SQNIBIBYSA-N 469.618 3.749 50 10 JHGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H]1Br 387898244 JKVZYADIGFGLAF-XVKPBYJWSA-N 472.946 3.909 50 10 JHGE O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)C1CCN(c2nc3ccccc3s2)CC1 728971520 BYHUESYKBYYEAZ-UHFFFAOYSA-N 466.535 3.652 50 10 JHGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3C)S(C)(=O)=O)c2C)c1 1084032907 CGBDQTWKQLBZFS-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NN(C)c2ccccn2)ccc1Cl 1640773987 JNMMIUWQRSQBHX-UHFFFAOYSA-N 456.955 3.898 50 10 JHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)CC1 1772745835 JOKSUYBNQYBVAE-UHFFFAOYSA-N 471.941 3.737 50 10 JHGE CCOC(=O)c1nc(OC(F)(F)F)cc(I)c1CBr 1848387601 GXUYGWYXPDNBMQ-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O 1865757236 SXXBDFMOAPBVKS-UHFFFAOYSA-N 492.482 3.662 50 10 JHGE CCCSc1ccccc1C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865852056 OJLVSNJTSGNEPP-CQSZACIVSA-N 470.620 3.861 50 10 JHGE CCCC[C@@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866904542 IKOIZNXEGNSFLM-HSZRJFAPSA-N 466.607 3.953 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@H]2[C@H]1CBr 2078299774 VSRRCULWWRNVKI-LPBBDHJYSA-N 484.957 3.909 50 10 JHGE CCN1CC[C@H]([C@@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2089530582 HOKDJFOPUGSOSY-NEPJUHHUSA-N 478.577 3.758 50 10 JHGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2144839210 VAUFXCJYGVCJRE-HDICACEKSA-N 469.832 3.940 50 10 JHGE O=S(=O)([C@H](CBr)C1CC1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179831715 AFLHFGZIOFKVCV-RTWAWAEBSA-N 455.462 3.868 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CC[C@@H](Br)C2)CC1 2288062578 PWWGNJGHYCVZRS-QGZVFWFLSA-N 497.455 3.812 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)c1ccc(Br)o1 2349638403 FCDBLMUZOBHFGS-INIZCTEOSA-N 469.423 3.838 50 10 JHGE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cccc(O)c1 13108603 HMKDKDAECKMLFJ-UHFFFAOYSA-N 457.943 3.645 50 10 JHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)CCc2ccccc2)c(C(C)C)cc1Br 13976495 ATKYZCODTHYTSV-UHFFFAOYSA-N 492.439 3.914 50 10 JHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1 13985348 KDHVFZYRAIBNAG-NTCAYCPXSA-N 460.559 3.783 50 10 JHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 14037105 VTHYCRXYAKWQKM-UHFFFAOYSA-N 490.585 3.985 50 10 JHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14037120 FQBWREOTIJPJPW-UHFFFAOYSA-N 482.606 3.944 50 10 JHGE O=C(NNC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1OCc1ccc(F)cc1 17450025 LSNIAUAWUHDGJH-UHFFFAOYSA-N 453.495 3.807 50 10 JHGE COc1ccc(COc2ccc(/C=N/NC(=O)CSc3nc4ccccc4n3C)o2)cc1 20291494 YYHJKSAKTBWZFF-ZMOGYAJESA-N 450.520 3.996 50 10 JHGE COc1ccccc1/C=C\C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 33569293 MJKXURRCJARWDK-NXVVXOECSA-N 461.543 3.623 50 10 JHGE CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@H](c2ccc(C(=O)O)cc2)NC(=S)N1 33958365 GRBPMEMEZKEQPO-OYCFWJGQSA-N 463.346 3.635 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1ccncc1 58990411 YFPPJMYICFHXFU-OGLMXYFKSA-N 487.589 3.656 50 10 JHGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccccc4)cc3)nc2s1 96484351 NVKFNVDJBXIVCU-ATVHPVEESA-N 457.515 3.838 50 10 JHGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1C 102860503 GQSIWMVONIRHAW-LYBHJNIJSA-N 499.615 3.992 50 10 JHGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cc(CCl)oc2Br)C1 323477209 NKPNJYGMBHUDRY-CQSZACIVSA-N 461.809 3.924 50 10 JHGE COc1ccc(OC)c(C(=O)N/N=C(\C)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)c1 407947189 AYWAGQFAYISZSW-WAELCUJMSA-N 467.522 3.687 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCS[C@H](CCl)C1 721595247 UXTQENAYMYKNTR-SECBINFHSA-N 460.562 3.850 50 10 JHGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1C 725394098 LENXSWZQXZTRHE-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(C)n1C1CCCCC1 725906849 GZIXAZQLDIMBMZ-IAAPFODBSA-N 453.631 3.576 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F 748612709 BQGXWAZJEZCPGE-UHFFFAOYSA-N 458.261 3.848 50 10 JHGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC 1082753856 RTXCVMUPWUBSOZ-UHFFFAOYSA-N 451.454 3.868 50 10 JHGE CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084513406 HBIKEQWBXWETBC-UHFFFAOYSA-N 465.575 3.735 50 10 JHGE C=C(C)C[C@H](NC(C)=O)C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1463940417 IVDPBQLCOCKYII-QFIPXVFZSA-N 450.926 3.787 50 10 JHGE CCOC(=O)c1cnc(OC(F)(F)F)c(I)c1CBr 1848387681 NSBJLOBCJQEICD-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)Nc4cccc(Cl)c4)c(=O)c23)cc1 1860770389 GTSPNCJICMSYGN-UHFFFAOYSA-N 467.938 3.940 50 10 JHGE Cn1ncc(CC(CBr)(CBr)C2CCOCC2)c1Br 2116619782 IHYOOGGKDFKITO-UHFFFAOYSA-N 459.020 3.928 50 10 JHGE CCn1cc(S(=O)(=O)N(C)[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1CBr 2179786471 AVUZPBOHCRXRRZ-LPHOPBHVSA-N 454.434 3.686 50 10 JHGE O=S(=O)([C@@H](CBr)C1CC1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179831713 AFLHFGZIOFKVCV-LEWJYISDSA-N 455.462 3.868 50 10 JHGE COc1ccc(CBr)cc1S(=O)(=O)N(CCCN(C)C)Cc1ccccc1 2179858403 OFAWXORVPMFBSL-UHFFFAOYSA-N 455.418 3.733 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201762164 FCKQMTCACQNRRH-YGRLFVJLSA-N 467.983 3.980 50 10 JHGE O=S(=O)(NCCCCCCI)c1ccc(F)c(Br)c1 2232137504 HLJCGWPMHIRQTJ-UHFFFAOYSA-N 464.138 3.862 50 10 JHGE CN(CC[C@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 2305103714 RLXFNTNJTMIETO-FQEVSTJZSA-N 481.681 3.582 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@H]1[C@@H]2CBr 2335066663 ATPRDDOQLQUZKW-BIMULSAOSA-N 451.984 3.996 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(OC[C@@H]2COC3(CCC3)CO2)CC1 2339359384 AIROWUVMIUNJPD-OAHLLOKOSA-N 481.371 3.546 50 10 JHGE Clc1ccc(CN2C[C@@H]3OC[C@@H](CBr)[C@@H]3C2)c(I)c1 2341013144 SIUJICRCDHXUTK-OSMZGAPFSA-N 456.549 3.786 50 10 JHGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12503412 QRPJRBCUYWQTNX-LLVKDONJSA-N 490.796 3.823 50 10 JHGE O=C(NNc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-])c1ccc(Br)cc1 40657909 XZUAZYQGIPUDHC-UHFFFAOYSA-N 465.214 3.926 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccncc1 40658945 LOEHLCHTQBSMGQ-UHFFFAOYSA-N 453.768 3.953 50 10 JHGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccnc1)CCC2 40814196 UCJVHFIYRZTZGC-TURZUDJPSA-N 460.490 3.882 50 10 JHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2c(C)nn(CCC(=O)O)c2C)sc2c1CCCC2 58407187 GBSVZWJLJGMDLP-PTNGSMBKSA-N 470.551 3.637 50 10 JHGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(N2CCCC2)o1 59138327 IYICCLJAOMEBHK-KEBDBYFISA-N 471.149 3.934 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C(\C)c1cccnc1 59261086 BFNCYKHJKUKEOR-MFKUBSTISA-N 455.975 3.757 50 10 JHGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)OCC(=O)NNC(=O)c2cccs2)o1 96481725 ZDNADCJUASASBE-BENRWUELSA-N 476.514 3.520 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)c2cc(Cl)ccc2I)C1 401509232 UUDOSNYUCVXBGS-ZDUSSCGKSA-N 458.521 3.571 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N(CCCl)CCCl 721573071 OGEUIIJLRCFTHH-UHFFFAOYSA-N 450.929 3.974 50 10 JHGE CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)NN=Cc1cc([N+](=O)[O-])cc(C(=O)O)c1O 1081082668 DTJBSICFIKKSAY-UPCLLVRISA-N 479.493 3.935 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)CC1 1260511163 PXSVCXZYLFTZJY-WKILWMFISA-N 461.422 3.943 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745042 PPGJLFKVACIXIN-UHFFFAOYSA-N 490.535 3.866 50 10 JHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1O)CCC2 1772751842 NVMWAWHMOLAZFM-UHFFFAOYSA-N 475.501 3.827 50 10 JHGE COc1ccccc1-c1ccc(C(=O)NNC(=O)c2ccccc2I)c(C)n1 1865760174 KNBNGAHYSNZSGE-UHFFFAOYSA-N 487.297 3.745 50 10 JHGE CCCC[C@@H](NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866890540 DEXNYDGNJHYCRK-GOSISDBHSA-N 475.592 3.599 50 10 JHGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2ccc(C)o2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867259652 HWISOJYYSRRPSG-QHCPKHFHSA-N 477.542 3.995 50 10 JHGE COC(=O)Cc1cc(I)c(CBr)cc1I 2055327745 FAMIZRFIJIPEGR-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE O=C(N[C@H]1CCOC[C@H]1CBr)c1cc(Br)sc1Br 2072947765 UHXGQXCQVLIELX-SVRRBLITSA-N 462.001 3.803 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[C@@H]1Br 2076191411 NRQKOAUCXMAJOA-VHDGCEQUSA-N 476.209 3.785 50 10 JHGE O=S(=O)(NC[C@@H](CBr)C(F)(F)F)c1ccc(Br)cc1Cl 2161573970 BIPGNDLTDQVADI-ZCFIWIBFSA-N 459.509 3.954 50 10 JHGE C[C@@]1(C2CC2)CN(S(=O)(=O)c2occc2CBr)CCN1Cc1ccccc1 2179826349 RASMSGGSBIRVLV-FQEVSTJZSA-N 453.402 3.850 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179868833 PLUSCLQNGYFJNL-MJGOQNOKSA-N 453.402 3.850 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185328078 YSGXOEUPFRHQSH-KPXOXKRLSA-N 467.983 3.979 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Cl)C[C@H]2CCCC[C@H]21 2279555165 RPFIUVGVSPDYKG-MBOZVWFJSA-N 453.004 3.655 50 10 JHGE N#CC(=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297709420 SINFKHOUYHFBFM-UHFFFAOYSA-N 472.866 3.701 50 10 JHGE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(CCOCCI)CC1 2306803797 BBFPIFYSAXMIIA-UHFFFAOYSA-N 452.377 3.550 50 10 JHGE CC[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2338833959 SEGIGIKJSQXNQH-IAGOWNOFSA-N 485.444 3.526 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2COC3(CCC3)CO2)C1 2339384298 OLVNUASYYJCEAT-BEFAXECRSA-N 481.371 3.546 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040916 OIDSYSWCCFSGPL-UHFFFAOYSA-N 485.334 3.747 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)cc1 14650281 NGPGOWGCSCFNEL-UHFFFAOYSA-N 480.384 3.586 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(CC)CC)c1 35447549 VORIHMIXBKJIGI-PGMHBOJBSA-N 489.601 3.779 50 10 JHGE COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 48572736 HROSYVQCUQWAMW-AFUMVMLFSA-N 451.866 3.657 50 10 JHGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCC(=O)OCC 59333313 CCBBLQLQUDLFMS-HAVVHWLPSA-N 489.572 3.621 50 10 JHGE CCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 102847328 NDQLXHRJSRSOLQ-KAMYIIQDSA-N 453.296 3.601 50 10 JHGE CC(C)[C@H](CBr)Cn1cnc(I)c1I 308541740 MWJFITPMUIXWII-SSDOTTSWSA-N 482.929 3.759 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 709216202 YORCLDRWCBPBKD-IUCAKERBSA-N 476.028 3.863 50 10 JHGE C=CCSc1ccccc1C(=O)NNC(=O)c1nn(CCCCC)c(=O)c2ccccc12 1628599393 GPDFCCIURJEEKS-UHFFFAOYSA-N 450.564 3.940 50 10 JHGE C#CCN(C)CCCNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 1641719601 HOCZFYMOTDZBDF-HKWRFOASSA-N 453.384 3.835 50 10 JHGE CCOc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OC 1860774470 YLLHQJWDVFLSHZ-ZRLHMFCCSA-N 468.579 3.701 50 10 JHGE COc1cc(C(=O)NNC(=O)CCCc2ccc(C)cc2C)c(Br)c(OC)c1OC 1865761362 OAIRAUWQOWFKGW-UHFFFAOYSA-N 479.371 3.876 50 10 JHGE Brc1ccc(I)cc1CO[C@@H]1COC[C@@H]1Br 1902312740 ICTHETRZYHHMOV-WDEREUQCSA-N 461.919 3.733 50 10 JHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)C1CC(OCc2ccccc2)C1 1993396024 FGILFBWMZPAIGW-YJNKEBTESA-N 451.370 3.503 50 10 JHGE C[C@H]1CN(C(=O)c2csc(Br)c2Br)C[C@@H](CBr)O1 2032953015 AZYCWXUSDCPITA-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE CCCN1CC[C@H]([C@@H](Br)c2cccc(I)c2)S1(=O)=O 2089533983 CNHYHSOASCSJJN-OLZOCXBDSA-N 458.159 3.541 50 10 JHGE CN(C1(CBr)CC(C)(C)C1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2108316705 JDSHYRGAIUAKLS-UHFFFAOYSA-N 485.444 3.668 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCO[C@H](CCBr)C1 2116238377 LAZFMNAITPZNEY-SNVBAGLBSA-N 458.521 3.571 50 10 JHGE O=C(c1scc(Br)c1Br)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2121591469 IRTFPDRNHFHGGH-OOZYFLPDSA-N 474.012 3.755 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2344149099 IIDWRBKOCYCBDH-SSHXOBKSSA-N 456.324 3.854 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](Br)CC(C)(C)C1 2364012015 BQFQVPRBBTYGLG-MRVPVSSYSA-N 472.019 3.971 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CC[C@@H]1CBr)CC2 2364216745 QSCKSQVLRAZVTL-QGZVFWFLSA-N 497.455 3.812 50 10 JHGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2C)c(OCC)c1 1284448 DECKZEIIHMROIG-GZTJUZNOSA-N 454.435 3.756 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)Nc1ccccc1 12584280 AQOVJGZSJJXXAM-UHFFFAOYSA-N 459.163 3.608 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(C)c(Br)c2)c(Br)c1 13977671 LEIDQBGAJGSWJA-UHFFFAOYSA-N 470.161 3.922 50 10 JHGE CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14023409 XGZLNSCWXMDBSF-MRXNPFEDSA-N 455.736 3.795 50 10 JHGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC)cc1 14032995 PWYIEZGDCQLMHO-UHFFFAOYSA-N 470.595 3.944 50 10 JHGE O=C(/C=C\c1ccco1)NCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 27499851 WNYXGFQFHLEJQS-CXYSPRKYSA-N 482.334 3.901 50 10 JHGE CC(=NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)c1ccc(NC(=O)C2CCCC2)cc1 252600245 DPRPKPPDMJYCNX-UHFFFAOYSA-N 464.482 3.715 50 10 JHGE CCOC(=O)N1CCN(C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)c2)CC1 586672099 CQCWLTVRFRDPKG-UHFFFAOYSA-N 453.524 3.818 50 10 JHGE N#Cc1ccc(CNC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(F)c1 729879391 GTYHRDMZJBIOJN-UHFFFAOYSA-N 454.465 3.694 50 10 JHGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccccn2)cc1I 1084047221 DAJYMCMTJVLHPR-UHFFFAOYSA-N 482.281 3.901 50 10 JHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1 1084064595 AZNRJZKOFVAYRF-UHFFFAOYSA-N 479.566 3.925 50 10 JHGE Cc1c(C(=O)NCCC(C)C)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748360 WLKGQSMHVCWMOO-UHFFFAOYSA-N 461.360 3.992 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(F)c3)cc2)cc1 1858665044 GBCUNIRBNDBMIX-UHFFFAOYSA-N 484.534 3.839 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CC[C@H](I)C1 1994507463 DXWAVSDJLFIWPE-ZETCQYMHSA-N 458.919 3.861 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1csc(Br)c1Br 2036684696 ZDZXNOKPZSGJTE-RNFRBKRXSA-N 462.001 3.945 50 10 JHGE O=C(c1csc(I)c1)N1CCC2(CC1)C[C@H](Br)CO2 2116541203 VLZLDDPRRPLEFL-JTQLQIEISA-N 456.143 3.511 50 10 JHGE O=S(=O)(N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12)c1cc(Br)ccc1Br 2166864984 LMZRLERPDFODPB-WCXZBXRPSA-N 488.039 3.909 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(I)c(O)c2)CC[C@@H]1CCBr 2172474203 MTIKARRTDGFFKZ-MNOVXSKESA-N 452.130 3.880 50 10 JHGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(Br)cc1Br 2178907025 NMAMPPMXDGKCSE-QWRGUYRKSA-N 469.015 3.751 50 10 JHGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cn1 2179823464 JWJCWZUBQVRUAB-LJQANCHMSA-N 452.418 3.509 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201762163 FCKQMTCACQNRRH-QMTHXVAHSA-N 467.983 3.980 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCC(CO)(CCl)CC1 2280213741 OAKAGGMPBCPGLS-UHFFFAOYSA-N 472.548 3.507 50 10 JHGE CCOC(=O)C(C#N)=Cc1cc(I)cc(I)c1OCC 2293704380 IRJVDKKSKJGLIK-UHFFFAOYSA-N 497.070 3.765 50 10 JHGE Cc1nc2cc(C(=O)O)ccc2n1CCNC(=O)C(C#N)=Cc1cccc(Br)c1 2329693226 XMVRWZRHFCUMRV-UHFFFAOYSA-N 453.296 3.529 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](Br)CC12CCC2 2364206514 TYNBCWCJRFVWPD-QGZVFWFLSA-N 497.455 3.955 50 10 JHGE Cn1cc(I)c(CN2C[C@H](C(C)(C)C)C[C@@H](CBr)C2)n1 2367588012 VQEVQDFOESIYHR-NWDGAFQWSA-N 454.194 3.904 50 10 JHGE C[C@@H](Br)COCc1cn(Cc2cc(I)ccc2Cl)nn1 2380445767 BQPJJWFXSOAGFM-SECBINFHSA-N 470.536 3.884 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2)cc1 12500751 WCAAYBRILVWNIT-LFIBNONCSA-N 458.543 3.596 50 10 JHGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14035457 OLHBYROUPKNMRN-QGZVFWFLSA-N 465.575 3.978 50 10 JHGE Nc1c(NNC(=O)COc2ccccc2)ncnc1Nc1cc(C(F)(F)F)ccc1Cl 40682725 OAWJJFIEOIJOIP-UHFFFAOYSA-N 452.824 3.997 50 10 JHGE C/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccccc1Br 59392640 WLZWUNZBRRLXDV-SREVYHEPSA-N 451.136 3.989 50 10 JHGE COc1ccc(C)cc1NC(=O)CC(C)=NNC(=O)COc1ccc(C)cc1Br 252625942 QSLMNXYAZAIHAD-UHFFFAOYSA-N 462.344 3.974 50 10 JHGE Cc1c(Br)c(C(=O)NN=Cc2coc3c(Cl)cc(Cl)cc3c2=O)nn1C 254417519 VFYUNHBRIIDOQD-UHFFFAOYSA-N 458.099 3.668 50 10 JHGE C[C@H]1CCc2sc(C(=O)NN=Cc3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2C1 254822467 FQAPLBRDORAJLR-LBPRGKRZSA-N 456.553 3.825 50 10 JHGE ClCc1csc(CCCn2cnc(I)c2I)n1 304404102 NEEXRMJPDACLIY-UHFFFAOYSA-N 493.539 3.920 50 10 JHGE C[C@H](Br)C1CN(C(=O)c2cc(Br)ccc2I)C1 719943449 XZFJVRBYBIIKJN-ZETCQYMHSA-N 472.946 3.909 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NNC(=O)NCCc2cccs2)c(-c2ccc(Cl)cc2)n1 920859361 HZPFVSCFJSTDFX-GHRIWEEISA-N 493.980 3.659 50 10 JHGE COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc(OC)c1OC 1082753744 GIBANKNMFARHSZ-UHFFFAOYSA-N 451.454 3.868 50 10 JHGE COc1ccc(COC(=O)NN=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1 1084539617 OIFLUBUVPDEYBC-UHFFFAOYSA-N 472.501 3.619 50 10 JHGE CC(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)CC12CCCCC2 1153568233 FEHPYOUVOAHKGW-HKPSVDRMSA-N 452.599 3.585 50 10 JHGE C#C[C@@H](NC(=O)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1)c1ccc(Cl)cc1 1312936124 HSOUTEGFFWGFDK-GOSISDBHSA-N 459.930 3.855 50 10 JHGE C/C(=C(\F)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)C1CC1 1586977643 AIVGBWCWEMIULN-LDADJPATSA-N 451.907 3.555 50 10 JHGE C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1674362928 FWGRJZVMKBAVCB-UGKGYDQZSA-N 459.550 3.524 50 10 JHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C(=O)OCCOC)c1C 1866126752 LXDCWHQDGGTIJN-FOWTUZBSSA-N 472.519 3.591 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCCC2)C[C@@H]1CBr 1912782503 AQJNILADYUBALN-QGZVFWFLSA-N 497.455 3.812 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@@]2(CCC[C@H]2Br)C1 1918937616 JMLPWTIQABRNAV-HIFRSBDPSA-N 450.114 3.777 50 10 JHGE O=S(=O)(NC[C@H](CBr)C1CC1)c1cc(Br)ccc1Br 2089959855 AVYFYVMBKJTKLQ-VIFPVBQESA-N 476.028 3.911 50 10 JHGE CN(C)C[C@H](Br)CN(C)C(=O)c1cccc(Br)c1Br 2092332360 DWWMLNMFEUESJS-VIFPVBQESA-N 457.004 3.609 50 10 JHGE COC[C@](C)(CCBr)NC(=O)c1ccc(I)c(Cl)c1 2101778371 WQRGATGKAVINNY-ZDUSSCGKSA-N 460.537 3.865 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179819302 KLASTHDGBPPGSY-MSOLQXFVSA-N 453.402 3.626 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NCCCCCI)C1 2211183941 JWAPJBSUNJRMFX-GJDIJTJZSA-N 458.406 3.993 50 10 JHGE COc1ccc(CCNC(=O)C(C#N)=CNc2ccc(I)cc2C)cc1OC 2324714357 LWWVHHNKQHDIFO-UHFFFAOYSA-N 491.329 3.795 50 10 JHGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331276457 ZIKLUIZVINAWMQ-UHFFFAOYSA-N 462.443 3.816 50 10 JHGE CC1(C)CC[C@H](CBr)N1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843888 WQNZZFBZAUGFFJ-MRXNPFEDSA-N 485.444 3.811 50 10 JHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 12571019 NMDCXVKOLLJTHW-UHFFFAOYSA-N 491.194 3.779 50 10 JHGE COc1ccc(C=NNC(=O)Cn2c(Cc3ccc(OC)c(OC)c3)nc3ccccc32)cc1 13142468 MAQXVTMREDDJPB-UHFFFAOYSA-N 458.518 3.803 50 10 JHGE CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643054 QYNLRTKRGAYFQI-CQSZACIVSA-N 462.344 3.643 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NCCCOCCBr)cc1Br 230763751 XNVXYZJPGVXGOD-UHFFFAOYSA-N 494.043 3.600 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 380637269 LXYWTPDGAUOAPG-JKSUJKDBSA-N 473.820 3.924 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c(OC)c1 725430386 UZRYSRFNYUOSST-UHFFFAOYSA-N 493.516 3.746 50 10 JHGE Cn1cc(C(=O)NNC(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)c2ccccc21 727474130 ZGYAONKDBPHTGJ-UHFFFAOYSA-N 456.502 3.680 50 10 JHGE COc1ccccc1CC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727708253 LQIVZMDDJNGMDF-UHFFFAOYSA-N 460.465 3.919 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084485849 GFSSUZGRQURALG-SFHVURJKSA-N 464.303 3.820 50 10 JHGE CC(=O)CCc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 1540342818 NYTHWIWFBQQASS-GOSISDBHSA-N 450.491 3.609 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1865851715 HAVNUZIYCCBCRO-UHFFFAOYSA-N 476.558 3.621 50 10 JHGE COC(=O)c1cccc2c1c(/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)cn2C 1873793222 DEFIZVLWYWVHAP-IYAOEYEUSA-N 478.549 3.551 50 10 JHGE COC[C@](C)(CBr)CNC(=O)c1cc(Cl)ccc1I 1927000550 RAWVHSPJMMRECM-CYBMUJFWSA-N 460.537 3.722 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H](CBr)OCC12CC2 2183975456 YYJWNDLKGRNKOZ-JTQLQIEISA-N 467.983 3.980 50 10 JHGE CCN1CCC[C@H]([C@H](Br)c2c(F)cccc2I)S1(=O)=O 2282903486 IRCYGYZWYVYNAC-YPMHNXCESA-N 476.149 3.680 50 10 JHGE CC[C@@H](NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 2325092749 DZGKLBCNIYXFLR-AREMUKBSSA-N 492.645 3.547 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC2(CC[C@H](CCl)O2)C1 2361878952 IQWVTGLLWHRABE-SNVBAGLBSA-N 470.532 3.666 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2364017607 LOVYJKJYLOTTSN-XHNCKOQMSA-N 470.003 3.723 50 10 JHGE O=C(Oc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)c1cccc(Br)c1 3661609 CWGSPTNWBBVXRG-RNRKLAHPSA-N 481.302 3.958 50 10 JHGE N#C/C(C(=O)N1CCOCC1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 13122651 XNJOOTSUTMAJAO-SXKRPYPPSA-N 453.951 3.625 50 10 JHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 13982268 CNFKQTUTWGPDSP-LFIBNONCSA-N 458.543 3.596 50 10 JHGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14020701 YQPCOGPDTFJFOO-UHFFFAOYSA-N 470.378 3.887 50 10 JHGE N#C/C(=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1cccc(Br)c1 33932355 HCTNLLYHAAXXMG-DGJFXRHUSA-N 484.350 3.669 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1ccccc1O 58989670 AWOFIJURGDSSJT-FOKLQQMPSA-N 465.366 3.694 50 10 JHGE COC(=O)/C(=C(\NC(C)=O)SC)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 100835237 YZEHJXADJMUQSV-VHXPQNKSSA-N 451.528 3.554 50 10 JHGE CCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 207228857 NOMDLZKSXLWNFR-CDFYOSQTSA-N 476.529 3.869 50 10 JHGE O=C(NCC1(CBr)CC1)c1cc(I)ccc1Br 232471644 AFGBFCZDJHDHCY-UHFFFAOYSA-N 472.946 3.959 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1cc(Br)sc1Br 235287294 GTLVUCMBNSZYCY-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE CCOc1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 254822264 ACMIXYWRFKPPBZ-OWXRICPPSA-N 457.486 3.735 50 10 JHGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2ccccc2C(=O)O)nc2ccccc2c1=O 254875220 RHSDDPVYUAMBML-UHFFFAOYSA-N 472.526 3.635 50 10 JHGE CO[C@](C)(CBr)CNC(=O)c1cc(Br)ccc1I 702491589 KRGBMSUCXHVXKT-GFCCVEGCSA-N 490.961 3.584 50 10 JHGE NC(=O)[C@@H](NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(Br)cc1 729676179 FSJLGTDQTVCBRU-FQEVSTJZSA-N 472.314 3.628 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2c(C)ccc(F)c2Br)cc1 1562847430 YUXSPBANZGURBJ-LBPRGKRZSA-N 452.280 3.719 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)CCCSc4ccccc4)c(=O)c23)C1 1865851920 KMPXQMFHQXQBOZ-HOTGVXAUSA-N 484.647 3.864 50 10 JHGE O=C(NC[C@@H]1C[C@H]1CBr)c1cc(I)ccc1Br 1907255375 PQVZLGCQERRJKR-YUMQZZPRSA-N 472.946 3.815 50 10 JHGE CC1(C)CC[C@@H](Cl)[C@H](CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1927055253 ABKQUCMKKALUNW-MAUKXSAKSA-N 455.020 3.662 50 10 JHGE CC[C@H](C)[C@@H](CI)NC(=O)c1cccc(I)c1 2023038751 ZPKINIZGNXRYNX-JOYOIKCWSA-N 457.093 3.871 50 10 JHGE O=C(c1csc(Br)c1Br)N1CCOC[C@@H]1CCBr 2032955881 GLRSOAFHHRKWTH-ZETCQYMHSA-N 462.001 3.899 50 10 JHGE O=C(C=Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2 2040439258 OGEXDQMKGCWLGR-UHFFFAOYSA-N 485.650 3.628 50 10 JHGE C[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 2163054453 XIIVCXVCFXLKRF-HOCLYGCPSA-N 461.422 3.895 50 10 JHGE CC[C@@]1(CCl)COCCN1C(=O)c1cc(Br)ccc1I 2169036097 IYOAVDYCVDFSCE-CQSZACIVSA-N 472.548 3.914 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2174306057 LZFAAXBQFHUVPG-WCABBAIRSA-N 488.039 3.863 50 10 JHGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1ccc(CBr)cn1 2179813280 VVXKNGLGQGYRLP-HKUYNNGSSA-N 453.402 3.981 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1ccc(CCBr)s1)C2 2179819190 JIHIMCBWZCTPEX-FXAWDEMLSA-N 469.470 3.828 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](F)C[C@H](Br)C1 2226316399 FGWGGFZWPDQOEJ-IUCAKERBSA-N 479.991 3.708 50 10 JHGE CCn1ncc(Br)c1C(=O)N[C@H](CCBr)COCc1ccccc1 2303548576 GKRKUNAFUVWQAU-CQSZACIVSA-N 459.182 3.766 50 10 JHGE CC(C)c1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 2325885147 GHGFVMIAFVOLQH-INIZCTEOSA-N 464.591 3.882 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCCC[C@H]1CBr 2338837922 TYGUWKUJZIWPQC-LPHOPBHVSA-N 485.444 3.716 50 10 JHGE CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(O)c(OC)c4)CC(=O)N3C2)cc1 9693240 ZJARYTZWQDTWGK-GOSISDBHSA-N 465.531 3.797 50 10 JHGE CCOCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 9825565 HMOSAZRRQVQJGT-UHFFFAOYSA-N 461.518 3.737 50 10 JHGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccccc1Cl 11035578 MIJLPOUCLNWHRW-UHFFFAOYSA-N 462.525 3.705 50 10 JHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c(Br)c1 14834019 MEHNMZPZYTYJBI-UXBLZVDNSA-N 496.814 3.779 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Br)cc1 33389440 SERLIDIGIRUVCX-DTBMRADHSA-N 456.365 3.930 50 10 JHGE O=C(NNc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-])c1cccc2ccccc12 40585211 UFTXEQMAOUYDPP-UHFFFAOYSA-N 458.434 3.636 50 10 JHGE O=C(NNc1ncnc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-])c1ccccc1Br 40648851 GLVAGIOJOVRLMH-UHFFFAOYSA-N 474.231 3.556 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(C)cc(Br)cc2C)cc1 40989017 PGJNIILDJXDFJP-LDADJPATSA-N 487.350 3.720 50 10 JHGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217213557 JECMSFKNTUJUSY-SQFISAMPSA-N 495.388 3.781 50 10 JHGE N#Cc1ccc(OCC(=O)NNC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)cc1 730511952 FAAQQMSCPLZCSI-QFIPXVFZSA-N 453.857 3.697 50 10 JHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Br)cc1 1084070093 JTHTVALAJIQGGE-UHFFFAOYSA-N 486.391 3.790 50 10 JHGE CC(C)COc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1084513393 BOMOWOIFPVQIDO-UHFFFAOYSA-N 479.602 3.890 50 10 JHGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=O)c3cc4c(s3)CC[C@H](C)C4)no2)c1 1135628069 MBGROACNGPHONT-ZDUSSCGKSA-N 453.520 3.717 50 10 JHGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)Nc1ccc(Cl)cc1 1633807446 HSVHKJXJRCEUSR-UHFFFAOYSA-N 453.911 3.631 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 1666654354 VNZPCJISWVWZBL-CYBMUJFWSA-N 452.433 3.594 50 10 JHGE COc1ccccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858682556 YHHYSOMQSFVVLF-UHFFFAOYSA-N 456.386 3.766 50 10 JHGE C[C@H](Cl)CNC(=O)c1cc(O)c2cc(Br)cc(I)c2n1 1866532876 BYCLSVLSBXHRAF-LURJTMIESA-N 469.504 3.665 50 10 JHGE CC[C@@](C)(NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1ccc(SC#N)cc1 1866622266 KEVVKVZWDSLBOZ-XMMPIXPASA-N 477.546 3.968 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCCC2(CCC2)[C@H]1Cl 1924818333 OSEKDNBGHOZPOF-LPHOPBHVSA-N 453.004 3.560 50 10 JHGE C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCCSSCCNC(=O)OC(C)(C)C 2010826718 GMVHLGRLIDCCPF-SJORKVTESA-N 479.709 3.897 50 10 JHGE COC[C@](C)(CCCl)NC(=O)c1cc(I)ccc1Br 2101794728 BSHHHCQUHFIUSF-ZDUSSCGKSA-N 460.537 3.818 50 10 JHGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(CCBr)s2)CN1Cc1ccccc1 2123238253 UNYQGCKLRKLNGF-RDJZCZTQSA-N 457.459 3.969 50 10 JHGE COc1ccc(NS(=O)(=O)N2CCC(Br)CC2)cc1NC(=O)OC(C)(C)C 2162589721 TXBWZKQQILEMGY-UHFFFAOYSA-N 464.382 3.558 50 10 JHGE CC(C)[C@@H](Br)c1cn(-c2ccc(I)cc2[N+](=O)[O-])nn1 2177556379 UGOUHSIPYPRJCE-GFCCVEGCSA-N 451.062 3.872 50 10 JHGE C=C[C@@]1(CBr)COCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2199882369 RMUZNQQBERUNOC-LLVKDONJSA-N 465.616 3.505 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)CC12CCCCC2 2232245234 GEVXWMNBAPGURJ-INIZCTEOSA-N 483.428 3.565 50 10 JHGE O=C(NC[C@H](CBr)C(F)(F)F)c1c(F)cccc1I 2267701283 XAWADGLYAIRNKQ-LURJTMIESA-N 453.999 3.734 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2336325143 YSFJUZNFKNBPCD-KLHDSHLOSA-N 456.324 3.854 50 10 JHGE C[C@@H]1CC[C@H](CBr)N(C(=O)c2c(Br)c(Br)nn2C)C1 2338684917 TZSNCBWQEBPOBD-HTQZYQBOSA-N 457.992 3.581 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370249010 BQJLBAOIKAHMBH-HZGVNTEJSA-N 457.131 3.990 50 10 JHGE N#C/C(=C/NCCc1ccc(O)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216487804 GSVLASKYJMKPQD-ROMGYVFFSA-N 466.585 3.866 50 10 JHGE Cc1nc(I)c(I)n1CC1(CBr)CC1 725538327 YUVHWLVUBSUHOM-UHFFFAOYSA-N 480.913 3.576 50 10 JHGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NN(C)c2ccccn2)c1 1147924942 YJQZVFRDOODFTO-UHFFFAOYSA-N 456.955 3.898 50 10 JHGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NN(C)c2ccccn2)c1 1629711940 MZYXXIXKNCIMNU-UHFFFAOYSA-N 456.955 3.898 50 10 JHGE C#CCCCC(=O)NNC(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1646467751 CRLOTSLDDWPYRW-XMMPIXPASA-N 459.546 3.741 50 10 JHGE CCOC(=O)Cc1ncc(CBr)c(I)c1OC(F)(F)F 1848387504 AJGLZXLNNBCZAI-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC(OCc2ccccc2)C1 1903585874 MFKTXIFSOJSNON-UHFFFAOYSA-N 456.630 3.685 50 10 JHGE Cn1nc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915187544 SNXARTGDOGXYSZ-AWEZNQCLSA-N 477.222 3.547 50 10 JHGE CC1(C)CC[C@H](Br)[C@@H](CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1927094243 MIJOYMHSZIEPCA-QAPCUYQASA-N 499.471 3.818 50 10 JHGE Cc1nc(I)c(I)n1-c1ncc(CCl)cc1F 2011897262 WDVONWMMRMTMJH-UHFFFAOYSA-N 477.446 3.663 50 10 JHGE CN(C)CCN(CCBr)C(=O)c1cc(Br)c(Br)s1 2038020089 ANGWJJMIOUWLJC-UHFFFAOYSA-N 463.033 3.672 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2C[C@]2(CBr)C1 2086139349 NLLAQKJINZXBNU-SDBXPKJASA-N 484.957 3.911 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2149542612 YAPUJLZCRUKEAU-MXWKQRLJSA-N 488.039 3.863 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@H]1CCNC(=O)OC(C)(C)C 2163053448 NOWVTXJDYSEEEZ-GDBMZVCRSA-N 461.422 3.753 50 10 JHGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(CBr)cc1F 2179786803 GGZXARXVSKTRGP-UHFFFAOYSA-N 452.349 3.786 50 10 JHGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 2179863067 GRNINJQCIBXCJT-SFHVURJKSA-N 455.393 3.924 50 10 JHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC(O)(C#N)CC1 2248898977 HVNJZCUSFVXXEZ-XMMPIXPASA-N 461.562 3.817 50 10 JHGE CC(C)CN(C[C@@H](C)Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2259745315 SETWRFSLNNHOFA-MRXNPFEDSA-N 473.433 3.524 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@H]1C[C@@H](Br)CCO1 2295306949 COMFMZYTAGFDOJ-GXFFZTMASA-N 469.999 3.813 50 10 JHGE O=C(c1cc(I)sn1)N1Cc2ccccc2C[C@@H]1CBr 2296504409 UKZJCTYSUSGCFD-LLVKDONJSA-N 463.138 3.710 50 10 JHGE COC(=O)c1ccc2c(O)nc(COC(=O)C(C#N)=Cc3cc(C)n(CC(C)C)c3C)nc2c1 2297393022 AZLBGTCCJXTSIY-UHFFFAOYSA-N 462.506 3.847 50 10 JHGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 2314738553 KMKGCYFIUPIKPL-UHFFFAOYSA-N 455.379 3.509 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NN=Cc4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 2325903312 WJYZEKBADBJUKW-RYUDHWBXSA-N 473.942 3.856 50 10 JHGE CN1CCN(Cc2cc(I)ccc2Cl)[C@@H](CCBr)C1 2352415577 JUTPNPMNQZZKLI-ZDUSSCGKSA-N 457.581 3.846 50 10 JHGE BrC1CCC([C@H]2CCN(Cc3ncc(I)cn3)C2)CC1 2381287305 CFFDULKBZSHUJA-CPCZMJQVSA-N 450.162 3.857 50 10 JHGE CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2cc(Br)c(OC)cc2OC)cc1 12579137 BYSCWCSYGRIOEA-YDZHTSKRSA-N 478.343 3.734 50 10 JHGE CCOc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 13620740 HTLYYQHIQDCUQN-BJMVGYQFSA-N 498.171 3.850 50 10 JHGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 14034495 YPFIRTSPGHAZSG-UHFFFAOYSA-N 464.385 3.823 50 10 JHGE CCCCC/C(C)=N/NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 20073140 XFDZCKWQJHQYEE-JAMLUQCHSA-N 485.497 3.622 50 10 JHGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)CN3CCCc4ccccc43)c3ccccc3C2=O)c(C)c1 38183829 MOGBHTOKGKKNBE-JJIBRWJFSA-N 480.568 3.905 50 10 JHGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2Br)c(OC)c1 40876744 RHTZLRXJLFCUGP-XNTDXEJSSA-N 460.280 3.912 50 10 JHGE C/C(=N/NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc2c(c1)OCO2 89637171 CRWVNHRAASEWCX-ITYLOYPMSA-N 479.558 3.698 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)c1C 96447612 GZMMPCOUTHTSMD-WQRHYEAKSA-N 462.531 3.624 50 10 JHGE CCOc1cc(/C=C\C(=O)NNC(=O)COc2ccccc2OC)ccc1OCc1ccccc1 96545144 YPOKCYIGBVRPDT-PEZBUJJGSA-N 476.529 3.913 50 10 JHGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1cccc(Br)c1 100446266 DWIBBDOZHPZSSD-UHFFFAOYSA-N 462.525 3.705 50 10 JHGE Nc1ccccc1C(=O)N/N=C(C(=N\NC(=O)c1ccccc1N)\c1ccccc1)/c1ccccc1 101321028 CEBRZXKOIWRFMF-IEPGDLOPSA-N 476.540 3.819 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H]1Br 387950626 WACRERGEEAYGKY-HQJQHLMTSA-N 472.946 3.909 50 10 JHGE CN(C)C[C@H](Br)CN(C)C(=O)c1cc(Br)cc(Br)c1 690330974 GLWSNKMZANYPLJ-LBPRGKRZSA-N 457.004 3.609 50 10 JHGE CN(CCBr)CCN(C)C(=O)c1cc(Br)cc(Br)c1 691338651 RXQGTBSOJLSIEB-UHFFFAOYSA-N 457.004 3.610 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC2CC(CBr)C2)cc1Br 698962561 SYFAQFOINFTPAO-UHFFFAOYSA-N 476.028 3.972 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCOC[C@H]1CCBr 702194304 MCUIOZYOZOJFND-SNVBAGLBSA-N 458.521 3.571 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCC#N)cc2Br)cc1 725381284 RXNDYODKRBFYRI-LJQANCHMSA-N 490.354 3.723 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c(-c2ccccc2)n1 761374224 AMLUBYHACBLCQC-HKWRFOASSA-N 483.532 3.864 50 10 JHGE C#CCCCC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1635718280 CRLOTSLDDWPYRW-DEOSSOPVSA-N 459.546 3.741 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)cc1 1772746249 SWYPOEQQLMTJHI-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE CSCC[C@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867158441 FKIKJZYTDPNMCT-KRWDZBQOSA-N 452.565 3.535 50 10 JHGE O=C(c1sccc1I)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924243383 WJFVCJLYXUHYKU-TVQRCGJNSA-N 456.143 3.511 50 10 JHGE CCOC(=O)c1cc(I)cc(CBr)c1I 2055233065 RWLVXJRXUHIKRV-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE Cc1c(I)ccc(I)c1C(=O)CBr 2060159715 VEDYAPNKXJPBHV-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE C[C@]1(CCl)COCCN1C(=O)c1cc(Br)ccc1I 2112716640 SEGUMLRNMRSYNX-ZDUSSCGKSA-N 458.521 3.524 50 10 JHGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2144839212 VAUFXCJYGVCJRE-ROUUACIJSA-N 469.832 3.940 50 10 JHGE CO[C@H](CCBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2168515419 DZPPRRQQDRBJMM-MRVPVSSYSA-N 470.010 3.834 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC[C@H]2[C@H](C1)C2(F)F 2179784873 FJJXZMXFKIBXIF-YUMQZZPRSA-N 451.152 3.681 50 10 JHGE C[C@H]1[C@H](CN(C)S(=O)(=O)c2cc(CBr)sc2Br)C1(F)F 2179789436 QKHMUVRGNZQLPD-XPUUQOCRSA-N 453.168 3.927 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239894412 VRLZYUNRCHGWTO-HZMBPMFUSA-N 470.532 3.571 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)ccc1B(O)O 2268641185 APZGKYHVQAKVFZ-QYBDOPJKSA-N 486.377 3.567 50 10 JHGE Cc1cc(C(=O)NC[C@H]2CC[C@H](CBr)CO2)ccc1I 2279420462 HBVLLNRXQJGJCJ-DGCLKSJQSA-N 452.130 3.520 50 10 JHGE COc1ccccc1C=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 2314734436 AGNJPHSFEYDKDG-UHFFFAOYSA-N 452.492 3.647 50 10 JHGE CC(C)[C@H]1[C@@H](Br)CCN1C(=O)c1c(Br)c(Br)nn1C 2338689643 XLQMCZPGRCAADG-CBAPKCEASA-N 457.992 3.579 50 10 JHGE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 2365623245 VPWRSVOUMMYMAT-INIZCTEOSA-N 461.422 3.992 50 10 JHGE O=C1C(/C=N/NC(=O)c2ccccc2)=CC(Cc2ccccc2)=C/C1=C/NNC(=O)c1ccccc1 8553691 UYTPCCLVOFULPL-WPUROATBSA-N 476.536 3.899 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)ccc1Br 12485221 FQDOTAVHDHONIM-UHFFFAOYSA-N 462.127 3.670 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)c1 12573248 XWNRJIABHSINKC-UHFFFAOYSA-N 478.412 3.904 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(Br)cc2C)c(OC)c1 33716712 INSQUEDKPQECLJ-BOPFTXTBSA-N 485.334 3.960 50 10 JHGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)CC1 40811785 JEWLCPCSZDHSNM-XIEYBQDHSA-N 487.398 3.599 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 40878807 GRAGTZKORHOSJY-XMHGGMMESA-N 466.534 3.647 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1cccc(Br)c1 40879229 BTDSLPMVKDEIMI-CXUHLZMHSA-N 473.323 3.874 50 10 JHGE O=C(N/N=C1\CC(=O)c2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 102934025 WAPNXKDQTOKYNG-HIXSDJFHSA-N 453.907 3.861 50 10 JHGE COc1cc(/C=C/C#N)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 207219513 CNRVIQPPZOVXPS-VOTSOKGWSA-N 463.446 3.902 50 10 JHGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)NC(c2ccccc2)c2ccccc2)c1 216976555 DMORAFHPSLXYQC-FXBPSFAMSA-N 469.497 3.985 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](OC(C(F)(F)F)C(F)(F)F)[C@H](I)C1 226033766 GBQSCAKNUAQPOL-RQJHMYQMSA-N 463.156 3.919 50 10 JHGE CC(=NNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 252636502 XJBATGWHFYFQQM-UHFFFAOYSA-N 460.903 3.758 50 10 JHGE BrCCc1cn(-c2ccc(I)cc2Br)nn1 300901154 LJNLLVPZGGHBEC-UHFFFAOYSA-N 456.907 3.572 50 10 JHGE Cc1ccccc1CNC(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 748915556 CFHQXZZWVWMMQS-HMAPJEAMSA-N 453.502 3.539 50 10 JHGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 1084135599 QHOCBSGBNIRFBM-UHFFFAOYSA-N 469.538 3.960 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)cc1 1476198928 SWINKHJJHUVFQL-AWEZNQCLSA-N 453.417 3.759 50 10 JHGE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)ccc1F 1596769571 IRDFWZROTWLJCB-QGZVFWFLSA-N 456.656 3.916 50 10 JHGE Cc1csc2nc(Cl)c(/C=N/NC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)n12 1860773772 DYUJKCHQHRBEPL-DUFUPRCHSA-N 489.026 3.965 50 10 JHGE COc1ccc2c(c1)c(/C=N\NC(=O)[C@@H](C)n1cnc3sc4c(c3c1=O)CCCC4)cn2C 1860773901 JLYTWONUNLRFHA-DINRCVPDSA-N 463.563 3.548 50 10 JHGE CC(C)(CI)CN=[S@]1(=O)CCN(C(=O)OC(C)(C)C)CC1(C)C 1904649145 QEBYCNXXDXMZFZ-QHCPKHFHSA-N 458.406 3.945 50 10 JHGE CN1CC[C@@H]([C@@H](Br)c2ccc(Br)cc2Br)S1(=O)=O 2029047705 VEMWXVCBJZJUDS-QWRGUYRKSA-N 462.001 3.682 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(CBr)CCCC1(C)C 2094157144 WTNJTXVDAYSNKZ-OAQYLSRUSA-N 485.444 3.572 50 10 JHGE CN([C@@H]1CCCCC[C@@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2115919345 SBISECIKIFAVGD-ZWKOTPCHSA-N 485.444 3.667 50 10 JHGE O=C(N[C@@H](CBr)c1cscn1)c1cc(I)ccc1F 2119040019 PSYVSVCLRCYLMX-JTQLQIEISA-N 455.090 3.753 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(NS(=O)(=O)c2ccc(CBr)cc2)C1 2162598553 BCXNZXPQCOJPBG-DNVCBOLYSA-N 459.406 3.649 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC(CCCCBr)CC1 2267934866 DRZNXPLUERQDDL-UHFFFAOYSA-N 485.444 3.670 50 10 JHGE CCC[C@@](C)(CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316828186 YYYQEGBCWOPXOV-FQEVSTJZSA-N 473.433 3.716 50 10 JHGE O=S1(=O)CC[C@H](C(CCl)(CCl)Cc2sccc2I)C1 2338749388 JHBRWMCDVXHWTI-VIFPVBQESA-N 453.194 3.794 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CCC[C@]2(CCl)C1 2364214649 OPGXXZWOEXLKQQ-VGSWGCGISA-N 453.004 3.514 50 10 JHGE O=C(NNC(=O)c1ccccc1Br)c1ccc(SC[C@@H]2CCCO2)c([N+](=O)[O-])c1 3021030 QPMJRHKZEATWSY-ZDUSSCGKSA-N 480.340 3.703 50 10 JHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)c1C 10324930 MJSYQOFOANTZKI-UHFFFAOYSA-N 477.586 3.639 50 10 JHGE COc1cc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc(OC)c1OC 12503684 IZRMQQZRWLOFBP-UHFFFAOYSA-N 479.967 3.530 50 10 JHGE COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2cc3ccccc3o2)cc1OC 59304760 AKZKXRYTMYNWEW-LSHDLFTRSA-N 461.268 3.520 50 10 JHGE Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(COc2ccc(Br)cc2)o1 107848330 RSNYGLRGIOTZSV-UHFFFAOYSA-N 497.143 3.797 50 10 JHGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)ccc1OC(=O)/C=C\c1ccccc1 254312877 XYUVUWWOCGVBQJ-APEBYOCDSA-N 461.449 3.542 50 10 JHGE C[C@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1 761399704 BUSNTDPPBHZWHO-JIHKLPAASA-N 474.908 3.990 50 10 JHGE C=CCn1c(SCC(=O)NNc2c(F)c(F)nc(F)c2F)nnc1-c1ccc(Cl)cc1 915775326 ZUQXUDFPYKMTHU-UHFFFAOYSA-N 472.855 3.971 50 10 JHGE COc1ccc(NC(=O)NN=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 1084005664 WSGQEPUDOPGBDM-UHFFFAOYSA-N 450.451 3.655 50 10 JHGE COc1cc(C(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)cc(OC)c1OC 1084034063 CSKBDKBPQGTFDI-UHFFFAOYSA-N 464.474 3.754 50 10 JHGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c1C 1084348471 RYRBVRLKDHSAMK-JOCHJYFZSA-N 450.495 3.975 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)cc1 1084534773 HZQIWLUMWVQFCL-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE CCOc1ccc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1 1084647617 AMWPCSBZTFUFBM-UHFFFAOYSA-N 481.574 3.830 50 10 JHGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714355 IDQUVQIQKWKWDO-HXUWFJFHSA-N 450.470 3.574 50 10 JHGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CC(Br)C1 1893137156 PEJLUHTVEOQLBA-AGERRDQYSA-N 455.393 3.775 50 10 JHGE BrC[C@@H]1C=CCCN1c1ncc(I)cc1Br 1988535310 WTBAWGHGNTWZND-VIFPVBQESA-N 457.935 3.979 50 10 JHGE CCN1CCC[C@@H]([C@@H](Br)c2sccc2I)S1(=O)=O 2029061566 BJOCUVPTTLSNAW-VHSXEESVSA-N 464.188 3.603 50 10 JHGE O=C(CCCCBr)N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2044264232 OUWXMNTYULSYSM-GOSISDBHSA-N 453.377 3.628 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2scc(Br)c2Br)C1 2046663201 FTHWKCONEAZLJI-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2132544042 PFRBQBIXOVKHBB-QMSLJYSESA-N 474.012 3.755 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](C2(NS(=O)(=O)c3ccc(CBr)cc3)CC2)C1 2162588552 HFLNXDXCAWMFSP-OAHLLOKOSA-N 459.406 3.649 50 10 JHGE O=S(=O)(N[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)F)c1ccc(CBr)cc1 2193240988 XDOUJCLMOXEYEI-MSOLQXFVSA-N 459.356 3.626 50 10 JHGE Clc1cc(CN2C[C@H]3COC[C@@]3(CBr)C2)ccc1I 2226177478 XMLWRMWJNZJITG-SMDDNHRTSA-N 456.549 3.788 50 10 JHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)ccc1B(O)O 2268644165 APZGKYHVQAKVFZ-QYBDOPJKSA-N 486.377 3.567 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@H]2OCC[C@@]2(CBr)C1 2278861831 KEUDLBYJCIKSBN-BXKDBHETSA-N 474.012 3.899 50 10 JHGE CSSCCNS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282870958 ZRBUXBPJSMERDG-UHFFFAOYSA-N 458.263 3.582 50 10 JHGE CC(C)CN(C[C@H](C)Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338844957 LKKOYZPXKHNDPI-KRWDZBQOSA-N 487.460 3.914 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)CC12CCC2 2338849066 CSVNZQGEVWAVCF-MRXNPFEDSA-N 483.428 3.565 50 10 JHGE O=C(c1cc(I)ccc1Br)N(CCCl)C1CCOCC1 2381888621 VSMHMSUUGGBVBK-UHFFFAOYSA-N 472.548 3.914 50 10 JHGE O=C(NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 13976649 WTDOWYWBTQKMQO-UHFFFAOYSA-N 454.895 3.865 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1 14650311 IYYNNSWNXUWIRN-UHFFFAOYSA-N 450.358 3.577 50 10 JHGE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1 24004869 BGEPWVONIOZRFE-MEGCXXLRSA-N 464.566 3.988 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(O)cc3)n2-c2ccccc2)cc1 33089382 FBBMKEVTUVECPY-MYYYXRDXSA-N 459.531 3.891 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 38688604 ICZZIYRVEHJXKC-RPBOFIJWSA-N 486.480 3.667 50 10 JHGE O=C(NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1cccc(Cl)c1 40658571 WAKGFXCLQMVGCX-UHFFFAOYSA-N 477.868 3.705 50 10 JHGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)COc3ccc(C)c(Cl)c3)c3ccccc32)cc1 59153061 BSEYHILVDUPZCH-QCWLDUFUSA-N 490.947 3.841 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)c2nc3ccccc3s2)c1C 59153136 RQIHWBPJLVMCTA-SSDVNMTOSA-N 450.480 3.780 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N3CCOCC3)c(Oc3ccc(C(C)(C)C)cc3)nc12 102988719 HYEBHMJODXBRDI-MNDPQUGUSA-N 472.545 3.859 50 10 JHGE C[C@H](Cl)c1cnnn1-c1cc(I)cc(I)c1 690364935 AKZNLMLWGRPFGD-LURJTMIESA-N 459.456 3.776 50 10 JHGE COc1ccc(C(=O)COC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1OC 786305116 FLIIFSRQMZJJLC-IQKNENRKSA-N 452.507 3.634 50 10 JHGE CCOc1ccc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1083947055 GFMRXRJFZBACMB-KRWDZBQOSA-N 452.292 3.654 50 10 JHGE CC(=O)[C@@H]1CC(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)=NN1c1ccccc1 1540376785 VNGLFSJXXOSOKX-IBGZPJMESA-N 450.495 3.539 50 10 JHGE Cc1cc(C(=O)NCC(=O)Nc2ccc(SC#N)cc2)nn1-c1ccc(Br)cc1 1868140106 XQXZCSNWMLWGDD-UHFFFAOYSA-N 470.352 3.885 50 10 JHGE O=C(N[C@H](CCS(=O)(=O)CC1CC(Cl)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1991717703 ANUURDVRLYGSHC-WTOQYCPUSA-N 491.993 3.801 50 10 JHGE CCOC(=O)Cc1cc(I)cc(CCl)c1I 2055323754 RTIYLOCOSXKJDL-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1ccc(I)c(Cl)c1 2097944166 BKWMGJTVGQBVPH-ZJUUUORDSA-N 458.521 3.617 50 10 JHGE CC1(C)CO[C@H](CBr)CN1C(=O)c1cc(Cl)ccc1I 2167531281 GXXXSTNOMLUKBT-SNVBAGLBSA-N 472.548 3.959 50 10 JHGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2cc(CBr)ccn2)C1 2179807869 AENKRUAVSRABBN-IBGZPJMESA-N 452.418 3.652 50 10 JHGE COC1(CBr)CCN(C(=O)c2ccc(C)c(I)c2)CC1 2232830165 LKNNFFQCUDODQN-UHFFFAOYSA-N 452.130 3.616 50 10 JHGE CC(=O)Nc1ccc(C(C)=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 2297635218 NLCXKJRYRGAFTP-UHFFFAOYSA-N 456.549 3.661 50 10 JHGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc(Br)c1O 2328821180 YQBAPIOXTNRDMH-LRDDRELGSA-N 472.380 3.943 50 10 JHGE CC(C)[C@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2344710811 NTMHKNMVXZUNMK-VQIMIIECSA-N 485.444 3.667 50 10 JHGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2355845348 MZKWOSHQKTUJPW-ANULTFPQSA-N 455.462 3.724 50 10 JHGE O=C(N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1cncc(Br)c1 3186441 UKECJPWIDYSBHY-AUEPDCJTSA-N 469.251 3.735 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc(C)c1Cl 14833957 LWFABIIDEBZKSU-VMPITWQZSA-N 452.363 3.724 50 10 JHGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])c1 40657830 AUELSLXTDMSGCF-UHFFFAOYSA-N 456.846 3.715 50 10 JHGE C[C@@H](Cl)c1cn(-c2cc(I)cc(I)c2)nn1 690364955 SEGRQJINDZFJHA-ZCFIWIBFSA-N 459.456 3.776 50 10 JHGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNc1nc(-c2ccncc2)no1 726376831 GAVLBPMVAIFMBM-INIZCTEOSA-N 463.325 3.726 50 10 JHGE CC(C)c1ccc([C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c2cccs2)cc1 913627819 AOGIAGURFDNFEW-OAQYLSRUSA-N 461.551 3.581 50 10 JHGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 1083996645 OMAUEYRPPNROSG-UHFFFAOYSA-N 494.935 3.845 50 10 JHGE CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)NN(C(=O)c2ccccc2)C(C)(C)C)c1 1088716090 RJUMSGDTDKXFLV-UHFFFAOYSA-N 452.964 3.568 50 10 JHGE CCc1nn(CC)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700663 ANRXYRSRARNRJR-ZDUSSCGKSA-N 468.149 3.914 50 10 JHGE N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 1866127613 VBGNNPZWZDYHDX-SDNWHVSQSA-N 457.874 3.616 50 10 JHGE COC(=O)c1cc(I)cc(I)c1CBr 2055331509 OXHIFUOOQMASEU-UHFFFAOYSA-N 480.865 3.577 50 10 JHGE CCc1nn(C)c(CNCCSSCCNC(=O)OC(C)(C)C)c1Br 2072254720 GARVSDSQEPSXFS-UHFFFAOYSA-N 453.472 3.741 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@@H](CBr)C2)cc1Br 2090073373 SYFAQFOINFTPAO-DTORHVGOSA-N 476.028 3.972 50 10 JHGE CC1(C)C[C@](C)(CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2134834553 JVUPXOQPDQSIRB-OAQYLSRUSA-N 485.444 3.668 50 10 JHGE C[C@H]([C@H](Br)c1ccc(Cl)c(I)c1)S(=O)(=O)N(C)C 2256330708 CQOOZJSPANKSJS-HQJQHLMTSA-N 466.566 3.661 50 10 JHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1C 2268645120 OCTKSZLAFTXGLZ-MRDQGFSESA-N 486.377 3.567 50 10 JHGE Cc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2269561290 CYUWUQWNWIPQFI-AREMUKBSSA-N 486.377 3.567 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2C[C@@H]1[C@@H]2CBr 2311867899 YLZKRGDWTQLTNR-NYRNMGCKSA-N 484.957 3.909 50 10 JHGE C=CCN1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)O)SC1=NNC(=O)Cc1ccccc1 2314397311 AEJCVTQQIDHXIQ-UHFFFAOYSA-N 485.949 3.536 50 10 JHGE CC(C)[C@H](Br)CN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826695 JRHQYADOMHVYDS-GOSISDBHSA-N 473.433 3.524 50 10 JHGE COc1ccc2c(c1)c(C=NNC(=O)[C@H](C)n1cnc3sc4c(c3c1=O)CCCC4)cn2C 2325902950 JLYTWONUNLRFHA-AWEZNQCLSA-N 463.563 3.548 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@]1(C)CCC[C@H]1Br 2338670113 MPWUUNBJUQEFED-KRTXAFLBSA-N 457.992 3.629 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CCl)C[C@H]2CCC[C@@H]21 2364202046 NTXCHIWGUKCZKE-UWVAXJGDSA-N 453.004 3.655 50 10 JHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 13989267 IKFHAWBMYAKGMX-LBPRGKRZSA-N 486.160 3.514 50 10 JHGE O=C(CNc1c(Br)cc(Br)cc1Br)N/N=C\c1ccncc1 32926520 OXBPZVAMEBKTNX-SCDVKCJHSA-N 490.981 3.931 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 38683312 CGUJUJLZFNXYKK-VWLOTQADSA-N 470.481 3.984 50 10 JHGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccc(OC)cc4)cc3)nc2s1 102466599 XSSCBHHXURPQSK-ATVHPVEESA-N 487.541 3.847 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 168205616 COWLYTCIGXVAED-APPZFPTMSA-N 482.021 3.929 50 10 JHGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1 217187221 PUZLECDIPPIINI-OZNYCYRCSA-N 476.577 3.525 50 10 JHGE CN(CCC(CBr)(CBr)c1cccc(Br)c1)S(C)(=O)=O 706394170 IUUPWTGMNHOISM-UHFFFAOYSA-N 492.071 3.758 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(I)cc2)cc1 725433430 HFXJDILYLIOMSK-GOSISDBHSA-N 452.292 3.654 50 10 JHGE CC(C)Cn1ncc2cc(C(=O)NNC(=O)c3ccc(Br)cc3Cl)cnc21 728827737 ZBBJPLMHGXFPKX-UHFFFAOYSA-N 450.724 3.578 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1084219057 ZOQSVCNTMJATQD-UHFFFAOYSA-N 464.503 3.740 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(F)cc(F)c2Br)cc1 1466178707 KKZZMLLJECWOMQ-JTQLQIEISA-N 456.243 3.550 50 10 JHGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccco2)CCC3)cc1OC 1772747976 WRFJWWNFNCUJRH-UHFFFAOYSA-N 465.506 3.641 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=S)Nc2ccccc2)CCC3)cc1 1772751367 PZLXMCKOQGKVFN-UHFFFAOYSA-N 491.573 3.698 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CC[C@@H]1OCc1ccccc1 1904301661 VPNOPVVGIFWVIX-UWJYYQICSA-N 456.630 3.685 50 10 JHGE CC(C)c1nc(Br)c(Br)n1CCOCCI 1904653104 ILPHZRGLHIQFTE-UHFFFAOYSA-N 465.955 3.983 50 10 JHGE BrC[C@@H](CC1CC1)Cn1cnc(I)c1I 1961125115 FXEJWOZUCCTYRG-MRVPVSSYSA-N 494.940 3.904 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2040608978 XLZXGYIZQVBYTJ-FXQIFTODSA-N 459.985 3.507 50 10 JHGE O=C(NCC[C@H]1COC[C@H]1Br)c1csc(Br)c1Br 2048708188 WMXNECOLAFIHSV-POYBYMJQSA-N 462.001 3.803 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Br)sc2Br)C[C@H]1Br 2067181881 GHHJZZKEVDNPJJ-UIISKDMLSA-N 462.001 3.944 50 10 JHGE O=C(O)COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCl)cc1 2070372164 GHTPCWCAECKBKR-QGZVFWFLSA-N 451.704 3.829 50 10 JHGE C=C[C@@]1(CBr)COCCN1c1ncc(I)cc1Br 2079204443 UWHNAJHYBNYOPQ-GFCCVEGCSA-N 487.961 3.605 50 10 JHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1cc(Br)ccc1Br 2097945428 KOWJAVLSTASSHC-VHSXEESVSA-N 455.972 3.884 50 10 JHGE O=C(c1sccc1I)N1CCC(COCCBr)CC1 2111105601 ZPKJEPFEQPOZMD-UHFFFAOYSA-N 458.159 3.616 50 10 JHGE COC[C@@]1([C@H](Br)c2cc(I)cc3c2OCC3)CCCO1 2146841631 KRWRJBHWXDJVKO-HUUCEWRRSA-N 453.114 3.858 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C2(CCC2)C1 2163055723 KOIOZTZBVSJAMX-OAHLLOKOSA-N 459.406 3.792 50 10 JHGE O=C(c1cc(I)ccc1O)N1CC[C@H](Br)CC12CCC2 2169890998 ZOFUFHXXFBQOKK-JTQLQIEISA-N 450.114 3.919 50 10 JHGE CC(C)(C)OC(=O)NCC1CC(F)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2172279941 NJVXGGLFBBTVQA-UHFFFAOYSA-N 465.385 3.503 50 10 JHGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccc(F)cc1 2295924224 DJZLKIQIUMWXFR-UHFFFAOYSA-N 463.943 3.532 50 10 JHGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2C)c(OCC)c1 2314808147 DECKZEIIHMROIG-UHFFFAOYSA-N 454.435 3.756 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)c1ccnn1Cc1ccccc1 2325073703 KDFSJONLCSSRCL-JOCHJYFZSA-N 480.656 3.727 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)CCO1 2340051574 FFZRFDRRGCPLBQ-PELKAZGASA-N 458.521 3.569 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2344149098 IIDWRBKOCYCBDH-QDIHITRGSA-N 456.324 3.854 50 10 JHGE CC1CCC([C@@H](CBr)NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2379736268 JHOIJKPUTKBKBF-LADRWXRNSA-N 499.471 3.818 50 10 JHGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041909 WKGUDILKKKUYFR-UHFFFAOYSA-N 475.570 3.822 50 10 JHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCC)cc2)c(OC)c1 33706498 JGSUCJWTUUBXQN-FGBZTSAVSA-N 457.486 3.816 50 10 JHGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 35304857 CBKPHQCVIXSTDD-AQTBWJFISA-N 489.488 3.970 50 10 JHGE COc1cccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])c1 40586881 QEZWFRNUPYBNNT-UHFFFAOYSA-N 459.260 3.656 50 10 JHGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40782892 QCJLNCGZXRIUAC-UHFFFAOYSA-N 468.517 3.864 50 10 JHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1O)CCC2 40826320 NVMWAWHMOLAZFM-OVVQPSECSA-N 475.501 3.827 50 10 JHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)CSc1ccccc1 59146891 SVZDPGUKCZOPPU-SRZZPIQSSA-N 454.468 3.548 50 10 JHGE CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)CO2 97071014 RYPPYCOPMQMUEP-NUYDQDRBSA-N 478.299 3.651 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCOC[C@@H](Br)C1 399932972 NHFZGXZIEGJEKF-QMMMGPOBSA-N 467.994 3.540 50 10 JHGE Cn1cnnc1CC(CBr)(CBr)c1ccccc1Br 689533238 RNSMCQBTQXSBHX-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE COc1ccc(C(=O)NNS(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)c(OC)c1 731178911 YOIFVMUSWNVKLF-UHFFFAOYSA-N 462.911 3.773 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccccc2Br)c1C 853510906 HYCJQBMDNSSUJF-JIHKLPAASA-N 474.355 3.991 50 10 JHGE COc1cccc(N(CC(=O)NN=Cc2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)c1 1084220007 MPZQYWFIBWCFLA-UHFFFAOYSA-N 465.575 3.966 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC=C[C@@H](Br)C1 2026221812 PRRLREFWDGHGMX-SECBINFHSA-N 470.930 3.829 50 10 JHGE C[C@@H]([C@@H](Br)c1ccc(Br)cc1Br)S(=O)(=O)N(C)C 2029073681 GECMJLQDUIAPSW-WRWORJQWSA-N 464.017 3.928 50 10 JHGE Cc1cnc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1 2078761017 YSHGHXSXDBXXME-UHFFFAOYSA-N 450.424 3.788 50 10 JHGE COC1(CCNC(=O)c2ccc(CBr)cc2)CN(C(=O)OCc2ccccc2)C1 2111366923 XCZIKHHWAMGYJS-UHFFFAOYSA-N 461.356 3.739 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2cc(Cl)ccc2I)C1 2121337305 MDEJAUWKSBLVGY-OKAXRFMISA-N 476.476 3.813 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@]2(CBr)CCC[C@H]12 2165253369 XWXQHOKDXHOYGL-PGRDOPGGSA-N 497.455 3.668 50 10 JHGE O=S(=O)(c1occc1CBr)N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2179832908 QHYIWIJESWXGFG-RBUKOAKNSA-N 453.402 3.850 50 10 JHGE CC(C)[C@@H]1[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2182715429 LOSDSHGGNIUBJU-DLBZAZTESA-N 461.422 3.894 50 10 JHGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1ccc(I)c(Cl)c1 2185318358 KLWWGORELQPKKS-KOLCDFICSA-N 472.548 3.959 50 10 JHGE Clc1ccc(I)c(CN2C[C@H]3OCC[C@]3(CBr)C2)c1 2278929993 KYXFJFGDTWARAZ-KGLIPLIRSA-N 456.549 3.930 50 10 JHGE Cc1ccc(C(=O)NC[C@H]2CC[C@@H](CBr)CO2)cc1I 2279404608 AXJVBVKMLYFNER-WCQYABFASA-N 452.130 3.520 50 10 JHGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2325141718 KGSMAHLRJBDGCJ-UHFFFAOYSA-N 488.569 3.831 50 10 JHGE Cc1nc2scc(C)n2c1C=NNC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 2325903893 CUBUVVVFHKVNQM-UHFFFAOYSA-N 476.587 3.910 50 10 JHGE CN([C@@H]1CCCC[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338848946 BPYDFJZILODDHH-RBUKOAKNSA-N 485.444 3.811 50 10 JHGE ClC[C@@H]1CO[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]12 2349830913 AHTGIVXNPLCJNP-GYSYKLTISA-N 456.549 3.739 50 10 JHGE CCOCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 9825592 WGHAXMQPMHUMEK-UHFFFAOYSA-N 468.337 3.589 50 10 JHGE COc1ccc(-c2cc(C(=O)NNC(=O)Cc3cccc(O)c3)c3ccccc3n2)cc1OC 60358558 RCRPOYBDZSRYJA-UHFFFAOYSA-N 457.486 3.628 50 10 JHGE COc1ccc(CN2C(=O)/C(=C/NNC(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)cc1 96634886 NHKQQBLZHKAFJY-HYARGMPZSA-N 461.905 3.807 50 10 JHGE Cn1cc(Br)cc1C(=O)NNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 108846280 DXLPKYUUFZDMEF-UHFFFAOYSA-N 495.333 3.790 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 206434862 FGVFABLYSLWWSU-WQRHYEAKSA-N 461.430 3.947 50 10 JHGE C=CCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(OCC)c(OC)c3)cc2oc1=O 206543434 WJIZTONJEIOMSE-WQRHYEAKSA-N 474.469 3.629 50 10 JHGE COC[C@@H](CCBr)NC(=O)c1cc(I)ccc1Br 228246247 BSUMKLDTNDQLMC-SECBINFHSA-N 490.961 3.584 50 10 JHGE COCCn1c(C)cc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1C 254706113 KLNOTDQVTLBESK-UHFFFAOYSA-N 488.997 3.969 50 10 JHGE COc1ccc(COc2ccc(C=NNC(=O)CSc3nc4ccccc4n3C)o2)cc1 1083844922 YYHJKSAKTBWZFF-UHFFFAOYSA-N 450.520 3.996 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccccc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084148385 HHEUPUMCAAMCMH-UHFFFAOYSA-N 478.417 3.885 50 10 JHGE CC(=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc2c(c1)OCO2 1084474364 WKWWFCMPZOJLHM-UHFFFAOYSA-N 472.530 3.691 50 10 JHGE C#CCCCC(=O)NNC(=O)[C@@H](CC(=C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1639192262 PIWXHIQCJAZXNL-XMMPIXPASA-N 459.546 3.811 50 10 JHGE CCOC(=O)Cc1c(I)cnc(OC(F)(F)F)c1CBr 1848387566 FDHNLCMKQPVKDS-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)Nc4ccc(Cl)cc4)c(=O)c23)cc1 1860770333 DIQGRFQXADZBER-UHFFFAOYSA-N 467.938 3.940 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 1866130160 DTGHSCGAQFNEOK-BTUGVJQXSA-N 476.554 3.942 50 10 JHGE O=C(NC[C@H](Br)C1CC1)c1ccc(Br)cc1I 2026219552 XDUZAJSENBFSOL-JTQLQIEISA-N 472.946 3.957 50 10 JHGE O=C(c1sccc1I)N1CC[C@@H](CBr)C(F)(F)C1 2029709251 TZHRQPUYMJTLDK-ZETCQYMHSA-N 450.086 3.845 50 10 JHGE COc1ccc(C=CC(O)=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1OC 2040465265 FVVJWYSZZNNKCQ-UHFFFAOYSA-N 459.506 3.627 50 10 JHGE CC(=O)N(c1ccccc1)c1nc(C=C(C#N)c2nc(=N)[nH]c(=Nc3ccccc3)[nH]2)cs1 2041505243 WIDOAEWXSBLQBL-UHFFFAOYSA-N 454.519 3.655 50 10 JHGE CC1(C)CN(c2ncc(I)cc2Br)C[C@H](CBr)O1 2069530114 VNVQNFWWLUNFEL-VIFPVBQESA-N 489.977 3.827 50 10 JHGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1 2084287987 QAXHERFYWUUECY-ZPHPHTNESA-N 492.469 3.824 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2c(Br)cccc2Br)C1 2109022703 VKFOWBABTIJAAU-IUCAKERBSA-N 455.972 3.836 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H]1C[C@@H]2Br 2115435667 WVSPWPDEGJZNFA-HDBBIHSSSA-N 474.012 3.758 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCO[C@@H](CCCl)C1 2116238716 MFGDAOUOHDLMDW-JTQLQIEISA-N 458.521 3.524 50 10 JHGE CN1CCN(C(=O)c2c(Br)cccc2Br)[C@H](CCBr)C1 2202810907 BOPXBWTVTNVVNU-SNVBAGLBSA-N 469.015 3.753 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@@H](CBr)C[C@@H]2CCOC2)c1 2240900381 CSBVZOSGJKXXJT-NWDGAFQWSA-N 452.130 3.520 50 10 JHGE CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)n1 2296856704 FPZKZEVHTGLXGP-UHFFFAOYSA-N 482.971 3.649 50 10 JHGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2cc(OC)c(OC(C)=O)c(OC)c2)s1 2297616765 WHEZMDXMCOBXDH-UHFFFAOYSA-N 472.519 3.975 50 10 JHGE CCC[C@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824531 MXRFZBYOXVZCBU-MRXNPFEDSA-N 473.433 3.574 50 10 JHGE O=S1(=O)CC[C@@H]([C@@H](CBr)Cc2ccc(Cl)c(I)c2)C1 2337226028 SLDFZMSJLFBWRO-GHMZBOCLSA-N 477.589 3.933 50 10 JHGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)N1CC(OCc2ccccc2)C1 2340663017 TUFUXLQJSNXXQB-KRWDZBQOSA-N 459.431 3.652 50 10 JHGE O=C(CCC(=O)OCCCc1ccccc1)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13998713 XWCUTIAVAJZPKA-UHFFFAOYSA-N 479.577 3.923 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)[C@@H](NC(=O)Cc2cccs2)C(C)C)o1 17150251 VBQHVAXUGGOHMS-XIERNQRLSA-N 484.534 3.759 50 10 JHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2ccccc2)c(Br)c1 33561859 NMQFKRSYWRRLTM-XFXZXTDPSA-N 490.423 3.861 50 10 JHGE N#C/C(=C/c1ccc(OC(=O)c2cccnc2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 33783841 RUBMHYJEXVSXDN-XLNRJJMWSA-N 478.512 3.782 50 10 JHGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2cccc(Cl)c2)c1[N+](=O)[O-] 40658628 JQINUYWJDLQAMF-UHFFFAOYSA-N 456.846 3.715 50 10 JHGE COc1ccc(C(=O)NNc2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2[N+](=O)[O-])cc1 40658918 FNEUGEAZZPAWDS-UHFFFAOYSA-N 483.794 3.961 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610813 MZJNPNSQARPHKF-ZXVVBBHZSA-N 478.936 3.716 50 10 JHGE CC(=NNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccccc1O 252604473 GAECGQJAAVUTTH-UHFFFAOYSA-N 451.548 3.745 50 10 JHGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 254658325 NNTRDWYRQPWPIF-JLYYKKMBSA-N 457.490 3.582 50 10 JHGE COc1cccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1OC 263630515 GJZASIPJQLZDLS-IRAPCCKFSA-N 472.545 3.691 50 10 JHGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)CON=Cc2ccc(OC)cc2)c2ccccc21 263631771 ULGVRSIJACEEPS-UHFFFAOYSA-N 493.608 3.773 50 10 JHGE Nc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(O)c1 382681720 AWORUDHOHFLVQX-YOEHRIQHSA-N 452.292 3.762 50 10 JHGE O=C(NNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 731185988 FTKBWDJAQYOZFW-UIOOFZCWSA-N 499.592 3.883 50 10 JHGE CCOc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OC 1860772655 DTFCPVWKMJBZMC-KKMKTNMSSA-N 476.558 3.991 50 10 JHGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 1866126789 OBNPDFXLJDRYHT-SFQUDFHCSA-N 452.492 3.647 50 10 JHGE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2163647594 YBNWFMLJIJNFNR-WBVHZDCISA-N 461.422 3.895 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2184359701 BCIXKIHXCWVYLS-GDBMZVCRSA-N 461.422 3.799 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)Cc1ccsc1Br 2218986796 BEKUZNYTSCNGOT-PSASIEDQSA-N 466.204 3.780 50 10 JHGE CO[C@@H]1[C@H](OC)CN(Cc2ccc(Br)cc2Br)[C@H]1CBr 2233350358 BWKKZMXNTXZGHH-MJBXVCDLSA-N 472.015 3.821 50 10 JHGE CC(C)(C)OC(=O)N1CC(N(CCOCCI)CC2CCCC2)C1 2306798883 IYTRANODWNRBQU-UHFFFAOYSA-N 452.377 3.550 50 10 JHGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC[C@@](C)(CBr)C(C)(C)C)CC1 2352108597 XMZLYZKUFVQSFC-WXTAPIANSA-N 454.475 3.999 50 10 JHGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc2ccccc2c1Br 9229455 CUUUYXBWCYQGKG-KPKJPENVSA-N 470.279 3.750 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C 12581591 QHNFWTLYQGWZCN-AWEZNQCLSA-N 452.338 3.944 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 14031259 MBQUOXVKXKVELJ-UHFFFAOYSA-N 490.585 3.985 50 10 JHGE O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1 20478381 RUNQDQQFIUOREM-ZVBGSRNCSA-N 487.123 3.925 50 10 JHGE CC(C)OCCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 35329965 OTCPCTVXXFPNLD-VKAVYKQESA-N 466.925 3.978 50 10 JHGE Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl 101569471 CXQSBJPCGNQXJR-UHFFFAOYSA-N 466.716 3.533 50 10 JHGE CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)c1 110277320 AYVKSJWFQAUIBC-XGRCMKMKSA-N 468.985 3.641 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H]1Br 387950627 WACRERGEEAYGKY-RDDDGLTNSA-N 472.946 3.909 50 10 JHGE CCN(CCOCCBr)C(=O)c1ccc(I)c(Cl)c1 388366675 JSQCPPYYGUKBBT-UHFFFAOYSA-N 460.537 3.818 50 10 JHGE O=C(NCC1(CCl)CCOCC1)c1ccc(I)c(Br)c1 721622700 SCOROUZHLDAFJV-UHFFFAOYSA-N 472.548 3.819 50 10 JHGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)o2)cc1 725382488 ONIGSHIVVONPPR-UHFFFAOYSA-N 497.573 3.656 50 10 JHGE COc1ccc(CCC(=O)NN=Cc2cc(Br)cc(Br)c2O)c(O)c1 1084408947 IRQVZNZOWJAQAF-UHFFFAOYSA-N 472.133 3.714 50 10 JHGE C#CC[C@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)C1 1299852270 FGKAJNTXFPSBOD-BJLUOBIUSA-N 457.534 3.650 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748838 FALQFNDVDKWNMN-UHFFFAOYSA-N 494.935 3.552 50 10 JHGE CCc1cc2c(=O)n(CC(=O)NNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc2s1 1860770108 TWEHOLZTUBRHRN-UHFFFAOYSA-N 492.401 3.519 50 10 JHGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 1865755585 GQUTVNCRAVLQBR-QFIPXVFZSA-N 490.947 3.792 50 10 JHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cccc(Cl)n2)cc1 1866564574 JQZHISVHUKYOGE-IBGZPJMESA-N 452.923 3.994 50 10 JHGE CN(C[C@@H]1C[C@@H]1Br)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1897176081 KTKFBTUESMLVLZ-OALUTQOASA-N 480.447 3.788 50 10 JHGE BrC[C@@H]1C[C@@H]2CN(c3ncc(I)cc3Br)C[C@H]21 2015761833 COXLCGUCSSRJIQ-XKSSXDPKSA-N 471.962 3.916 50 10 JHGE C[C@H](Br)C1CN(C(=O)c2ccc(Br)cc2I)C1 2026211293 JMVMXAUGPJOIDA-ZETCQYMHSA-N 472.946 3.909 50 10 JHGE C[C@@H]([C@H](Br)c1cccc(Br)c1Br)S(=O)(=O)N(C)C 2031483299 BRDWATSOTQUTQT-XVKPBYJWSA-N 464.017 3.928 50 10 JHGE COCC(CCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1)COC 2067240283 DUGMMYYALQUJCL-UHFFFAOYSA-N 471.376 3.507 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CCBr)C1CCCC1 2089698324 JQLSKPNWLPDYMF-LJQANCHMSA-N 485.444 3.716 50 10 JHGE Brc1cccc(CN2CCN3C[C@H](Br)C[C@@H]3C2)c1Br 2092327605 CRZRBJXKXLUHGK-VXGBXAGGSA-N 453.016 3.865 50 10 JHGE C[C@H](CBr)N1CCN(Cc2cc(Cl)ccc2I)CC1 2113063057 ZEWWTIYJKMAHLJ-LLVKDONJSA-N 457.581 3.846 50 10 JHGE O=S1(=O)CC[C@H](CC(CBr)(CBr)c2ccc(Br)cc2)N1 2146190528 HCISVZOONMSDDH-GFCCVEGCSA-N 490.055 3.559 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2162589468 QOSDPOBCUWWYFR-HNNXBMFYSA-N 461.422 3.895 50 10 JHGE O=S(=O)(C1CC(CBr)C1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179955806 GLWIOSBZFWQOAO-XVAXZDLZSA-N 455.462 3.868 50 10 JHGE O=C(N[C@H](CBr)CC1CCOCC1)c1ccc(I)cc1 2195483864 QUXCIXPOAJRMBY-AWEZNQCLSA-N 452.130 3.601 50 10 JHGE Cc1cc(C(=O)N[C@@H](C)c2nnc(CBr)s2)ccc1I 2207096927 MTTQEZGGWAMIQI-QMMMGPOBSA-N 466.142 3.837 50 10 JHGE O=C(NCCOCCCI)c1cc(F)c(Br)cc1Cl 2267811582 PFCREVVAHAZHOI-UHFFFAOYSA-N 464.500 3.813 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCCOCCOc2ccccc2)C1 2278386858 KPWNOQHEWVMCQJ-DLBZAZTESA-N 477.339 3.522 50 10 JHGE C[C@@]1(CBr)COCCN(C(=O)c2ccc(Cl)c(I)c2)C1 2283652553 WQWCXVSZPDAKHP-AWEZNQCLSA-N 472.548 3.818 50 10 JHGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccc(F)cc1 2295924278 NXJLCMHOAXCVCQ-UHFFFAOYSA-N 477.970 3.922 50 10 JHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)ccc1Br 2313864156 BUJYUUJTRMQMSB-UHFFFAOYSA-N 482.787 3.525 50 10 JHGE COc1ccc2c(c1)c(C=NNC(=O)CSc1nc3ccccc3s1)c(C(=O)O)n2C 2321684707 VMLUBLLMCKQPLM-UHFFFAOYSA-N 454.533 3.737 50 10 JHGE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325071931 XVZIMTSJCGNHRW-BTYIYWSLSA-N 493.692 3.582 50 10 JHGE CC(C)[C@@H]1C[C@](C(=O)O)(N(C)C[C@@H]2C[C@@H]2Br)CN1C(=O)OCc1ccccc1 2325645970 BNYJDZKSESDIGN-NTLWEQJWSA-N 453.377 3.592 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC(CCBr)CC1 2338849937 NJVHWZAPYOGKTH-UHFFFAOYSA-N 485.444 3.670 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC(Br)CC2)[C@H]1C(F)(F)F 2370161806 OEBSVOBNCQFIPU-STQMWFEESA-N 458.319 3.886 50 10 JHGE CC1CCC([C@H](CBr)NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2379737651 UGNGJODMHJMFMK-UHYCVJNDSA-N 499.471 3.962 50 10 JHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 10154134 NPAYCOKEIJRSEQ-SFHVURJKSA-N 457.596 3.975 50 10 JHGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13979657 KFEXFECYZMYCGQ-UHFFFAOYSA-N 463.071 3.504 50 10 JHGE Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)CCl)CC3)c12 35908799 SPVHONLYXITRRE-UHFFFAOYSA-N 460.969 3.602 50 10 JHGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 59503356 YSAANQKZBCKEKR-NHDPSOOVSA-N 458.224 3.933 50 10 JHGE CCOc1cc(C=NNC(=O)c2ccc(C)cc2OC)ccc1OS(=O)(=O)c1ccccc1 252607833 HEZOIEBTONTKBC-UHFFFAOYSA-N 468.531 3.934 50 10 JHGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc4ccccc4c3)nnn2-c2nonc2N)cc1 254519045 VFOUGNZVRPCEQW-UHFFFAOYSA-N 482.504 3.605 50 10 JHGE COC(=O)[C@@H](CCBr)Oc1cc(Br)c(OC)cc1Br 386928714 FMIICPHEEVJVGP-SECBINFHSA-N 460.944 3.926 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)c2ccc(I)c(Cl)c2)C1 401490340 GJBPNCYWAVNWGK-CYBMUJFWSA-N 458.521 3.571 50 10 JHGE CS(=O)(=O)N1CC[C@@H](Oc2c(Br)cc(CBr)cc2Br)C1 689918036 RFJBBJPMWFWUFR-SECBINFHSA-N 492.027 3.519 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCCl)C1CCCCC1 725074094 SXFJYJPOPDDSKG-LJQANCHMSA-N 455.020 3.806 50 10 JHGE C[C@@H](Cc1ccccc1)N(C)CC(=O)NN=C1C(=O)N(C(=O)Nc2ccccc2)c2ccccc21 1088719414 FZPWTPYTEVMUSR-IBGZPJMESA-N 469.545 3.649 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 1154050710 VRBFISTVSNJWPF-FQEVSTJZSA-N 450.564 3.520 50 10 JHGE CCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 1860396238 JRSJBLFACDRNFP-LLVKDONJSA-N 456.282 3.919 50 10 JHGE Cc1nc2scc(C)n2c1/C=N/NC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860773553 AKQNGFJBWGTFSG-GSJCDRPZSA-N 468.608 3.620 50 10 JHGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865712381 WWXQWTOBOQVSNB-QFIPXVFZSA-N 464.497 3.877 50 10 JHGE C[C@@H](Br)[C@H](NC(=O)c1cccc(F)c1I)C(F)(F)F 1882674679 OCTXSSZFIHXAEU-ANLVUFKYSA-N 453.999 3.874 50 10 JHGE C[C@H](CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)N1CCCC1 2013716617 UVFXHSODOOIYOC-CRAIPNDOSA-N 452.377 3.692 50 10 JHGE CCN(C[C@](C)(CI)OC[C@H]1C[C@@]12CCOC2)C(=O)OC(C)(C)C 2021276905 NNMKZZSKEBFJOO-FHLIZLRMSA-N 453.361 3.880 50 10 JHGE CN(CCOCCBr)C(=O)c1ccc(Br)cc1I 2086146491 ALEZUHMHBWFTGI-UHFFFAOYSA-N 490.961 3.537 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H]1CCCBr 2141710528 XUDLNJDNPZWKKA-INIZCTEOSA-N 485.444 3.668 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N[C@@H]2C[P@](C)(=O)C[C@@H]2Br)c1Br 2177852691 XYPBDQMEKHDHNW-IDJBCLPUSA-N 465.169 3.544 50 10 JHGE BrC[C@@H]1CO[C@@H]2CN(Cc3c(Br)cccc3Br)C[C@@H]2O1 2279862806 OEJRDWNSSRKBQW-FZQKWOKYSA-N 469.999 3.575 50 10 JHGE C=CC[C@@]1(CBr)CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2287846644 NCOYTJGJKMNXEJ-QFIPXVFZSA-N 497.455 3.978 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)NC[C@@H]1C[C@@H](Br)CCO1 2295306948 COMFMZYTAGFDOJ-GWCFXTLKSA-N 469.999 3.813 50 10 JHGE O=C(NN=Cc1ccc(F)cc1)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1 2296654001 HLXKZEGHTCSHLV-IAFDGEETSA-N 485.559 3.948 50 10 JHGE C[C@H](Cl)C12CCC(CC1)N2S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214129 LJYHYBSRPVNNDV-YPHUNTSASA-N 453.004 3.797 50 10 JHGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)c1 14644886 SDDTVTZZTDVBBG-UHFFFAOYSA-N 465.575 3.979 50 10 JHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14654976 GZBKMJZNICMPRU-UHFFFAOYSA-N 468.735 3.681 50 10 JHGE CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 17192632 AYOQORUKVDSUMG-KRWDZBQOSA-N 495.889 3.503 50 10 JHGE COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc(OC)c1OC 20827083 GIBANKNMFARHSZ-VULFUBBASA-N 451.454 3.868 50 10 JHGE O=C(CCCNC(=O)c1ccccc1Br)N/N=C/c1cc(Br)ccc1O 39724844 MNUJYPQGZQNXHQ-SSDVNMTOSA-N 483.160 3.578 50 10 JHGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 40840340 MAASDABQPLHIFO-ROMGYVFFSA-N 464.865 3.694 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)c2cc(Br)ccc2O)c1C 1084458197 ABPKXXDTZVZTMU-UHFFFAOYSA-N 488.298 3.638 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)c1 1303281041 VRUFODXHIGJPPH-UHFFFAOYSA-N 450.545 3.695 50 10 JHGE C=CCOc1ccc(CC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 1538875405 UIYABZNEGUFPRW-UHFFFAOYSA-N 453.502 3.503 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)cc1 1672602817 LKOVZYUEUYVJTN-KBPBESRZSA-N 453.417 3.839 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772752147 VWEWDLZKZFEKLZ-UHFFFAOYSA-N 490.535 3.866 50 10 JHGE O=C(Nc1ncccc1OCC(=O)N1CCc2ccccc2C1)Oc1ccc([N+](=O)[O-])cc1F 1858694641 AXCWPEVNGTYOPU-UHFFFAOYSA-N 466.425 3.704 50 10 JHGE COc1ccc(F)cc1-c1cc(C(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867101523 FGVNFHMFWMTBBQ-UHFFFAOYSA-N 467.526 3.955 50 10 JHGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NC[C@H]1C[C@H](Br)C1 1877390163 XTBRRDXQESDELW-BZSNNMDCSA-N 455.393 3.776 50 10 JHGE Brc1cc(I)cnc1N1C[C@@H](Br)C2(CC2)C1 1988536112 IKWYLVFIAHMPSO-SECBINFHSA-N 457.935 3.812 50 10 JHGE O=C(NC[C@H]1C[C@@H]1CBr)c1ccc(Br)cc1I 2026222163 VCSSGHOFFOLZCX-HTQZYQBOSA-N 472.946 3.815 50 10 JHGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1cc(Br)sc1Br 2039822355 RVOWJGKRJGJYDC-BQBZGAKWSA-N 462.001 3.803 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3cc(Br)ccc3Br)[C@@H]2C1 2054230859 UMLJUTIWOFQQHL-RBLKWDMZSA-N 458.997 3.938 50 10 JHGE O=C(CCl)c1cc(I)c(I)cc1OC(F)F 2060186215 JDEYEDLTFMWUHF-UHFFFAOYSA-N 472.394 3.919 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@@H]2CC[C@H]21 2177709200 FPXRPDSPKHHSBM-YESZJQIVSA-N 459.406 3.648 50 10 JHGE CCCn1cc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179858155 KXGWNKGHDKPCPN-SFHVURJKSA-N 454.434 3.688 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182308176 QSOIRXNHIQEENL-ROUUACIJSA-N 453.402 3.911 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2200815550 NFGCRGYQSZNTKO-KXBFYZLASA-N 459.406 3.507 50 10 JHGE O=C(C=Cc1cccs1)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 2313620197 VPYZILXWJYHPRF-UHFFFAOYSA-N 458.392 3.949 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 2313892234 ARKABJMBQGSCIG-UHFFFAOYSA-N 494.617 3.953 50 10 JHGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2328833139 JQHAKAPJICVMRF-QFIPXVFZSA-N 468.554 3.704 50 10 JHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC 13977359 BWFQBFMYKWPCPJ-BIPYJSMBSA-N 498.388 3.513 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1Br 14040577 PQPLOCZIJQSANA-UHFFFAOYSA-N 485.334 3.990 50 10 JHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 14641596 QFJFCNPXRBNVSM-UHFFFAOYSA-N 482.606 3.944 50 10 JHGE CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)c1ccccc1Br 20286321 VIPUVNZNYBLWFV-GZTJUZNOSA-N 470.352 3.990 50 10 JHGE CC(=O)Nc1cccc(/C(C)=N\NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1 20418693 KVUMRPXYVJRDFL-DIBXZPPDSA-N 478.574 3.689 50 10 JHGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OC 33378114 OYZJWHKWRXFESL-PAUOAVIZSA-N 462.458 3.695 50 10 JHGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1cccnc1 40583294 ZEOIDVJDXCAVHH-UHFFFAOYSA-N 453.768 3.953 50 10 JHGE Cc1cccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])n1 40584794 FBZNALYMNMSFGL-UHFFFAOYSA-N 464.269 3.661 50 10 JHGE CC(C)CN(CC(C)C)c1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40613944 SSIATVPRURVQFA-UHFFFAOYSA-N 465.898 3.822 50 10 JHGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 40934529 RVYZFJUOCUFUHS-LDADJPATSA-N 491.456 3.794 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCOC[C@@H]1CCBr 694879733 KECAAPGMTFAXFA-JTQLQIEISA-N 458.521 3.571 50 10 JHGE O=C(NNc1nc(-c2ccccc2)no1)c1cccn1-c1cccc(I)c1 728079360 GHLDELPYWWBSRQ-UHFFFAOYSA-N 471.258 3.889 50 10 JHGE CC1=C(C(=O)NN=Cc2ccccc2[N+](=O)[O-])[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084010458 SQPUCTWRUSMJON-KRWDZBQOSA-N 464.334 3.845 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(NC(=O)OCC(C)C)c2)cc1 1658634095 SUXKWXUJHICEEA-INIZCTEOSA-N 456.499 3.714 50 10 JHGE CCCCN1C(=O)C(=NNC(=O)COc2ccc(Br)cc2)c2cc(OC)ccc21 1772720512 NLPFRROSUJBZCQ-UHFFFAOYSA-N 460.328 3.504 50 10 JHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772748531 UUBSLSAAFPBZRJ-UHFFFAOYSA-N 451.439 3.625 50 10 JHGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 1872747326 XILGBCBAOVZGPM-VLGSPTGOSA-N 462.443 3.816 50 10 JHGE CN(CC1CC(Br)C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1893148615 RKLQUCHRLNINGT-DAWZGUTISA-N 455.393 3.728 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3sc(Br)cc3Br)[C@@H]2C1 2006147110 JRXNKAIFCRCKDR-NFNBNWGISA-N 465.026 4.000 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC=CC[C@H]1CBr 2119847819 KNTAQCVOPGQBNR-JTQLQIEISA-N 474.012 3.926 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2150958004 IYDJWPUZAYZHDU-TVYUQYBPSA-N 450.114 3.632 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186716768 WVAUNLPINSBIMC-HNNXBMFYSA-N 467.307 3.612 50 10 JHGE C[C@H](NC(=O)c1ccc(F)cc1I)c1nnc(CBr)s1 2192614798 DKJMIMDMCVPEON-LURJTMIESA-N 470.105 3.668 50 10 JHGE C[C@@H](NC(=O)c1ccc(F)cc1I)c1nnc(CBr)s1 2192614799 DKJMIMDMCVPEON-ZCFIWIBFSA-N 470.105 3.668 50 10 JHGE CCC[C@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@@H]1CBr 2205700458 ALCGGAZQYCVBNF-RYUDHWBXSA-N 452.130 3.880 50 10 JHGE C[C@@]1(CBr)C=CCN1S(=O)(=O)c1cc(Br)ccc1Br 2228871746 RTXIHMXEABLVRA-LBPRGKRZSA-N 474.012 3.926 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCCCBr)CC1 2283137926 LYYDFQFAYOEOAT-UHFFFAOYSA-N 499.471 3.916 50 10 JHGE CC(C)(C)OC(=O)Nc1ccc([S@@](C)(=O)=NCCOCCI)cc1 2306802478 PKCGNSWVQGMADK-XMMPIXPASA-N 468.357 3.942 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1 2314737093 LFRCEWSIUBRCJU-UHFFFAOYSA-N 472.497 3.912 50 10 JHGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2OCC)c(OC)c1 2314790156 QGDAPYNFTSWIAI-UHFFFAOYSA-N 452.507 3.902 50 10 JHGE C[C@H](Br)C[C@@H]1CCCN1C(=O)c1c(Br)c(Br)nn1C 2338675005 TXQKASYPQGMLAS-YUMQZZPRSA-N 457.992 3.723 50 10 JHGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1Br 2338849120 DIBZHAHERWQONZ-SFHVURJKSA-N 485.444 3.668 50 10 JHGE CN1CCN(Cc2cc(I)ccc2Cl)[C@H](CCBr)C1 2352415576 JUTPNPMNQZZKLI-CYBMUJFWSA-N 457.581 3.846 50 10 JHGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cn1ccc2ccccc21 14776671 AOPQNZWQMSIIGY-UHFFFAOYSA-N 489.395 3.527 50 10 JHGE Cn1cc(Br)cc1C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 16271000 FJPBFCGHDFKDLK-UHFFFAOYSA-N 464.323 3.715 50 10 JHGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 33919246 ZSYGZOBHKLQIMO-DTBYZMGXSA-N 458.518 3.614 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c1C 58890461 HSRBTIAELZGWRG-JOODZBNRSA-N 450.495 3.975 50 10 JHGE N#C/C(=C(/O)c1ccccc1Br)c1nnc(N2CCOCC2)n1-c1ccccc1 102231676 FQKPIKJTKKVRDD-ZPHPHTNESA-N 452.312 3.816 50 10 JHGE CCOc1cc(/C=N\NC(=O)c2cccn(C(C)C)c2=O)cc(Br)c1OCC 169919247 JLOOLHBBYWPJTK-UUYOSTAYSA-N 450.333 3.753 50 10 JHGE Cc1cc(C)c(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(C)c1 217222679 XOCLSBVROJTHPL-JXAWBTAJSA-N 488.997 3.744 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCCCN2CCCS2(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl 725758554 BISXSAVMTWEMNB-PDGQHHTCSA-N 495.432 3.850 50 10 JHGE C[C@H](CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)NC(=O)C1CCCCC1 727293361 VCMJDPAMXLMRLL-QGZVFWFLSA-N 455.530 3.641 50 10 JHGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)c1O 1082753836 PCTMXPAGLOEMPI-UHFFFAOYSA-N 468.853 3.979 50 10 JHGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1865755515 CBYWPUFHPFHYJB-UHFFFAOYSA-N 455.814 3.602 50 10 JHGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O 1865759619 JXGSREJMTPRCTI-UHFFFAOYSA-N 492.482 3.805 50 10 JHGE CC(C)(CI)CN1C[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 1904652740 FEKHBARGTQSESK-MNOVXSKESA-N 450.283 3.835 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 2013012108 BPMIJVLPDNMMDU-ULQDDVLXSA-N 477.693 3.649 50 10 JHGE CCOC(=O)Cc1c(CCl)ccc(I)c1I 2055330555 DJPHIPIJYJCSSK-UHFFFAOYSA-N 464.468 3.740 50 10 JHGE O=C=Nc1ccc(I)c(OC(F)(F)F)c1I 2060036138 ZQYIBKKCIMOCTB-UHFFFAOYSA-N 454.911 3.762 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(Br)cc1N 2061261661 BWYXRCIQHXOOJU-UHFFFAOYSA-N 450.424 3.667 50 10 JHGE O=C(c1cc(I)ccc1O)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2150958006 IYDJWPUZAYZHDU-ZWKOPEQDSA-N 450.114 3.632 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C12CCC2 2162589154 NMKYXCKZAOHMES-HOTGVXAUSA-N 459.406 3.696 50 10 JHGE CCN1CCC[C@@H]([C@H](Br)c2cc(I)ccc2F)S1(=O)=O 2169659935 XNMPFKYTJLEWSE-QWHCGFSZSA-N 476.149 3.680 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NCC3(CBr)CCOCC3)CC2)C1 2176122650 GWRDMAYAIJFSNZ-UHFFFAOYSA-N 465.454 3.677 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2179818511 AMKFSCSQJSMGFA-MSOLQXFVSA-N 453.402 3.911 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1ccc(I)c(Cl)c1 2206483064 ASMJXYZKORMWGE-NWDGAFQWSA-N 470.532 3.759 50 10 JHGE C=C1CC(CBr)(NS(=O)(=O)c2cc(Br)ccc2Br)C1 2265366023 ZSMQKHLMPLAWGU-UHFFFAOYSA-N 474.012 3.974 50 10 JHGE CN(C)[S@@](=O)(=NCCCCCCCBr)N1CCN(C(=O)OC(C)(C)C)CC1 2294700497 GDLCTQYJXVDAPJ-MHZLTWQESA-N 469.490 3.744 50 10 JHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2ccc(Cl)cc2I)C1 2340054052 IRPJGQXZSVYWOW-SWZMTVOYSA-N 458.521 3.617 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H]2CC[C@H]1CC(CBr)C2 2364017654 MIJIZESPVKFMQX-IUCAKERBSA-N 470.003 3.723 50 10 JHGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c21 2435056 YYFBQDZHPJHHIL-FQEVSTJZSA-N 479.334 3.589 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(OC)cc2)c(Br)c1 14832181 YVTPJJSWJXGSPP-AWEZNQCLSA-N 465.344 3.576 50 10 JHGE CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 40569365 UAUCRMGYAJMOSZ-FOIQADDNSA-N 470.367 3.960 50 10 JHGE CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c2ccccc21 59166872 ILCREQQHGDJYCR-BYZJPEARSA-N 462.594 3.724 50 10 JHGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OC(C)C)c(OC)c2)c(OC)c1 207008913 NDMXPEXFQIGCRQ-GBJATQMGSA-N 494.544 3.779 50 10 JHGE CC[C@@H](Br)CNC(=O)c1cc(I)ccc1Br 233817609 NVLSVSIZLPZZDX-SSDOTTSWSA-N 460.935 3.957 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c(O)c1 254851904 BOSUOJUSZFSIFG-UHFFFAOYSA-N 472.592 3.865 50 10 JHGE O=C(CBr)c1c([N+](=O)[O-])ccc(I)c1OC(F)(F)F 575710019 GFLBPONXEZGMHM-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cc(CCl)oc1Br)C2 702080271 GLFFGJISSPXYNC-BEFAXECRSA-N 473.820 3.924 50 10 JHGE CCN(CCOCCCl)C(=O)c1ccc(I)c(Br)c1 721507105 FTKOSKHJJQUKIJ-UHFFFAOYSA-N 460.537 3.771 50 10 JHGE COc1cccc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c23)c1O 727851413 IGQKMGLLWHXKJW-UHFFFAOYSA-N 462.437 3.695 50 10 JHGE CC(=O)CCc1ccc(OCCC(=O)NNc2ccc([N+](=O)[O-])cc2Br)cc1 1467360956 UVRQHFXLQAIUPK-UHFFFAOYSA-N 450.289 3.791 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)cc1 1675216443 BTOHCBYYOAATHP-XCLFUZPHSA-N 455.408 3.604 50 10 JHGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4)c(C)c32)cc1 1772746691 YPNCLKYAZQGJQR-UHFFFAOYSA-N 494.935 3.795 50 10 JHGE C[C@H](NC(=O)c1cccc(I)c1)c1nnc(CBr)s1 1877558612 QCQKWHQYCCLFDL-ZETCQYMHSA-N 452.115 3.529 50 10 JHGE O=C(N[C@H](CBr)CC1CCOCC1)c1sccc1I 1883302489 OHXKWWXKEALATH-JTQLQIEISA-N 458.159 3.663 50 10 JHGE C=CCC(CBr)(CBr)Cc1ncc(I)cn1 1905209791 OQTKOZIOYCNDPN-UHFFFAOYSA-N 459.951 3.976 50 10 JHGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCCCN1CCCCCC1 2007039976 LXTMNXFSLKTMES-GOSISDBHSA-N 454.393 3.988 50 10 JHGE Clc1cc(CN2C[C@@H]3[C@@H](CBr)CO[C@H]3C2)ccc1I 2142946381 ZYQYEFPWJWYCDQ-WDMOLILDSA-N 456.549 3.786 50 10 JHGE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2NS(=O)(=O)c1ccc(CBr)cc1 2162602433 OPOSLHVCAUPXSV-ZACQAIPSSA-N 459.406 3.648 50 10 JHGE C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)CN(C(=O)OC(C)(C)C)C1 2172557732 RRTREJWMBPXTHZ-GDBMZVCRSA-N 461.422 3.753 50 10 JHGE Cc1ccc(I)c(C(=O)N[C@@H](CBr)C[C@@H]2CCCO2)c1 2240915946 SVGLBFBKLWSXJF-NEPJUHHUSA-N 452.130 3.662 50 10 JHGE Cc1ccc(I)c(C(=O)N2CCC[C@H](OCCBr)C2)c1 2240923881 JUHLEEHQSPHYLF-LBPRGKRZSA-N 452.130 3.616 50 10 JHGE CN(Cc1cccc(I)c1)S(=O)(=O)c1occc1CBr 2280352261 QJXINPFTUTYRQE-UHFFFAOYSA-N 470.126 3.600 50 10 JHGE O=C(NNC(=O)c1ccccc1)C(=Cc1ccc(Br)cc1)NC(=O)c1ccccc1 2297322479 CSZWRCOOPZOANB-UHFFFAOYSA-N 464.319 3.681 50 10 JHGE C[C@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@@H](CCBr)O1 2365593682 VUKXHHRZDQJKAD-GXSJLCMTSA-N 472.548 3.959 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)c(C)c1 12489949 KOFHDOBCYVEOIF-UHFFFAOYSA-N 476.371 3.628 50 10 JHGE CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1 24004867 BGEPWVONIOZRFE-PPRFWAEMSA-N 464.566 3.988 50 10 JHGE COc1cc(C(=O)N/N=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cc(OC)c1OC 59147701 FXMZAOQULVEAJR-BRJLIKDPSA-N 456.930 3.991 50 10 JHGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3)c(C)c21 101615672 XNONKSOELBNEMK-KOEQRZSOSA-N 468.897 3.688 50 10 JHGE CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C\c3ccc(Br)o3)sc2c1 102471105 XVZWIHDAWWJXAF-TWGQIWQCSA-N 452.311 3.601 50 10 JHGE O=C(NC[C@@H]1CCCC[C@H]1CBr)c1cc(I)ccc1O 236570909 QTKVVCYAPDFGKR-QWRGUYRKSA-N 452.130 3.928 50 10 JHGE CCCOc1ccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 252636710 XLGJXTMGXXGMHZ-UHFFFAOYSA-N 458.367 3.699 50 10 JHGE COc1ccc(C(=O)NN=C2C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3ccccc32)cc1 254895494 PLUYKGFNAXECCU-HSZRJFAPSA-N 469.545 3.756 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2ccc(Br)cc2Br)C1 382023182 PVEOROFDXASKGB-VHSXEESVSA-N 455.972 3.836 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1083965880 SCURFLGRALRWIB-UHFFFAOYSA-N 496.976 3.896 50 10 JHGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)COc3ccc(Cl)cc3)cc2)cc1 1084460963 YFVPTFIADSLWJK-UHFFFAOYSA-N 467.909 3.895 50 10 JHGE CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 1084556019 FAJMFRFRFRBTKR-XSFVSMFZSA-N 497.979 3.936 50 10 JHGE COc1ccc([N+](=O)[O-])c([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CI)c1 1614639058 QPTKSIJYZXYDNS-BXUZGUMPSA-N 462.284 3.989 50 10 JHGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc(Br)c1O 1865687816 AYROKTCDSBORAU-GOSISDBHSA-N 482.338 3.915 50 10 JHGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1865757188 QKUGUUXGWVCCRW-MRXNPFEDSA-N 474.508 3.743 50 10 JHGE CC(C)COc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865852068 OQGAOXYREFRRAX-JKSUJKDBSA-N 482.606 3.640 50 10 JHGE O=S(=O)(N[C@H]1C[C@@H]([C@@H](F)CBr)C1)c1cc(Cl)c(Br)s1 1907313523 VYNSVNVPGXHDPC-BBVRLYRLSA-N 455.596 3.954 50 10 JHGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cnn(C)c1I 1915090167 IJRSFKAKPGWPSX-LBPRGKRZSA-N 476.156 3.841 50 10 JHGE ClCc1ccnc(-n2cnc(I)c2I)c1Cl 1983601182 ATSZBYPNFCTILN-UHFFFAOYSA-N 479.874 3.869 50 10 JHGE C[C@@H](Br)[C@@H](C)NC(=O)c1ccc(Br)cc1I 1995285835 LIMPWFZUCSGZNU-RNFRBKRXSA-N 460.935 3.955 50 10 JHGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cc(CBr)oc2Br)C1 2059264517 GWPFFNLFUIPTAW-AWEZNQCLSA-N 492.233 3.832 50 10 JHGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(Br)c(CBr)c2)C1 2059389724 GBNIYUMBCQKJDX-UHFFFAOYSA-N 488.245 3.849 50 10 JHGE CCN1CC[C@@H]([C@@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2089535828 OKQXUCXTPIKWEA-RYUDHWBXSA-N 478.577 3.758 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)CCO1 2117533370 PEJOKNWIHXDVTL-PELKAZGASA-N 455.972 3.836 50 10 JHGE O=C(c1cc(I)sn1)N1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2120025383 JBYWYABSTOIPNY-YWVKMMECSA-N 455.159 3.916 50 10 JHGE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)S(=O)(=O)c1ccc(CBr)cc1 2163618885 ZSYIDCAKBHIXEH-PBHICJAKSA-N 461.422 3.848 50 10 JHGE COc1cc(Br)c(C(=O)N[C@H](CI)C(C)C)cc1OC 2189050445 PWXDFCSDOZMNOD-LLVKDONJSA-N 456.118 3.656 50 10 JHGE Cc1cc(C(=O)N2C[C@@H](CBr)OC(C)(C)C2)ccc1I 2207101666 HQCWUGJLWJIAGS-GFCCVEGCSA-N 452.130 3.614 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCOC[C@@H]1CCBr 2268345531 NXVDVGXSTLLONQ-JTQLQIEISA-N 458.521 3.571 50 10 JHGE COC(=O)c1cc(Br)cnc1NCCSSCCNC(=O)OC(C)(C)C 2278908355 BLUKCYIWINMTGI-UHFFFAOYSA-N 466.423 3.949 50 10 JHGE CC[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1CN(C(=O)OC(C)(C)C)C1 2325063580 KBZREOCQDZLCRJ-NRFANRHFSA-N 493.692 3.582 50 10 JHGE CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2cccc(Cl)c2)cc1 2329687073 ZPSVDXCYPORLIT-UHFFFAOYSA-N 460.943 3.674 50 10 JHGE C[C@@H](Br)C[C@@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338849968 NTCOGZPAYGRDAO-SJORKVTESA-N 485.444 3.811 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370249012 BQJLBAOIKAHMBH-MUWHJKNJSA-N 457.131 3.990 50 10 JHGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2Cc1ncc(I)cn1 2381295059 JHFFHTUAQHPSFG-CRMUJIHISA-N 450.162 3.998 50 10 JHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 12570370 MZGRCNQXCUDLPN-UHFFFAOYSA-N 477.167 3.714 50 10 JHGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1Br 14035393 HXEBEZXWBNZPJQ-UHFFFAOYSA-N 464.385 3.742 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C\c3ccccc3)cc2)c1 34943074 GHLRCRHAMRBWCQ-GDNBJRDFSA-N 458.543 3.596 50 10 JHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 38683441 CYTQKOSXQAALJK-VWLOTQADSA-N 470.481 3.984 50 10 JHGE O=C(NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40648274 YGDCOMKZIJMEOL-UHFFFAOYSA-N 474.231 3.556 50 10 JHGE CC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40649696 QCCSJUHMCBPZHL-UHFFFAOYSA-N 471.271 3.850 50 10 JHGE CCOCCCN(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 97914561 VVUKDCSYJDJGLD-JOCHJYFZSA-N 454.995 3.688 50 10 JHGE COc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(C[C@@H]2CCCO2)C(=O)CCl)cc1OC 97914812 RNESDWUDBQDINA-ATGXHKCPSA-N 467.006 3.686 50 10 JHGE COc1cc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc(OC)c1O 252679119 IBCWISDSQSUJMS-UHFFFAOYSA-N 476.605 3.796 50 10 JHGE COc1ccc(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)c(OC)c1OC 254365285 WMBQJQRKJDPTLA-UHFFFAOYSA-N 450.491 3.821 50 10 JHGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 254877959 POFOJBLBABASBQ-UHFFFAOYSA-N 473.514 3.845 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCCN2CCN(c3ccccc3)CC2)c(-c2ccccc2)n1 915196110 HOFYNLDOMMTVMI-DAFNUICNSA-N 493.615 3.699 50 10 JHGE COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=S)Nc1ccc(C(C)C)cc1 1088728008 WTJLKNSDBGFBFW-UHFFFAOYSA-N 464.569 3.845 50 10 JHGE CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1136132087 ZERADMFLUIVTCH-JOCHJYFZSA-N 450.926 3.717 50 10 JHGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)NCc1cccc(C(F)(F)F)c1 1631435376 LMZMJNFWDXSGNA-UHFFFAOYSA-N 459.428 3.600 50 10 JHGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4F)c(C)c32)c1 1772744775 IKPDKCRCQBNAQI-UHFFFAOYSA-N 462.481 3.581 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1O 1865682015 DCOHGHUDVWQXHS-LJQANCHMSA-N 453.296 3.876 50 10 JHGE CCOC(=O)c1cc(I)cc(I)c1CBr 2055217627 CXQGCLWYBFNXGM-UHFFFAOYSA-N 494.892 3.967 50 10 JHGE O=S(=O)(c1c(Cl)cccc1Br)N1C[C@@H](Br)[C@H](Br)C1 2075314242 UPBKVDVEKYYJCW-HTQZYQBOSA-N 482.419 3.634 50 10 JHGE CCOC(=O)C12CCC(CI)(CC1)O[C@H]2c1cnn(-c2ccccc2)n1 2080418932 JJFAEXOROOQAAE-IVMQYODDSA-N 467.307 3.636 50 10 JHGE O=C(Cc1ccccc1I)N1CCSC[C@H]1CCBr 2087581344 ATWXBVVZBPRWQM-GFCCVEGCSA-N 454.171 3.563 50 10 JHGE CC[C@]1(CBr)COCCN1S(=O)(=O)c1cc(Cl)c(Br)s1 2169029674 STOUQEPVNAEELB-NSHDSACASA-N 467.632 3.729 50 10 JHGE CCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2(C)C)cc1CBr 2179790959 KWOXBBHEPJMYOX-UHFFFAOYSA-N 454.434 3.688 50 10 JHGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2179865709 WEIJORZLVXPRBW-PXNSSMCTSA-N 452.418 3.585 50 10 JHGE Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)CBr)C2)sc1Br 2197759335 NCDQGGORKUCTEF-QMMMGPOBSA-N 453.168 3.860 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CCl)C[C@@H]2CCCC[C@@H]21 2240732530 GMCBXUATIMMGCU-ZWOKBUDYSA-N 453.004 3.655 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(CCCCI)CC[C@@H]1C(F)(F)F 2243590453 DZEFBMUBICYCGS-RYUDHWBXSA-N 450.283 3.979 50 10 JHGE BrC[C@@H]1CO[C@H]2CN(Cc3c(Br)cccc3Br)C[C@H]2O1 2279862805 OEJRDWNSSRKBQW-BIGNPOOSSA-N 469.999 3.575 50 10 JHGE Cc1sc2ncn(CC(=O)NNC(=O)C=Cc3ccc(OCc4ccccc4)cc3)c(=O)c2c1C 2325885553 BSJIQWCVCWDQFH-UHFFFAOYSA-N 488.569 3.515 50 10 JHGE COC(=O)c1sc(NC(=O)C(C#N)=Cc2cccc(Br)c2)c(C(=O)OC)c1C 2329699375 MLDZLYBRGKUXHH-UHFFFAOYSA-N 463.309 3.938 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2nc(Br)cs2)C1 2342918634 VBTJYBLEDUUWNQ-QMMMGPOBSA-N 496.084 3.659 50 10 JHGE Clc1ccc(I)cc1CN1CCN2C[C@H](Br)C[C@H]2C1 2352417968 PJEOWLUGAPHESJ-YPMHNXCESA-N 455.565 3.598 50 10 JHGE COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)ccc1OC(C)=O 12580982 UZMBEXLKCWLFTC-FOKLQQMPSA-N 452.294 3.796 50 10 JHGE COc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642126 SASHRLHNUGEXEF-UHFFFAOYSA-N 455.308 3.965 50 10 JHGE COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)c1C 22093095 HYCJQBMDNSSUJF-YAJBTMAUSA-N 474.355 3.991 50 10 JHGE COc1cccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1 40586903 PSCRHMLBXVQFES-UHFFFAOYSA-N 479.280 3.966 50 10 JHGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 40945925 GWTMBVIJHAAJOW-GZTJUZNOSA-N 497.485 3.578 50 10 JHGE COc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(C[C@@H]2CCCO2)C(=O)CCl)cc1OC 97914811 RNESDWUDBQDINA-UKLAWNSRSA-N 467.006 3.686 50 10 JHGE Cc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 103865728 CVSPHFIKVXRQKZ-RLAPRJEQSA-N 494.511 3.698 50 10 JHGE CCOC(=O)[C@@H](Br)Cc1cc(Br)ccc1I 300908944 QDHZNVAYHKKCGZ-VIFPVBQESA-N 461.919 3.923 50 10 JHGE CC(C)[C@H](CI)NS(=O)(=O)c1c(Cl)cccc1Br 310697459 BMOSQRCMUJGGMY-JTQLQIEISA-N 466.566 3.840 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)NCc2cccc(Cl)c2)c(-c2ccccc2)n1 761380913 DVHZLXFRYJMMSQ-MOSHPQCFSA-N 473.920 3.884 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)n1-c1ccc(F)cc1 914739659 DPGXDAMPHKRJEW-ZHZULCJRSA-N 474.496 3.792 50 10 JHGE N#CCOc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 1084383719 ZIRLTJZFSZTZEF-QGZVFWFLSA-N 450.720 3.969 50 10 JHGE COc1ccc(C=NNC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 1084601912 QXTGZIYHTCZEAR-UHFFFAOYSA-N 493.516 3.746 50 10 JHGE Cc1c(C(=O)NNc2ccccc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747195 MIEVYDOQLUNANH-UHFFFAOYSA-N 461.478 3.652 50 10 JHGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711961 MDFZODBHRBWNEE-QFIPXVFZSA-N 464.497 3.877 50 10 JHGE Cc1cccc(OCCCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 1865852034 NSIKYIVHUWQFRX-UHFFFAOYSA-N 490.585 3.748 50 10 JHGE CN(C)[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccnc1 1867277704 AXYCOWNKQHHQFZ-DHIUTWEWSA-N 459.575 3.624 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 1882323058 KAQAEUZLFLOAIP-ZWKOTPCHSA-N 455.646 3.940 50 10 JHGE CO[C@H]1C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1903203652 QZTIQWRPNRNDHY-CVEARBPZSA-N 465.682 3.507 50 10 JHGE CCCN1CCC[C@@H]([C@H](Br)c2csc(I)c2)S1(=O)=O 2089519944 SJGZFZMSMUENCS-CMPLNLGQSA-N 478.215 3.993 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1csc(CBr)c1)C2 2123236669 IXUMWHLXHLIYMB-APWZRJJASA-N 455.443 3.786 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2CCC[C@@]2(CBr)C1 2159409832 SBCUODTXJYFEEX-IAQYHMDHSA-N 450.114 3.634 50 10 JHGE CC(C)(C)OC(=O)NC1CCC(CNS(=O)(=O)c2ccc(CBr)cc2)CC1 2162589378 PXSVCXZYLFTZJY-UHFFFAOYSA-N 461.422 3.943 50 10 JHGE CN([C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21)S(=O)(=O)c1c[nH]c(CBr)c1 2190546555 HMNLMAYYHFWBAN-SMMRIJLZSA-N 453.402 3.914 50 10 JHGE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2201351600 LHTHYYGKUSHWOJ-BEFAXECRSA-N 459.406 3.507 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 2313892231 AGYSDORFJMXWOL-KRWDZBQOSA-N 455.580 3.713 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2325062325 DVRJLGUDAZYFRE-VFNWGFHPSA-N 493.692 3.582 50 10 JHGE COc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCC(=O)Nc1ccccc1 2328833278 BTKPSLMNYJWLQR-QHCPKHFHSA-N 498.580 3.712 50 10 JHGE CCCN1C(=O)/C(=N\NC(=O)c2cc(Br)ccc2O)c2cc(Br)ccc21 1499251 SUDFAMXMQWSLME-PGMHBOJBSA-N 481.144 3.808 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2C)C(=O)N1c1ccc(Br)cc1 33389438 WUFRRPVCCWCCEF-DTBMRADHSA-N 456.365 3.930 50 10 JHGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3ccccc3)cc2)cc1OC 33959266 VAQUOCCUVXGAOX-RDRPBHBLSA-N 489.528 3.583 50 10 JHGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)cc(I)c1O 58887755 STNYQKMDCZWFMO-ANQVYJHKSA-N 458.683 3.614 50 10 JHGE Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(C(=O)O)c3)c(Br)cc21 59857949 KRDNTQPHQKDCLJ-VZUCSPMQSA-N 489.713 3.537 50 10 JHGE Cn1cc(CC(CBr)(CBr)c2ccc(Br)cc2)nn1 236112882 ISBDQUPKVDIAFN-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE CCn1c(SCC(=O)NN=C(C)c2ccc(OC)c(OC)c2)nnc1-c1ccc(OC)cc1 254828275 JYORUDGCSAIPDZ-UHFFFAOYSA-N 469.567 3.623 50 10 JHGE O=C(Cn1ncc2ccccc21)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 730513159 VTBPRSDKLVEPQQ-UHFFFAOYSA-N 456.531 3.666 50 10 JHGE Cn1cc(C(=O)NNS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)c2ccccc21 730765982 UINWJFOUMQJYOP-UHFFFAOYSA-N 491.392 3.688 50 10 JHGE COc1cc(OC)cc(C(=O)NNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 929086361 AQVPQVBXAIHOLO-GRSHGNNSSA-N 462.481 3.619 50 10 JHGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 1084030689 ZRVBSCUPVXBYJJ-UHFFFAOYSA-N 464.909 3.755 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 1084036607 RXERJHMMBPOSCK-UHFFFAOYSA-N 463.559 3.905 50 10 JHGE C=CCC1(O)CCN(C(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1 1303791314 NWMILIBCBQHBTG-UHFFFAOYSA-N 451.683 3.883 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2c(C)ccc(F)c2Br)cc1 1562847427 YUXSPBANZGURBJ-GFCCVEGCSA-N 452.280 3.719 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNc1ccc(F)cc1)CCC2 1772750469 AQXOGMHGAWAJHH-UHFFFAOYSA-N 465.441 3.863 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc(OC)c1O 1865714991 SIBCSMPRENJSTQ-HXUWFJFHSA-N 452.898 3.834 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)c(C)n2)cc1OC 1865758338 VTFFBGCJAYMARI-UHFFFAOYSA-N 470.323 3.912 50 10 JHGE Cc1nc(I)c(I)n1-c1cccc(CCl)n1 1936388752 PTKHYBUXYMCHBE-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE O=C(N[C@H]1C[C@@H]1CBr)c1ccc(Br)cc1I 1995286170 PSIKUYSIQCKHPQ-LDWIPMOCSA-N 458.919 3.567 50 10 JHGE CO[C@@H]1C[C@H](Cl)CN(C(=O)c2cc(Br)ccc2I)C1 2109024615 PBHRGYJREIVGHD-VHSXEESVSA-N 458.521 3.522 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(I)ccc2Br)C[C@@H]1Cl 2130815906 BZGCITQDHKMUMF-KPXOXKRLSA-N 458.521 3.568 50 10 JHGE C[C@@H]1[C@H](C(F)(F)F)N(C(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2172602953 AFFJTBJYXPBHCN-DGCLKSJQSA-N 458.319 3.838 50 10 JHGE C[C@H](CO[C@@H](CI)c1ccccc1Br)N1CCOCC1 2186733684 QCQXOEXMISXUFG-DOMZBBRYSA-N 454.146 3.663 50 10 JHGE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1csc(N(C)C[C@@H]2C[C@@H]2Br)n1 2198791033 ZSJJUEDDBWLGTB-AVGNSLFASA-N 462.410 3.882 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CC(OCCCBr)C1 2268345920 OULOSIUJWCDNFT-UHFFFAOYSA-N 458.521 3.571 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)C1(C(=O)O)CCC(NC(=O)OCc2ccccc2)CC1 2322608639 SGDIJXUIDIDIAR-KQUKSJNGSA-N 453.377 3.784 50 10 JHGE Clc1ccc(CN[C@@H]2CCCN(CCBr)C2)cc1I 2337223451 MNHINIGPDZVNHL-GFCCVEGCSA-N 457.581 3.894 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2338834653 ZUXQTBFBZVWIEQ-KFKAGJAMSA-N 483.428 3.563 50 10 JHGE O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 3081169 SCVTZBATIPQMHH-VULFUBBASA-N 450.882 3.647 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCC(C)C)c1 10283039 LSAOIZIXZVFAKP-KRWDZBQOSA-N 457.596 3.949 50 10 JHGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)c1 10671870 DIZDTCJCGKDPAP-ZDUSSCGKSA-N 464.385 3.884 50 10 JHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2Cl)cc1 13976897 UQXRKCHUXKKDJL-UHFFFAOYSA-N 496.976 3.615 50 10 JHGE C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14026999 WSFOGVIHZHDHQQ-SNVBAGLBSA-N 462.127 3.750 50 10 JHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14037175 WVUSPBBEXZPQHI-MRXNPFEDSA-N 451.548 3.732 50 10 JHGE Cc1c(Br)cc(NCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1Br 33154839 WEFNZRYCSAJDJD-ZBKNUEDVSA-N 470.121 3.990 50 10 JHGE COc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40649498 OLEXZNUSDNJYIW-UHFFFAOYSA-N 479.280 3.966 50 10 JHGE O=C(NNc1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657908 HKSLINPLWDUXJW-UHFFFAOYSA-N 461.251 3.655 50 10 JHGE COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)ccc1OCc1ccccc1 48572983 QHFXGSBJFXZCIU-MZJWZYIUSA-N 496.361 3.917 50 10 JHGE CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(OC)cc2OC)NC(=O)c2ccccc2)ccc1O 97385206 KKHBSVDREUSBSG-YFGGZYLHSA-N 489.528 3.729 50 10 JHGE COc1ccc2c(c1)[C@@H](NC(=O)C(F)(F)F)C/C2=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 105636659 HBJXUHHURQTFMX-CNDLQAKCSA-N 497.473 3.575 50 10 JHGE Cc1ccc(C=NNC(=O)[C@H](NC(=O)COc2ccc3ccccc3c2)C(C)C)cc1[N+](=O)[O-] 252589413 AKMJCLLJXUCJOH-XMMPIXPASA-N 462.506 3.726 50 10 JHGE CC(=NOCC(=O)NN=Cc1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3)c1cccs1 254294388 IQFUBNQFEOSUFV-UHFFFAOYSA-N 456.480 3.878 50 10 JHGE CCCCN1C(=O)C(=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 254371991 LXSVKFGDHKNANM-UHFFFAOYSA-N 482.587 3.830 50 10 JHGE COc1ccccc1OCCOc1ccccc1C=NNC(=O)CSc1nnc(C)s1 254514692 RKTMQFPNNGPPER-UHFFFAOYSA-N 458.565 3.555 50 10 JHGE Nc1ccc(O)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382740088 ZAYCZQAIGYKEHQ-WMLDXEAASA-N 452.292 3.762 50 10 JHGE FC(F)(F)Oc1c(CCl)cc(I)nc1I 396154188 CDOOADXZJPASJP-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE CC(=NNC(=O)[C@H]1Cc2ccccc2O1)c1cc(Br)cc(Br)c1O 748142805 WDENHLRGAGJFQW-OAHLLOKOSA-N 454.118 3.761 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 1154050316 JTDHYJJPSZOXRN-UHFFFAOYSA-N 456.571 3.691 50 10 JHGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)cc1 1772745155 RXFQATODMYTAQU-UHFFFAOYSA-N 461.474 3.803 50 10 JHGE CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866807099 JAVNKARJFCHXHW-SFHVURJKSA-N 496.010 3.619 50 10 JHGE COC[C@@](C)(CBr)CNC(=O)c1c(Br)cccc1Br 1926991992 GSPJGJADBPERME-ZDUSSCGKSA-N 457.988 3.989 50 10 JHGE CN1CC[C@H]([C@@H](Br)c2cc(Br)ccc2Br)S1(=O)=O 2029047101 PVDJSQROEAOASK-MNOVXSKESA-N 462.001 3.682 50 10 JHGE O=S(=O)(CI)Nc1cc(Cl)cc(Br)c1OC(F)F 2056606355 VGXQMAOAENUNCB-UHFFFAOYSA-N 476.464 3.838 50 10 JHGE C[C@@H](Br)c1ccccc1NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108247124 ZDPITNSAEBPCJO-ZUOKHONESA-N 483.359 3.909 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146693397 NBWBRXWRONXBTB-TVYUQYBPSA-N 470.532 3.712 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)ccn2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2179812526 RDZHESQQRCTKCH-BRWVUGGUSA-N 452.418 3.649 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(S(=O)(=O)c1ccc(CBr)cc1)C2 2234879359 UWCKCNFYQKNLER-VYDXJSESSA-N 459.406 3.505 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@@H]2C[C@H]2[C@H]1CBr 2277927276 LADSHICDNFXNPC-ZWKOPEQDSA-N 451.984 3.996 50 10 JHGE O=C(NC[C@@H]1CC[C@@H](CCl)CO1)c1ccc(I)c(Br)c1 2279401441 LKKPEGDULYLUJY-ONGXEEELSA-N 472.548 3.818 50 10 JHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 2313890133 AKSWRPBNPPZOSH-UHFFFAOYSA-N 468.362 3.506 50 10 JHGE O=S(=O)(NCCSCCBr)c1cc(Br)ccc1Br 2314040867 FRYOWUGEPHKGFC-UHFFFAOYSA-N 482.057 3.618 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2314771024 NEAPWYKELMHEDO-UHFFFAOYSA-N 497.485 3.578 50 10 JHGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12 2328808880 JGCUTTNYILWNHX-UHFFFAOYSA-N 478.508 3.985 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@H]1CCCC[C@@H]1Br 2338691091 OKSOUDWNTZCWPN-YUMQZZPRSA-N 457.992 3.723 50 10 JHGE CC1CC(CBr)(N(C)S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338853445 XRRUVKUIVVHANG-UHFFFAOYSA-N 485.444 3.668 50 10 JHGE CC[C@H](C)Oc1cccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)c1 10661217 JOADERAUNAIBMW-LBPRGKRZSA-N 468.291 3.552 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 12489277 ISUTYMSPUXCNQL-UHFFFAOYSA-N 470.707 3.974 50 10 JHGE O=C(NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40588823 RMAHYGLJZPDACE-UHFFFAOYSA-N 463.332 3.812 50 10 JHGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(OC)c1 254430633 WZIPRMPYYUPOQG-UHFFFAOYSA-N 474.542 3.645 50 10 JHGE CC(CCc1ccccc1)=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1 254763114 JUMDFVYMHICJJS-UHFFFAOYSA-N 476.566 3.572 50 10 JHGE COc1ccc(C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(OC)c(OC)c2)cc1OC 254879699 MEZUCQWVWRRZFC-UHFFFAOYSA-N 498.580 3.662 50 10 JHGE O=S(=O)(c1ccc(CCl)cc1Br)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 311430793 QVQRBMFFBUMWLJ-SJORKVTESA-N 455.805 3.835 50 10 JHGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1C 727365152 MWKBMUDPSSKEJX-KRWDZBQOSA-N 452.580 3.744 50 10 JHGE Cc1ccc(OCC(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1Cl 1084053453 KDOMFRJBDWVWMJ-UHFFFAOYSA-N 486.872 3.796 50 10 JHGE C#Cc1cccc(N(CC(=O)NC)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 1434929127 QCZJQHUQIMMIGE-PXLXIMEGSA-N 454.505 3.901 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)/C=C/c3ccc([N+](=O)[O-])s3)c(C)n2)cc1OC 1865759192 MYODIRLZHSYCJA-BJMVGYQFSA-N 468.491 3.518 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc5ccccc5c4)c(=O)c23)C1 1865851684 GECPEKWECGYPSG-LSDHHAIUSA-N 460.559 3.758 50 10 JHGE CN(CC1(Br)CC1)S(=O)(=O)c1ccc(CBr)cc1Br 1887894197 YYLWWMXKKHMCOU-UHFFFAOYSA-N 476.028 3.892 50 10 JHGE BrC[C@H]1[C@H]2C[C@H]1N(c1ncc(I)cc1Br)C2 1993993238 XPHRPAUUBCEZNW-KADJCCMJSA-N 457.935 3.668 50 10 JHGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)c1csc(I)c1 2041116556 QTSKSVKZJAQRBN-JTQLQIEISA-N 450.086 3.988 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCN3CCC[C@H]3C2)C1 2078757499 BRCQQPYJVPSIKC-TXPKVOOTSA-N 464.388 3.835 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1cccc(Br)c1Br 2092339430 DNZGGZSWKVEKHZ-IUCAKERBSA-N 455.972 3.836 50 10 JHGE O=C(OCc1ccccc1)N1CCC(F)(CNS(=O)(=O)CCC(CCl)CCl)CC1 2106295374 GPKRMXVAOXCJKX-UHFFFAOYSA-N 469.406 3.531 50 10 JHGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC[C@H](CBr)C(C)(C)C)CC1 2107393913 SBGUYBOUKJTIGZ-QWXGXRTQSA-N 454.475 3.999 50 10 JHGE C[C@@]1(CBr)CC(F)(F)CN1C(=O)Cc1ccccc1I 2159039496 CBTYLTNZANJIOS-ZDUSSCGKSA-N 458.084 3.855 50 10 JHGE CC(C)n1cc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179858724 SHCRMRDNCKRXAY-SFHVURJKSA-N 454.434 3.859 50 10 JHGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@H](CCl)O1 2207272838 PSNZOTAETKUPSU-JTQLQIEISA-N 472.548 3.912 50 10 JHGE CCN(C[C@@](C)(CI)OC[C@H]1CCCN(C)C1)C(=O)OC(C)(C)C 2214887398 VYALJZWBEOBLHF-MAUKXSAKSA-N 454.393 3.796 50 10 JHGE Cc1cc(C=C(C#N)C(=O)O[C@@H](C)C(=O)Nc2ncnc3[nH]cnc23)c(C)n1-c1cccc(Cl)c1 2297431494 MDAMWXNLHFVEAC-HNNXBMFYSA-N 489.923 3.891 50 10 JHGE CCn1ncc(Br)c1C(=O)N[C@@H](CCBr)COCc1ccccc1 2303550278 GKRKUNAFUVWQAU-AWEZNQCLSA-N 459.182 3.766 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(CCOCCI)C1 2306804736 LGZMJTVPWTYREA-HZPDHXFCSA-N 452.377 3.550 50 10 JHGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNCCc2ccccc2Br)cc1OC 2325051846 ZTASZZIKCWUEIF-OAHLLOKOSA-N 458.356 3.883 50 10 JHGE Clc1ccc(CN2C[C@@H]3CCO[C@]3(CBr)C2)cc1I 2337217693 AEIWCEWVCVEWHU-SMDDNHRTSA-N 456.549 3.930 50 10 JHGE C[C@H](NC(=O)c1c(Br)c(Br)nn1C)[C@H]1CCC[C@H]1Br 2338863575 LSNUQKJANMFWBL-XLPZGREQSA-N 457.992 3.627 50 10 JHGE Clc1ccc(I)cc1CN1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2352413180 DOZXYTOXIJYXRA-SUHUHFCYSA-N 456.549 3.786 50 10 JHGE Cc1ccc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)cc1[N+](=O)[O-] 2369430969 LDGGHJGLPBMJBG-INIZCTEOSA-N 457.346 3.552 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 13979074 DZJKASFHNWTPJD-UHFFFAOYSA-N 491.411 3.691 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)O 59335381 GCSIFDQSYGLFFH-AUWJEWJLSA-N 492.269 3.617 50 10 JHGE O=C(COc1ccccc1-c1cnoc1)NN=Cc1coc2ccc(Br)cc2c1=O 252630057 UTMAGMLERZZXCR-UHFFFAOYSA-N 468.263 3.740 50 10 JHGE COc1ccccc1NC(=O)C(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C 725408532 MFMCABSISBVZNX-UHFFFAOYSA-N 469.339 3.954 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c(-c2ccccc2)n1 761374238 AMLUBYHACBLCQC-HMMYKYKNSA-N 483.532 3.864 50 10 JHGE C#CCOc1c(Br)cc(C=NNC(=O)c2ccccc2Br)cc1OC 1084024344 ZVAUONYJHYXYMW-UHFFFAOYSA-N 466.129 3.996 50 10 JHGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cc([N+](=O)[O-])ccc1O 1084110740 XTRYDPHWAVWDLQ-UHFFFAOYSA-N 461.481 3.841 50 10 JHGE COc1cc(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC 1084322892 DLWLTNGZIRZZJJ-UHFFFAOYSA-N 454.310 3.888 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(Br)c2Cl)cc1 1670741340 CSXAFRJYVRCRAT-LLVKDONJSA-N 454.708 3.925 50 10 JHGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744992 NZVHGXIRIYUDTH-UHFFFAOYSA-N 461.474 3.803 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749009 VPFUCEQJTMHMJW-UHFFFAOYSA-N 470.485 3.879 50 10 JHGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1860822787 NFSOYBXXGJZSMR-GFMRDNFCSA-N 479.836 3.837 50 10 JHGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)c(O)c(OC)c2)cc1 1865689305 PBCMCLHZSGYLBN-LJQANCHMSA-N 483.322 3.884 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4)cc3n2)cc1 1867195662 ZMAKJTDNRMVTDE-JOCHJYFZSA-N 498.568 3.576 50 10 JHGE O=[N+]([O-])c1ccc(I)c(I)c1CBr 2060236660 XMOFUFWFGPVAED-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE C[C@H](Br)C[C@@H]1COCCN1c1ncc(I)cc1Br 2069533126 YSAPQDFAFRTZQS-WCBMZHEXSA-N 489.977 3.827 50 10 JHGE COC1CC(CBr)(NC(=O)c2cc(Br)sc2Br)C1 2077903161 ZAPLWBRRXUCPRT-UHFFFAOYSA-N 462.001 3.945 50 10 JHGE O=C(NC[C@@H](CBr)C(F)(F)F)c1cc(I)ccc1F 2113355607 KXBUMGBPCILWIR-ZCFIWIBFSA-N 453.999 3.734 50 10 JHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2c(Br)cccc2Br)CCO1 2117532785 VDLIZODQEYSOJL-KCJUWKMLSA-N 455.972 3.836 50 10 JHGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2123243211 GXADWVDNTYXDHX-IRXDYDNUSA-N 455.443 3.581 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163052890 IJHYHQKKQVUAFE-LSDHHAIUSA-N 461.422 3.848 50 10 JHGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC[C@H](CBr)c2ccccc2)CC1 2163059038 PZCAQQSNXPWCMJ-CBZJRKILSA-N 460.438 3.731 50 10 JHGE O=C(c1ccccc1I)N1CCC(COCCBr)CC1 2167402555 XCAAAVAQTXPMRT-UHFFFAOYSA-N 452.130 3.555 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178090251 GNZOPJAUNLNQIH-XRNSZHNASA-N 467.983 3.694 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185292696 JLNTZACJHCQWSI-ZEGGKSINSA-N 470.532 3.712 50 10 JHGE C[C@]1(CCl)COCCN(C(=O)c2cc(Br)ccc2I)C1 2199826910 FVYOFWMQNPHZTH-CQSZACIVSA-N 472.548 3.771 50 10 JHGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[C@@H]1Br 2221688873 OTIAKLPXEFFCHM-VHDGCEQUSA-N 476.209 3.785 50 10 JHGE Cc1c(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc(B(O)O)c1Cl 2257383331 UZHLKOKFRNWTDE-UHFFFAOYSA-N 492.768 3.586 50 10 JHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1ccc(Cl)c(I)c1 2268351313 WFGHLWOGIVTAMH-SCZZXKLOSA-N 458.521 3.569 50 10 JHGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1 2314740305 GUPYGUDBRADVDB-UHFFFAOYSA-N 464.518 3.772 50 10 JHGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1 2318454762 FZRLCHUNYBKKFV-UHFFFAOYSA-N 479.389 3.654 50 10 JHGE O=C(NN=Cc1ccc(Cl)c(Cl)c1)[C@H](Sc1nnc(O)nc1O)c1ccccc1 2323176843 NHTFIHWYAFHSAM-CQSZACIVSA-N 450.307 3.573 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C=Cc4ccc(Cl)cc4)c(=O)c23)C1 2325886169 BWRAYAHZFYUMAQ-UONOGXRCSA-N 470.982 3.658 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2330876494 CPJWHESKWYGXOY-ZXFLCMHBSA-N 474.012 3.755 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)[C@H]1CCCC[C@H]1Br 2338691090 OKSOUDWNTZCWPN-SFYZADRCSA-N 457.992 3.723 50 10 JHGE Cc1ncnc(N2CCC[C@H](Br)[C@H]2C(F)(F)F)c1I 2344083759 GMENATPKEAKCHY-CBAPKCEASA-N 450.040 3.684 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C1)N(S(=O)(=O)c1ccc(CBr)cc1)C2 2357170134 MXHZTJONWMXJSJ-BZUAXINKSA-N 459.406 3.648 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2364214936 QLXPXEIDJJGXMC-OKZBNKHCSA-N 497.455 3.668 50 10 JHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1 14029067 APFNFUMHLOFZTH-UHFFFAOYSA-N 457.596 3.977 50 10 JHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/Nc1ccc(F)cc1)CCC2 40823903 ZRRYICNKEMPIFT-OVVQPSECSA-N 450.470 3.963 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)cc1 58893300 KDKUJDUFTURRCU-DEYGKZMTSA-N 453.451 3.923 50 10 JHGE Cc1ccc(CN(CC(=O)NN=Cc2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 252610081 HZBOOFOVDYOOQQ-UHFFFAOYSA-N 478.618 3.711 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCc2ccc(Cl)s2)cc1 782543598 FTUNKVJXTZZZCO-GDNBJRDFSA-N 470.938 3.799 50 10 JHGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1)c1ccccc1 1084047102 GSWKOEDDLFOGSM-QGZVFWFLSA-N 478.936 3.685 50 10 JHGE COC(=O)c1c(NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(/C(C)=C/C#N)c1C 1873428833 VYWYHSPQEIKAFN-FMIVXFBMSA-N 496.501 3.693 50 10 JHGE O=C(c1csc(I)c1)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924241320 JMCKKBMWFNQTMM-ZWNOBZJWSA-N 456.143 3.511 50 10 JHGE C[C@H]([C@H](Br)c1ccc(I)c(Cl)c1)S(=O)(=O)N(C)C 2029075541 RRICVUOZKIHNII-HQJQHLMTSA-N 466.566 3.661 50 10 JHGE C[C@](CI)(OCCO[C@H]1CCOC1)c1ccccc1Br 2143660496 MVDHULAYVUTYEY-SWLSCSKDSA-N 455.130 3.921 50 10 JHGE O=C(c1ccccc1I)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2163351971 BUGXZVFXYMLLEU-WCBMZHEXSA-N 462.047 3.937 50 10 JHGE Cc1[nH]nc(S(=O)(=O)N(C)[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)c1CBr 2179808484 IPDPXFAMVKQSQZ-IAGOWNOFSA-N 456.406 3.617 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179835197 QMWILVIPFFNFHZ-HXUWFJFHSA-N 453.402 3.851 50 10 JHGE O=C(c1ccc(F)cc1I)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2190678417 LJWUKDYKOSKIHV-JBSCMGISSA-N 456.068 3.909 50 10 JHGE CCN1CC[C@H]([C@@H](Br)c2ccc(Cl)c(I)c2)S1(=O)=O 2268284945 YNEYEENUVMNCLX-NEPJUHHUSA-N 478.577 3.805 50 10 JHGE Cc1c(C(=O)N[C@H](CCBr)COCc2ccccc2)c(Br)nn1C 2303549408 VCXCLAKNLDRJFH-CQSZACIVSA-N 459.182 3.591 50 10 JHGE C[C@@H](CC1CCN(CCOCCI)CC1)N(C)C(=O)OC(C)(C)C 2306802023 LLNXKPJBDGJTLG-HNNXBMFYSA-N 454.393 3.796 50 10 JHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620193 LZUHKBDHUIQKCF-UHFFFAOYSA-N 496.523 3.703 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OC)c1 2314737506 PYUYIEAXLNWZGO-UHFFFAOYSA-N 480.561 3.955 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CCC[C@@H](Br)C1 2338691254 QAGOIQBHJHGNHN-HTQZYQBOSA-N 457.992 3.629 50 10 JHGE C/C(=N\NC(=O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 38206077 HLIWCNLJBLSXBW-CIAFOILYSA-N 487.270 3.664 50 10 JHGE CCOc1ccc(N/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c([N+](=O)[O-])c1 39894148 VXPBLECWMOUDDW-RCCKNPSSSA-N 476.489 3.749 50 10 JHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814780 NGKOGEIHGMZTJK-NLRVBDNBSA-N 477.477 3.732 50 10 JHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2C(C)(C)C)c(OC)c1 40878660 PYUYIEAXLNWZGO-XSFVSMFZSA-N 480.561 3.955 50 10 JHGE COc1cc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 58929713 MTTLJUKAYSOGRT-FPTDNZKUSA-N 477.473 3.829 50 10 JHGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3cn(-c4ccccc4)nc3-c3cccnc3)ccc12 254392379 YONHIBHLODFADW-UHFFFAOYSA-N 479.496 3.878 50 10 JHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1scc(Br)c1Br 705425331 KIMGWJCFENWUBL-MRVPVSSYSA-N 475.044 3.862 50 10 JHGE Cc1cc(/C=C(\C#N)C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c(C)n1-c1ccc(F)cc1 728210954 BIFHJYHWTPMHDD-XMHGGMMESA-N 493.564 3.724 50 10 JHGE CC(=O)N[C@H](C(=O)NNc1c(C)cccc1Br)c1cccc(Br)c1 1639914633 GSYWKLCWZQDCPN-INIZCTEOSA-N 455.150 3.841 50 10 JHGE O=C(NOCCCNS(=O)(=O)CCCCCl)OCC1c2ccccc2-c2ccccc21 1955856368 GDMVPVIPQIFEEB-UHFFFAOYSA-N 466.987 3.785 50 10 JHGE CCN1CC[C@@H]([C@@H](Br)c2cc(Cl)ccc2I)S1(=O)=O 2089524076 RUGOSTMBKDSNSJ-RYUDHWBXSA-N 478.577 3.805 50 10 JHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2ccc(I)c(Cl)c2)C1 2109024047 MPMDYMUEAJDIRK-UWVGGRQHSA-N 458.521 3.569 50 10 JHGE F[C@@H](CBr)C1CN(c2ncc(C(F)(F)F)cc2I)C1 2110587622 MGSFVOLGJZQSDI-QMMMGPOBSA-N 453.015 3.874 50 10 JHGE CN([C@@H]1CCCCC[C@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2115917536 GMTZGDLPJMZAAL-RTBURBONSA-N 485.444 3.811 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@@H]2[C@@H](C)Br)cc1Br 2125871098 RSXKZDNDCCLFST-SOCHQFKDSA-N 476.028 3.970 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H]2C[C@H]1[C@@H]2CBr 2138262706 QAEHRSIRMKYXIJ-ZOFUNIGCSA-N 474.012 3.616 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@@H](Br)C(F)(F)CC1 2150018910 NCAIICMKVLKQFA-LLVKDONJSA-N 460.056 3.632 50 10 JHGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(CBr)cn2)C1 2179810285 CXBNGCKNMKDDNW-UHFFFAOYSA-N 452.418 3.509 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNS(=O)(=O)c3ccc(CBr)cc3)C[C@@H]21 2205602300 DSXWDPNPNSWZMS-OIISXLGYSA-N 459.406 3.505 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2328829455 DQSSHSDWMHQLEO-NRFANRHFSA-N 466.538 3.554 50 10 JHGE C[C@@H](Br)[C@@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338844178 ZBNWJGXXEFIEEW-APWZRJJASA-N 485.444 3.811 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@H](CBr)C12CCC2 2379722321 VGIUSSFDFLUCMR-APWZRJJASA-N 497.455 3.716 50 10 JHGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 9229884 INBLZKFXFOITBM-OVCLIPMQSA-N 476.514 3.523 50 10 JHGE COc1cc(/C=C(/C#N)C(N)=S)cc(I)c1OCc1ccccc1C#N 33392109 OTLRFENDWROTIC-UUASQNMZSA-N 475.311 3.944 50 10 JHGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40658373 VYMHQPQSVACPPC-UHFFFAOYSA-N 486.286 3.606 50 10 JHGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1OC 40858383 ICEFFHDBFXJPEQ-FOWTUZBSSA-N 484.559 3.897 50 10 JHGE COC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 58889307 IBWKMPHXRQVOTK-OYPWENPISA-N 483.746 3.618 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccncc1 59475523 WLOCEIIAIMSCAU-SQAVSUBZSA-N 455.975 3.756 50 10 JHGE CCOc1ccc(CCN/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OCC 217230916 LPRKXMCOPFRGPQ-ICFOKQHNSA-N 454.483 3.579 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 254849483 UAHFIGKBEFUNEC-UHFFFAOYSA-N 462.531 3.601 50 10 JHGE ClCc1csc(CCn2cnc(I)c2I)n1 309166808 YMKNERLLEFLWMW-UHFFFAOYSA-N 479.512 3.530 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cccc(O)c1 725443613 XHJBRYIMRROYBW-UHFFFAOYSA-N 456.959 3.678 50 10 JHGE C=CCc1cccc(C=NNC(=O)[C@@H](C)Nc2ccc(I)cc2C)c1O 1083974961 IMCXAYFTOSLDGI-CQSZACIVSA-N 463.319 3.984 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)/C=C/c4ccc(Cl)cc4)c(=O)c23)C1 1860771627 BWRAYAHZFYUMAQ-DXHQHAPDSA-N 470.982 3.658 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OC(=O)c1ccccc1 1865704921 HYGSBXNXUIOHLR-QGZVFWFLSA-N 470.407 3.885 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2c(Br)cccc2Br)[C@@H]1Br 1910987704 ZEGZYEIULUWTJW-ONGXEEELSA-N 455.972 3.882 50 10 JHGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)N1CC(OCc2ccccc2)C1 1955760168 BZOFSKQGJVTNPP-FQEVSTJZSA-N 467.429 3.808 50 10 JHGE C[C@]1(CBr)COCCN1C(=O)c1scc(Br)c1Br 2049904032 PLWRRNOZMHGYIU-NSHDSACASA-N 462.001 3.899 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179815664 FYERGJAIBUGVBV-FQEVSTJZSA-N 453.402 3.770 50 10 JHGE O=S(=O)(CCC(F)(F)CBr)N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2179952316 KQUKAUOQXNUHQZ-ROUUACIJSA-N 465.404 3.723 50 10 JHGE O=C(O)CSc1nc2cc(I)ccc2n1C[C@H]1C[C@H]1Br 2196886514 SDARPXZHOWJADE-VXNVDRBHSA-N 467.126 3.601 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H]3C[C@H]3[C@@H]2CBr)cc1Br 2199022191 HKXGVCQOXHHEDF-SBMIAAHKSA-N 488.039 3.924 50 10 JHGE Cc1sc(CBr)cc1S(=O)(=O)N(C)C[C@]1(Br)CC1(F)F 2202537551 PMYYBXIHAQXCJL-SNVBAGLBSA-N 453.168 3.745 50 10 JHGE O=C(N[C@]1(CBr)C[C@H]2CC[C@H]1C2)c1ccc(I)c(O)c1 2283925089 WYWRCWYFMLWOLX-ZSGNIPIJSA-N 450.114 3.680 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H]2OCC[C@@]2(CBr)C1 2296390701 DHQLINGOFUCWNS-TZMCWYRMSA-N 470.532 3.571 50 10 JHGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2296849751 MSBWQPGDXBIXSQ-LJQANCHMSA-N 489.601 3.613 50 10 JHGE CCOc1cc(C=NNC(=O)COc2cc(C)ccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])o1 2297708077 CBHKWGDQFXDFJB-UHFFFAOYSA-N 481.461 3.952 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2C[C@H]1[C@@H]2CBr 2311861777 AONOWZJTKUCREE-KOLSJAJHSA-N 484.957 3.909 50 10 JHGE COc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(OC)c1 2314616647 GICIBCRTSUNCDE-UHFFFAOYSA-N 462.502 3.556 50 10 JHGE CN(C)C[C@@H](Br)CN(C)Cc1ccc(I)c(Br)c1 2325207009 MWUUMGMWTHFQIO-LLVKDONJSA-N 490.021 3.811 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCl)c1cccs1 2338852889 TXFCDBUDRMMEKR-QGZVFWFLSA-N 455.001 3.804 50 10 JHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 13621134 HMNIECMRBAAYIR-OBGWFSINSA-N 459.571 3.953 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 38650331 GVMYCCLZOYYGMI-RUZDIDTESA-N 458.470 3.906 50 10 JHGE Nc1c(NNC(=O)c2ccccc2Cl)ncnc1Nc1ccc(I)cc1 40782370 RLJWRHMDWWLSSJ-UHFFFAOYSA-N 480.697 3.817 50 10 JHGE COc1cc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)ccc1OC(C)=O 254307150 DUJJKOADWSVBFF-HRRIPSNZSA-N 463.515 3.603 50 10 JHGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)ccc1OC(=O)c1ccc(OC)cc1 254865130 UQYDVKZVQRJMBT-UHFFFAOYSA-N 479.464 3.541 50 10 JHGE O=C(Cl)c1c(I)cc(OC(F)(F)F)nc1I 396182946 QVKAFTZHVYQXBY-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE COc1nc(C)cc(C)c1CNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727605553 NLZLMIQAFAQSST-UHFFFAOYSA-N 452.486 3.569 50 10 JHGE O=C(NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12)c1ccc2c(c1)OCO2 727721964 BYSGOSKYWCEYTE-UHFFFAOYSA-N 460.421 3.710 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Oc3cccc(F)c3)nc2)cc1 1673271387 TZJMEVIGDJXALN-OAHLLOKOSA-N 452.442 3.836 50 10 JHGE CCOC(=O)Cc1c(I)ncc(CBr)c1OC(F)(F)F 1848387584 FYMVWKLEGVMLQM-UHFFFAOYSA-N 468.007 3.585 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCCl)Cc1ccsc1 2114656520 DWDDTSTYMRUSMJ-UHFFFAOYSA-N 455.001 3.585 50 10 JHGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2ccc(CCBr)s2)CC1 2123242222 TYMHPWRHCSAFSW-UHFFFAOYSA-N 457.459 3.971 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2139255080 NOBQMQULCIMVBO-IVZWLZJFSA-N 455.159 3.773 50 10 JHGE O=C(NCc1cc(CCl)no1)c1ccc(Br)cc1I 2142281926 WRTIGFDFAAIJDD-UHFFFAOYSA-N 455.477 3.711 50 10 JHGE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163055643 JUIXHAZVHUEURS-LSDHHAIUSA-N 461.422 3.848 50 10 JHGE O=C(NC[C@@H]1C[C@@H]1Br)Nc1c(Br)cc(Br)cc1C(=O)O 2196902415 BJIXJALNTUNHBC-XNCJUZBTSA-N 470.943 3.815 50 10 JHGE C#CC[C@@](C)(CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2205646629 DACVECLNGUNMCX-ZDUSSCGKSA-N 488.039 3.914 50 10 JHGE CC(C)(C)OC(=O)NC1C[C@H]2COC[C@@H](C1)C21CC[C@@](C)(CI)O1 2249319757 KAYLYFOCNRYBHV-INWSAYAOSA-N 451.345 3.679 50 10 JHGE N#CC(C(=O)N1CCCCC1)=C1N=C(NC(=O)c2ccc(Br)cc2)c2ccccc21 2296842975 QJJUENXOBQFRTI-UHFFFAOYSA-N 463.335 3.886 50 10 JHGE CC(C)C[C@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823697 DNZQPXXTMVAEHC-INIZCTEOSA-N 473.433 3.572 50 10 JHGE CC1(C)OC[C@@H](NC(=O)c2ccc(Cl)cc2I)[C@H]1Br 2340054598 AFDHCNIOOUKUOH-GHMZBOCLSA-N 458.521 3.615 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC[C@@H](CCl)O2)C1 2362004234 NUSHEYFHAVNEBY-JTQLQIEISA-N 470.532 3.666 50 10 JHGE C[C@@H]1[C@H](Cl)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364195482 QNFHLHCWMQQDAU-XNFNUYLZSA-N 453.004 3.653 50 10 JHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1C 14036178 FZEAFMKERCHHCW-UHFFFAOYSA-N 463.987 3.932 50 10 JHGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc1OC 40970642 JTRVIVITUGYWJN-WVLWAFGASA-N 464.518 3.772 50 10 JHGE COC[C@H](Br)CN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 147639179 RGUSVPXDWRHDQS-MRVPVSSYSA-N 470.010 3.786 50 10 JHGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 206829535 PRQDAKOOXBGMQD-AUWJEWJLSA-N 455.580 3.859 50 10 JHGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)N2CCC(Cc3ccccc3)CC2)c1 216881037 JSJUFLWBCQBWCF-FXBPSFAMSA-N 461.518 3.560 50 10 JHGE COc1ccc(CC(=O)NN=C2C(=O)N(CN(CC(C)C)CC(C)C)c3ccccc32)cc1 254515232 XIVOMVATBMMZLQ-UHFFFAOYSA-N 450.583 3.676 50 10 JHGE CN(Cc1ccccc1F)C(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 748916259 HBRRHMLBGCURCM-STZFKDTASA-N 471.492 3.712 50 10 JHGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2cccc3c2OCCO3)cc1 1084184908 JOCVHVLXNGGHHX-UHFFFAOYSA-N 499.976 3.841 50 10 JHGE C[C@H](Br)[C@@H](NC(=O)c1cccc(F)c1I)C(F)(F)F 1882674682 OCTXSSZFIHXAEU-SSDLBLMSSA-N 453.999 3.874 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCCC2)C[C@@H]1CBr 1912788351 YQIXHYXTILNRSE-MRXNPFEDSA-N 497.455 3.668 50 10 JHGE O=C(N[C@@H](CCl)C[C@H]1CCCO1)c1cc(I)ccc1Br 1926748246 HGARANHOSHEIFM-GHMZBOCLSA-N 472.548 3.960 50 10 JHGE O=C(c1ccc(Br)cc1I)N1C[C@H](F)[C@H](Br)C1 2026222347 XGNGZCQVNRZUDO-BDAKNGLRSA-N 476.909 3.611 50 10 JHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1csc(Br)c1Br 2032953859 RMYHFSNATRVADL-RNFRBKRXSA-N 462.001 3.898 50 10 JHGE C[C@H](Br)[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)CCO1 2053851376 RNNUUMNYMUGPBV-POYBYMJQSA-N 462.001 3.898 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCOC[C@H]1CCBr 2092335122 YYPBSPFSZLRTHT-SECBINFHSA-N 455.972 3.838 50 10 JHGE O=C(NC[C@@H]1C[C@H](Cl)CCO1)c1cc(Br)ccc1I 2097938981 RGLFLAWANLYGFE-ZJUUUORDSA-N 458.521 3.570 50 10 JHGE CN(C[C@H]1CCCCN1S(=O)(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2163052203 AZNISFMCUZUZMI-MRXNPFEDSA-N 461.422 3.992 50 10 JHGE C[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)[C@H]1CNC(=O)OC(C)(C)C 2163055785 KZGHDMFDNONFEG-PBHICJAKSA-N 461.422 3.895 50 10 JHGE CC1(C)CO[C@H](CBr)CN1S(=O)(=O)c1cc(Cl)c(Br)s1 2167521748 LAXFEMXYYYMGHB-SSDOTTSWSA-N 467.632 3.727 50 10 JHGE C[C@@]1(CBr)COCCN1c1ncc(C(F)(F)F)cc1I 2169033157 MYINSLKISVQSPM-LLVKDONJSA-N 465.051 3.695 50 10 JHGE O=C(N[C@@H]1CC[C@H]1CBr)c1cc(I)ccc1Br 2213316217 HWDTYIKYMGPDAV-WRWORJQWSA-N 472.946 3.957 50 10 JHGE O=C(Nc1ccc(I)cc1)N1CCC(CI)CC1 2220020368 KEBDWOQLCSZADK-UHFFFAOYSA-N 470.092 3.970 50 10 JHGE C[C@@H](Br)CN(CC(C)(C)C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2259725623 XGXBTGARWBFAOH-OAHLLOKOSA-N 473.433 3.524 50 10 JHGE C[C@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1Cc1ccccc1 2306408760 NJKHVAZBQRFITE-HTAPYJJXSA-N 469.673 3.600 50 10 JHGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314619845 GGBLICLAXWUPLH-UHFFFAOYSA-N 492.503 3.577 50 10 JHGE COc1ccc([N+](=O)[O-])c(C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 2326843845 ZCRALQPZIBIGRM-UHFFFAOYSA-N 464.865 3.938 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](NCC2CC(Br)C2)(C(=O)O)[C@@H]1C(F)(F)F 2377466261 YTHOFZFOUMOGII-CUJYKCCASA-N 459.303 3.535 50 10 JHGE Cc1ccc(S(=O)(=O)CCC(=O)NNc2nc3c(Br)cccc3s2)cc1 10045940 UCZHTHLSILQXRK-UHFFFAOYSA-N 454.371 3.674 50 10 JHGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1 14666923 XZLQGITWFIEYKJ-UHFFFAOYSA-N 455.736 3.977 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cnn(C(C)C)c1 20827467 MASQYNAFPGWLMH-YSURURNPSA-N 473.006 3.749 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(O)c(OCC)c1 58992070 OUKDFQXSIPFTNZ-PCLIKHOPSA-N 465.579 3.596 50 10 JHGE O=C(CSCc1ccccc1)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59165937 DCGXTKBTQFQWAK-WNAAXNPUSA-N 460.515 3.895 50 10 JHGE O=[N+]([O-])c1ccc(O)c(/C=N\CCSSCC/N=C/c2cc([N+](=O)[O-])ccc2O)c1 102655733 ILORXTICBAGNCW-UHWBUFEVSA-N 450.498 3.834 50 10 JHGE Cc1cc(C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)c(C)n1-c1ccccc1 110755983 DCMWNVNDEWTYAF-RUZDIDTESA-N 472.589 3.855 50 10 JHGE Cc1cccc(C(=O)N[C@@H](CI)C(C)C)c1I 232734530 VHNGTVZOEVDKSP-NSHDSACASA-N 457.093 3.789 50 10 JHGE O=C(CCCCCCC(=O)NN=Cc1ccc([N+](=O)[O-])s1)NN=Cc1ccc([N+](=O)[O-])s1 254837681 LNKDQMAAXKVZHV-UHFFFAOYSA-N 480.528 3.567 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 721567026 QSYMVOUWVKAATD-IRUJWGPZSA-N 450.114 3.775 50 10 JHGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3C)S(C)(=O)=O)c2C)c1 725412601 RTHPKDGYCDPECY-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE CN(Cc1ccccc1)C(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 761409743 GFVCTPRAEVGPBQ-PXLXIMEGSA-N 453.502 3.573 50 10 JHGE COc1ccc2c(c1)c(/C=N/NC(=O)[C@H](C)n1cnc3sc4c(c3c1=O)CC[C@H](C)C4)cn2C 1860774438 WWICOHUYYSLPQC-JEVRJXLVSA-N 477.590 3.794 50 10 JHGE COc1cccc(-c2ccc(C(=O)NNC(=O)Cc3ccc(Br)s3)c(C)n2)c1 1865758787 REAJMHTZXLVHBK-UHFFFAOYSA-N 460.353 3.893 50 10 JHGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H](Br)[C@H](Br)C1 1910007072 NFTPGHVWYGMSLP-RFZPGFLSSA-N 488.448 3.695 50 10 JHGE Cc1cccc(C(=O)N[C@@H](CBr)C[C@@H]2CCCO2)c1I 1926742570 XNWRMYLCAGASQF-NEPJUHHUSA-N 452.130 3.662 50 10 JHGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1cc(Br)sc1Br 2039822358 RVOWJGKRJGJYDC-RQJHMYQMSA-N 462.001 3.803 50 10 JHGE O=C(NCCOCCCI)c1cc(Br)cc(Br)c1 2042205318 ZBSJAPHHGSGWEU-UHFFFAOYSA-N 490.961 3.783 50 10 JHGE CN1CCC[C@H]([C@H](Cl)c2cc(I)ccc2Br)S1(=O)=O 2089534757 HSNZJQOJKACDJI-VXGBXAGGSA-N 478.577 3.758 50 10 JHGE CC1(C)C[C@H](Br)C[C@@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089699834 BEBVWHLHZKNJEX-HZPDHXFCSA-N 485.444 3.715 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1ccc(Br)cc1Br 2097946825 SXWIESXRYMKZRD-NXEZZACHSA-N 455.972 3.884 50 10 JHGE O=C(c1cccc(Br)c1Br)N1C[C@H]2COC[C@@H](C1)C2Br 2167780362 SRVRSMSIKIDMAS-USUYBEQLSA-N 467.983 3.694 50 10 JHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1C 2179788560 DJPSRHIYAKYFSB-UHFFFAOYSA-N 456.402 3.744 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2OCC[C@]2(CBr)C1 2278886568 GFWAYLDHFJLSFF-UFBFGSQYSA-N 474.012 3.899 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC#N 2313567961 QOVHWFZUZBAEBK-UHFFFAOYSA-N 481.350 3.616 50 10 JHGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(Cl)c1C 2317611635 CIYAKMSPJNVWEQ-JOCHJYFZSA-N 492.768 3.584 50 10 JHGE Clc1ccc(CN2C[C@@H]3OCC[C@]3(CBr)C2)c(I)c1 2341006168 QPPHBOQFLKSMFF-KBPBESRZSA-N 456.549 3.930 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14654275 AHHLWJONUKFAEC-UHFFFAOYSA-N 494.411 3.507 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2cccc(I)c2)cc1 100449598 YNATYFDQPIPSTM-ZDUSSCGKSA-N 452.292 3.645 50 10 JHGE COC[C@H](CCBr)NC(=O)c1cc(I)ccc1Br 228246255 BSUMKLDTNDQLMC-VIFPVBQESA-N 490.961 3.584 50 10 JHGE BrCc1ccccc1-n1cnc(I)c1I 307050348 REHATSWHZFUHBC-UHFFFAOYSA-N 488.892 3.976 50 10 JHGE N#C/C(=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CCCO2 725753517 OHHXLNRCGGLLDV-LDADJPATSA-N 475.936 3.950 50 10 JHGE O=C(NNS(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1OCc1ccc(F)cc1 728502635 OYMNAHLUFSMICP-UHFFFAOYSA-N 452.866 3.821 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 730908336 AGVKNGBNGGWWLG-LJQANCHMSA-N 486.544 3.748 50 10 JHGE Cc1ccc([C@H](CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)N2CCOCC2)cc1 918655138 DTYUBVKRZLRMQL-XKGHIZKOSA-N 494.599 3.869 50 10 JHGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)S(C)(=O)=O 1084146360 VVSUCCMHHQYLMY-UHFFFAOYSA-N 472.998 3.972 50 10 JHGE C/C(=C/c1ccc(Br)o1)C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 1295317556 MOUZLPIOSOFPJO-QXMHVHEDSA-N 456.362 3.666 50 10 JHGE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NN(C)C2CC2)c1 1299674779 LPCULKRUTHUVLU-UHFFFAOYSA-N 453.486 3.826 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1 1465207742 MHMBJCZULYQFBZ-ZDUSSCGKSA-N 452.433 3.594 50 10 JHGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccccc1I 1558144356 OMFTYZSXCNIBGQ-OAHLLOKOSA-N 459.328 3.984 50 10 JHGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851381 AGPBPGGTAFDDLZ-HOTGVXAUSA-N 482.606 3.636 50 10 JHGE Clc1ccc(I)cc1CO[C@H]1COC[C@@H]1I 1904936716 QPSDJVSNFSZJHK-QWRGUYRKSA-N 464.468 3.664 50 10 JHGE Cc1nc(S(=O)(=O)N(Cc2ccccc2)C2(CBr)CCC2)c(Br)n1C 1915756234 VUCAFUMOMFKQKG-UHFFFAOYSA-N 491.249 4.000 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1cc(Br)sc1Br 2006159104 NTKZAWUHGGCZAH-LWIVVEGESA-N 465.026 4.000 50 10 JHGE CCOc1ccc(I)c(C(=O)CBr)c1I 2060132838 NONLBWYYPGAOFT-UHFFFAOYSA-N 494.892 3.872 50 10 JHGE CCCN1CC[C@@H]([C@@H](Br)c2cccc(I)c2)S1(=O)=O 2089533985 CNHYHSOASCSJJN-STQMWFEESA-N 458.159 3.541 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Br)cc(Br)c2)C[C@H]1Br 2130822377 LVXHSGUDZLTCSO-IJLUTSLNSA-N 455.972 3.882 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(C(=O)N2CCC(Br)CC2)CC1 2163050376 JIETYJFOOJUJPR-CYBMUJFWSA-N 458.319 3.839 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@H]2COC[C@@H](C1)C2Br 2167780191 PPRLYMQRPWZYJM-PHXKMMTBSA-N 467.983 3.694 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179831551 YHBLQHOMUXJARC-OALUTQOASA-N 453.402 3.707 50 10 JHGE COCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1CCBr 2179834085 GPSBNNWXLWOVKF-UHFFFAOYSA-N 456.402 3.860 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@@H]2C[C@@H](Cl)C[C@H]21 2185306552 IRFVLEPRIMAGLO-ZWKOPEQDSA-N 470.532 3.665 50 10 JHGE Cc1cc(C(=O)N2CCOC[C@@H]2C[C@H](C)Br)ccc1I 2207097132 OIEOQVLJRIMULJ-AAEUAGOBSA-N 452.130 3.614 50 10 JHGE CC(C)(C)OC(=O)NC1C[C@H]2COC[C@@H](C1)C21CC[C@](C)(CI)O1 2249319756 KAYLYFOCNRYBHV-GEHYHNTPSA-N 451.345 3.679 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCCOCCOc1ccccc1 2278388009 YPZWKJJXJUNWTE-IBGZPJMESA-N 479.355 3.817 50 10 JHGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 2296731188 BUEPLBGROHDBIH-RTBURBONSA-N 487.560 3.561 50 10 JHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(NC(C)=O)cc2)cc1 2297298871 YKLYFUKJIIQWCW-UHFFFAOYSA-N 456.502 3.575 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)C)c(C)c2)c(OC)c1 2314737624 DCOHXJWZMBHMFP-UHFFFAOYSA-N 466.534 3.781 50 10 JHGE COc1ccc(CC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1OC 2326841463 DWBCABJHBOOQFB-UHFFFAOYSA-N 463.921 3.967 50 10 JHGE Cl[C@H]1C[C@@H]2CN(Cc3ccc(I)c(Br)c3)CCN2C1 2349829145 NCMQWEBTDDVDGP-NWDGAFQWSA-N 455.565 3.551 50 10 JHGE ClC[C@@]12COC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349831366 SRXZPZRPNMHRLK-BXUZGUMPSA-N 456.549 3.741 50 10 JHGE Cc1ccc(Br)c(C(=O)NCC(F)(F)C(F)(F)CI)n1 2361668712 VABNMSCBRUVXKR-UHFFFAOYSA-N 469.014 3.588 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2OC)c(Br)c1 14832286 XMFRLGIWBOAZRR-CQSZACIVSA-N 465.344 3.576 50 10 JHGE CCCCOc1ccc(Nc2ncnc(NNC(=O)COc3ccccc3)c2[N+](=O)[O-])cc1 40620092 CPTSERDZNLRBAU-UHFFFAOYSA-N 452.471 3.829 50 10 JHGE N#C/C(C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)=C1/NC(=O)c2ccccc2N1 49563487 RCODSXVLPWKIRQ-COOPMVRXSA-N 477.568 3.553 50 10 JHGE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NNC(=O)c2cccs2)cc1 205964365 OUGGYPCQIUDFTK-XSFVSMFZSA-N 450.495 3.855 50 10 JHGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)N1CCN(Cc2ccccc2)CC1 217257195 LLPOZKUADZRXPU-CYVLTUHYSA-N 486.357 3.763 50 10 JHGE O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@@]23CCCC[C@@]12[C@@H](Br)[C@@H]3Br 222342582 WCVOZXOSMBWBIV-BVBVUKCESA-N 493.199 3.554 50 10 JHGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 254741377 OTAZEBMHYIBREW-UHFFFAOYSA-N 451.548 3.739 50 10 JHGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)cc1 254855958 KXXHXLNNIMZJEX-UHFFFAOYSA-N 475.501 3.710 50 10 JHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(C)cc3)cc2)cc1 263632197 OANRBLCCSGWOAB-UHFFFAOYSA-N 473.529 3.883 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)CCOCc2ccccc2)C1 309848740 ZIGQNSPZGNSSJX-OAHLLOKOSA-N 454.224 3.804 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2S(=O)(=O)c2ccc(CBr)cc2)C1 1260505363 BSJVQNGHZQLFSL-IBGZPJMESA-N 459.406 3.746 50 10 JHGE CC(=O)N[C@@H](C(=O)NNc1ccc(Br)cc1F)c1cccc(Br)c1 1631046363 SPCZXJGVPWPGGQ-OAHLLOKOSA-N 459.113 3.671 50 10 JHGE Brc1cc(I)cnc1N1C[C@H]2C[C@@H](Br)[C@H]1C2 1988534792 PDSAVTHWZWFBQM-SKWCMTHISA-N 457.935 3.811 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@H](Cl)C(F)(F)C1 2034603889 ILSHPUXPDFUNHD-VIFPVBQESA-N 450.448 3.752 50 10 JHGE O=[N+]([O-])c1cc(I)c(CBr)cc1I 2060229752 CQHKGFRXWHMEQH-UHFFFAOYSA-N 467.826 3.699 50 10 JHGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)cc(F)c1F 2179859820 JONMAOZZWYYWPC-MRXNPFEDSA-N 459.356 3.755 50 10 JHGE CN([C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)CCC(F)(F)CBr 2179954898 SUNISJXUBNKOJR-BCDXTJNWSA-N 465.404 3.864 50 10 JHGE COc1ccc(CBr)cc1S(=O)(=O)N1CCC[C@H](OCc2ccccc2)C1 2186379664 BPRKQIUDKJNPHI-SFHVURJKSA-N 454.386 3.960 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1(C)C 2196362764 YIPNUMXZGLDEPW-GOEBONIOSA-N 461.422 3.799 50 10 JHGE Cc1scnc1CN(C)S(=O)(=O)c1cc(CBr)sc1Br 2201265539 WQWCNOHFIDZAQL-UHFFFAOYSA-N 460.238 3.991 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201761704 BAQYMCZRKQCKOG-OCCSQVGLSA-N 467.983 3.980 50 10 JHGE COc1cc([C@@H](Br)c2nn(C)nc2Br)c(OC)cc1Br 2235270001 QHEONWWRHHVMBF-SNVBAGLBSA-N 469.959 3.842 50 10 JHGE O=C(NC[C@@H](Br)CBr)c1ccc(Cl)c(I)c1 2243582920 XDKYPBVLJLDFJZ-ZETCQYMHSA-N 481.353 3.833 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H]2OCC[C@]2(CBr)C1 2278861832 KEUDLBYJCIKSBN-CABZTGNLSA-N 474.012 3.899 50 10 JHGE CN(Cc1ccccc1I)S(=O)(=O)[C@H]1CC[C@@H](CBr)C1 2280352517 SXIOYRLHRZYQGX-YPMHNXCESA-N 472.186 3.616 50 10 JHGE CCc1nn(-c2nccc(OC)c2CBr)c(CC)c1I 2281158876 IJTJAHOAUNDZST-UHFFFAOYSA-N 450.118 3.900 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CBr)c1csc(I)c1 2314944757 WCRJLWQWSKSXCW-UHFFFAOYSA-N 460.028 3.748 50 10 JHGE CC(C)Oc1ccc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1Br 2323098310 SRHWHLJRDXHPEU-UHFFFAOYSA-N 457.328 3.556 50 10 JHGE CC(C)[C@@H](Br)C(C)(C)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2340303354 NFAKWEGBVDWCAP-QGZVFWFLSA-N 487.460 3.674 50 10 JHGE Cc1cc(S(=O)(=O)NCC(F)(F)C(F)(F)CI)sc1Cl 2361669525 ZBCKSQYUUWOXOS-UHFFFAOYSA-N 465.659 3.694 50 10 JHGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 14035336 WTSJQEHUWDHVBS-UHFFFAOYSA-N 470.378 3.743 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C 14650297 GBKKDTSQCPFSPS-UHFFFAOYSA-N 494.411 3.651 50 10 JHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825718 OJUBGSDIKDCRRB-XHLNEMQHSA-N 473.577 3.773 50 10 JHGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(OC)c1 206311634 FFOUYIQEFRQMMY-PDGQHHTCSA-N 482.448 3.795 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC[C@H](CBr)C1 232472357 GXMXWOWYHARLLR-MRVPVSSYSA-N 472.946 3.911 50 10 JHGE Cc1csc([C@H](C)NC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)n1 727678203 KWJHHFIWNOSZFN-CIKBWMHTSA-N 468.970 3.628 50 10 JHGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 1084288077 UIYVWTQMAHTXRO-QGZVFWFLSA-N 478.936 3.685 50 10 JHGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698413 SPRXONIPAPSKRC-HXUWFJFHSA-N 465.307 3.933 50 10 JHGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2sc(Cc3ccccc3)nc2C)CC1=O 1865844845 AECYAKXGYIXQCX-OAQYLSRUSA-N 490.629 3.981 50 10 JHGE O=S(=O)(NC[C@]1(CBr)C[C@H]1C(F)(F)F)C1CC(OCc2ccccc2)C1 1877514766 VIQLXZYAJRNDHG-QDIHITRGSA-N 456.324 3.617 50 10 JHGE CC(C)(C)OC(=O)NCC[C@H]1CCN(CCI)[C@H](C(F)(F)F)C1 1900564346 GWVZNWIEPBCXQJ-RYUDHWBXSA-N 450.283 3.979 50 10 JHGE O=C(N[C@H](CCBr)C(F)(F)F)c1cccc(F)c1I 1918581837 CRYDXUCVWTVBPA-MRVPVSSYSA-N 453.999 3.876 50 10 JHGE C[C@@H](CBr)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1966465680 FMRYLGYVNOJPSO-INIZCTEOSA-N 464.445 3.807 50 10 JHGE C[P@]1(=O)C[C@@H](Cl)[C@@H](NC(=O)c2cc(Br)ccc2I)C1 2121338827 VSIWADKFHKWUAA-OKAXRFMISA-N 476.476 3.766 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Br)ccc2I)C[C@@H]1Cl 2130820312 WRDKNIIJARKUJH-PTOFAABTSA-N 458.521 3.568 50 10 JHGE CO[C@@H](CCBr)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2168515420 DZPPRRQQDRBJMM-QMMMGPOBSA-N 470.010 3.834 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178080972 BAUNPSTUCPDPPG-QWRKXWFKSA-N 467.983 3.694 50 10 JHGE O=S(=O)(c1ccc(CBr)o1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179869925 DZRKIFIUFDMBQO-FQEVSTJZSA-N 453.402 3.851 50 10 JHGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@H]1CCN(Cc2ccccc2)C1 2242039761 JUEUYIHGGFRPLY-PXNSSMCTSA-N 474.383 3.996 50 10 JHGE COc1cc(CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)cc(OC)c1 2256308887 FPFSCCSOWOZXKX-HZPDHXFCSA-N 463.312 3.643 50 10 JHGE NNC(=O)c1cc(Br)cc(Br)c1NC(=O)c1cccc(Br)c1 2295356095 JZYKKQNLWCVWBY-UHFFFAOYSA-N 491.965 3.830 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc(OC)c1OC(C)=O 2295672441 ZDFAZSIZCHIGQN-UHFFFAOYSA-N 458.492 3.801 50 10 JHGE N#CC(=Cc1cc(Br)c(N2CCCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 2313564840 AZHZCENFVFIOHR-PXNSSMCTSA-N 451.328 3.850 50 10 JHGE CCCNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(OCC)c(OC)c3)cc2oc1=O 2314751112 QOCPFRHSJPBGJE-UHFFFAOYSA-N 476.485 3.853 50 10 JHGE COc1cc(CCl)c(-n2c(C)nc(I)c2I)cn1 2315409059 GYZLWCWYARMYMJ-UHFFFAOYSA-N 489.482 3.532 50 10 JHGE CCC[C@@H](CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821421 FWDIIEYQGDOINY-INIZCTEOSA-N 473.433 3.716 50 10 JHGE CN([C@H](CBr)C(C)(C)C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338845665 SOSKFMATFGQNOZ-GOSISDBHSA-N 487.460 3.914 50 10 JHGE COc1ccc(NC(=O)C2=C3SCC(=O)N3C(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)cc1 2627782 CCLUAQXWUJZGNI-GOSISDBHSA-N 452.923 3.565 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2C)c(Br)c1 13977645 LLWXXUDSEWGEAX-UHFFFAOYSA-N 455.736 3.579 50 10 JHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 13978689 JVUKCTZCANXPCF-LFIBNONCSA-N 464.591 3.863 50 10 JHGE COC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 135634781 DXERAGCQPJPJOT-NGVSTBRYSA-N 452.931 3.526 50 10 JHGE in-vitro COc1c(Br)cc(/C=N\NC(=O)c2ccc(N)cc2)c(OC)c1Br 169900388 PJAATZFCFZZQRO-ZBKNUEDVSA-N 457.122 3.575 50 10 JHGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccc(C(=O)O)cc4)ccc3[nH]2)cc1OC 169925457 BAACGVJDZCBZOZ-WGARJPEWSA-N 458.474 3.633 50 10 JHGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2ccc(N3CCOCC3)s2)cc1 254404003 VDFKDGUPKOYQDY-OALUTQOASA-N 484.622 3.517 50 10 JHGE CN1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238515 UJOBWZDAKIEIJA-GOSISDBHSA-N 459.921 3.854 50 10 JHGE CC(C)(C)OC(=O)NC1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 918593531 HOQZDJVSRLCVPB-SILNSSARSA-N 474.565 3.886 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c1C 1083971875 HSRBTIAELZGWRG-QFIPXVFZSA-N 450.495 3.975 50 10 JHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 1084095457 OTDPUSKPCJEVFZ-UHFFFAOYSA-N 473.957 3.863 50 10 JHGE O=C(NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(Br)cc1 1317743565 JHKMSPLMZRIPPB-UHFFFAOYSA-N 453.218 3.728 50 10 JHGE O=C(c1csc(I)c1)N1CC[C@@H](CBr)C(F)(F)C1 2029708961 PQRGFRKTJCWQTQ-QMMMGPOBSA-N 450.086 3.845 50 10 JHGE COc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)c(F)cn1 2078930253 TTWXPHNIUMOODH-UHFFFAOYSA-N 479.997 3.933 50 10 JHGE CC[C@H](C)[C@@H](CI)NC(=O)Cc1ccccc1I 2081239109 OFPUYASZHFLHNU-GXFFZTMASA-N 471.120 3.800 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC[C@@H](Br)C1 2107487982 VVSHOXLDNNPQEA-HZPDHXFCSA-N 485.444 3.572 50 10 JHGE O=S(=O)(c1ccc(CBr)c(Cl)c1)N1CC2(CN(Cc3ccccc3)C2)C1 2123210120 MLOAZZIBLGSOCB-UHFFFAOYSA-N 455.805 3.741 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(S(=O)(=O)c3ccc(CBr)cc3)[C@@H]2C1 2163050010 FZYBSRRPWFIBDZ-DOTOQJQBSA-N 459.406 3.602 50 10 JHGE CO[C@@H]1CN(Cc2cc(Br)ccc2Br)[C@@H](CBr)[C@H]1OC 2233362413 UOHVKXIKIVHXGC-BFHYXJOUSA-N 472.015 3.821 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2240737722 LRLFJEASYKZJKH-JTDSTZFVSA-N 497.455 3.667 50 10 JHGE Cc1cc(C(=O)NC[C@@H]2CC[C@@H](CBr)CO2)ccc1I 2279420461 HBVLLNRXQJGJCJ-AAEUAGOBSA-N 452.130 3.520 50 10 JHGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cncc(CBr)c1 2283318834 BSHVUYXJMQDOTF-GOSISDBHSA-N 452.418 3.509 50 10 JHGE CN(CCBr)CCN(C)Cc1ccc(I)c(Br)c1 2325213521 KZQZXMMEUJBZJE-UHFFFAOYSA-N 490.021 3.812 50 10 JHGE COC(=O)c1cccc2c1c(C=NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)cn2C 2328796742 DEFIZVLWYWVHAP-FQEVSTJZSA-N 478.549 3.551 50 10 JHGE C[C@@H]1CC[C@@](CBr)(NC(=O)c2c(Br)c(Br)nn2C)C1 2338690970 MZTSHIJLZKFKSR-JMCQJSRRSA-N 457.992 3.629 50 10 JHGE Clc1ccc(I)cc1CN1C[C@@H]2OCC[C@]2(CBr)C1 2352416381 UJCPXJMFWXGUQI-KBPBESRZSA-N 456.549 3.930 50 10 JHGE O=S(=O)(c1sccc1Br)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361446639 PBLFPGSCMVBRRQ-SVRRBLITSA-N 457.131 3.990 50 10 JHGE COc1ccc(CC(=O)N2CCC(CI)CC2)c(Br)c1 2364162010 AZVMZHABMFVNDR-UHFFFAOYSA-N 452.130 3.674 50 10 JHGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 10295611 ZGTRNXDWSHIMMX-LBPRGKRZSA-N 480.384 3.584 50 10 JHGE COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)c1 13139077 RKQNTMGDOCXDJL-AFUMVMLFSA-N 484.578 3.822 50 10 JHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)c1 14040568 ISJQANAQSQBWOC-UHFFFAOYSA-N 475.545 3.941 50 10 JHGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 40814642 FJTWZUKVDPUGQV-OVVQPSECSA-N 461.478 3.851 50 10 JHGE O=C(NC1(CCBr)CCSCC1)c1ccc(I)c(O)c1 719664760 GZPNQWNCBLXVTF-UHFFFAOYSA-N 470.170 3.777 50 10 JHGE O=C(NC1CC(CBr)C1)c1ccc(I)c(Br)c1 721623363 WHPBJAVIVLCUQZ-UHFFFAOYSA-N 472.946 3.957 50 10 JHGE COc1ccc(CNC(=O)C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1 725436955 BQEMBZYNZZVCQT-UHFFFAOYSA-N 483.366 3.632 50 10 JHGE CCc1ccc(C(=O)N2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)cc1 914511803 CEIWADSENVCWSJ-NCELDCMTSA-N 492.583 3.918 50 10 JHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=C(C)c1ccc(OC)cc1OC 1084597725 DCDIMIQUQGEKHS-UHFFFAOYSA-N 479.606 3.899 50 10 JHGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNc2nc3ccc(Cl)cc3s2)cc1 1465259154 NLBRZTJNHXBHNO-UHFFFAOYSA-N 451.961 3.905 50 10 JHGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccnc2)CCC3)cc1 1772746193 SHJRCWSNEZKHEX-UHFFFAOYSA-N 460.490 3.882 50 10 JHGE CC(C)Oc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860771024 GXEIMKWXSDIGKP-IEPXPHTDSA-N 494.617 3.792 50 10 JHGE COc1ccccc1-c1ccc(C(=O)NNC(=O)c2ccc(I)cc2)c(C)n1 1865760132 IKCQIBHBOWHCCU-UHFFFAOYSA-N 487.297 3.745 50 10 JHGE CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc(Br)c1O 1873795330 YEUZINVZYRGYGJ-URMYYVDKSA-N 472.380 3.943 50 10 JHGE O=C(N[C@H](C[S@](=O)C[C@@H]1C[C@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877472513 HHDGURMDMYIUHK-RWJXOOHUSA-N 492.391 3.510 50 10 JHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1978677852 QILJSQOZKBNAIW-URXFXBBRSA-N 493.000 3.860 50 10 JHGE N#CCc1c(I)ccc(I)c1CBr 2060168078 DQCSSGXIDALMFX-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC[C@@H](Br)C1 2107487983 VVSHOXLDNNPQEA-JKSUJKDBSA-N 485.444 3.572 50 10 JHGE 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C[C@@H](C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771330 QTWOZVMAASQUIG-NEPJUHHUSA-N 478.496 3.624 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCl)CC1CCCCC1 1926785821 JRPQWQHMYYZAGU-QGZVFWFLSA-N 455.020 3.806 50 10 JHGE C[C@H]1C(CO)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]12 2037697997 SCQPUKSHDQWJMQ-KQEPKPNTSA-N 490.629 3.771 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)c2csc(Br)c2Br)CCO1 2053845007 KUGRYISUWOJRRF-XPUUQOCRSA-N 462.001 3.898 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 2121383905 IMBCXWRBJAVVPP-KLWJRCHCSA-N 471.560 3.581 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NS(=O)(=O)c1ccc(CBr)cc1 2162592292 SNICGENMKUKGTL-KBPBESRZSA-N 461.422 3.751 50 10 JHGE CCCC(CBr)(CCC)CN1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 2163058693 MZUKPAKAGWCWNZ-FQEVSTJZSA-N 451.446 3.556 50 10 JHGE Cc1c(CBr)cccc1NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2268335907 QDFOLZYXHCAODS-HXUWFJFHSA-N 483.359 3.656 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@@H](Br)[C@H]2COC[C@H]21 2308665769 WDHRFKIZGXMKDL-LPBLVHEISA-N 459.985 3.507 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CC[C@@H](Br)C1(C)C 2338670256 OCNWQVYVUOVSFP-RQJHMYQMSA-N 457.992 3.627 50 10 JHGE CN(Cc1c(Br)c(Br)nn1C)CC1(CBr)CC(F)C1 2338945972 ZPFIHDNIUNRMCV-UHFFFAOYSA-N 461.999 3.890 50 10 JHGE ClCCCN1CCN(Cc2ccc(I)c(Br)c2)CC1 2349824221 KBXKGIVKPWMHGA-UHFFFAOYSA-N 457.581 3.800 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@]2(CCC[C@@H]2Br)C1 2364217942 WVCDBJSUNOXHOY-SIKLNZKXSA-N 497.455 3.812 50 10 JHGE CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)ccc(Cl)c3s2)cc1 9447464 GYVUJTJOOYQRDM-UHFFFAOYSA-N 468.988 3.746 50 10 JHGE Cc1cc(-c2cc(C(=O)NNC(=O)c3cc(Br)cn3C)c3c(C)noc3n2)c(C)o1 10465297 PRNCMRFDXQRRMG-UHFFFAOYSA-N 472.299 3.584 50 10 JHGE COc1cc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccccc4)c(C)sc3[nH]2)ccc1O 19645998 YDUQHUQIHFZGDV-BHGWPJFGSA-N 480.571 3.917 50 10 JHGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c1 33728079 AKWXOTWKGBPKJQ-QRRJMBGHSA-N 458.518 3.614 50 10 JHGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658446 XBCCFOVBHUGGJE-UHFFFAOYSA-N 486.448 3.783 50 10 JHGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)c2C)cc1 110231028 BFNCULMWGQHWPB-ZPWPBLDLSA-N 474.536 3.609 50 10 JHGE C/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1cc(O)ccc1O 253578656 YPPJHBJJPJZDMY-DJKKODMXSA-N 458.106 3.542 50 10 JHGE CCOC(=O)[C@H](Br)Cc1ccc(Br)c(I)c1 300890939 DRTGFFWLUXPGGE-SECBINFHSA-N 461.919 3.923 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2cc(Br)sc2Br)C1 386517628 NDOGAESQTFVGGR-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE CC(=O)[C@@H](Br)Cc1cc(I)cc(I)c1 690361913 BNSOKICYKTUUNG-JTQLQIEISA-N 478.893 3.791 50 10 JHGE CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)NNC(=O)c1cccc2cccnc12 727843581 FDIVVTNRHNCQJV-UHFFFAOYSA-N 489.557 3.522 50 10 JHGE C[C@H](NC(=O)COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 761414037 CPYDHIYYHDERSL-ABHRCOEPSA-N 471.561 3.855 50 10 JHGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C)cc1 1084030597 IYTDDFWPGFRIOI-UHFFFAOYSA-N 461.893 3.974 50 10 JHGE CN(C)c1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1 1084097601 RRRHLGZWVIWXBY-UHFFFAOYSA-N 455.150 3.807 50 10 JHGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084293934 KWLVETQCXROVGS-UHFFFAOYSA-N 485.993 3.732 50 10 JHGE C/C(=C/C(=O)NNC(=O)COc1ccccc1Br)c1ccccc1OC(F)F 1558131460 WJZCYLMVIXTUTO-BENRWUELSA-N 455.255 3.680 50 10 JHGE CC(=O)N[C@H](C(=O)NNc1cc(F)ccc1Br)c1cccc(Br)c1 1638161538 QUWGWYKJXIAHFB-HNNXBMFYSA-N 459.113 3.671 50 10 JHGE C=CCOc1cc(OC)ccc1C(=O)NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 1641058513 LQCSEUPYVFERGM-UHFFFAOYSA-N 457.486 3.639 50 10 JHGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)c(Br)c1 1772755979 WRERXNKNGWQYKI-UHFFFAOYSA-N 450.289 3.935 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCC4CCCCC4)c(=O)c23)cc1 1860770640 QMARLXQYKQTRTP-UHFFFAOYSA-N 452.580 3.941 50 10 JHGE CCCOc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771113 KFKAINTYJKCHCU-MVIRQZGPSA-N 494.617 3.793 50 10 JHGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711960 MDFZODBHRBWNEE-JOCHJYFZSA-N 464.497 3.877 50 10 JHGE CCCC[C@@H](NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1867220354 PFFVKFVRFMMUPG-JOCHJYFZSA-N 495.649 3.947 50 10 JHGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)C1 1877586693 BPKWJAOGSLNCGH-MWDZTHCESA-N 451.427 3.868 50 10 JHGE O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1C[C@H](Br)[C@@H](Br)C1 1884979725 FYOGMQKMQPNGGM-WDSKDSINSA-N 455.958 3.664 50 10 JHGE C[C@H](CCBr)N(Cc1ccccc1)c1ncnc(O)c1I 1915069802 OKAKYWWGXYYRIC-LLVKDONJSA-N 462.129 3.967 50 10 JHGE O=C(NC[C@H]1C[C@@H](Cl)CCO1)c1ccc(Br)cc1I 2142283528 QXMQUYUKGGTPJJ-VHSXEESVSA-N 458.521 3.570 50 10 JHGE C[C@@H](Cl)[C@H]1CN(C(=O)c2ccc(Br)cc2I)CCO1 2142288208 JARSATTXICQBFN-PRHODGIISA-N 458.521 3.522 50 10 JHGE O=S(=O)(N[C@@H](CBr)c1cscn1)c1ccc(Br)cc1Cl 2175671847 ZFACARWYKNMSNC-VIFPVBQESA-N 460.600 3.974 50 10 JHGE O=S(=O)(c1cc(CBr)ccc1F)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187749546 YQPOYSCDGBDKPT-ROUUACIJSA-N 453.377 3.616 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)c1CBr 2188880688 AVYKYNFGWNWWIY-HKUYNNGSSA-N 453.402 3.686 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1CBr 2188880690 AVYKYNFGWNWWIY-MJGOQNOKSA-N 453.402 3.686 50 10 JHGE CC1(C)CO[C@@H](CCl)CN1C(=O)c1ccc(Br)cc1I 2207272121 MSTBQIFFEFONAL-JTQLQIEISA-N 472.548 3.912 50 10 JHGE CC(C)(C)OC(=O)N[C@H](CBr)[C@H]1[C@H]2COC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2241735867 WILUIWXMMSWZPE-JKJDWNRSSA-N 463.413 3.841 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@H](Br)[C@H](Br)C1 2248236754 HWOUPGOPJORLBX-OCAPTIKFSA-N 493.364 3.927 50 10 JHGE Cc1cc(C=C(C#N)C(=O)OCC(=O)NC(=O)NC2CCCCC2)c(C)n1-c1ccccc1F 2297486633 RVFZEQNEBUPCCG-UHFFFAOYSA-N 466.513 3.842 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3sc(Cl)cc3I)[C@@H]2C1 2300957362 MZCYXQRSDBOBPK-NFNBNWGISA-N 467.575 3.733 50 10 JHGE CC[C@H](C[C@@H](C)Br)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823242 ZBZGQDJELKDIHG-HZPDHXFCSA-N 473.433 3.715 50 10 JHGE CC1(C)C[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H](Cl)C1 2364212859 AZCVXOXSDPUYSC-DLBZAZTESA-N 455.020 3.949 50 10 JHGE O=C(CN1CCOCC1)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12 59247194 FQNFTOGZXXCONG-CVKSISIWSA-N 482.378 3.964 50 10 JHGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 102857999 BEOSDPJWSGAXSD-GFCAVMEOSA-N 490.585 3.538 50 10 JHGE COc1cc(C(C)=NNC(=O)C(=O)Nc2ccccc2F)ccc1OC(=O)c1cccs1 254791361 IPDXGVKAQAKJTA-UHFFFAOYSA-N 455.467 3.594 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCS[C@H](CCCl)C1 720002718 HMMIIKVVCAPCFS-SNVBAGLBSA-N 463.644 3.947 50 10 JHGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 746182388 NHCZHPKCLSXQDC-UHFFFAOYSA-N 458.536 3.946 50 10 JHGE C[C@H]1CCC(C(=O)Nc2ccc(Cl)cc2)=C2NC=C(C(=O)NN=Cc3ccc(Cl)cc3)C(=O)N21 1088659770 YSVMUXQWSSKDNC-AWEZNQCLSA-N 498.370 3.792 50 10 JHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc(-c3cccnc3)on2)cc1 1867165290 VKAZJCIDDMJJIV-OAQYLSRUSA-N 485.525 3.995 50 10 JHGE O=S(=O)(CCCOCc1ccccc1)N[C@H](CCBr)COCc1ccccc1 1892248839 KHCDHIZGFOIUTL-OAQYLSRUSA-N 470.429 3.883 50 10 JHGE C[C@H](Br)[C@@H]1C[C@H]1NC(=O)c1cc(Br)ccc1I 1908470964 XZLUPKIEYFJDNE-GEOGLEFRSA-N 472.946 3.955 50 10 JHGE CCS(=O)(=O)CC(CBr)(CBr)c1cccc(Br)c1 2045274625 ZKQGRTJCXNEBTH-UHFFFAOYSA-N 463.029 3.911 50 10 JHGE O=C(CBr)c1c(I)ccc(S)c1I 2060149653 IZVBVCSLBKPBIU-UHFFFAOYSA-N 482.906 3.762 50 10 JHGE O=C(NCCOCCCBr)c1ccc(Br)cc1I 2086147269 LJDINYZRVVUBGV-UHFFFAOYSA-N 490.961 3.585 50 10 JHGE O=C1COc2ccc([C@H](Br)c3cc(I)sn3)cc2N1 2120033952 VTSSRNSWZDDONO-LBPRGKRZSA-N 451.083 3.563 50 10 JHGE FC(F)(F)c1cnc(N2CCOC[C@H](CBr)C2)c(I)c1 2154466669 SVOBNVAHNGTQCH-MRVPVSSYSA-N 465.051 3.553 50 10 JHGE O=S(=O)(Nc1ccc(Br)c(Cl)c1F)N1CCC(Br)CC1 2162204866 RDZBTTFZDVECOU-UHFFFAOYSA-N 450.555 3.758 50 10 JHGE CON(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(CBr)cc1 2172465127 VGLSHKIAWWOZMX-UHFFFAOYSA-N 463.394 3.533 50 10 JHGE C=CC[C@]1(CBr)CCCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2272232723 UTWNTMQIUPBEST-OAQYLSRUSA-N 483.428 3.588 50 10 JHGE CC(C)(CBr)CS(=O)(=O)N1C[C@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2290076536 GCFWGONEJNJPCL-NHCUHLMSSA-N 455.462 3.725 50 10 JHGE COc1ccc(OC)c(N2C(=O)C(=Cc3ccc4c(c3)CCN4CCCCl)C(=O)NC2=S)c1 2296576800 FBYVRHIIGAYKFD-UHFFFAOYSA-N 485.993 3.527 50 10 JHGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(C)=C(C#N)C1=O 2314619567 BNMHBTWDXRSPPB-UHFFFAOYSA-N 484.487 3.834 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCCC(C)(C)[C@@H]1CBr 2364029708 SGVBNXRELJXGJQ-QMMMGPOBSA-N 472.019 3.971 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1C[C@H](Cl)C12CCC2 2364205908 OGJGCWMYBMCHEC-APWZRJJASA-N 453.004 3.560 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC(=O)c1ccco1 3014111 JIVJOJOVWZSFLJ-FQEVSTJZSA-N 456.410 3.832 50 10 JHGE CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 10291483 KTLDMBIFKUYRCG-GFCCVEGCSA-N 468.291 3.552 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 12482853 BMKXQNVHDAQNCL-UBKPWBPPSA-N 461.066 3.550 50 10 JHGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 14002268 PHWDBAYREVPQAK-UHFFFAOYSA-N 453.951 3.650 50 10 JHGE CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1 33389441 YERYFJWUOUYCCD-KOXKPCSVSA-N 456.365 3.930 50 10 JHGE C=CCOc1c(I)cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc1OC 58887408 DKHUGBALZAOODK-TTXZLZEXSA-N 494.329 3.829 50 10 JHGE Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc(/C=C(/C#N)C(=O)Nc3cccc4ccccc34)cc12 62589986 PGSMKOHLTWJLDS-DEWISIQVSA-N 471.542 3.798 50 10 JHGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1CCN(c2ccccc2F)CC1 217254296 OKNHTKMATMDFIQ-PEZBUJJGSA-N 490.320 3.907 50 10 JHGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(O)c3)nnc2-c2ccccc2)cc1 254493663 RKMNJLFCUWFWDX-UHFFFAOYSA-N 459.531 3.896 50 10 JHGE COC1(CCl)CCN(C(=O)c2ccc(I)c(Br)c2)CC1 721601782 GZNIFFZIPNSVKR-UHFFFAOYSA-N 472.548 3.914 50 10 JHGE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)cc1 725417328 OUPOKWJGCPUAFP-HKUYNNGSSA-N 452.370 3.837 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc(CSC)cc2)cc1 727411549 HIMWCHOTOQWVBL-UYRXBGFRSA-N 475.574 3.843 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)cc(OC)c2OC)cc1 1084229195 UOUSWVNWGWHGJF-SFHVURJKSA-N 465.344 3.829 50 10 JHGE CC(C)SCc1ccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)o1 1865852457 XJOOFVKZUPPUKX-UHFFFAOYSA-N 482.587 3.821 50 10 JHGE CC1(C[S@@](C)(=O)=NC(=O)[C@H](Br)C2CCCC2)CN(C(=O)OC(C)(C)C)C1 1877873378 VBZFYTFYULODFD-IYJVBRSBSA-N 451.427 3.822 50 10 JHGE CO[C@H]1[C@@H](Oc2cc(Br)cc(I)c2)C[C@H]1Br 1901051269 HKXQJUXZZYGFPC-OUAUKWLOSA-N 461.919 3.983 50 10 JHGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1915101920 ZNEBUDWXBWUCLM-QGZVFWFLSA-N 493.423 3.678 50 10 JHGE Cn1ncc(Br)c1S(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915186326 KHATVBQOOSDKMT-OAHLLOKOSA-N 477.222 3.547 50 10 JHGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1scc(Br)c1Br 2039818943 NBKDUFCRFRORCV-RNFRBKRXSA-N 462.001 3.803 50 10 JHGE COC(=O)Cc1cc(CBr)c(OC(F)(F)F)cc1I 2055376426 HOHCMELYXSNRRZ-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE C[C@@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCBr 2089708434 ZMUNQXLSJBZBNK-VQIMIIECSA-N 485.444 3.668 50 10 JHGE O=S(=O)(c1csc(CBr)c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2123243335 IJOSCZXVSRUQSH-SJORKVTESA-N 455.443 3.786 50 10 JHGE COCCN1C[C@@H](Br)[C@@H](Cc2ccc(I)c(Cl)c2)C1 2142938199 XBCKQCCCNAOLMI-NWDGAFQWSA-N 458.565 3.829 50 10 JHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCCl)C1CCCCC1 2164494486 VVHXUHBAGNOQNJ-RXVVDRJESA-N 458.983 3.508 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CC(CNS(=O)(=O)c3ccc(CBr)cc3)C2)C1 2177552736 VEYFYINSXCCPKC-UHFFFAOYSA-N 459.406 3.507 50 10 JHGE C[C@H]1CN(S(=O)(=O)c2ccc(CCBr)cc2)[C@@H](C)CN1Cc1ccccc1 2179788540 DEKUHIWWEFVVGP-ROUUACIJSA-N 451.430 3.908 50 10 JHGE O=C(c1cc(I)ccc1O)N1[C@H](CBr)CCC12CCC2 2205772628 JXRUDOWBVNAQII-NSHDSACASA-N 450.114 3.919 50 10 JHGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2)c(OC)c1 2293198057 BFNNXGOBWNRYMO-UHFFFAOYSA-N 471.307 3.651 50 10 JHGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(O)c([N+](=O)[O-])c2)cc1 2297498207 QWTKWHLFZLKQBI-UHFFFAOYSA-N 479.230 3.849 50 10 JHGE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1[C@H]1CCC[C@@H](CI)O1 2307437273 QPRIAWXWXJHSLZ-ZNMIVQPWSA-N 451.345 3.775 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(C)(C)C)CN(CCOCCI)C1 2326643941 XSTBPPMUSXRONW-HOTGVXAUSA-N 468.420 3.947 50 10 JHGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281420 VMMPZKARJGSJHA-UHFFFAOYSA-N 477.414 3.715 50 10 JHGE C[C@@H]1CCCN(C(=O)c2c(Br)c(Br)nn2C)[C@@H]1CBr 2338672494 GARHIXBXMFHIKW-HTQZYQBOSA-N 457.992 3.581 50 10 JHGE C[C@@H](Br)CC(C)(C)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338833672 PAVUTFIWBHBZTR-MRXNPFEDSA-N 487.460 3.962 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@]1(C)CBr 2338844342 ZWEXMPWGJCLPOU-IERDGZPVSA-N 485.444 3.526 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Cl)CCC12CCC2 2364215973 XSKXLDTZPKQZKU-QGZVFWFLSA-N 453.004 3.799 50 10 JHGE Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 832959 ZSLDBYDRXFTYPD-OPEKNORGSA-N 461.869 3.732 50 10 JHGE CCOc1cc([N+](=O)[O-])cc(C=NNC(=O)COc2c(C)cc(Br)cc2C)c1O 3150241 PEROORVBMMWETI-UHFFFAOYSA-N 466.288 3.608 50 10 JHGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 14031029 UUMJXRYHIAPYFM-UHFFFAOYSA-N 486.160 3.840 50 10 JHGE COc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1I 20258391 QSXOSZPYKVOTKL-GIJQJNRQSA-N 459.081 3.826 50 10 JHGE Cc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3ccc(Br)cc3)s2)cc1 28536238 NCKHQYATHQLUBW-UHFFFAOYSA-N 458.341 3.554 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40647306 PDIVXQZKUOFCBX-UHFFFAOYSA-N 464.667 3.696 50 10 JHGE Nn1c(SCCCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1ccc(Br)cc1 58988881 VOZWYVORAUHXKK-DHRITJCHSA-N 498.410 3.925 50 10 JHGE N#C/C(=C(/O)[C@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1)c1nc(=O)c2ccccc2s1 101017926 MKGCDRKRORXHDE-URTGMZOISA-N 451.891 3.934 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594762 TWJVAZHWTRNUQM-OVVQPSECSA-N 482.899 3.926 50 10 JHGE COc1ccc(N/C=C2/C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)cc1OC 103519693 IMWPCVJHSITACX-RCCKNPSSSA-N 456.502 3.932 50 10 JHGE CCCCOc1c(OC)cc(/C=N\NC(=O)Cc2ccc3nc(N)sc3c2)cc1[N+](=O)[O-] 169917134 WJNTUALEBULCIK-FMCGGJTJSA-N 457.512 3.667 50 10 JHGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc1OCC 207127614 ILEJLHCSBMIMOA-UUGKNAQTSA-N 464.518 3.772 50 10 JHGE CCOC(=O)c1sc(NC(=O)NN=Cc2ccc(Br)o2)c(C(=O)OCC)c1C 256017676 ZWNYXUOZNYIEJB-UHFFFAOYSA-N 472.317 3.921 50 10 JHGE COCC[C@@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 379669167 CSVGEQNCLOLQME-VIFPVBQESA-N 494.043 3.598 50 10 JHGE CC(=NNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(F)cc1 725394453 JOLHSHMJUAGAHG-UHFFFAOYSA-N 455.511 3.924 50 10 JHGE COc1cc(C(=O)NNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc(OC)c1OC 859247786 ALXMJJGXFGRHTO-ODLFYWEKSA-N 492.507 3.627 50 10 JHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743654 IBOQDVUIBSLBNV-UHFFFAOYSA-N 478.936 3.716 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772751042 UDZJGQQDJJLGBK-UHFFFAOYSA-N 465.441 3.863 50 10 JHGE CCOC(=O)c1cc(OC(F)(F)F)c(I)nc1CBr 1848387523 BNLOUIZNLAHDCF-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE ClCc1nnnn1-c1cc(Br)c(I)c(Br)c1 1938595258 ZYNYEIQHGPRAQL-UHFFFAOYSA-N 478.313 3.531 50 10 JHGE COC[C@@H](Br)CN(C)C(=O)c1ccc(Br)cc1I 2086148060 WEATZNCMGPBQSC-VIFPVBQESA-N 490.961 3.536 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCCC[C@@H]1CCBr 2090572615 OUZLCXSQZODZKS-APWZRJJASA-N 485.444 3.716 50 10 JHGE CCOC1(CBr)CN(C(=O)c2cccc(Br)c2Br)C1 2116383499 MGKTVCRMJXMGHV-UHFFFAOYSA-N 455.972 3.838 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2C[C@@H]2CBr)cc1Br 2117657819 QSSRWJZRTOMRCV-BDAKNGLRSA-N 476.028 3.829 50 10 JHGE FC(F)(F)c1cnc(N2CCOC[C@@H](CBr)C2)c(I)c1 2154466670 SVOBNVAHNGTQCH-QMMMGPOBSA-N 465.051 3.553 50 10 JHGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(CBr)n(C3CC3)c2)C1 2179857554 AVYMKQFKPIPDGW-GOSISDBHSA-N 452.418 3.613 50 10 JHGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)N2CCC[C@H](CCBr)C2)CO1 2179954608 PONRVFLPTQXJOP-MOPGFXCFSA-N 459.450 3.798 50 10 JHGE O=C(C=Cc1ccccc1)NCC(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2296382152 QBLOWDHNSQIPNU-UHFFFAOYSA-N 472.932 3.537 50 10 JHGE CCc1cccc2c1NC(=O)C2=NNC(=O)C(=Cc1cc(OC)ccc1OC)NC(=O)c1ccccc1 2297325983 SPFAZLSWOOMPPG-UHFFFAOYSA-N 498.539 3.510 50 10 JHGE C[C@H]1C[C@@H](Br)CCN(C(=O)c2c(Br)c(Br)nn2C)C1 2338680388 BZXIIUSDLGVUPU-YUMQZZPRSA-N 457.992 3.581 50 10 JHGE O=C(NCC1(CBr)CCOCC1)c1ccc(Cl)cc1I 2365588095 FKFZIGYVVXGFQB-UHFFFAOYSA-N 472.548 3.866 50 10 JHGE COC[C@]1(CBr)C=CCN1C(=O)c1ccc(Cl)cc1I 2379847163 UNTUOQGADGARHU-CQSZACIVSA-N 470.532 3.737 50 10 JHGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1 10670896 BFRSWSQCPWSQSS-GFCCVEGCSA-N 470.378 3.885 50 10 JHGE CCc1ccc(OCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c(Br)c1 13977511 LBGIRVUKUUVJCE-SSDVNMTOSA-N 451.317 3.566 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1 13986791 NGNPQKDMBCLCEY-UHFFFAOYSA-N 462.344 3.726 50 10 JHGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)Cn1ccc2ccccc21 14776567 JOTWWCFJVFNFSI-UHFFFAOYSA-N 452.580 3.936 50 10 JHGE Cc1cc(I)ccc1N[C@@H](C)C(=O)N/N=C/c1cc(Cl)ccc1O 20352586 SPKMGGCFYXNGJZ-QQZXWGPFSA-N 457.699 3.909 50 10 JHGE Cc1cc(I)ccc1N[C@@H](C)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 20352598 HIBBGMJABNFNBG-JVDJPWEPSA-N 458.281 3.520 50 10 JHGE O=S1(=O)C=C[C@H](N(SSN(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c2ccccc2)C1 33935784 TZZPJCHHSTWZQF-PMACEKPBSA-N 480.658 3.832 50 10 JHGE CCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccc(OCC)c(OC)c3)cc2oc1=O 40894336 QOCPFRHSJPBGJE-WOJGMQOQSA-N 476.485 3.853 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OC)cc2Br)cc1 58894202 HDOVLLAKERKPHJ-VLZFXTDASA-N 465.344 3.829 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC#N 58895312 DXYQPPQILWHCCP-NWUVQHAMSA-N 451.523 3.689 50 10 JHGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccn2)cc1I 59157752 DAJYMCMTJVLHPR-DHRITJCHSA-N 482.281 3.901 50 10 JHGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 206433204 GUPYGUDBRADVDB-GVASSZBTSA-N 464.518 3.772 50 10 JHGE CC(C)c1ccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 216983578 IAVCPKRSEDJWLY-SDXDJHTJSA-N 488.997 3.942 50 10 JHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc(C)c3)cc2)cc1 254442134 WQGWQFDXPSEKLN-UHFFFAOYSA-N 473.529 3.883 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccn3)n2-c2ccc(OC)cc2)cc1 254632792 ODYZZGXVAOTQOG-UHFFFAOYSA-N 474.546 3.589 50 10 JHGE O=C(CCBr)c1cc(I)cc(I)c1 306923398 ZYTBWIFNSUCFJU-UHFFFAOYSA-N 464.866 3.864 50 10 JHGE O=C(COc1ccc(F)cc1)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727722041 AUCUZNOZCOWPRF-UHFFFAOYSA-N 464.428 3.885 50 10 JHGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cccc(OS(=O)(=O)c2ccccc2)c1 1084501306 ZJMIEHGQSBIBPN-UHFFFAOYSA-N 466.544 3.573 50 10 JHGE CC(=O)c1ccc(Oc2ccc(C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1 1569520385 QAGUBQUTAKUXBP-UHFFFAOYSA-N 453.520 3.689 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 1666654355 VNZPCJISWVWZBL-ZDUSSCGKSA-N 452.433 3.594 50 10 JHGE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866603099 BOQUQUKRRGBNNY-OAQYLSRUSA-N 488.525 3.796 50 10 JHGE COc1ccc(Br)cc1/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C 1873793668 VTPPJDPIJULXPM-HXJASHHUSA-N 460.394 3.554 50 10 JHGE C[C@@H](CCBr)N(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 1915086211 FRBXHJYNZDIANJ-HNNXBMFYSA-N 474.442 3.674 50 10 JHGE CC1(C)CC[C@@H](Br)[C@@H](CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1927037470 ALDLUDJQGDBAAT-CRAIPNDOSA-N 485.444 3.572 50 10 JHGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OC 2053515092 CFKGQBOAQVYXPE-UHFFFAOYSA-N 479.230 3.762 50 10 JHGE CC1(C)C[C@@H](Br)C[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089699833 BEBVWHLHZKNJEX-HOTGVXAUSA-N 485.444 3.715 50 10 JHGE Brc1ccc(CN2CCN3C[C@@H](Br)C[C@H]3C2)c(Br)c1 2092268738 ZWTHKGVOZKAUMB-STQMWFEESA-N 453.016 3.865 50 10 JHGE O=C(Cc1ccccc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190676829 FZECFEMLCOXZHW-YODMDTAWSA-N 452.105 3.699 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](Cl)C(F)(F)F)cc1Br 2197809350 RHDZCKBLFHTCCY-VIFPVBQESA-N 459.509 3.968 50 10 JHGE CO[C@]1(CCl)CCCN(C(=O)c2ccc(Br)cc2I)C1 2207271465 IMFSTRVRBLVLET-AWEZNQCLSA-N 472.548 3.914 50 10 JHGE COc1cc(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)cc(OC)c1 2256308836 FBVYWWNRLJXQSS-GOSISDBHSA-N 465.328 3.939 50 10 JHGE O=C(NC[C@H]1CC[C@@H](CCl)CO1)c1ccc(Br)cc1I 2279410315 RHJVUBMUWQPMPW-GXSJLCMTSA-N 472.548 3.818 50 10 JHGE CC(C)(CBr)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823352 AKHIQCGJEJDHOT-UHFFFAOYSA-N 473.433 3.574 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CCC(NC(=O)OC(C)(C)C)CC1 2322744133 XSZOCUJZMNMCMQ-UHFFFAOYSA-N 493.692 3.773 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 2327859455 IPWRZTHKCUODDR-KRWDZBQOSA-N 491.720 3.898 50 10 JHGE N#CCC[C@@H]1CCCC/C1=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 8663691 PLAFHPCVSOWMAE-IWZUTMLHSA-N 483.550 3.756 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)N/N=C2/C(=O)Nc3cc(Br)c(C)cc32)cc1 13986464 FRSMQHMIJZSJOE-UHFFFAOYSA-N 457.328 3.972 50 10 JHGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 38650143 KSWFHSJAPUIWJZ-RUZDIDTESA-N 458.470 3.906 50 10 JHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 38659803 SBCUZOGAUJUJLY-AREMUKBSSA-N 488.496 3.915 50 10 JHGE COc1ccc(COC(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1 59147586 AGCSCQRFOKYCEQ-SSDVNMTOSA-N 468.426 3.574 50 10 JHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)cc1 101598934 OGXGWYYWUOKUED-ZXVVBBHZSA-N 494.935 3.795 50 10 JHGE COC[C@H](Br)CCNS(=O)(=O)c1cc(Br)c(C)cc1Br 230143553 MLGMSICAFANSAE-SECBINFHSA-N 494.043 3.598 50 10 JHGE COc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 254516383 FCJXKDPYJXQCOR-UHFFFAOYSA-N 464.474 3.704 50 10 JHGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(OC)c2OC)nnc1-c1ccc(C)cc1 263632016 HOPFNAVDYBTSOC-UHFFFAOYSA-N 469.567 3.542 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c(-c2ccc(Cl)cc2)n1 743720642 GVUJIPBABOBTQQ-INJUALFYSA-N 498.974 3.941 50 10 JHGE CCn1c(NNC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)nc2ccccc2c1=O 1087485832 ZJPPFJKQMAXRDN-CCEZHUSRSA-N 477.528 3.821 50 10 JHGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc1 1153244398 QXMJCSXVMTZECF-UHFFFAOYSA-N 454.527 3.699 50 10 JHGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1 1295894148 ZXYUGZBJJKESOU-UHFFFAOYSA-N 456.506 3.519 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)c1 1637299367 WCPNNPMFVCNPCL-SXLOBPIMSA-N 456.612 3.944 50 10 JHGE CC(C)(CI)CN=[S@](C)(=O)[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 1904650855 KLPBAPDGAIWOHW-NSCUQIJASA-N 458.406 3.849 50 10 JHGE CCCN1CC[C@@H]([C@H](Br)c2ccc(I)cc2)S1(=O)=O 2089534458 GAQNNRAVRJACKX-QWHCGFSZSA-N 458.159 3.541 50 10 JHGE COCCN1C[C@@H](Br)[C@@H](Cc2cc(Cl)ccc2I)C1 2100738516 QCGZGINJHPCRQY-WCQYABFASA-N 458.565 3.829 50 10 JHGE CC1(C)CC(CBr)(CNC(=O)c2ccc(I)c(O)c2)C1 2158302632 KYGKXQPMSHXRDV-UHFFFAOYSA-N 452.130 3.928 50 10 JHGE C[C@@H](Br)CN1CCN(C(=O)c2cc(Br)ccc2Br)CC1 2170214982 ADUBIWOGVZRJQV-SNVBAGLBSA-N 469.015 3.753 50 10 JHGE C[C@H](CO[C@@H](CI)c1ccc(Br)cc1)N1CCOCC1 2186733694 QEHANFWPOWANQL-DOMZBBRYSA-N 454.146 3.663 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCCC[C@]2(CBr)C1 2238803657 VYMZJBMQFYKPRV-ZHRRBRCNSA-N 497.455 3.526 50 10 JHGE N#CC(=CNc1ccc(C(N)=O)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2296798328 BMAGGBLPPBPHHP-UHFFFAOYSA-N 459.443 3.900 50 10 JHGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)c(Cl)cc1C 2317672004 SDYQHOHYSTYWPI-HSZRJFAPSA-N 492.768 3.584 50 10 JHGE O=C(Cc1cc(Br)cc(Br)c1)N1C[C@H]2C[C@@H]1[C@H]2CBr 2335066664 ATPRDDOQLQUZKW-JIMOISOXSA-N 451.984 3.996 50 10 JHGE CC1(C)CC(CBr)(CNS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364213821 IZGJMGSPLGYWHP-UHFFFAOYSA-N 499.471 3.964 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cc(CCl)ccc1C(F)(F)F 2370268888 CTVQDQRGVDBKEF-UHFFFAOYSA-N 460.861 3.872 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)/C=C/c1ccc(F)cc1 13977231 BKIXZWGYILTRAR-VCFDLTMXSA-N 456.326 3.635 50 10 JHGE COc1cc(/C=N\NC(=O)c2cc(C)oc2C)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 33417330 ODPIBGVSPGBFIO-FMCGGJTJSA-N 487.490 3.653 50 10 JHGE C=CCn1nc(C)c(/C=N/NC(=O)CSc2nnc(CNc3ccc(C)cc3)n2CC=C)c1C 59829806 SDSHFUUWPAGXNR-VULFUBBASA-N 478.626 3.626 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H](CCl)O1 235367269 LPEZXUQFCDBKET-SCZZXKLOSA-N 458.521 3.522 50 10 JHGE C[C@@H](Br)CN(C)C(=O)c1ccc(I)c(Br)c1 721578212 NLZPJKZKWCNZSC-SSDOTTSWSA-N 460.935 3.909 50 10 JHGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)NCc2ccc(Cl)cc2)c(-c2ccccc2)n1 761409129 BMZMLTRMIOZBQU-MOSHPQCFSA-N 473.920 3.884 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(Br)cc1 1251588451 DMNMUEZYROZBDQ-UHFFFAOYSA-N 471.464 3.634 50 10 JHGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)OCCOc1ccccc1 1858689723 WMWNXEJIBKNTNT-UHFFFAOYSA-N 471.397 3.741 50 10 JHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865708519 AMEXZDZQZMLNGI-QFIPXVFZSA-N 479.496 3.948 50 10 JHGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2sc(Cc3ccccc3)nc2C)CC1=O 1865844844 AECYAKXGYIXQCX-NRFANRHFSA-N 490.629 3.981 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1ccc(Br)cc1Br 2083334008 QESBDPQNYDERTA-LLHIFLOGSA-N 458.997 3.938 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](CBr)[C@@H](F)C1 2120595764 CHUJUIDXMFLFRZ-XVKPBYJWSA-N 479.991 3.565 50 10 JHGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2123225255 MXRUZOCSFRGKAB-CALCHBBNSA-N 455.443 3.989 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)CC(F)(F)C(F)(F)F)C1 2145885894 QXGYLBXSEUNUMK-ZETCQYMHSA-N 452.077 3.785 50 10 JHGE O=S(=O)(NC[C@@H](CBr)C(F)(F)F)c1ccc(Cl)c(Br)c1 2161576920 ZGWXYUYAOSMFNE-ZCFIWIBFSA-N 459.509 3.954 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@@H]2C[C@H](Cl)C[C@@H]21 2185306545 IRFVLEPRIMAGLO-JIMOISOXSA-N 470.532 3.665 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CC[C@]2(C[C@H](Br)CO2)C1 2201762464 HFAWLIHNVQWQPF-XPTSAGLGSA-N 470.532 3.713 50 10 JHGE C[C@@](CI)(OCC1COCCOC1)c1ccccc1Br 2203700071 AZHMAJQDVIRRQJ-HNNXBMFYSA-N 455.130 3.779 50 10 JHGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Cl)c1ccc(I)c(Br)c1 2206470770 JSTLOYRGECZNLU-VXGBXAGGSA-N 470.532 3.712 50 10 JHGE CC[C@]1(CBr)COCCN1C(=O)c1ccc(I)c(C)c1 2207108728 PNYUGJWXJLXNNZ-HNNXBMFYSA-N 452.130 3.616 50 10 JHGE Clc1cc(CN2C[C@H]3COC[C@]3(CBr)C2)ccc1I 2226177476 XMLWRMWJNZJITG-FZMZJTMJSA-N 456.549 3.788 50 10 JHGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2256638712 COSMVNSYZZUNDZ-XMMPIXPASA-N 492.768 3.522 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C[C@H]2CCCC[C@@H]21 2279524644 OOCWTLZVWVACMU-MDZRGWNJSA-N 453.004 3.511 50 10 JHGE Cc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(N2CCOCC2)cc1 2313624478 VMOSIXNFNRBIIP-UHFFFAOYSA-N 484.556 3.883 50 10 JHGE COc1ccc(C=CC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1OC 2313625005 PIFGMXZSVCSWTH-UHFFFAOYSA-N 477.355 3.829 50 10 JHGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccccc2F)C(=O)N1c1ccc(OCC)cc1 2314592765 BGJGXFGJKKSIBI-OAQYLSRUSA-N 451.523 3.953 50 10 JHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C)cc1C 2314795619 ALODBRPBFUTIBJ-UHFFFAOYSA-N 478.545 3.842 50 10 JHGE CCOc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccc(C)cc1 2328792449 CDEQXUMPMKLNON-UHFFFAOYSA-N 486.528 3.539 50 10 JHGE N#CC(=Cc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2329638808 VBGNNPZWZDYHDX-UHFFFAOYSA-N 457.874 3.616 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCCCC[C@H]1Br 2338860028 IVHMOEKFPAICIR-HTQZYQBOSA-N 457.992 3.771 50 10 JHGE Cn1cc(I)c(CN2C[C@@H](CBr)C[C@H](C(C)(C)C)C2)n1 2367588011 VQEVQDFOESIYHR-NEPJUHHUSA-N 454.194 3.904 50 10 JHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)ccc1Br 12573665 WAXAPAUNSPMZOW-UHFFFAOYSA-N 486.391 3.554 50 10 JHGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1 12582006 NISQREPAZRONNE-UHFFFAOYSA-N 462.127 3.670 50 10 JHGE CCc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14039940 ADKIQTXGLYTPER-LBPRGKRZSA-N 455.736 3.659 50 10 JHGE O=C(N/N=C1\C(=O)Nc2ccc(F)cc21)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 38159809 PEKSPRJFYUVARJ-HSNUIXJGSA-N 454.461 3.625 50 10 JHGE O=C(NNC(=S)NC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 48547638 VZRFPZPTJIHGTH-UHFFFAOYSA-N 474.936 3.761 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C)cc(C)c3)cc2)cc1 59159252 RBLQOJXPLGRLEI-MFKUBSTISA-N 452.532 3.909 50 10 JHGE COc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1S(=O)(=O)N(C)Cc1ccccc1 110962634 FGIHQRCLYMQQIY-UHFFFAOYSA-N 479.480 3.690 50 10 JHGE COCCOCCOCCO[C@@H](CI)c1cccc(Br)c1 162595600 SJOMMKRPGCBJSK-HNNXBMFYSA-N 473.145 3.621 50 10 JHGE O=C(N[C@@H](CBr)CC(F)(F)F)c1ccc(F)cc1I 717748599 GTABOYOHPYNSAD-SSDOTTSWSA-N 453.999 3.876 50 10 JHGE COC[C@@H](Br)CN(C)C(=O)c1ccc(I)c(Br)c1 721624328 VSWBDKHVOKHWPD-VIFPVBQESA-N 490.961 3.536 50 10 JHGE C#CCOc1cc(Br)c(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 725403609 CTOJPBKUAIATLQ-LJQANCHMSA-N 459.340 3.824 50 10 JHGE C=CCOc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 915850643 KLARBWLUPUJPTA-SILNSSARSA-N 451.548 3.972 50 10 JHGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(Cc4ccccc4F)c4ccccc43)c2cc1C 1084511091 XIMUTUFWPOWFOT-UHFFFAOYSA-N 455.493 3.860 50 10 JHGE CC(=NNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)C1=S=CC=C1 1084551730 ZEDQJGYAHIVJKB-UHFFFAOYSA-N 461.996 3.690 50 10 JHGE Cc1c(C(=O)NCc2ccco2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746222 CZSXMZMGWOIDFF-UHFFFAOYSA-N 471.311 3.739 50 10 JHGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C(C#N)=C(N)O2 1865698412 SPRXONIPAPSKRC-FQEVSTJZSA-N 465.307 3.933 50 10 JHGE Cc1nc(I)c(I)n1-c1ncnc(Cl)c1CCl 1941553580 QYDUDXRIRZCOBM-UHFFFAOYSA-N 494.889 3.572 50 10 JHGE CN(C[C@H]1C[C@H]1Br)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1991457715 KTKFBTUESMLVLZ-RTBURBONSA-N 480.447 3.788 50 10 JHGE C[C@H]([C@H](Br)c1cc(Br)ccc1Br)S(=O)(=O)N(C)C 2029076316 YHIUGGRBRLUABI-HQJQHLMTSA-N 464.017 3.928 50 10 JHGE O=C(OCc1ccccc1)N1CCC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2044257397 MJBIMUFNXQKSCX-SFHVURJKSA-N 467.385 3.661 50 10 JHGE CC(C)Oc1ccc(NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1 2080463196 DELJKDFYRAMIMH-UHFFFAOYSA-N 471.521 3.642 50 10 JHGE C[C@H](NC(=O)OC(C)(C)C)c1cccc(NS(=O)(=O)N2CCC(Br)CC2)c1 2162602737 PZTVSUZJCDIPFT-ZDUSSCGKSA-N 462.410 3.788 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)CN1S(=O)(=O)c1ccc(CBr)cc1 2163052887 IJHYHQKKQVUAFE-CABCVRRESA-N 461.422 3.848 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2163292750 UOZLQUUZWXVREP-RQJHMYQMSA-N 457.131 3.705 50 10 JHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)cc(B(O)O)c1 2268642511 FPWGYFBWGSHYNR-HFJWLAOPSA-N 486.377 3.567 50 10 JHGE Cc1nn(C)c(C(=O)N[C@@H](CCBr)COCc2ccccc2)c1Br 2303546429 DBBBXOUZWFUWAL-AWEZNQCLSA-N 459.182 3.591 50 10 JHGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2313624985 NUPDDKQNXNGVEC-GFCCVEGCSA-N 468.362 3.505 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 2314734896 JYQKEHTUEMRWRQ-UHFFFAOYSA-N 477.546 3.839 50 10 JHGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1 2314789755 ZPRHYHJIVRIPQV-UHFFFAOYSA-N 452.507 3.684 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CCN(CCOCCI)c2ccccc21 2326639769 YLAGOPUBINSKRS-HNNXBMFYSA-N 460.356 3.957 50 10 JHGE CC(C)(C)OC(=O)NCC[C@@H]1CN(CCOCCI)c2ccccc21 2326647096 MJEUCSNGYIAUMJ-OAHLLOKOSA-N 460.356 3.957 50 10 JHGE CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 2633812 AEZVJVWHDQQBPS-XNTDXEJSSA-N 450.480 3.819 50 10 JHGE Cc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 12403545 XXHCDTQNSAMNRR-UHFFFAOYSA-N 478.412 3.770 50 10 JHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)CCc1ccccc1 12501943 DJRRLSLHJHKRHC-UHFFFAOYSA-N 486.391 3.636 50 10 JHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)cc1 13987055 UBDMJRNSVINMEZ-UHFFFAOYSA-N 462.575 3.847 50 10 JHGE COc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14006359 SSDAUFFIFPLOAU-CQSZACIVSA-N 473.323 3.605 50 10 JHGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc21 40530318 ZPVCRGNVPGXBSW-RPWUZVMVSA-N 456.454 3.659 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OC)c([N+](=O)[O-])c2)cc1 58893284 SPMODNWXBGCEBQ-WQFTWXBESA-N 480.315 3.729 50 10 JHGE O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)NNC(=O)C1CCC1 59844788 BIDVVTCOOGCQFO-UHFFFAOYSA-N 486.395 3.736 50 10 JHGE CCOC(=O)c1ccccc1NC(=S)N[C@@H](NC(=O)C(Cl)Cl)C(Cl)(Cl)Cl 101118704 ILGCZURBGZDFDV-GFCCVEGCSA-N 481.616 3.766 50 10 JHGE CCC(CBr)(CBr)NC(=O)c1cccc(I)c1 232863738 LEIIXZGBGPNENO-UHFFFAOYSA-N 474.962 3.960 50 10 JHGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC 254573077 LVDZZACMNZDDRE-IFIDCECPSA-N 487.512 3.744 50 10 JHGE COc1ccc(N(CC(=O)NN=Cc2sccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 725406750 DIAOAPWLFVYTKS-UHFFFAOYSA-N 457.577 3.719 50 10 JHGE COc1ccc(C(=O)NNC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(OC)c1 731362509 FISVNLHDCNGRMJ-UHFFFAOYSA-N 481.380 3.619 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)cc2)cc1 920850919 FQLXKEANFVIXFW-XMHGGMMESA-N 473.533 3.767 50 10 JHGE C=CCc1cccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2CC=C)c1O 1084089889 KQUBESRWWZHVRY-UHFFFAOYSA-N 461.591 3.926 50 10 JHGE CSc1ccc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 1084158507 GETIGXMNBZUOOW-UHFFFAOYSA-N 484.559 3.662 50 10 JHGE COc1c(O)cc(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2C)cc1Br 1084293922 BYXIQJKSAHUZOD-UHFFFAOYSA-N 468.735 3.994 50 10 JHGE COc1ccccc1N(CC(=O)NN=Cc1ccc(SC)cc1)S(=O)(=O)c1ccccc1 1084326890 QFVPGSJIXPWBCT-UHFFFAOYSA-N 469.588 3.763 50 10 JHGE O=C(/C=C/c1ccc(C(F)(F)F)cc1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1087061323 PBIZMIVLALYMKA-XNTDXEJSSA-N 492.461 3.882 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(OC(F)F)c3cccnc23)cc1 1203513931 UUZQYUAVWJBEPX-ZDUSSCGKSA-N 458.421 3.659 50 10 JHGE CCOC(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c(C)c21 1772751477 RUNZJBIFJLMISU-UHFFFAOYSA-N 467.309 3.756 50 10 JHGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)cc1OC 1865756916 DLTXEXMMEBAPSY-VIZOYTHASA-N 461.518 3.947 50 10 JHGE O=C(N[C@H](CC[S@](=O)C[C@H]1C[C@@H]1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893118496 IKWSSANVRHZZSS-QMVQKNLWSA-N 461.967 3.744 50 10 JHGE C[C@H](CBr)CNC(=O)c1ccc(Br)cc1I 1995286263 QWZUZJGYZPOZLE-SSDOTTSWSA-N 460.935 3.815 50 10 JHGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)C(C#N)=Cc3ccc([N+](=O)[O-])o3)c2C)c1 2053514332 JMQYTODNXLKEEF-UHFFFAOYSA-N 477.429 3.958 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCCC[C@@H](Br)C1 2107490568 VQLRQAMBXINBMV-IAGOWNOFSA-N 485.444 3.716 50 10 JHGE CCOC1(CBr)CN(C(=O)c2cc(Br)ccc2Br)C1 2116388439 LSVFEILDTJJDKU-UHFFFAOYSA-N 455.972 3.838 50 10 JHGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)CCC(F)(F)CBr)CC1 2123364090 TWHJZUAUVCOIJN-UHFFFAOYSA-N 453.393 3.581 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCN2C[C@@H](Br)C[C@H]2C1 2148751885 RSPYRMJQGBGOIJ-UWVGGRQHSA-N 466.999 3.505 50 10 JHGE C[C@H](Br)CN1CCN(C(=O)c2cccc(Br)c2Br)CC1 2170212627 BGPHDSFLKNCPQJ-JTQLQIEISA-N 469.015 3.753 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)[C@@H]1CC[C@H](CBr)C1)C2 2179830913 QHBZAUXPVOEVQR-DOIPELPJSA-N 455.462 3.724 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Cl)C[C@@H]2CCCC[C@H]21 2279555167 RPFIUVGVSPDYKG-SQGPQFPESA-N 453.004 3.655 50 10 JHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 2313617044 XCDGHQASNFUHBS-LBPRGKRZSA-N 468.362 3.505 50 10 JHGE Cc1ccc(C=CC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)o1 2313617064 ANOQKPFAEGAEJK-UHFFFAOYSA-N 472.133 3.661 50 10 JHGE O=C(c1cc(Br)ccc1I)N(CCCl)C1CCOCC1 2381877736 KPAHCFLGDBDJPS-UHFFFAOYSA-N 472.548 3.914 50 10 JHGE CC1(NC(=O)CBr)CCC(C(C)(C)NC[C@H](O)COc2cccc3[nH]ccc23)CC1 3874689 XSAGAZCYTLNCEN-BNGSBABLSA-N 480.447 3.736 50 10 JHGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 13976209 MZCXFAGQAVWTOM-UHFFFAOYSA-N 482.606 3.537 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 14031272 MFSOTNGKTDCOME-UHFFFAOYSA-N 490.585 3.985 50 10 JHGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)Cn1ccc2ccccc21 14776364 CEVQRAOJTAQLIX-UHFFFAOYSA-N 458.356 3.928 50 10 JHGE CCCn1c(=O)n(CCC(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c2ccccc21 16227154 AZMVQCQHUFDYAA-UHFFFAOYSA-N 494.555 3.675 50 10 JHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccccc3Cl)nc12 102683022 BCNSRFGRHCGSGT-TXQCQQFXSA-N 464.909 3.651 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(O)c1 254402023 HTXKJLGVLFQKHT-UHFFFAOYSA-N 472.592 3.865 50 10 JHGE CC(=O)Oc1ccc(C=NNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 254869717 ZMZPDMVTKRMZNZ-UHFFFAOYSA-N 456.546 3.698 50 10 JHGE O=C(CBr)c1cc(I)c(F)c(I)c1 306523850 VMQGCTLKUXQBES-UHFFFAOYSA-N 468.829 3.613 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CCOC[C@H]1CCBr 694879734 KECAAPGMTFAXFA-SNVBAGLBSA-N 458.521 3.571 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 1476131886 WDKASOHNGRPLFF-HNNXBMFYSA-N 456.499 3.856 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)c1 1637299364 WCPNNPMFVCNPCL-HOJAQTOUSA-N 456.612 3.944 50 10 JHGE C[C@H](Br)[C@@H](NC(=O)c1cc(I)ccc1F)C(F)(F)F 1882675965 WGVFAUXHUJTOLA-SSDLBLMSSA-N 453.999 3.874 50 10 JHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(Cc1ccccc1)[C@H](CCl)C1CC1 1978677846 QILJSQOZKBNAIW-QPPBQGQZSA-N 493.000 3.860 50 10 JHGE Cc1sc(C)c(S(=O)(=O)NC[C@@H](Br)CBr)c1Br 2005152239 XCELRDLMPWYYEV-ZETCQYMHSA-N 470.046 3.564 50 10 JHGE CO[C@@H](CCBr)CNC(=O)c1ccc(I)c(Br)c1 2049491163 XAPAZVAEIKLPJU-VIFPVBQESA-N 490.961 3.584 50 10 JHGE CCCCCC[C@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(O)C4=C[C@@H]1C[C@H](O)CCCC)C(=O)OC3=O 2080455846 PWYXBNKHHZEXDU-SJJYIAJXSA-N 460.567 3.722 50 10 JHGE O=C(NC[C@@H](NS(=O)(=O)c1cccc(CCl)c1)C(F)(F)F)OCc1ccccc1 2106303159 RQQYKSKGLNVIIA-MRXNPFEDSA-N 450.866 3.561 50 10 JHGE F[C@H](CBr)C1CN(c2ncc(C(F)(F)F)cc2I)C1 2110587617 MGSFVOLGJZQSDI-MRVPVSSYSA-N 453.015 3.874 50 10 JHGE CC(C)[C@@H]1CN(S(=O)(=O)CCC(F)(F)CBr)CCN1Cc1ccccc1 2123362855 QALULYKRPHYKIG-KRWDZBQOSA-N 453.393 3.579 50 10 JHGE C[C@H]1CO[C@H](CCl)CN1C(=O)c1ccc(Br)cc1I 2142285629 RYKNGAJOEICGQT-WCBMZHEXSA-N 458.521 3.522 50 10 JHGE C[C@H]1CCN(S(=O)(=O)c2ccc(CCBr)cc2)CCN1Cc1ccccc1 2179774053 BTKMDMAOYVDJNO-SFHVURJKSA-N 451.430 3.909 50 10 JHGE Cc1c(CBr)cccc1NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2268332084 WVOVTHRNJOHIRH-UHFFFAOYSA-N 479.396 3.954 50 10 JHGE CC(CC(=O)Nc1cccc([N+](=O)[O-])c1)=NNC(=O)COc1ccc(Br)c(C)c1 2297635555 QKAZUQMKPOOZNK-UHFFFAOYSA-N 463.288 3.565 50 10 JHGE CN(C(=O)OC(C)(C)C)[C@@]12CCC[C@@H](CN(CCOCCI)C1)C2 2306798972 JUJYJVCZZNJXHM-CRAIPNDOSA-N 452.377 3.550 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CCCC[C@H]1CCBr 2338690381 GYBBKDYAHXPEDR-QMMMGPOBSA-N 457.992 3.725 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CBr 2338842272 HFXNMDROZDWCAH-SJORKVTESA-N 485.444 3.526 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@](C)(CBr)CC1(C)C 2364229072 VFKGUCATBHYFOG-ZDUSSCGKSA-N 472.019 3.971 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](CBr)C2(CCC2)C1 2364229581 BXJKFQUHTVNGTJ-QMMMGPOBSA-N 470.003 3.582 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Cl)cc2I)C[C@H](CCBr)O1 2365593684 VUKXHHRZDQJKAD-KOLCDFICSA-N 472.548 3.959 50 10 JHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3Cl)cc2)c1 12501686 ATVHEFWNMSLMTJ-UHFFFAOYSA-N 466.950 3.850 50 10 JHGE COc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1I 12573638 ZAGJJQUAQHYGKZ-UHFFFAOYSA-N 486.309 3.893 50 10 JHGE COc1ccccc1C(=O)NCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 15974181 NXPJPYRNLGUSOF-UHFFFAOYSA-N 496.361 3.917 50 10 JHGE aggregator N#C/C(=C/c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1)c1nn(CCO)c(N)c1C#N 29492429 NOKFIGBKERJXSY-JCMHNJIXSA-N 497.559 3.761 50 10 JHGE N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 35516828 QGINANPNCTYZMB-OWBHPGMISA-N 461.503 3.970 50 10 JHGE CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40572963 SZZXUKJGQFMGKY-UHFFFAOYSA-N 457.288 3.541 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCC(=O)OCC 58892322 MEWICTFJIPAECZ-NWUVQHAMSA-N 468.550 3.720 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1CO 203712545 NFWFWDHQKIZYSJ-NHCUHLMSSA-N 455.671 3.933 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1cc(Br)cc(Br)c1 235594141 BWGNVCUUMBXXQR-QPUJVOFHSA-N 455.972 3.836 50 10 JHGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3ccccc3C)c3ccccc23)C1 254291191 WABYCOZYDHJFNL-NRFANRHFSA-N 466.607 3.510 50 10 JHGE CCOc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(F)cc1 254572883 KVDZFTJWIKTZTH-UHFFFAOYSA-N 481.436 3.881 50 10 JHGE COc1ccc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC 254754183 DELXFYQAIPERCB-UHFFFAOYSA-N 462.531 3.601 50 10 JHGE ClCc1sc(-n2cnc(I)c2I)nc1Cl 306218938 PDUVCFISCUCHMQ-UHFFFAOYSA-N 485.903 3.930 50 10 JHGE C[C@H](CCl)CS(=O)(=O)Nc1cc(I)cc(I)c1 709823667 AKITVDOJKWPCBI-SSDOTTSWSA-N 499.539 3.512 50 10 JHGE C[C@H](Br)C1CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 719758303 OZHGFLWORNQSDR-ZETCQYMHSA-N 462.001 3.616 50 10 JHGE CC(=O)N(c1ccc(F)cc1)c1nc(C=NNC(=O)CN2CCCc3ccccc32)cs1 917535363 AFLJGHNMEGCWOY-UHFFFAOYSA-N 451.527 3.870 50 10 JHGE Cc1ccc(NC(=O)C2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)nc1 918625749 AFXVAPZLVMFYML-XQNSMLJCSA-N 493.571 3.951 50 10 JHGE CCOc1cc2c(cc1/C=C(\C#N)c1nnc(N3CCOCC3)n1-c1ccccc1)O[C@H](C)C2 1087623875 KGBXYFIYLBKTLI-ALDSOSFCSA-N 457.534 3.890 50 10 JHGE C=C1c2ccccc2C(=O)N1CC(=O)NNc1c(Br)cccc1Br 1448446493 YBKFPPMLQUFEOW-UHFFFAOYSA-N 451.118 3.781 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCOC12CN(C(=O)OC(C)(C)C)C2 2010827342 PFLSVMWEEXIKPI-INIZCTEOSA-N 477.693 3.651 50 10 JHGE CCCOc1ccc(C(=O)NNC(=O)C=Cc2ccc(OC(F)F)c(OC)c2)cc1OC 2040445043 YFTJUZXRLWLMTO-UHFFFAOYSA-N 450.438 3.568 50 10 JHGE O=C(NCC[C@H]1COC[C@H]1Br)c1c(Br)cccc1Br 2111328602 NGJSAKORILOBCY-GZMMTYOYSA-N 455.972 3.741 50 10 JHGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CC[C@](CBr)(C(F)(F)F)C1 2111394665 PHECCNXVUJYEIZ-BZUAXINKSA-N 456.324 3.713 50 10 JHGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)CCC(F)(F)CBr)C1 2123361592 IACZTPJSBDXQTK-JKSUJKDBSA-N 453.393 3.579 50 10 JHGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163052888 IJHYHQKKQVUAFE-GJZGRUSLSA-N 461.422 3.848 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](OCCCl)C1 2170220958 LVGKDFSJZWHCLZ-NSHDSACASA-N 472.548 3.914 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@H](CBr)OCC12CC2 2183975133 VFJFRFFHJRLBJL-LBPRGKRZSA-N 467.983 3.980 50 10 JHGE O=C(c1ccc(Br)cc1I)N1CC2(C1)OCCC[C@H]2Cl 2207269627 UVZRWTIRSTUURS-GFCCVEGCSA-N 470.532 3.666 50 10 JHGE CCN(C[C@](C)(CI)OC[C@H]1CCCN(C)C1)C(=O)OC(C)(C)C 2214887400 VYALJZWBEOBLHF-YJBOKZPZSA-N 454.393 3.796 50 10 JHGE CCCN1CC[C@H]([C@H](Br)c2cc(C)ccc2I)S1(=O)=O 2240992238 VXYWRABQXPTKMA-ZIAGYGMSSA-N 472.186 3.850 50 10 JHGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1O 2313546027 XAPFFPYKUVUPDO-UHFFFAOYSA-N 456.340 3.809 50 10 JHGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCC(=O)OCC 2313568667 XSDJQPDMUZKUSN-UHFFFAOYSA-N 459.546 3.613 50 10 JHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)C=Cc3ccco3)cc2)cc1 2325755241 ITZAHXJKQZPCJO-UHFFFAOYSA-N 482.543 3.693 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361446512 NHHCARWWRIYORS-POYBYMJQSA-N 457.131 3.990 50 10 JHGE CS(=O)(=O)[C@H]1C[C@@H](CO[C@@H](CI)c2ccc(Br)cc2)C1 2381023379 LUZLDRNCQBMJRK-GDLCADMTSA-N 473.170 3.765 50 10 JHGE N#CC1=C(N)C(C#N)(C#N)C2=CCN(C(=O)OCc3ccccc3)C[C@@H]2[C@@H]1c1cccc(F)c1 1073785 MXZIZHHQLCBZAP-JTHBVZDNSA-N 453.477 3.888 50 10 JHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)N/N=C/C(C)C 6174299 CELIEGLLWQSDTM-BUVRLJJBSA-N 491.635 3.832 50 10 JHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)cc1 14030552 FVXXXOOTKMNOSO-KRWDZBQOSA-N 457.596 3.949 50 10 JHGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCc1ccccc1 14668624 DACITVSOPKMTMN-UHFFFAOYSA-N 464.385 3.505 50 10 JHGE C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 20311382 AIXZWLSSODXGFX-OTWRLEFPSA-N 470.117 3.858 50 10 JHGE Cc1cc[n+]([C@@H]2[C@@H](c3ccc(Br)cc3)C(C#N)=C(C(C#N)C#N)N[C@]2(O)C2CC2)cc1 36638785 UXXQGELQYWLOII-QTJGBDASSA-N 475.370 3.513 50 10 JHGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccncc1)CCC2 40814045 QZDCUBKEDKKLTF-TURZUDJPSA-N 460.490 3.882 50 10 JHGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 40864502 ZUZLGCBJRHKGDS-DTQAZKPQSA-N 454.533 3.888 50 10 JHGE COc1ccc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1OC 59165180 HRXFDKBKXLTTBR-BUVRLJJBSA-N 454.504 3.544 50 10 JHGE CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H](CCl)O1 164316353 SLDJYAFIZPXBKX-JTQLQIEISA-N 461.603 3.619 50 10 JHGE CC(=O)N(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccc(N)c1 216500086 JZDYRIAFPOWHRA-DAFNUICNSA-N 479.584 3.963 50 10 JHGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)c1 254679113 JZZUSFTZMNPKNK-UHFFFAOYSA-N 488.544 3.727 50 10 JHGE Cc1c(C=NNC(=O)CNC(=O)COc2ccccc2)c2ccccc2n1Cc1ccccc1 254855616 ZMKJJNIVXRVYQR-UHFFFAOYSA-N 454.530 3.643 50 10 JHGE Cc1cc(C)cc(NC(=O)COc2cccc(C=NNC(=O)C(=O)Nc3cccc(C)c3)c2)c1 254855935 KGTZNFHNWKQVCY-UHFFFAOYSA-N 458.518 3.718 50 10 JHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2cc(Br)cc(Br)c2)C1 311827921 OOVYEFFQMGGHQW-RYUDHWBXSA-N 455.972 3.836 50 10 JHGE COc1ccc(OC)c(C(=O)N/N=C(\C)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)c1 407947187 AYWAGQFAYISZSW-QSHKUHANSA-N 467.522 3.687 50 10 JHGE COc1ccc(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1OC 725447804 HIRZYGWEEKGQJD-UHFFFAOYSA-N 465.481 3.553 50 10 JHGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1OC 1083969263 TZKUBXCNTNFYJU-UHFFFAOYSA-N 495.963 3.745 50 10 JHGE CC(=O)N[C@](C)(C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C(C)C 1141361618 TUQFWAMJGZGYEJ-DEOSSOPVSA-N 452.942 3.867 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nc3ccc4scnc4c3s2)cc1 1210162550 PPDBMPHHGPOHJC-LLVKDONJSA-N 455.521 3.729 50 10 JHGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772752133 VIJGXXZOAZLTJW-UHFFFAOYSA-N 466.582 3.803 50 10 JHGE COC(=O)c1ccccc1NC(=O)COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858683392 NHEVJVSUDCUBJO-UHFFFAOYSA-N 484.396 3.544 50 10 JHGE CCCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1866637747 FOBMXTQZMIRZLE-HXUWFJFHSA-N 488.635 3.746 50 10 JHGE CC[C@H](C)[C@@H](CI)NC(=O)c1sccc1I 1993391820 ZURBMJLUJKVXTQ-IONNQARKSA-N 463.122 3.932 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)c2scc(Br)c2Br)C[C@H]1Br 2067189316 QBCFTOYNIKAVHK-ATRFCDNQSA-N 462.001 3.944 50 10 JHGE CCN1CC[C@H]([C@H](Cl)c2ccc(Br)cc2I)S1(=O)=O 2142284684 GMHJRBXHJGIKNC-VXGBXAGGSA-N 478.577 3.758 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CCl)C(F)(F)F)cc1Br 2146607733 FKIAYHOKIDWWMK-VIFPVBQESA-N 459.509 3.968 50 10 JHGE O=C(N[C@H]1CCCN(CCBr)C1)c1cccc(Br)c1Br 2148757589 QGWFKYNRTUDVDB-JTQLQIEISA-N 469.015 3.801 50 10 JHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1cccc(Br)c1Br 2148757590 QGWFKYNRTUDVDB-SNVBAGLBSA-N 469.015 3.801 50 10 JHGE O=C1NCCCc2ccc([C@@H](Br)c3cc(I)sn3)cc21 2176541313 YCOHQHKOKAYQIW-CYBMUJFWSA-N 463.138 3.908 50 10 JHGE O=S(=O)(c1cc(CBr)co1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179833281 AZUZYTQHIOSIDT-UHFFFAOYSA-N 453.402 3.851 50 10 JHGE O=C(NC12CCC(CBr)(CC1)C2)c1ccc(I)c(O)c1 2189330102 BJIFHUIAGQMGFQ-UHFFFAOYSA-N 450.114 3.824 50 10 JHGE CO[C@@H]1CN(Cc2cc(Cl)ccc2I)[C@H](CBr)[C@H]1OC 2233348495 OTZODLWKAYVAMJ-MGPQQGTHSA-N 474.564 3.554 50 10 JHGE Cc1cc(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2269564166 SWHGLXTZBKPSOK-AREMUKBSSA-N 486.377 3.567 50 10 JHGE CC(C)(CBr)CS(=O)(=O)N1C[C@@]23CCC[C@]2(CN(Cc2ccccc2)C3)C1 2290076538 GCFWGONEJNJPCL-SFTDATJTSA-N 455.462 3.725 50 10 JHGE COC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OC 2294146959 KZDMROUUPBBTDK-UHFFFAOYSA-N 459.296 3.864 50 10 JHGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(OC)cc3)nc2C)cc1OC 2321075977 DLTXEXMMEBAPSY-UHFFFAOYSA-N 461.518 3.947 50 10 JHGE COc1ccccc1-c1csc(C(C#N)=C(O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331282439 VLUBSADAVKSFAV-UHFFFAOYSA-N 462.443 3.816 50 10 JHGE N#CC(C#N)=Cc1ccc(N(CCI)CCI)cc1 4707834 JEMPHGAOQKRMPF-UHFFFAOYSA-N 477.087 3.794 50 10 JHGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 12502400 LHPQXWJRGWXNDD-UHFFFAOYSA-N 478.357 3.626 50 10 JHGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N2CCOCC2)cc1 33249076 VZOJUSXKYMVQRS-VLGSPTGOSA-N 458.518 3.550 50 10 JHGE COc1cc(/C=C\C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1O 33503989 JLUQIKDIMNPHQY-SQFISAMPSA-N 454.486 3.728 50 10 JHGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816241 RHUALBDIAOOJPW-LGUFXXKBSA-N 451.548 3.858 50 10 JHGE Cc1ccc2c(c1)/C(=N/NC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1)C(=O)N2 96836072 YLUNCENISRHTHN-ORBZITSMSA-N 450.498 3.795 50 10 JHGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@]3(C)C1(C)C 100945754 DBMANPAHOSISSS-CLJLJLNGSA-N 473.533 3.945 50 10 JHGE CC[Si](CC)(CC)O[C@@H]1CO[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](OC(C)=O)[C@H]1OC(C)=O 169976312 BFEHWXCZKFZQCB-MHTWAQMVSA-N 469.563 3.584 50 10 JHGE COCCS(=O)(=O)CCOc1c(Br)cc(CBr)cc1Br 379989115 LUKYUGAKCWTMDJ-UHFFFAOYSA-N 495.027 3.547 50 10 JHGE ClCCc1nnc(Nc2cc(I)cc(I)c2)o1 690422553 YWGWVMFUSPSIEP-UHFFFAOYSA-N 475.455 3.804 50 10 JHGE O=C(NN=Cc1cnn2ccccc12)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 729633861 RNFVPNRPJVGPAQ-UHFFFAOYSA-N 453.911 3.552 50 10 JHGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccccc1)S(=O)(=O)c1ccccc1 1083984699 DQBCQHBWHUGUGF-UHFFFAOYSA-N 451.548 3.821 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(O)c(OCC)c2)cc1 1084361147 GKQMOXYAIVWUSP-GOSISDBHSA-N 465.344 3.916 50 10 JHGE CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 1086833652 XPMKQPKEAQGRKN-XMMPIXPASA-N 481.556 3.755 50 10 JHGE CS(=O)(=O)Cc1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1860822745 LPPNEMDDARAMHC-ROMGYVFFSA-N 481.961 3.566 50 10 JHGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1ccc(CBr)c(Br)c1 1887891993 ATWRXWNYXONHMQ-GXSJLCMTSA-N 476.028 3.748 50 10 JHGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1cc(Br)c(Br)s1 2006155293 VRTQJGIYVUPQAH-HFEOUEFNSA-N 465.026 4.000 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3cc(Br)sc3Br)[C@@H]2C1 2006159094 NTKZAWUHGGCZAH-FAYXRDSDSA-N 465.026 4.000 50 10 JHGE CCC(CC)[C@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029232377 HXIYXEKBEZWFQB-GOSISDBHSA-N 473.433 3.572 50 10 JHGE O=C(c1csc(I)c1)N1CC[C@@H](C(F)(F)CBr)C1 2077102433 RFGNWTKYDONNDQ-MRVPVSSYSA-N 450.086 3.845 50 10 JHGE O=C(NC[C@@H](NS(=O)(=O)c1ccccc1CCl)C(F)(F)F)OCc1ccccc1 2106303721 XNRNTCRNKPCHRC-MRXNPFEDSA-N 450.866 3.561 50 10 JHGE COc1cc(CBr)ccc1S(=O)(=O)N1CCC[C@@H](OCc2ccccc2)C1 2186379432 ACDCXUGHQVITAI-GOSISDBHSA-N 454.386 3.960 50 10 JHGE O=C(NC[C@]1(CCl)CCCOC1)c1ccc(Br)cc1I 2207275099 INNCQCOUNQNVIM-CQSZACIVSA-N 472.548 3.819 50 10 JHGE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2282699765 LZQQGEZJFAQCEV-UHFFFAOYSA-N 496.504 3.930 50 10 JHGE CC[C@H](C)[C@H](CI)NC(=O)c1c(Br)c(Br)nn1C 2316834833 VCTUZQMHYANBFJ-BQBZGAKWSA-N 492.981 3.525 50 10 JHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc3ccccc23)cc1 34984143 OTCQUPRMELKYCD-SSZFMOIBSA-N 460.559 3.927 50 10 JHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)c(OC)c1 38656810 IBUJPMMGAWCESS-RUZDIDTESA-N 458.470 3.906 50 10 JHGE CCCCCCCC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100171291 HZPKVIIVMVKREY-UHFFFAOYSA-N 464.813 3.864 50 10 JHGE CC1(C)C[C@H](N=C=O)C[C@](C)(CNC(=O)Nc2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)C1 170290078 SVDSYRDNWDMZPN-WNSKOXEYSA-N 460.579 3.745 50 10 JHGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\NCCc2ccccc2Br)cc1OC 217175541 ZTASZZIKCWUEIF-SULWINFOSA-N 458.356 3.883 50 10 JHGE CC(C)[C@@H](CI)NS(=O)(=O)c1ccc(Br)cc1Cl 232723204 HLZDGLVZKNDPON-SNVBAGLBSA-N 466.566 3.840 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(O)c3)nnc2-c2ccccc2)cc1 254622583 CXKOLDQWGWOJLD-UHFFFAOYSA-N 475.530 3.597 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)CCC(=O)NN=Cc2ccc(N(CC)CC)cc2)cc1 254696375 POEJVWJRPJGACF-UHFFFAOYSA-N 464.614 3.760 50 10 JHGE O=S(=O)(c1cc(Br)cc(CCl)c1F)N1CC2(CN(Cc3ccccc3)C2)C1 706179871 IGLQEECNUHLCMH-UHFFFAOYSA-N 473.795 3.834 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(O)c1 1084345300 OGLLGRDVBPEHPQ-UHFFFAOYSA-N 459.553 3.999 50 10 JHGE C=CCN(c1ccc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 1084457722 VUWDNXLRACIWEH-UHFFFAOYSA-N 464.503 3.740 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(OCc3cscn3)c2)cc1 1215085287 XSEWMTZVNMUMFG-HNNXBMFYSA-N 454.508 3.545 50 10 JHGE N#CSCC(=O)Nc1nc2c(Br)cc(I)cc2s1 1615891413 SRIVBDNLWNSUSK-UHFFFAOYSA-N 454.112 3.816 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Cl)cc2OCC(F)F)cc1 1671949985 WLOSDTZTXBPKOH-GFCCVEGCSA-N 455.845 3.807 50 10 JHGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNc2c(Cl)cc(F)cc2Cl)CC1 1678202576 RJXFUNRZVOGUJL-UHFFFAOYSA-N 454.333 3.627 50 10 JHGE CCCCCN1C(=O)C(=NNC(=O)CCNC(=O)c2ccccc2Br)c2cc(C)ccc21 1772720643 QNSVWESVRKHLIL-UHFFFAOYSA-N 499.409 3.935 50 10 JHGE CC(C)Oc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(SC#N)cc3)CC2)cc1 1858625907 NTVDLDQORGKNDM-UHFFFAOYSA-N 460.581 3.585 50 10 JHGE CC(=O)Nc1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858684121 DYNAOZXRNXYWKH-UHFFFAOYSA-N 465.422 3.577 50 10 JHGE CCCCCCCCCCN1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960408 CWVGPRDQECBOJZ-FGZHOGPDSA-N 471.646 3.753 50 10 JHGE BrC[C@]12C[C@H]1CN(c1ncc(I)cc1Br)C2 1896466225 QDFNQNLQHNGSMW-CPCISQLKSA-N 457.935 3.670 50 10 JHGE CCOC(=O)c1ccc(I)c(CCl)c1I 2055322241 CAXANDITLYTCOG-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE CCOC(=O)c1ccc(I)c(I)c1CCl 2055333671 HMMJNXMZIATHTK-UHFFFAOYSA-N 450.441 3.811 50 10 JHGE O=S(=O)(c1ccc(CBr)s1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2123232921 XJVBJIGUYBCGNQ-SJORKVTESA-N 455.443 3.786 50 10 JHGE O=S(=O)(NC[C@@H](CCl)C(F)(F)F)c1cc(Br)ccc1Br 2161568399 QMZAIGJRTPXJCX-ZCFIWIBFSA-N 459.509 3.907 50 10 JHGE CC(C)(C)OC(=O)N1CC(CCCCNS(=O)(=O)c2ccc(CBr)cc2)C1 2162590803 FRXYVIKLIQZMNF-UHFFFAOYSA-N 461.422 3.897 50 10 JHGE O=C(Nc1ccc(CNS(=O)(=O)c2ccc(CBr)cc2)cc1)C(F)(F)F 2162602809 QXDPSMFEOHVPSM-UHFFFAOYSA-N 451.264 3.561 50 10 JHGE CC1(C)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CCBr 2230260146 LPXCAQQKQVBVRJ-INIZCTEOSA-N 485.444 3.526 50 10 JHGE O=C(c1csc(Br)c1Br)N1C[C@H]2CCO[C@@]2(CBr)C1 2231354920 IHOVQWHRLXSIJD-KRTXAFLBSA-N 474.012 3.899 50 10 JHGE COC(=O)c1cc(Br)ccc1-c1ccc(C=C2C(=O)N(C)C(=O)C(C#N)=C2C)o1 2297461727 MWCHWAIZFIPRAB-UHFFFAOYSA-N 455.264 3.718 50 10 JHGE CCCOc1c(OCC)cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 2323081428 MVGYBAFURHHOEB-UHFFFAOYSA-N 457.512 3.901 50 10 JHGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4c(C)nc5scc(C)n45)c(=O)c23)cc1 2325904470 AEZBWADFHOSFFW-UHFFFAOYSA-N 476.587 3.910 50 10 JHGE C[C@@H](Br)[C@H]1CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338844181 ZBNWJGXXEFIEEW-VQIMIIECSA-N 485.444 3.811 50 10 JHGE C[C@@H]1[C@@H](Br)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1C 2344516590 CSZSLFSXBZSNPP-BXWFABGCSA-N 485.444 3.667 50 10 JHGE COc1ccc(CCCc2nnc(SCC(=O)N/N=C/c3ccc(O)c(OC)c3)o2)cc1C 634269 FIZWIBQQJLGGRU-ZMOGYAJESA-N 470.551 3.519 50 10 JHGE CCOC(=O)c1nn(-c2ccc(Br)cc2)c(=O)c2c(NC(=O)CCl)scc12 10248085 APXWLCNVOVUWRJ-UHFFFAOYSA-N 470.732 3.564 50 10 JHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 12503015 BNUVJRDELVWOAK-UHFFFAOYSA-N 470.378 3.562 50 10 JHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 12573028 KULOEVFOURNKBU-UHFFFAOYSA-N 491.194 3.779 50 10 JHGE CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14013969 LHGLIFPBSBPLHA-INIZCTEOSA-N 455.736 3.795 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)Cn1ccc2ccccc21 14775996 ABBOHYACCCBOQX-UHFFFAOYSA-N 495.171 3.701 50 10 JHGE COc1ccc(/C(C#N)=C\c2cccc(OC(=O)CN3C(=O)c4ccccc4C3=O)c2)cc1OC 31902924 QVZBKJCIWAQVAZ-UNOMPAQXSA-N 468.465 3.970 50 10 JHGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1Cl 33558721 IQYUMYKDTONWKB-WGHBEHPSSA-N 467.978 3.934 50 10 JHGE N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59160498 QKGVAAHUAKPNJE-ZMOGYAJESA-N 461.390 3.696 50 10 JHGE CCCCCc1ccc(-c2cc3cn([C@@H]4C[C@H](OC(=O)CCl)[C@H](CO)O4)c(=O)nc3o2)cc1 207825061 MKQBIMMSDQMLOQ-ACRUOGEOSA-N 474.941 3.820 50 10 JHGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\Nc1ccc(I)cc1 217231106 VISRGMPQFFREQC-KHPPLWFESA-N 464.219 3.666 50 10 JHGE COc1ccc(Br)cc1C(=O)NN=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 252594382 BSHFJMJSPMPPSX-UHFFFAOYSA-N 489.347 3.989 50 10 JHGE COc1cccc(COc2ccccc2C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)c1 254825692 OBTHUCUSFCMIAJ-UHFFFAOYSA-N 487.541 3.882 50 10 JHGE Cn1ncc(CC(CBr)(CBr)c2cccc(Br)c2)n1 311645100 CBKXWRIRKMFHJI-UHFFFAOYSA-N 451.988 3.848 50 10 JHGE CCOc1cc(C=NNC(=O)NC(C)C)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 745012018 FGBLFKIMXOUQBB-CLOONOSVSA-N 458.603 3.933 50 10 JHGE COCCn1c(C)cc(/C=C(/C#N)C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1C 790007231 PBQNEAPSKKTIJT-JCMHNJIXSA-N 490.535 3.838 50 10 JHGE CC(=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1C[C@@H]1c1ccccc1Cl 920362015 HEMLGOXWZLGPNM-FGZHOGPDSA-N 490.025 3.589 50 10 JHGE COc1ccc2cc(C=NNC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)c(Cl)nc2c1 1084187555 FYZHKQWWKHOCML-UHFFFAOYSA-N 496.976 3.966 50 10 JHGE O=C(CCc1ccc2c(c1)OCO2)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1084511538 SRMADPLBSYJUDX-XCHVTZHJSA-N 453.498 3.928 50 10 JHGE COc1cccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1OC 1084521277 WRRIFZLJLWTNGN-UHFFFAOYSA-N 487.965 3.703 50 10 JHGE CCn1cc(Br)c(C(=O)N(C)C[C@H](Br)COCc2ccccc2)n1 2010560584 CPVNWUGTZRAOEA-AWEZNQCLSA-N 459.182 3.718 50 10 JHGE C[C@H]([C@H](Br)c1cc(Cl)ccc1I)S(=O)(=O)N(C)C 2029073629 FVUOJDWYYIDDLF-HQJQHLMTSA-N 466.566 3.661 50 10 JHGE COC(=O)Cc1c(I)cc(CBr)cc1I 2055329535 SXLOYYHQPJIEHR-UHFFFAOYSA-N 494.892 3.506 50 10 JHGE Cc1csc(CBr)c1S(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2132362755 AXVJBZKFEJCDAG-IRXDYDNUSA-N 455.443 3.846 50 10 JHGE CN(C[C@@H](Cl)C1CCCCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2167651433 DPJKVQZRIVKBDV-HXUWFJFHSA-N 455.020 3.902 50 10 JHGE Cn1cc(-n2c(CCCl)nc3cc(I)ccc32)c(Br)n1 2238991330 MYVDLWONDYFIAN-UHFFFAOYSA-N 465.520 3.907 50 10 JHGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 2293175937 SXNIHPCEKGRLAU-UHFFFAOYSA-N 457.552 3.847 50 10 JHGE O=C(C=Cc1ccccc1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 2313517685 DNQWYCCMPMVMFK-UHFFFAOYSA-N 484.375 3.716 50 10 JHGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCCOC)c(=O)oc3c2)cc1 2314751193 VTXXXJDVFOTXCS-UHFFFAOYSA-N 490.512 3.861 50 10 JHGE O=C(c1cc(I)sn1)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2336331611 KEUOAUDQVUQQEM-FSPLSTOPSA-N 469.064 3.678 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](NCC2CC(Br)C2)(C(=O)O)C(F)(F)CC1 2376557181 ZHQXVDFNHSLQPF-QWQCLYJRSA-N 455.340 3.629 50 10 JHGE CN1CCC(=NNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)CC1 12579304 NXLRYQBFCRDBLX-UHFFFAOYSA-N 455.367 3.606 50 10 JHGE Cc1cccc(Cn2cccc(C(=O)NNC(=O)c3sc(-c4ccccc4)nc3C)c2=O)c1 109108076 NKWIHTJKXGYASX-UHFFFAOYSA-N 458.543 3.712 50 10 JHGE CCn1c(SCC(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])nnc1-c1ccc(OC)c(OC)c1 254523262 HBALBKBPVPSALT-LZQGVIIKSA-N 496.549 3.798 50 10 JHGE O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)c(Cl)c1 1084576163 WZZPJBFEIAOLAY-UHFFFAOYSA-N 466.346 3.928 50 10 JHGE C/C(=C\C(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)CN1CCOCC1 1135762001 UTHHAKRRCJPNPK-SAPNQHFASA-N 459.999 3.672 50 10 JHGE O=C(O)/C=C\C(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742857 ZVONKAKMGPYHCB-HBEKWBCKSA-N 459.687 3.804 50 10 JHGE O=C(CCCc1ccc(Cl)cc1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860770113 UCPMAATUANXRPN-UHFFFAOYSA-N 480.977 3.949 50 10 JHGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)nc2C)CC1=O 1865758183 NJRMYZVRXHWGDT-FQEVSTJZSA-N 474.536 3.881 50 10 JHGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865852203 OZDKNOODFGTYOY-MAUKXSAKSA-N 496.633 3.767 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1C[C@@H](Br)[C@H](Br)C1 1910007697 WZJPGRIYHPOCNX-RKDXNWHRSA-N 493.364 3.927 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](Br)[C@H](F)C1 1910196415 BFSBBZHBBKZHDC-DTWKUNHWSA-N 476.909 3.611 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CC[C@@H](I)C1 1994517064 VAVXBEPLAUCRNR-MRVPVSSYSA-N 458.919 3.861 50 10 JHGE O=S(=O)(NCC1CC(CBr)C1)c1cc(Br)ccc1Br 2112238778 ZGQAOUOAWSLPJD-UHFFFAOYSA-N 476.028 3.911 50 10 JHGE O=S1(=O)CC[C@H]([C@@H](CBr)Cc2ccc(I)c(Cl)c2)C1 2142938728 AYTRKKIYMCESLS-WDEREUQCSA-N 477.589 3.933 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1CN(CCCCCI)[C@@]2(CCCOC2)C1 2214711513 LOPQCPOFJRGBSN-YJBOKZPZSA-N 452.377 3.740 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC12CCCCC2 2241025706 DPDKNKLDRUYLKM-MRXNPFEDSA-N 497.455 3.811 50 10 JHGE C[C@@H](NC(=O)C(C#N)=C1NC(=NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccccc1 2296842988 UUOIKDIGKPZKIH-MRXNPFEDSA-N 465.469 3.897 50 10 JHGE COc1cc(C=CC(=O)NN)cc(Br)c1OCc1ccc(Br)cc1 2314019330 DHULFZORXMJRQP-UHFFFAOYSA-N 456.134 3.802 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CCS[C@H](CBr)C1 2317769472 VNCUJMITXIISCO-SECBINFHSA-N 460.562 3.897 50 10 JHGE CC(=NNC(=O)c1ccc(-c2ccc(F)c(F)c2)nc1C)c1ccc2c(c1)N(C)C(=O)CO2 2321261030 UWHJHWHGEGNYAX-UHFFFAOYSA-N 450.445 3.844 50 10 JHGE C[C@@]1(CBr)C=CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338832880 GQFVHXGZJHRTBH-NRFANRHFSA-N 483.428 3.588 50 10 JHGE CO[C@@H]1[C@H](OC)CN(Cc2ccc(Cl)c(I)c2)[C@H]1CBr 2362368359 MLIPVPQWKICVML-MJBXVCDLSA-N 474.564 3.554 50 10 JHGE Cc1cccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)c1 12503306 SIRUXZYXNZGJAO-UHFFFAOYSA-N 472.364 3.625 50 10 JHGE COc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1I 12573749 ISYBTTBUZSMCEG-GIJQJNRQSA-N 459.081 3.826 50 10 JHGE COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3cccc(Cl)c3)sc2=O)c1 33959593 KENHOUDCHWTLRA-AUEPDCJTSA-N 464.330 3.815 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](CBr)C1 232483606 GXMXWOWYHARLLR-QMMMGPOBSA-N 472.946 3.911 50 10 JHGE CC(=NNC(=O)c1nn(C)c(C)c1Br)c1cccc(NC(=O)c2ccoc2C)c1 252610508 IBUKNZVAZQIMMX-UHFFFAOYSA-N 458.316 3.799 50 10 JHGE CCN(CC)c1c(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)c(C)nn1-c1ccccc1 253565742 ICEIXHCEGXBKJK-OVVQPSECSA-N 458.566 3.918 50 10 JHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2coc3ccccc3c2=O)cc1 263627531 KHMUMVIYSDIBGK-PYDUDBHFSA-N 467.481 3.723 50 10 JHGE CC[Si](CC)(CC)O[C@H]1[C@@H](COS(=O)(=O)c2ccc(C)cc2)O[C@@H]2OC(C)(C)O[C@H]12 575398729 NEDGRUUEICONSF-IYWMVGAKSA-N 458.649 3.967 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCBr)C(C)(C)C 691007159 SNGJKURREPDLHI-UHFFFAOYSA-N 473.433 3.524 50 10 JHGE CCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 745843552 GNZTVMUKXSJZSI-PXLXIMEGSA-N 471.561 3.698 50 10 JHGE C=CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H]1CCS(=O)(=O)C1 1125953175 AXTLDMBWYCTCIM-QUYTYNJFSA-N 457.983 3.856 50 10 JHGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1cccc(Br)c1Br 1878695268 GCPHOSNOAZKVNT-KWQFWETISA-N 455.972 3.741 50 10 JHGE CCS(=O)(=O)COc1c(Br)cc(Br)cc1CBr 1999958703 KAMSYFAKOWSYSM-UHFFFAOYSA-N 450.974 3.878 50 10 JHGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1F 2179788348 BDQSKIGMDBKZLI-SFHVURJKSA-N 455.393 3.863 50 10 JHGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179825943 NBYIDJPCSBGPFT-NJDAHSKKSA-N 455.462 3.868 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCO[C@@H]2C[C@@H](Cl)C[C@@H]21 2185324488 FNLDDJNJQGGUAI-TVYUQYBPSA-N 470.532 3.665 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185328079 YSGXOEUPFRHQSH-XXILOJSOSA-N 467.983 3.979 50 10 JHGE CC1(C)CN(C(=O)c2ccc(I)c(O)c2)C[C@H]1CCBr 2238471283 XDSMHJMLGIRYLZ-LLVKDONJSA-N 452.130 3.880 50 10 JHGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NNC(=O)CC(C)C)cc1 2294772032 DXFSXAXXEYXULV-UHFFFAOYSA-N 463.563 3.997 50 10 JHGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NNC(=O)c2cccs2)cc1 2313682739 JRJGQIJRNPWUJG-UHFFFAOYSA-N 477.502 3.624 50 10 JHGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=CNc1ccc(I)cc1C 2325216995 KQIVUWPJUJOVDB-UHFFFAOYSA-N 478.246 3.975 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2338849348 HGPRUKKPXILVTO-BJWYYQGGSA-N 483.428 3.563 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2364017605 LOVYJKJYLOTTSN-HRDYMLBCSA-N 470.003 3.723 50 10 JHGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccccc1 14651240 BXQSLVUOAGPUOT-UHFFFAOYSA-N 478.412 3.752 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658677 AICAIOZUEUGAKS-UHFFFAOYSA-N 465.760 3.725 50 10 JHGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2)cc1OCC 40971363 ILEJLHCSBMIMOA-VMIIEYAXSA-N 464.518 3.772 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OC)c(I)c2)cc1 58892880 MDZPTWPJKKOVME-QLTNSANVSA-N 482.318 3.662 50 10 JHGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCCOC)c(=O)oc3c2)cc1 206546176 VTXXXJDVFOTXCS-ZHZULCJRSA-N 490.512 3.861 50 10 JHGE COc1ccc(CC(=O)NCC(=O)NN=Cc2c(C)n(Cc3ccccc3)c3ccccc23)cc1 254345857 LZNVWNQEWUCVCN-UHFFFAOYSA-N 468.557 3.816 50 10 JHGE CC(=O)[C@H](Br)c1ccc(I)c(I)c1 306943800 WHJYLKVWDSUTGP-VIFPVBQESA-N 464.866 3.921 50 10 JHGE FC(F)(F)Oc1cnc(I)c(CCl)c1I 396182097 PHPLEKLLNSGBAL-UHFFFAOYSA-N 463.362 3.928 50 10 JHGE O=NN(CCCl)C(=O)NC1(NC(=O)N(CCCl)N=O)C=CC(c2ccccc2)=CC1 642773401 VIBWPPHUNSJMIV-UHFFFAOYSA-N 455.302 3.590 50 10 JHGE O=C(NNc1ccc(F)c(F)c1F)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 727759908 HXFKFLJCLSKHML-UHFFFAOYSA-N 497.417 3.547 50 10 JHGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OC 1083982771 GLEPTDQFZKEWNE-KRWDZBQOSA-N 482.318 3.662 50 10 JHGE O=C(N[C@H](CCl)C[C@@H]1CCCO1)c1cc(I)ccc1Br 1926748248 HGARANHOSHEIFM-QWRGUYRKSA-N 472.548 3.960 50 10 JHGE Cc1sc(C)c(S(=O)(=O)NC[C@H](Br)CBr)c1Br 2005152238 XCELRDLMPWYYEV-SSDOTTSWSA-N 470.046 3.564 50 10 JHGE COc1cc(C=CC(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1O 2040429876 JLUQIKDIMNPHQY-UHFFFAOYSA-N 454.486 3.728 50 10 JHGE CCCCCC[C@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(OC)C4=C[C@@H]1[C@@H](O)C(=O)CCCC)C(=O)OC3=O 2080449658 PEDOLCOCDBKJNH-KETNXZQASA-N 488.577 3.555 50 10 JHGE O=S(=O)(C[C@H](Br)c1ccc(I)cc1)N1CCCCC1 2089394513 XIDWDIKJQQVDCK-ZDUSSCGKSA-N 458.159 3.543 50 10 JHGE C[C@@H](CBr)[C@H]1CCCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089707340 MULOOSXFGHTXAL-QFBILLFUSA-N 485.444 3.668 50 10 JHGE O=S(=O)(NCCCCCCI)c1ccc(F)cc1Br 2096620497 HBERKOYKFRYXRS-UHFFFAOYSA-N 464.138 3.862 50 10 JHGE Cn1cc(CCOc2c(Br)cc(Br)cc2CBr)nn1 2108099022 XCAHDSVPQDDESW-UHFFFAOYSA-N 453.960 3.857 50 10 JHGE Clc1ccc(I)c(CN2C[C@H]3COC[C@@H](C2)C3Br)c1 2111477854 JJUUQXLCKXLNOL-BVUQATHDSA-N 456.549 3.786 50 10 JHGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)ccc1Br 2178908083 UXYOVCSAYAKBCF-MNOVXSKESA-N 469.015 3.751 50 10 JHGE Cc1cccc(C(=O)N[C@@H](CBr)C[C@H]2CCOC2)c1I 2195479609 RJOMAUWRUPDHTK-VXGBXAGGSA-N 452.130 3.520 50 10 JHGE COCCN(C[C@H](C)Cl)C(=O)c1ccc(Br)cc1I 2272426244 OZOVHNGUXKTPTA-VIFPVBQESA-N 460.537 3.770 50 10 JHGE CCCCOc1ccc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 2314620548 QIJAOUHSMSRXJO-UHFFFAOYSA-N 454.523 3.810 50 10 JHGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccccc1N1CCOCC1 2325406494 SVEUBAGSTDOQRJ-UHFFFAOYSA-N 488.329 3.894 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](Cl)[C@@H]1C2 2364211663 PAUMNAZUGVWBTD-AHRSYUTCSA-N 453.004 3.655 50 10 JHGE Cc1ccc(C)c(O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 14008558 XPJFWIJABGLLCB-AWEZNQCLSA-N 452.338 3.944 50 10 JHGE NC(=O)[C@@H](Br)Cc1c(Br)cc(Br)cc1Br 167319313 WOOUCGOYDDVDAG-QMMMGPOBSA-N 464.777 3.765 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCO[C@@H](CBr)C1 168195961 QDNZEQJRALJYLM-QMMMGPOBSA-N 467.994 3.540 50 10 JHGE COc1cc(C=NNC(=O)/C(=C/C=C\c2ccccc2)NC(=O)c2ccccc2)cc(OC)c1O 263626672 ZCQLIGYVFAHACI-CLSZPUCMSA-N 471.513 3.887 50 10 JHGE CC(C)C[C@H](N)C(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084492912 SAESEZNLKXOARB-IBGZPJMESA-N 490.345 3.565 50 10 JHGE C=CC1(CC(=O)NNc2ccccc2I)CN(C(=O)OC(C)(C)C)C1 1558143544 AGGNBEYLGCDWSY-UHFFFAOYSA-N 457.312 3.548 50 10 JHGE CC(=O)c1ccc2c(c1)N(Oc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)O2 1858695518 VBCZSGSZFLSMQQ-AWEZNQCLSA-N 478.417 3.911 50 10 JHGE O=S(=O)(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)C1CC(OCc2ccccc2)C1 1877514763 VIQLXZYAJRNDHG-FJBKBRRZSA-N 456.324 3.617 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CC1CC(Br)C1 1883571086 KMSHDDHLZCDRGR-UHFFFAOYSA-N 450.418 3.511 50 10 JHGE O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1)OCc1ccccc1 2106768599 SQEPMKKTVCSLPS-LJQANCHMSA-N 481.412 3.909 50 10 JHGE O=C(c1cc(I)ccc1Br)N1[C@H](CCl)C[C@H]2OCC[C@H]21 2146698511 JYPVFCQPQKBKQB-ZWKOPEQDSA-N 470.532 3.665 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CC[C@]2(C[C@@H](Cl)CO2)C1 2201783013 YTOZJSQGQYAMGX-YGRLFVJLSA-N 470.532 3.666 50 10 JHGE O=C(N[C@H]1CC[C@H]1CBr)c1cc(I)ccc1Br 2213316214 HWDTYIKYMGPDAV-CPCISQLKSA-N 472.946 3.957 50 10 JHGE O=S(=O)(c1ccc(Br)s1)N1CCC(CBr)(C(F)F)CC1 2289954758 SPEOXCXJBZUJPO-UHFFFAOYSA-N 453.168 3.942 50 10 JHGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 2294217758 KYATVCPIZKQCNL-UHFFFAOYSA-N 475.480 3.721 50 10 JHGE COc1cc(C=NNC(=O)NC23CC4CC(CC(C4)C2)C3)cc(I)c1O 2297623096 VGOJZBNLRXMXCU-UHFFFAOYSA-N 469.323 3.607 50 10 JHGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccccc2C#N)c(I)c1 2313568626 XFVNZMORKIKNHR-UHFFFAOYSA-N 457.271 3.737 50 10 JHGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccccc4C3=O)n2)c(OC)c1OC 2331412657 SPBSXLHZBHRRBS-UHFFFAOYSA-N 477.498 3.925 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CCC[C@@H](CBr)C1 2364032431 TXFAVEFPXIAUJN-RKDXNWHRSA-N 472.019 3.876 50 10 JHGE CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 10736624 AHXFIGHWECXVNZ-UHFFFAOYSA-N 496.976 3.732 50 10 JHGE O=C(NNC(=O)c1ccccc1Br)c1cccc(OCCOc2ccccc2)c1 14040943 BELGSUYDXQMEKW-UHFFFAOYSA-N 455.308 3.982 50 10 JHGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccccc1[N+](=O)[O-] 14642111 JBEBIKSZPVDPNW-UHFFFAOYSA-N 470.279 3.864 50 10 JHGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 33343435 SXNIHPCEKGRLAU-JXAWBTAJSA-N 457.552 3.847 50 10 JHGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCC#N 58895309 DXYQPPQILWHCCP-AWXAQXEGSA-N 451.523 3.689 50 10 JHGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 66201488 LUMIEGAAYMRCAJ-JOCHJYFZSA-N 465.594 3.685 50 10 JHGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 206433239 GUPYGUDBRADVDB-GTMSFJRYSA-N 464.518 3.772 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccnc3)n2-c2ccccc2)cc1OC 254741006 ARTLBEYBRGRGEU-UHFFFAOYSA-N 488.573 3.979 50 10 JHGE C[C@@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 721577636 KNXPKWQYKYZIQI-ZETCQYMHSA-N 460.935 3.815 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)COc2ccc(C)c(Cl)c2)c1C 1084323652 XRJCTWQTTHCPDQ-UHFFFAOYSA-N 471.901 3.897 50 10 JHGE O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 1338275767 FAWWYEUTTBESND-JOCHJYFZSA-N 490.535 3.654 50 10 JHGE CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)OC)N2C(=O)CCl)cc1OC 1565520089 MNTSIKKEFLCZBA-JPYJTQIMSA-N 456.926 3.830 50 10 JHGE CC(=O)N(CCc1ccccc1)CC(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 1568854447 HDMUPVHRZZKVQD-UHFFFAOYSA-N 457.456 3.697 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1ccc(Br)cc1 1674025677 KHOHFSZDQMINDG-INIZCTEOSA-N 452.761 3.900 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751423 QRPRODFASIXIBU-UHFFFAOYSA-N 499.502 3.821 50 10 JHGE C[C@@H](C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860774427 WJYZEKBADBJUKW-LHMJKJCTSA-N 473.942 3.856 50 10 JHGE CCCc1nn(C)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709416 VGLQHDZHJBSVEG-HSZRJFAPSA-N 481.597 3.627 50 10 JHGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O 1865758249 QTIPUKYGYZZTHN-UHFFFAOYSA-N 474.492 3.665 50 10 JHGE CC(C)(C)OC(=O)NCCN(CCCCCBr)CCNC(=O)OC(C)(C)C 1954682554 RIJASFKUDDZYCJ-UHFFFAOYSA-N 452.434 3.903 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC([C@H](F)CBr)C1 2048038646 JHJJBCKKRSRUIT-LLVKDONJSA-N 490.936 3.859 50 10 JHGE CCCN1CCC[C@H]([C@H](Br)c2csc(I)c2)S1(=O)=O 2089519947 SJGZFZMSMUENCS-ZYHUDNBSSA-N 478.215 3.993 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H](CCl)O1 2142285698 SVXDLONIBMGRQW-SCZZXKLOSA-N 458.521 3.522 50 10 JHGE CCC[C@@H]1CN(C(=O)c2ccc(I)c(O)c2)C[C@@H]1CBr 2205700456 ALCGGAZQYCVBNF-NEPJUHHUSA-N 452.130 3.880 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC[C@@H](Cl)C2)CC1 2288066503 UYNFCEHGXNDPFG-MRXNPFEDSA-N 453.004 3.512 50 10 JHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OC(C)C)c(OC)c2)c(OC)c1 2314774448 NDMXPEXFQIGCRQ-UHFFFAOYSA-N 494.544 3.779 50 10 JHGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334840 OENUTPKRPXQUTJ-UHFFFAOYSA-N 476.426 3.536 50 10 JHGE COc1c(Br)cc(C)c(C(=O)[C@H](Br)CC(=O)O)c1Br 2339677661 DTIBSKGPLPSFIR-ZCFIWIBFSA-N 458.928 3.950 50 10 JHGE ClC[C@@H]1N(c2ncc(I)cc2Br)CC12CCOCC2 2352919779 REGRBGOJXABWGN-NSHDSACASA-N 457.537 3.673 50 10 JHGE Cc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1I 14024936 QSDUTLUMJXYJHD-UHFFFAOYSA-N 452.292 3.709 50 10 JHGE C[C@@H](CBr)N(C)C(=O)c1cc(Br)ccc1I 235091186 YTYCAOVNTQDJTH-ZETCQYMHSA-N 460.935 3.909 50 10 JHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1cc(Br)sc1Br 235615645 GTLVUCMBNSZYCY-BQBZGAKWSA-N 462.001 3.898 50 10 JHGE COc1ccc(N[C@@H](C)C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1 1084361515 LBOYLXWMMVEKHA-JTQLQIEISA-N 471.149 3.877 50 10 JHGE C=CCn1nc(C)c(C=NNC(=O)CSc2nnc(CNc3ccc(Cl)cc3)n2CC=C)c1C 1084594212 JPGOFFDRCPJFLC-UHFFFAOYSA-N 499.044 3.971 50 10 JHGE CC(=O)CCc1ccc(OCC(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1 1472512636 AVBYKFSYKSPGBZ-UHFFFAOYSA-N 459.428 3.601 50 10 JHGE C=C(C)[C@H](NC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(F)c1 1671852461 YWYGKHUNVURHTD-SFHVURJKSA-N 452.502 3.560 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Cl)cc2OCC(F)F)cc1 1671949986 WLOSDTZTXBPKOH-LBPRGKRZSA-N 455.845 3.807 50 10 JHGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1O 1865697110 XFVCTTYGMYKBQL-SFHVURJKSA-N 453.296 3.876 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNC[C@]1(C)COCCN1C(=O)OC(C)(C)C 1993386301 QUCYOKDUVLPIGO-HXUWFJFHSA-N 465.682 3.508 50 10 JHGE O=S(=O)(c1ccc(Br)c(CCl)c1)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2088570155 AIOQTEYFZPGDFW-SJORKVTESA-N 455.805 3.835 50 10 JHGE CCC(CBr)(CBr)NC(=O)Cc1ccc(O)c(Br)c1 2113227283 ZGBOPQAALPGNCH-UHFFFAOYSA-N 457.988 3.752 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H]2CC(NS(=O)(=O)c3ccc(CBr)cc3)C[C@H]2C1 2162586642 KXMFOVLOZYMPLR-GJZGRUSLSA-N 459.406 3.505 50 10 JHGE C[C@H]1[C@@H](CN(C)S(=O)(=O)c2cc(CBr)sc2Br)C1(F)F 2179789434 QKHMUVRGNZQLPD-POYBYMJQSA-N 453.168 3.927 50 10 JHGE O=C(N[C@@H](CCBr)C(F)(F)F)c1c(F)cccc1I 2267682950 JJCSPNGAHUHIKH-QMMMGPOBSA-N 453.999 3.876 50 10 JHGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc2cc(Br)cnc2[nH]1 2293823882 VKXIXBOXJRAMNQ-UHFFFAOYSA-N 470.308 3.692 50 10 JHGE COc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314620561 QOSWKGDCFWVRDV-UHFFFAOYSA-N 478.476 3.569 50 10 JHGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 2314717057 JULIGQMNHQVGIR-UHFFFAOYSA-N 490.512 3.927 50 10 JHGE COc1ncc(-n2cnc(I)c2I)c(C)c1CCl 2319611420 GNRJFLZJHSHJAU-UHFFFAOYSA-N 489.482 3.532 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2ccc(Cl)cc2I)[C@H]1Br 2340054601 AFDHCNIOOUKUOH-WDEREUQCSA-N 458.521 3.615 50 10 JHGE O=C(NNC(=O)c1ccccc1I)c1ccc(NC(=O)c2ccccc2)cc1 13982185 LJGJCMRXNYTZAX-UHFFFAOYSA-N 485.281 3.618 50 10 JHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 14029770 OXGPLJJXSBHDFH-UHFFFAOYSA-N 468.579 3.553 50 10 JHGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14668070 OQQJJMHODGHQSP-UHFFFAOYSA-N 462.344 3.906 50 10 JHGE CCOc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OCC 33591492 JLKVZCATEAWWRZ-LCJWJQHCSA-N 468.579 3.846 50 10 JHGE CCCCOc1ccc(Nc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40620031 ZCGLIVGKRDOGDB-UHFFFAOYSA-N 467.442 3.972 50 10 JHGE O=C(NNc1ncnc(NCCc2cccs2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657937 GVKIRAWGKZEGMT-UHFFFAOYSA-N 463.317 3.620 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@@H](Br)C1 125467983 ICSAPHUEACXTGC-SECBINFHSA-N 462.001 3.760 50 10 JHGE CCCCOc1c(OC)cc(/C=N\NC(=O)CSc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 169886255 VPGFHYMIYOHJPJ-UUYOSTAYSA-N 457.512 3.901 50 10 JHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OC 254732974 NZOJTPNETYETMQ-UHFFFAOYSA-N 493.585 3.914 50 10 JHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1cc(Br)c(Br)s1 384489766 KDIMTMGOTWQBIF-MRVPVSSYSA-N 475.044 3.862 50 10 JHGE Cc1cc(I)ccc1N[C@H](C)C(=O)NN=Cc1cc(Cl)ccc1O 1084077662 SPKMGGCFYXNGJZ-LLVKDONJSA-N 457.699 3.909 50 10 JHGE O=C(NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1nc2ccccc2s1 1084103109 HJJAHCNJRWXXHF-UHFFFAOYSA-N 457.471 3.885 50 10 JHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=S)Nc1ccccc1)CCC2 1772751117 IJSKWSCNIXLHAS-UHFFFAOYSA-N 491.573 3.698 50 10 JHGE COc1ccc(-c2ccc(C(=O)N/N=C(/C)c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)c(C)n2)cc1 1865762752 AXTXHMXGEJKXHI-FOCLHDTISA-N 458.518 3.963 50 10 JHGE CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)sc2c1 1866127858 JGAWCPMXBKARMR-OQLLNIDSSA-N 458.540 3.915 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1ccc(Br)cc1Br 2076260557 YZGNGUMREWMIMA-APPZFPTMSA-N 462.001 3.616 50 10 JHGE CN1[C@H](COc2c(Br)cc(Br)cc2CBr)CCS1(=O)=O 2144911557 BECBAVGCVSUXII-JTQLQIEISA-N 492.027 3.519 50 10 JHGE O=C(c1ccc(I)cc1)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2163353300 NEWZJZGYDVAWBW-ONGXEEELSA-N 462.047 3.937 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](CCl)C2(CCCC2)C1 2175226940 BHRDWAWDUQHCIB-KRWDZBQOSA-N 453.004 3.514 50 10 JHGE CC(C)n1cc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1CBr 2179858723 SHCRMRDNCKRXAY-GOSISDBHSA-N 454.434 3.859 50 10 JHGE O=C(NC[C@H]1Cc2ccccc2CN1CCCCCI)C(F)(F)F 2220215328 HNYVRMYXRHRZSC-OAHLLOKOSA-N 454.274 3.697 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H]2CBr)cc1Br 2225383687 CFVUMATVZHVZFL-LDYMZIIASA-N 476.028 3.972 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)CC12CCCCC2 2241042082 XYFYZMBTWJVIMK-QGZVFWFLSA-N 497.455 3.955 50 10 JHGE CC(C)[C@H](CI)NC(=O)c1c(F)cccc1I 2247967606 KVCDNDDYAWQZOG-JTQLQIEISA-N 461.056 3.620 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@H]2O[C@H]3CC[C@H]2C3)C1 2307434979 QZLMBEFOLNLMNW-AFIMGQEJSA-N 451.345 3.775 50 10 JHGE COc1ccc(N2N=C(c3ccccc3)C(=C(C)NNC(=O)c3cc(OC)cc(OC)c3)C2=O)cc1 2313682532 FIQNPVQBJZOASQ-UHFFFAOYSA-N 486.528 3.672 50 10 JHGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313860894 WDOPNCLISSRSHJ-UHFFFAOYSA-N 470.551 3.903 50 10 JHGE CCOC(=O)[C@@H]1CCCN(C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 2324605375 UCUZDWVYTVELJF-RUZDIDTESA-N 486.616 3.603 50 10 JHGE C/C(=N\NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1cccs1 58991677 JWSSPNCGCMUQJR-CIAFOILYSA-N 479.429 3.896 50 10 JHGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 206828833 VLINZBJILKNKQK-YVLHZVERSA-N 475.570 3.866 50 10 JHGE O=S(=O)(NCCCCCI)c1ccc(Cl)c(Br)c1 229236912 HVMVPOIZSMJVKB-UHFFFAOYSA-N 466.566 3.986 50 10 JHGE CCOc1ccc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 254743787 IZUPKWOBEJKVMG-UHFFFAOYSA-N 462.531 3.683 50 10 JHGE O=S(=O)(c1cc(CCl)ccc1Br)N1CC2(CN(Cc3ccccc3)C2)C1 706222551 KGCFLALURSGHAZ-UHFFFAOYSA-N 455.805 3.694 50 10 JHGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc3ncccn3)c2C)cc1 788772860 BXBXITWMKHWTDN-WRDGEJPTSA-N 459.506 3.760 50 10 JHGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)c1 1084644449 NVGCYCZCRICJEL-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE C=C[C@@H](CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccccc1 1624901063 DXAKWBDAIYYRJQ-FQEVSTJZSA-N 452.518 3.509 50 10 JHGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc([N+](=O)[O-])c1O 1772755871 UCSMVKPFDQZKPX-UHFFFAOYSA-N 466.288 3.724 50 10 JHGE O=C(N[C@H](CCl)C[C@@H]1CCCO1)c1ccc(I)c(Br)c1 1926720606 ITDOYMMUSAWCOP-QWRGUYRKSA-N 472.548 3.960 50 10 JHGE Cc1nc(C)n(CCO[C@](C)(CI)CNC(=O)OC(C)(C)C)c1C 2012484978 LXHSFLOACGOXSH-QGZVFWFLSA-N 451.349 3.543 50 10 JHGE Cc1cc(C(=O)N2C[C@@H](Br)[C@H](Br)C2)ccc1I 2026132027 CNMUKFLMMCYRRC-NXEZZACHSA-N 472.946 3.582 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CC=C[C@@H](Br)C1 2046504549 UOSBVBKNCTWOAX-SECBINFHSA-N 459.985 3.536 50 10 JHGE O=C(NN=C1C[C@@H]2CC=C[C@H]12)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 2059868386 RZOPDSWWKMTYDA-KSSFIOAISA-N 460.353 3.932 50 10 JHGE Cc1sc(C)c(S(=O)(=O)N2CCC(CI)CC2)c1Br 2098620679 DRCWYYHIIMOPHE-UHFFFAOYSA-N 478.215 3.963 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@H](CBr)C12CCC2 2190362542 GBDPRRREUVWGJX-LLVKDONJSA-N 450.114 3.777 50 10 JHGE COC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 2294522370 KHWGXOYKHRFFKB-AWEZNQCLSA-N 473.323 3.794 50 10 JHGE CC1(NC(=O)OCc2ccccc2)CCC(NC[C@H]2C[C@H](Br)C2)(C(=O)O)CC1 2321858685 BAZGOFVNDTXXRZ-QHGDOQTNSA-N 453.377 3.832 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CCC[C@]2(CBr)C1 2364021817 JTSNVDFBAQZZJJ-OQPBUACISA-N 470.003 3.582 50 10 JHGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 12403524 XZOGZFBNRBOELX-UHFFFAOYSA-N 463.372 3.914 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13979663 DMGGPRYNSDPSML-UHFFFAOYSA-N 482.762 3.927 50 10 JHGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016404 FFYYVOPIMUTUTC-UHFFFAOYSA-N 483.634 3.966 50 10 JHGE Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 15857761 FQOIHBIBJUBMOX-CJTWTEFWSA-N 456.905 3.660 50 10 JHGE C=CCc1ccccc1OC[C@H](O)CNC1(C)CCC(C(C)(C)NC(=O)CBr)CC1 29411829 UAXZWLFRPNDCMX-ITGJCUMNSA-N 481.475 3.983 50 10 JHGE in-vitro C/C(=N/NC(=O)CC(=O)N/N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1 32694142 LTBUAAUUFHBBPF-SEKXJNOLSA-N 494.187 3.982 50 10 JHGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816227 SLFJXFMSHLJUEO-TURZUDJPSA-N 475.501 3.847 50 10 JHGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)cc(Br)c1O 58886953 XOEDATPOPAIZRD-RKQRPNFGSA-N 456.134 3.881 50 10 JHGE CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1ccc2c3c(cccc13)CC2 59464007 IHOIPHVXXYZNOV-ZMOGYAJESA-N 486.391 3.617 50 10 JHGE Cc1ccc(NC(=S)N(CCO)/N=C(/CBr)c2ccc([N+](=O)[O-])cc2)cc1 83319692 GCRIJTLXESZOHC-FXBPSFAMSA-N 451.346 3.694 50 10 JHGE O=C1[C@H](Br)CCCN1c1ccc(I)c(Br)c1 300923282 ZTOGNVFPNWFOSQ-MRVPVSSYSA-N 458.919 3.944 50 10 JHGE COc1cccc2c1OCC[C@@H]2NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726273549 FQAJUPAYWSLALC-FQEVSTJZSA-N 465.481 3.881 50 10 JHGE O=C(NN=Cc1cnn2ccccc12)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 729634053 XSMPCVSVSSEEKK-UHFFFAOYSA-N 487.463 3.918 50 10 JHGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NN(C)c2ccccn2)c1 1147923734 IHXBQHKMCCTVLK-UHFFFAOYSA-N 456.955 3.898 50 10 JHGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1ccc(Br)cc1 1448292657 WRAJIJPAEHXUJN-HNNXBMFYSA-N 455.353 3.851 50 10 JHGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1O 1865683251 BJPHEFKCQZSWTB-SFHVURJKSA-N 453.296 3.876 50 10 JHGE C[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)Nc1ccc(SC#N)cc1 1866873450 RSIKACSOZNDTFY-DNVCBOLYSA-N 453.593 3.741 50 10 JHGE Cc1nc(-n2c(C)nc(I)c2I)ccc1CCl 1941543928 HNVCTDYNWCPPCA-UHFFFAOYSA-N 473.483 3.832 50 10 JHGE O=C(NCCOCCCI)c1ccc(I)c(Cl)c1 2042204622 VHOAPMMGZMGIGW-UHFFFAOYSA-N 493.510 3.516 50 10 JHGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NCC2(CBr)CCOCC2)C(C)(C)C1 2132804380 JBQUUHCCPCPUQD-AREMUKBSSA-N 453.443 3.675 50 10 JHGE O=C(NCCN1CCC(Br)CC1)c1c(Br)cccc1Br 2150493008 HNSQOVMVBAYCJX-UHFFFAOYSA-N 469.015 3.801 50 10 JHGE CCCN1CC[C@H]([C@H](Br)c2cc(I)ccc2F)S1(=O)=O 2169658274 FMOCJPIMKYDFLS-CHWSQXEVSA-N 476.149 3.680 50 10 JHGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)Cc3cc(Br)cc(Br)c3)[C@@H]2C1 2277950309 URARNOCTGYIROH-YVECIDJPSA-N 473.024 3.808 50 10 JHGE COc1ccc(C=C(C#N)C(O)=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 2297398987 IOKDLOXZSHOAAV-UHFFFAOYSA-N 454.490 3.512 50 10 JHGE O=C(NN=Cc1cccc(Cl)c1Cl)[C@H](Sc1nnc(O)nc1O)c1ccccc1 2323176700 ADQZLZJGTAMCDZ-CQSZACIVSA-N 450.307 3.573 50 10 JHGE N#CC(=CNCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1Sc1ccccc1 2325338868 DEORLFBIGZSUGZ-UHFFFAOYSA-N 464.572 3.621 50 10 JHGE CCCOc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 2325885262 IJDRNYIYSKXHSH-INIZCTEOSA-N 480.590 3.547 50 10 JHGE COCCn1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c2cc(OC)ccc21 2328801198 YTRYWKBIWURZTL-UHFFFAOYSA-N 460.575 3.832 50 10 JHGE C[C@@H]1CC(O[C@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)S1(=O)=O 2352579899 PBSPRXSKQPDOJL-LBTNJELSSA-N 454.427 3.522 50 10 JHGE CC(C)[C@H](Br)C(C)(C)CN(C)C(=O)c1cnn(C)c1I 2365889392 VXSFFTKNQWZBMZ-NSHDSACASA-N 456.166 3.542 50 10 JHGE CC(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)OCCc2ccccc2)c(Br)c1 14010994 LNKKHZKWTBWATM-UHFFFAOYSA-N 491.382 3.665 50 10 JHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 14039017 HRSUAOQFNLHREE-UHFFFAOYSA-N 463.559 3.855 50 10 JHGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 14660346 DQVCMMSUXQGJJV-UHFFFAOYSA-N 494.411 3.568 50 10 JHGE O=C(Cn1ccc2ccccc21)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14776610 WTXDXECACCBEMS-UHFFFAOYSA-N 472.570 3.599 50 10 JHGE CCCCN1C(=O)/C(=N/NC(=O)COc2ccc(Br)cc2)c2cc(OC)ccc21 33959368 NLPFRROSUJBZCQ-HIXSDJFHSA-N 460.328 3.504 50 10 JHGE O=C(NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658068 GMJOYWHZBZMZFH-UHFFFAOYSA-N 479.331 3.692 50 10 JHGE O=C(Cc1c[nH]c2ccccc12)NN=C1CCC(=NNC(=O)Cc2c[nH]c3ccccc23)CC1 59502102 HNXGZDMFNQNHBA-UHFFFAOYSA-N 454.534 3.953 50 10 JHGE C=CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)ccc1Cl 100720897 HTPFGHVUGZJXGF-QGOAFFKASA-N 480.904 3.917 50 10 JHGE Cc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 103865723 CVSPHFIKVXRQKZ-LXILOYNZSA-N 494.511 3.698 50 10 JHGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 1858683280 ISKPZEQHDUKZKN-UHFFFAOYSA-N 453.367 3.526 50 10 JHGE COC(=O)c1c(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)sc(/C(C)=C/C#N)c1C 1873428005 HWKZNELUTRKVHB-IZZDOVSWSA-N 459.911 3.788 50 10 JHGE O=C(NCC=CCBr)c1cc(I)ccc1Br 1982997562 GWCWNXCDNUMVGV-UHFFFAOYSA-N 458.919 3.735 50 10 JHGE CCCCOCCOCCO[C@](C)(CI)CNC(=O)OC(C)(C)C 2010595396 VSMZJJPMUVRCOI-QGZVFWFLSA-N 459.365 3.555 50 10 JHGE N#CCc1ccc(I)c(I)c1CBr 2060168264 IVWUHQVFISKQLR-UHFFFAOYSA-N 461.866 3.857 50 10 JHGE C[C@@H]1[C@@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C2CCN1CC2 2077344805 YECBCHAGDAFFSY-IDHHARJASA-N 464.388 3.690 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](Cl)C(F)(F)C2)cc1Br 2152096917 BOSUBFXZCZUAQJ-JTQLQIEISA-N 453.530 3.767 50 10 JHGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CCBr)cc1 2179776947 YOIKVIZORQNSAI-FQEVSTJZSA-N 451.430 3.767 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N(CC(F)F)CC(F)F 2179792414 FSUDWSBTBHRZFA-UHFFFAOYSA-N 463.110 3.926 50 10 JHGE O=C(c1cc(I)ccc1F)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2190669726 FNXWVXWPUTXQAX-YPWHJJHSSA-N 456.068 3.909 50 10 JHGE CC(C)(C)OC(=O)N1CC(c2cnc(NS(=O)(=O)CCC(CCl)CCl)s2)C1 2201911284 VFCHPEZMCYFKLS-UHFFFAOYSA-N 458.433 3.703 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)Cc2cc(Br)cc(Br)c2)C1 2295308998 DFTAANFQZVCQST-QWHCGFSZSA-N 469.999 3.765 50 10 JHGE O=C(c1cc(Br)cc(Br)c1)N1C[C@@H]2OCC[C@]2(CBr)C1 2296362790 ZSAPONKGRNHEGO-JSGCOSHPSA-N 467.983 3.838 50 10 JHGE C=CCNC(=O)C(C#N)=Cc1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(OCC)c1 2297381974 HPXIHNYWHWWUTF-UHFFFAOYSA-N 465.462 3.648 50 10 JHGE Clc1ccc(CNCCOCCCI)cc1I 2300242487 KZWHIRVMOFVGEL-UHFFFAOYSA-N 479.527 3.876 50 10 JHGE CCN(CC)CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)cc1 2329702720 QURZDJJYRXCUBI-UHFFFAOYSA-N 451.523 3.748 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355843086 AMKFSCSQJSMGFA-ZWKOTPCHSA-N 453.402 3.911 50 10 JHGE CC(C)(CCl)[C@@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364216253 ZFPAEOPDXOAVKB-IBGZPJMESA-N 455.020 3.902 50 10 JHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1 14030650 ZCSOKXFQJRBZKU-KRWDZBQOSA-N 457.596 3.949 50 10 JHGE CCOC(=O)c1sc(NC(=O)N/N=C\c2cccc(OC)c2OC)c(C(=O)OCC)c1C 40840281 JBYJNWFPMVJZCF-JJFYIABZSA-N 463.512 3.583 50 10 JHGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 252619087 LMDGOJQQDVLYSY-UHFFFAOYSA-N 458.971 3.664 50 10 JHGE CCOC(=O)[C@@H](Br)Cc1ccc(I)cc1Br 300911859 ROUSNRMDAFZQSJ-JTQLQIEISA-N 461.919 3.923 50 10 JHGE CO[C@]1(CBr)CCN(C(=O)c2cc(Br)c(Br)s2)C1 401588742 PGALHHDWJNDYCH-NSHDSACASA-N 462.001 3.899 50 10 JHGE C[C@@H](Cl)c1cnnn1-c1cc(I)cc(I)c1 690364938 AKZNLMLWGRPFGD-ZCFIWIBFSA-N 459.456 3.776 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCC2(N3CCSCC3)CCCC2)c(-c2ccccc2)n1 915200663 HTYYRDQEHKAFRH-OQKWZONESA-N 474.634 3.849 50 10 JHGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)Nc2ccc(N3CCCC3)cc2)cc1 920851056 HQVCJKRUSMGWSP-SILNSSARSA-N 484.560 3.580 50 10 JHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc(C)c1 1084222069 VQYSVUAPVSJDCH-UHFFFAOYSA-N 490.398 3.518 50 10 JHGE CN(CCBr)CCN(C)C(=O)c1csc(Br)c1Br 2032956237 NOUXWURHMSUYDM-UHFFFAOYSA-N 463.033 3.672 50 10 JHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1cc(Br)c(Br)s1 2036678808 HPNOSQWHFAGIFP-RNFRBKRXSA-N 462.001 3.945 50 10 JHGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC[C@@H](I)C1 2084167310 ZMHKATBANFVLDI-SSDOTTSWSA-N 484.968 3.954 50 10 JHGE CCCN1CC[C@H]([C@H](Br)c2ccc(I)cc2)S1(=O)=O 2089534456 GAQNNRAVRJACKX-CHWSQXEVSA-N 458.159 3.541 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@](CNC(=O)N2CCC(Br)CC2)(C(F)(F)F)C1 2167677434 KSQIJQZMIJGRHK-MRXNPFEDSA-N 458.319 3.745 50 10 JHGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(CBr)cc1 2179786843 GVBSMEOHGVRBBM-OAQYLSRUSA-N 451.430 3.865 50 10 JHGE C[C@H](Cl)C[C@@H]1COCCN1C(=O)c1cc(I)ccc1Br 2185317947 IDVHKHFUOSWHTD-GXSJLCMTSA-N 472.548 3.912 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCO[C@@H]2C[C@H](Cl)C[C@H]21 2185325996 OZCJAJAFBFWMLG-BZHVJNSISA-N 470.532 3.665 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2233853902 PCOUZYJUGYARCM-UWVAXJGDSA-N 497.455 3.668 50 10 JHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(C)c1 2268649881 GIDMPAKLMIYICJ-MRDQGFSESA-N 486.377 3.567 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C2(CCC2)C1 2279114113 AIKLJGYVLDXTBY-INIZCTEOSA-N 459.406 3.649 50 10 JHGE O=C(N[C@H]1CCCN(CCBr)C1)c1ccc(Cl)c(I)c1 2283652473 VOTWRFJFLLDESF-NSHDSACASA-N 471.564 3.534 50 10 JHGE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CSCc1cc(Br)cc(C(=O)NN)c1 2288736755 ANYHXAIEBOWEFP-BLLLJJGKSA-N 458.422 3.931 50 10 JHGE CC(C)(C)C[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338848919 BKBRYMMECKELAW-MRXNPFEDSA-N 487.460 3.962 50 10 JHGE CC(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338851080 CPPQATRPFRKXQV-RBUKOAKNSA-N 485.444 3.667 50 10 JHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2ccc(Cl)cc2I)C1 2340049857 KOVJZIFPFWMHLG-ZJUUUORDSA-N 458.521 3.569 50 10 JHGE O=C(c1ccc(Cl)cc1I)N1CC[C@]2(C[C@H](Br)CO2)C1 2365587438 XNPMLDCBPDDZTK-XPTSAGLGSA-N 470.532 3.713 50 10 JHGE O=C(/C=C/c1cccs1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13979423 HZBRTRWUPCCOIQ-OUKQBFOZSA-N 456.593 3.616 50 10 JHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2)cc1Br 14647831 DIEXEQPRTOWZQZ-UHFFFAOYSA-N 494.411 3.515 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c(Br)c1 14832320 GPXXWTAPODLOAY-CYBMUJFWSA-N 465.344 3.820 50 10 JHGE Cc1sc2[nH]c(SCC(=O)N/N=C/c3ccc(O)cc3)nc(=O)c2c1-c1ccccc1 19646006 XMFPBDDKLRBCAC-FOKLQQMPSA-N 450.545 3.908 50 10 JHGE COc1ccc(/C(C)=N/NC(=O)CCC(=O)Nc2ccc(I)cc2)c(OC)c1 27498155 WSBLVQPKCADTOQ-YDZHTSKRSA-N 495.317 3.568 50 10 JHGE C=CCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3cccc(C)c3)c3ccccc31)C(C#N)=C(N)O2 39919103 OFVLFKLYJLUYRH-MUUNZHRXSA-N 464.525 3.570 50 10 JHGE Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825724 AQSHYCLQSFRSKA-TWKHWXDSSA-N 453.502 3.932 50 10 JHGE CC(C)O[P@](=O)(F)OCCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 72399442 KDPHOPZAOAVYRV-AAAGVLIMSA-N 467.544 3.908 50 10 JHGE in-vitro COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c1 101341072 SKZCWIYYAQVWQQ-BUVRLJJBSA-N 496.523 3.703 50 10 JHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1C(C)C 207216503 BTJREPPLOTZJFW-ZHZULCJRSA-N 464.518 3.569 50 10 JHGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)cc1 1084027281 KLEVNDPZBXUQJR-UHFFFAOYSA-N 466.607 3.936 50 10 JHGE C/C(=C\C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1C(F)(F)F 1465303410 GRYOLVLGZHMHJU-BUHFOSPRSA-N 455.477 3.903 50 10 JHGE C#CCn1ccc(CN(CCOC)C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)n1 1524967671 DAZHFEHVXPRKKV-JJIBRWJFSA-N 455.562 3.814 50 10 JHGE C=CCn1c(S[C@H](C)C(=O)NNC(=O)CC)nc2scc(-c3ccc(C)cc3)c2c1=O 1643334016 JZMZQHVPXSQCLX-CQSZACIVSA-N 456.593 3.657 50 10 JHGE COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c(Br)c1O 1873794779 AITTZLQGAWSGIW-CBFMJHRQSA-N 492.370 3.749 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC=C[C@@H](Br)C1 2000851526 MFQGTNPLFMVTRG-SECBINFHSA-N 470.930 3.829 50 10 JHGE CCCCCC[C@@H]1[C@H](C[C@H](O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080455844 PWYXBNKHHZEXDU-NQFZRNAASA-N 460.567 3.722 50 10 JHGE CCN1CCC[C@@H]([C@H](Br)c2cccc(C)c2I)S1(=O)=O 2145762365 UBGXEOUQLKXLPV-QWHCGFSZSA-N 472.186 3.850 50 10 JHGE Cc1cc(S(=O)(=O)N2CC[C@H](CBr)C(F)(F)C2)sc1Br 2146374365 BTTLVUYIRUALCK-MRVPVSSYSA-N 453.168 3.860 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C2(CC2)C1 2163057994 GYTJSBMHFVVYOC-HNNXBMFYSA-N 459.406 3.792 50 10 JHGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H](CCCl)O1 2179378154 ZTTYLUWCCVXQGK-MWLCHTKSSA-N 472.548 3.912 50 10 JHGE O=C(c1c(Br)cccc1Br)N1C[C@@H]2COC[C@]2(CBr)C1 2234565757 IHQBAVPANVXXOJ-OTYXRUKQSA-N 467.983 3.695 50 10 JHGE COC[C@](C)(CBr)CNC(=O)c1ccc(Cl)c(I)c1 2268342948 HVWVXDOXLIVIKQ-CYBMUJFWSA-N 460.537 3.722 50 10 JHGE CC(C)C[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824927 AENMJMRXZFSYID-INIZCTEOSA-N 473.433 3.572 50 10 JHGE CC(C)[C@H](CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825150 BGZAPHMANLOXAS-SFHVURJKSA-N 473.433 3.572 50 10 JHGE CCCCCN1C(=O)C(=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21 2320479856 UPVIQPWNNKIHDY-MRXNPFEDSA-N 491.617 3.640 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@@]1(C)CCN1C(=O)OC(C)(C)C 2325069807 HPEBPKWQUIAHQZ-RTWAWAEBSA-N 493.692 3.725 50 10 JHGE C[C@@]1(CBr)CCCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338851296 YHFJPBMXEQJQTM-NRFANRHFSA-N 485.444 3.812 50 10 JHGE Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1I 14031657 SDVZJHDKNJBNGV-CQSZACIVSA-N 474.298 3.981 50 10 JHGE Cn1cc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c2ccccc21 24476652 KXXADVWIEFZRPG-IBGZPJMESA-N 454.530 3.645 50 10 JHGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38687308 QUKDBAGSMXCCOK-DNQXCXABSA-N 456.454 3.659 50 10 JHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38687375 PCJQILNDMSEZJX-RPWUZVMVSA-N 456.454 3.659 50 10 JHGE O=C(N/N=C1/C(=O)N(CCOc2ccccc2)c2ccccc21)c1cc(Br)ccc1O 40137421 UZVILUWOFNCXDI-NJNXFGOHSA-N 480.318 3.714 50 10 JHGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-] 40658754 LKNAJBUUKJADDN-UHFFFAOYSA-N 472.461 3.849 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)Cn2cnc3cc(C)c(C)cc32)cc1 59167549 QULGHLNWVLYFNR-MZJWZYIUSA-N 476.558 3.880 50 10 JHGE N#CC(C(=O)COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)=C1Nc2ccccc2N1 103420838 BHTVGUHQFZGLGR-MDZDMXLPSA-N 456.380 3.742 50 10 JHGE CC(=NNC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc2c(c1)OCO2 254464117 YBJDNFZBQVXMON-IRXDYDNUSA-N 451.523 3.738 50 10 JHGE CCOc1ccc(C=NNC(=O)c2ccc(F)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254706446 VPHJKTKQHZWNBZ-IRLDBZIGSA-N 488.563 3.769 50 10 JHGE CCN(CC)c1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 254750047 KOKPGMSGRWFYES-UHFFFAOYSA-N 463.582 3.684 50 10 JHGE C[C@@H](Br)Cc1cn(-c2cc(I)ccc2Br)nn1 709379008 ZECJWQMYWFVXEI-SSDOTTSWSA-N 470.934 3.960 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCS[C@@H](CBr)C1 720046589 SCYWBJUQQSGCAT-VIFPVBQESA-N 494.068 3.713 50 10 JHGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2)c1C)S(C)(=O)=O 1084472202 BADDZHZSBVYOIT-UHFFFAOYSA-N 452.580 3.627 50 10 JHGE O=C(COc1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1F)Nc1cccc([N+](=O)[O-])c1 1858684461 XTLPWLLHBNPMMS-UHFFFAOYSA-N 471.357 3.666 50 10 JHGE CCC(CC)[C@@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029232378 HXIYXEKBEZWFQB-SFHVURJKSA-N 473.433 3.572 50 10 JHGE COC(=O)Cc1cc(I)cc(OC(F)(F)F)c1CBr 2055375970 WUDXHXGFKIANMY-UHFFFAOYSA-N 452.992 3.800 50 10 JHGE CCN(C[C@](C)(CI)OC[C@@H]1COC(C)(C)CO1)C(=O)OC(C)(C)C 2059309767 DUUDRIQOVJRWQG-KSSFIOAISA-N 471.376 3.648 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1cccc(Br)c1Br 2092339429 DNZGGZSWKVEKHZ-DTWKUNHWSA-N 455.972 3.836 50 10 JHGE Cl[C@H]1COC2(CCN(c3ncc(I)cc3Br)CC2)C1 2133373745 SNOKPLIKQSBSFK-SECBINFHSA-N 457.537 3.815 50 10 JHGE O=S(=O)(c1cc(CCl)sc1Br)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2153994975 FZUFJUKDNFOZDI-JKSUJKDBSA-N 491.860 3.523 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Cl)C[C@@H]21 2167011679 OUNGPNAPWWKFFM-MDZRGWNJSA-N 453.004 3.511 50 10 JHGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1CBr 2179857586 BJSPXMFCIVZCEM-SFHVURJKSA-N 454.386 3.960 50 10 JHGE O=C(Cc1ccccc1I)N1CC[C@H](C(F)(F)CBr)C1 2197769284 WDJOVJOLSSUPGE-NSHDSACASA-N 458.084 3.712 50 10 JHGE C[C@]1(CBr)CC(F)(F)CN1S(=O)(=O)Cc1ccsc1Br 2234500656 IFYQKBLOCFXNGA-SNVBAGLBSA-N 453.168 3.835 50 10 JHGE C=CC[C@@]1(CCl)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2287761621 YKWQKPODLKBTPF-QFIPXVFZSA-N 453.004 3.536 50 10 JHGE N#CC(=Cc1c[nH]nc1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2295631720 BKEJSTKXPCOMCV-UHFFFAOYSA-N 476.543 3.880 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H](CN(CCOCCI)C2CC2)C1 2306800338 VZDRGYZHRPMLKW-OAHLLOKOSA-N 452.377 3.550 50 10 JHGE Cc1csc2nc(Cl)c(C=NNC(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)n12 2325903756 CRFBOBBTMRWAHY-UHFFFAOYSA-N 482.978 3.946 50 10 JHGE CC1(C)C[C@@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338851417 FEFQGNARWZQQGO-INIZCTEOSA-N 485.444 3.668 50 10 JHGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2C[C@@H]1C(F)(F)C2 2355843124 CHVMVROGUACKND-IMTBSYHQSA-N 451.152 3.824 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CCCC[C@@H]1CCl 2364216421 OABKQKUPOJDNPJ-MSOLQXFVSA-N 455.020 3.808 50 10 JHGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 10295779 RXGPQTXXMWPMPP-ZDUSSCGKSA-N 464.385 3.884 50 10 JHGE COc1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)C/C2=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 105636655 HBJXUHHURQTFMX-WGJUPDSQSA-N 497.473 3.575 50 10 JHGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(CCc3ccc(OC)cc3)CC2)c1C 109297571 FVQDDXLIAYVLQJ-BKFIETJDSA-N 464.610 3.615 50 10 JHGE COc1cc(/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214425091 URVAEJXTEDJUNS-XKZIYDEJSA-N 474.513 3.738 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1 254865320 GYOFTPJPUBLXJV-UHFFFAOYSA-N 474.542 3.645 50 10 JHGE O=C(Cl)c1nc(I)c(OC(F)(F)F)cc1I 396179410 LHDVJEGMYNSJCD-UHFFFAOYSA-N 477.345 3.568 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NS(=O)(=O)c3ccc(CBr)cc3)C[C@H]1C2 1260503695 NQEANWWXMPKLND-ARFHVFGLSA-N 459.406 3.648 50 10 JHGE COc1cc([C@H](C)NC(=O)NNC(=O)c2cncn2-c2ccccc2)ccc1OC1CCCC1 1317880893 DIDOBWVFOLFAOB-KRWDZBQOSA-N 463.538 3.908 50 10 JHGE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)c1ccc[nH]1 1463737254 MBJYGNCDFJPWIN-HSZRJFAPSA-N 458.518 3.649 50 10 JHGE CC#CCCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1546230167 KLJBVOUARLOMMU-ATVHPVEESA-N 453.449 3.510 50 10 JHGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccn2)CCC3)cc1 1772746586 DQNSLUJGBIUQMB-UHFFFAOYSA-N 460.490 3.882 50 10 JHGE CCOC(=O)c1cc(OC(F)(F)F)nc(I)c1CBr 1848387550 DGXJLFHJKOQWCM-UHFFFAOYSA-N 453.980 3.656 50 10 JHGE Cc1ccc(CCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771246 OFXHANLOFPEHRI-SJORKVTESA-N 466.607 3.623 50 10 JHGE COc1cc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)ccc1[N+](=O)[O-] 1860823158 VJDMPYGBXVARHW-DAFNUICNSA-N 464.865 3.938 50 10 JHGE C[C@@H](Br)[C@H](NC(=O)c1cc(I)ccc1F)C(F)(F)F 1882675962 WGVFAUXHUJTOLA-ANLVUFKYSA-N 453.999 3.874 50 10 JHGE CC1(C)CC[C@H](Cl)[C@H](CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1927052273 AGUFHHROGSLHGM-LPHOPBHVSA-N 455.020 3.806 50 10 JHGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1960074753 UBRRFBNSNYVXJO-MBSDFSHPSA-N 480.989 3.860 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CC[C@@H](I)C1 1994516469 RAWCEDRLSQOOHM-MRVPVSSYSA-N 458.919 3.861 50 10 JHGE CCCN1CC[C@@H]([C@H](Br)c2csc(I)c2)S1(=O)=O 2029065702 JPEYZDDDTFBOPO-GXSJLCMTSA-N 464.188 3.603 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC[C@H](Br)C1 2107487980 VVSHOXLDNNPQEA-CVEARBPZSA-N 485.444 3.572 50 10 JHGE C[C@](CBr)(NC(=O)c1cc(I)sn1)c1ccccc1 2120027054 SOVWQQWFSISACD-CYBMUJFWSA-N 451.127 3.788 50 10 JHGE Cc1cc(C(=O)N2CC[C@@H](OCCCBr)C2)ccc1I 2207108630 XVAZZLQIAJWUJI-CYBMUJFWSA-N 452.130 3.616 50 10 JHGE CC1(C)CN(C(=O)c2ccc(Br)cc2I)C[C@H](CCl)O1 2207272576 PSNZOTAETKUPSU-JTQLQIEISA-N 472.548 3.912 50 10 JHGE Cc1ccc(C(=O)N[C@H](CBr)C[C@H]2CCCO2)cc1I 2232824108 VASOMBVAVDSFFQ-QWHCGFSZSA-N 452.130 3.662 50 10 JHGE CN([C@@H](CCBr)C(F)(F)F)S(=O)(=O)Cc1ccsc1Br 2234498003 UUYBELPEYIQGRZ-QMMMGPOBSA-N 459.147 3.988 50 10 JHGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@@]21CCC[C@@H](CI)O1 2249364211 MXBLOYCOCPMASL-CIBFVHANSA-N 451.345 3.679 50 10 JHGE CC(C)(CI)CN(CC1CCOCC1)C1CN(C(=O)OC(C)(C)C)C1 2326670575 WJIXNXGQWJHUDF-UHFFFAOYSA-N 466.404 3.796 50 10 JHGE ClC[C@@H]1CO[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]12 2349830922 AHTGIVXNPLCJNP-UHIISALHSA-N 456.549 3.739 50 10 JHGE C[C@]1(NC(=O)c2cc(I)sn2)C[C@H]2CC[C@H]1C[C@@H]2Br 2352769184 UMLQUWSWJXETLM-LWIGBJQBSA-N 455.159 3.820 50 10 JHGE O=S(=O)(c1sccc1Br)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361446640 PBLFPGSCMVBRRQ-XPUUQOCRSA-N 457.131 3.990 50 10 JHGE CCc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14039929 PJVZGSGCIVOYPS-GFCCVEGCSA-N 455.736 3.659 50 10 JHGE Cc1c(C(=O)NC2CCCC2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822863 KNEWCFKJJVFMHI-PCLIKHOPSA-N 459.344 3.888 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594721 NAOZICDIVGZXCS-NLRVBDNBSA-N 464.909 3.787 50 10 JHGE COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc2[nH]c(Cc3ccccc3)nc2c1 169925808 UEKUFSKHEGLEMA-QFEZKATASA-N 459.462 3.843 50 10 JHGE Nc1ccccc1C(=O)NN=C(C(=NNC(=O)c1ccccc1N)c1ccccc1)c1ccccc1 252595848 CEBRZXKOIWRFMF-UHFFFAOYSA-N 476.540 3.819 50 10 JHGE CC[C@@H](C)c1ccc(NC(=O)CC(C)=NNC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1 254514416 NBFWNNNXXLXAQN-OAHLLOKOSA-N 454.527 3.677 50 10 JHGE CO[C@]1(CBr)CCCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C1 403045864 VTALSGPQGKTGHC-NSHDSACASA-N 467.632 3.729 50 10 JHGE C[C@H](NC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc2c(c1)CC(=O)N2C 728398768 FYAWDZNPHMGZFL-INIZCTEOSA-N 476.508 3.629 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](CI)C1 1614701135 HORFXXKKDCFIHA-GWCFXTLKSA-N 477.255 3.889 50 10 JHGE COC(=O)c1c(NC(=O)c2oc3c(c2C)C(=NNC(N)=O)CC(C)(C)C3)sc2c1CCCC2 1772729273 KQUFSKMSNQKHKZ-UHFFFAOYSA-N 472.567 3.912 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1CC=C[C@H]1CBr 2007525359 ZLGPQIWKVXTUPR-VIFPVBQESA-N 470.930 3.829 50 10 JHGE C[C@H](CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)N1CCCC1 2013716619 UVFXHSODOOIYOC-QAPCUYQASA-N 452.377 3.692 50 10 JHGE Cc1ccc(N2C(=O)C(=CNNC(=O)COc3cc(C)cc(C)c3)c3ccccc3C2=O)cc1 2042445321 HWJQUGGVWYZDRO-UHFFFAOYSA-N 455.514 3.840 50 10 JHGE CCN(C[C@](C)(CI)OCCC(COC)COC)C(=O)OC(C)(C)C 2067240985 NXMBQQNLZXQEHY-SFHVURJKSA-N 473.392 3.753 50 10 JHGE CN(C)CCN(CCBr)C(=O)c1cc(Br)ccc1Br 2099354879 DBGHFZNSTABDQQ-UHFFFAOYSA-N 457.004 3.610 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2Br)C[C@@H]1Br 2130824376 RAIBGASYOPOWGD-KPXOXKRLSA-N 455.972 3.882 50 10 JHGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2132361603 BGXRCBWCRCTGAU-WMZOPIPTSA-N 455.443 3.846 50 10 JHGE O=S(=O)(c1cc(Br)cs1)N1CC[C@](CBr)(C(F)(F)F)C1 2167689257 DKGXMSOVOUSZIL-SECBINFHSA-N 457.131 3.849 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CC[C@]2(C[C@@H](Cl)CO2)C1 2201782181 WMMFBGPGILCUNK-OTYXRUKQSA-N 470.532 3.666 50 10 JHGE C[C@@H](Br)[C@H]1CN(C(=O)c2ccc(Cl)c(I)c2)CCO1 2268358759 MDEHDTKWBVRKMJ-PRHODGIISA-N 458.521 3.569 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(CCOCCI)C2(CCCCC2)C1 2306800076 UCHHBIVBHNCAFF-OAHLLOKOSA-N 452.377 3.740 50 10 JHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 2313619203 NSORUTWVMCGTHG-CYBMUJFWSA-N 452.363 3.804 50 10 JHGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 2313860842 RMCPMHLMBWHBKP-UHFFFAOYSA-N 476.514 3.523 50 10 JHGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2336332676 YSFJUZNFKNBPCD-PRLABOORSA-N 456.324 3.854 50 10 JHGE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2369430494 DMGWTXGERRKCLS-MRXNPFEDSA-N 457.346 3.552 50 10 JHGE CC1CCC([C@H](CCl)NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2379729559 LEJGHDUSTWAYIP-RJYAGPCLSA-N 455.020 3.662 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)/C=C/c1ccccc1 12483668 NVOJYHUXILRRPU-BQYQJAHWSA-N 468.145 3.760 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)cc(OC)c2OC)cc1 58894569 UOUSWVNWGWHGJF-ZMPUUUETSA-N 465.344 3.829 50 10 JHGE Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 59246468 ZPYFWPZJHLGVGS-WGOQTCKBSA-N 493.589 3.936 50 10 JHGE Cc1ccc(C=NNC(=O)CSc2nnc(CNc3ccc(Br)cc3)n2C)cc1 252619620 LRIPKGVEAWSZPU-UHFFFAOYSA-N 473.400 3.741 50 10 JHGE COc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 254605763 AZADRXWIVWCCFG-UHFFFAOYSA-N 451.548 3.658 50 10 JHGE C#C[C@H](NC(=O)NNC(=O)c1cccc(Br)c1)c1ccc(Br)cc1 1252459167 PKJYHFLFUBYHRV-HNNXBMFYSA-N 451.118 3.530 50 10 JHGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3ccccc3Cl)cc2)cc1 1295304587 QNEDTDROQUWYPJ-UHFFFAOYSA-N 457.939 3.778 50 10 JHGE C/C(=C/C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(C(F)(F)F)c1 1635244768 LLAUBIIHWCMDDI-QBOMHBFWSA-N 455.477 3.903 50 10 JHGE Cc1c(C(=O)NCc2ccccn2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747437 HYDFJCAEHPXVSZ-UHFFFAOYSA-N 481.896 3.945 50 10 JHGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1865758079 IJTKAYFULZQDRP-QGZVFWFLSA-N 456.518 3.604 50 10 JHGE CC(C)[C@@H](Br)C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1955899879 QARLJCVUYJRXPW-CQSZACIVSA-N 464.401 3.637 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1[C@@H](NC(=O)OC(C)(C)C)COC1(C)C 1993630565 MTBLFZIEIRGUII-GJZGRUSLSA-N 465.682 3.553 50 10 JHGE CC(C)(C)OC(=O)NCCCN(C[C@H](O)CBr)c1cccc(Br)c1 1999507441 GVUSKYOVCNXGBQ-OAHLLOKOSA-N 466.214 3.926 50 10 JHGE C[C@@H]([C@H](Br)c1ccc(Br)cc1Br)S(=O)(=O)N(C)C 2029073678 GECMJLQDUIAPSW-CPCISQLKSA-N 464.017 3.928 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H](F)[C@H](CBr)C1 2056988329 CLJPICFQBPZNQT-XCBNKYQSSA-N 490.936 3.859 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](CCl)(C(C)(C)C)C1 2160931394 KPZGUYCKIFCXGS-QFIPXVFZSA-N 455.020 3.616 50 10 JHGE CC(C)(C)OC(=O)NC[C@H](CNS(=O)(=O)c1ccc(CBr)cc1)C(F)(F)F 2162588618 IEUDOUBCARCNDS-GFCCVEGCSA-N 475.327 3.563 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(CBr)cc1 2174294635 VCPSZJWWHGWSKY-BFYDXBDKSA-N 459.406 3.648 50 10 JHGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(I)cc2C(=O)O)cc1 2331122741 CNGWXRDGDONRES-UHFFFAOYSA-N 492.269 3.560 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCCCC[C@@H]1Br 2338852213 MCSYIKGFGRWHCY-RBUKOAKNSA-N 485.444 3.859 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCCC[C@H]1CCCl 2364212467 XTIKKXQKYJXTFN-PXNSSMCTSA-N 455.020 3.950 50 10 JHGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)COc1ccc(-c2ccccc2)cc1 13981599 KQVFOVGNIXAVJU-UHFFFAOYSA-N 451.910 3.952 50 10 JHGE CCOC(=O)c1cc(Br)ccc1-c1ccc(/C=C2\C(=O)NC(=O)C(C#N)=C2C)o1 16687762 ZYJIZELRGYIMAZ-DHDCSXOGSA-N 455.264 3.766 50 10 JHGE C/C(=N\OCC(=O)N/N=C/c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 100067828 JOJLFLQASNISCM-BLPQYUSTSA-N 464.547 3.687 50 10 JHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601500 BVXJPRDCISFOTO-OVVQPSECSA-N 482.899 3.926 50 10 JHGE O=C(NC[C@H]1CCCC[C@@H]1CBr)c1ccc(I)c(O)c1 236589202 NWCOYTPLCWNJMK-VXGBXAGGSA-N 452.130 3.928 50 10 JHGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 254394502 XYJVZCTYEMOZNR-UHFFFAOYSA-N 458.543 3.945 50 10 JHGE Nc1nnc(SCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)s1 256028398 JRIRMWCBKNKTDF-UHFFFAOYSA-N 478.397 3.704 50 10 JHGE O=C(NNc1ccc(F)c(F)c1F)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 728718240 BQUOAEIKRIBAAE-UHFFFAOYSA-N 467.494 3.669 50 10 JHGE CCOc1cc(/C=C\C(=O)NN)cc(I)c1OCc1ccccc1Cl 1083982101 DMPOVSOXOUGBIU-FPLPWBNLSA-N 472.710 3.925 50 10 JHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Cl)Cc2ccccc2)cc1 1084095376 FXCNHBGDPKXCEM-UHFFFAOYSA-N 455.967 3.990 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)Cc1cccc(Br)c1 1188704023 GFNJMVGEYJAAQR-UHFFFAOYSA-N 485.491 3.775 50 10 JHGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NN=c2cc[nH]c(C)c2)c1 1301218458 WKXCJIHANABXOD-UHFFFAOYSA-N 456.955 3.604 50 10 JHGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc(-c2ccccn2)nc2c1CCC2 1306562061 XSSHVTVFOSMZAH-IBGZPJMESA-N 452.559 3.720 50 10 JHGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 1623909344 FZJWEXRLAFRBDC-LJQANCHMSA-N 457.527 3.869 50 10 JHGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689395 RDOGIXKGGORUHZ-SFHVURJKSA-N 482.338 3.915 50 10 JHGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714121 DBYPBDMCIKDGHH-SFHVURJKSA-N 468.267 3.775 50 10 JHGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1OC 1865757931 BCBPABHYFVEXKV-RIYZIHGNSA-N 491.544 3.956 50 10 JHGE COc1ccc(-c2ccc(C(=O)N/N=C\c3cc(OC)c(OC)c(OC)c3)c(C)n2)cc1OC 1865760688 KPTGQFWCOCMIQY-WGARJPEWSA-N 465.506 3.864 50 10 JHGE CCC[C@H](NC(=O)Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866906121 ZXMGDICSNSMHGF-QFIPXVFZSA-N 452.580 3.562 50 10 JHGE Cc1cnc(-n2cnc(I)c2I)cc1CCl 1901232548 PAXVTRPMQLDAIG-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1ccc([N+](=O)[O-])c(CBr)c1 1913030792 PMIIFHYRKNAPAB-UHFFFAOYSA-N 455.268 3.514 50 10 JHGE COc1ccc(N2C(=O)C(=Cc3ccco3)N=C2SCC(=O)C(C#N)=C(C)N)cc1Cl 2040416824 FOCGLRMFTHDQLB-UHFFFAOYSA-N 456.911 3.744 50 10 JHGE O=C(Cc1ccccc1I)NC[C@H](CBr)C(F)(F)F 2105265092 LKGXHJHSYSFYPV-VIFPVBQESA-N 450.036 3.523 50 10 JHGE CO[C@H]1C[C@@H](Cl)CN(C(=O)c2ccc(I)c(Br)c2)C1 2109023882 ZUKKMTDROOFQPY-ZJUUUORDSA-N 458.521 3.522 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)[C@H]1C(C)(C)C 2128678239 GCOWEPKAXMHPPB-SJORKVTESA-N 485.444 3.523 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1CC[C@@H](Br)CC12CCC2 2169890950 ZHIGBGFHUUSXCH-LLVKDONJSA-N 450.114 3.919 50 10 JHGE Cc1oc(C)c(S(=O)(=O)N(C)Cc2nccn2Cc2ccccc2)c1CBr 2179791772 WGLNNZFIIFZZCQ-UHFFFAOYSA-N 452.374 3.857 50 10 JHGE O=S(=O)(c1csc(CBr)c1)N1CCCN(Cc2ccccc2)CCOCC1 2179824455 VMGYTSCRTJBNJS-UHFFFAOYSA-N 473.458 3.556 50 10 JHGE O=S(=O)(c1ccc(OCCBr)cc1)N(Cc1ccccc1)C[C@@H]1CCCO1 2179859315 BVGSCOAKLPFCFB-IBGZPJMESA-N 454.386 3.830 50 10 JHGE Clc1cc(CN2C[C@@H]3COC[C@@]3(CBr)C2)ccc1I 2226177475 XMLWRMWJNZJITG-BXUZGUMPSA-N 456.549 3.788 50 10 JHGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2c(C)nn(CCC(=O)O)c2C)sc2c1CCCC2 2297445375 GBSVZWJLJGMDLP-UHFFFAOYSA-N 470.551 3.637 50 10 JHGE CCn1ncc(Br)c1C(=O)N[C@H](CCBr)COCc1ccccc1 2303546572 GKRKUNAFUVWQAU-CQSZACIVSA-N 459.182 3.766 50 10 JHGE CCC[C@@H](CCl)S(=O)(=O)c1ncc(I)cc1Br 2307178212 AYQWKKRXXDLTIT-QMMMGPOBSA-N 452.539 3.630 50 10 JHGE CCOC(=O)[C@H]1CCCN(C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 2324605376 UCUZDWVYTVELJF-VWLOTQADSA-N 486.616 3.603 50 10 JHGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 2331325291 GPNRPNBYTXBWLS-UHFFFAOYSA-N 492.469 3.824 50 10 JHGE C[C@@H]1CC[C@](CBr)(NC(=O)c2c(Br)c(Br)nn2C)C1 2338690972 MZTSHIJLZKFKSR-KRTXAFLBSA-N 457.992 3.629 50 10 JHGE Clc1ccc(I)cc1CN1C[C@@H]2OCC[C@]2(CBr)C1 2352418334 UJCPXJMFWXGUQI-KBPBESRZSA-N 456.549 3.930 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CN(C[C@@]2(CBr)CC2(F)F)C2(CCOCC2)C1 2379985183 FTPZBEPKTIQWCE-YOEHRIQHSA-N 453.368 3.803 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6177778 GGEIHSZNKZNINM-MOSHPQCFSA-N 475.505 3.655 50 10 JHGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 10670168 KJEPJHGTLFVMCD-OAHLLOKOSA-N 463.987 3.849 50 10 JHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1 12502884 VDIWRIULHZVKOT-SNVBAGLBSA-N 476.769 3.515 50 10 JHGE COc1ccc(C=NNC(=O)c2c(O)ccc3ccccc23)cc1COc1ccccc1C(N)=O 13321969 CJKOYNMUFDKLBE-UHFFFAOYSA-N 469.497 3.996 50 10 JHGE COc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1Br 31829115 GWQIVQWUOQIEFB-VWFKWJMUSA-N 489.395 3.504 50 10 JHGE O=C(NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1cccc2ccccc12 40611592 PHLYRFOONYQMND-UHFFFAOYSA-N 483.532 3.617 50 10 JHGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4cccc5ccccc45)c3N)CC2)c1C 54544596 FLAVQGXQFBSFPE-UHFFFAOYSA-N 467.577 3.912 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSCC(=O)Nc3ccccc3)cc2)cc1 59371933 UAKSMFHDXVDCHO-MFKUBSTISA-N 497.598 3.585 50 10 JHGE Cc1cc(/C=C(\C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 103865731 CVSPHFIKVXRQKZ-OESALBNXSA-N 494.511 3.698 50 10 JHGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\NCCc2ccc(Br)cc2)cc1OC 217175675 UATSOCKODJPUNX-SULWINFOSA-N 458.356 3.883 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 254703576 YCIZANJSXWFYQM-UHFFFAOYSA-N 489.513 3.545 50 10 JHGE COc1cc(C(=O)NN=c2scc(-c3ccc(C)cc3)n2C(=O)CCl)cc(OC)c1OC 254907352 YOWALAAMJWSNBD-UHFFFAOYSA-N 475.954 3.676 50 10 JHGE COc1ccc(OCC(=O)NN=C2C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3ccccc32)cc1 263628914 IPDCVXXNSMFTCE-XMMPIXPASA-N 499.571 3.521 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)NCc1ccccc1 761396562 GAHOCERRAJUURG-MLPWYGTASA-N 453.502 3.619 50 10 JHGE CC1CCN(C(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 782092607 HYAGAUWYBVTPFV-CPNJWEJPSA-N 465.941 3.826 50 10 JHGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCS(=O)(=O)c3ccccc3)c2C)cc1 918590437 CKFCUIRDNOQFOG-XLNRJJMWSA-N 477.586 3.990 50 10 JHGE C=CCCC[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1680959145 FFVCABCSSUVGHQ-SFHVURJKSA-N 458.584 3.793 50 10 JHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Nc4cccc(Cl)c4)c(=O)c23)C1 1860772182 UETXLVLMFVXRBT-VXGBXAGGSA-N 459.959 3.650 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1cc(CBr)ccc1Br 1887893763 UKJHFECERQTSPH-KOLCDFICSA-N 476.028 3.748 50 10 JHGE O=C(N[C@@H]1C[C@@H]1CBr)c1cc(Br)ccc1I 1975544627 BMMCLPNOFSISTL-LHLIQPBNSA-N 458.919 3.567 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2C[C@]2(CBr)C1 2029658487 YXENVAGLQZJGGV-RNCFNFMXSA-N 484.957 3.911 50 10 JHGE C[C@H]1CO[C@H](CBr)CN1C(=O)Cc1cc(Br)cc(Br)c1 2295315120 HRYXUQGKZIHUBZ-TVQRCGJNSA-N 469.999 3.765 50 10 JHGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OCC)c1 2314735931 KKNHYMUAVCTXGA-UHFFFAOYSA-N 455.379 3.591 50 10 JHGE CC[C@@H](C)[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823005 WTFIWZQCEWZZDJ-CRAIPNDOSA-N 473.433 3.572 50 10 JHGE Cc1nc2scc(C)n2c1C=NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 2325903149 AKQNGFJBWGTFSG-SMDDNHRTSA-N 468.608 3.620 50 10 JHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812571 IEODTSJHKXPGER-OVVQPSECSA-N 453.930 3.728 50 10 JHGE COc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 48572052 QNUWVHWSCYZCTD-JVWAILMASA-N 453.502 3.945 50 10 JHGE O=C(NNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1ccc(Br)s1 107577273 RZDHRYULJJKKAB-JTQLQIEISA-N 477.306 3.602 50 10 JHGE C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@H](CBr)O1 232350888 OOSOIOWKTLUMLE-SCZZXKLOSA-N 458.521 3.569 50 10 JHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(F)cc3)cc2OCC)cc1 254744370 UQOAPCYRKAWGBQ-UHFFFAOYSA-N 493.491 3.931 50 10 JHGE O=C(c1cc(I)ccc1Br)N1CCOC[C@H]1CCCl 694889845 XVTLVZBFQWHIDZ-SNVBAGLBSA-N 458.521 3.524 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ccncc2Br)C1 702866033 QBXJRELCWJNZJP-LLVKDONJSA-N 490.055 3.598 50 10 JHGE C[C@@H]1CCC[C@](CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703967700 RIBBZFRKHWBPQL-VFNWGFHPSA-N 485.444 3.572 50 10 JHGE Cn1cc(C(=O)NNC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c2ccccc21 729303841 ZFSLCLKYKHFKEL-FQEVSTJZSA-N 450.539 3.986 50 10 JHGE C[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 761396098 BSFHPBVRRGKUPF-UEXNTNOUSA-N 483.484 3.670 50 10 JHGE CC(/C=C/c1ccccc1)=NNC(=O)CSc1nnc(-c2ccccc2Br)n1N 1084340971 AHLWZUCQMQYRRT-KOTOMXDRSA-N 471.384 3.719 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)ncn3Cc2ccccc2OC)c1 1594446731 CMRFXYYFEWFZMN-UHFFFAOYSA-N 455.543 3.706 50 10 JHGE Nc1cc([N+](=O)[O-])ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 1614643730 YSNIFDLPSGDHDF-WMLDXEAASA-N 481.290 3.964 50 10 JHGE C[C@H](C(=O)N/N=C\c1ccccc1Br)n1cnc2sc3c(c2c1=O)CCCC3 1860774111 NEHVJEVDXZZWCG-MOQVIFSHSA-N 459.369 3.811 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682548 REKPMQKCKKZANJ-JOCHJYFZSA-N 467.485 3.875 50 10 JHGE CCC[C@@H](NC(=O)CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866883766 GMXBZUFXBLCKQR-GOSISDBHSA-N 465.984 3.610 50 10 JHGE CC1(C)OC[C@H](NC(=O)c2cc(Br)cc(Br)c2)[C@@H]1Br 1911027408 SZFGWHFFKIJODC-QWRGUYRKSA-N 455.972 3.882 50 10 JHGE O=C(NC[C@H](NC(=O)[C@H](Br)C1CCCC1)C(F)(F)F)OCc1ccccc1 2001993608 QNCAANGMTNHPLQ-LSDHHAIUSA-N 451.283 3.914 50 10 JHGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCCCN2CCCCCC2)C1 2007039364 IFBPLYLXHVDNOP-HZPDHXFCSA-N 452.377 3.692 50 10 JHGE CCC[C@H](CCBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233706 WNHORBIBWWGBPU-MRXNPFEDSA-N 473.433 3.574 50 10 JHGE CCOC1(CCl)CN(C(=O)c2cc(Br)ccc2I)C1 2116389129 SUGGPMMJKYDYOC-UHFFFAOYSA-N 458.521 3.524 50 10 JHGE O=C(N[C@@H]1CC[C@@H]1CBr)c1cc(I)ccc1Br 2213316216 HWDTYIKYMGPDAV-RDDDGLTNSA-N 472.946 3.957 50 10 JHGE Cc1ccc(C(=O)N[C@@H](C)c2nnc(CBr)s2)cc1I 2232839491 WCJDUKVZYYXPME-QMMMGPOBSA-N 466.142 3.837 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NCCCCI)C1(C)C 2243586072 KWLJVXMVYASPQO-JCQPUDPBSA-N 458.406 3.993 50 10 JHGE C[C@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CN1Cc1ccccc1 2306408761 NJKHVAZBQRFITE-JTSKRJEESA-N 469.673 3.600 50 10 JHGE CC(NNC(=O)c1ccncc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2313683163 SVPJCVYSDAGXFE-UHFFFAOYSA-N 454.515 3.651 50 10 JHGE CN(C)C[C@H]1C[C@H](Br)CN1Cc1ccc(Cl)cc1I 2341012001 OCERVDXZMXLGNR-WCQYABFASA-N 457.581 3.844 50 10 JHGE C[C@H](CBr)N1CCN(Cc2ccc(Cl)cc2I)CC1 2341050531 NYWIWBPRFYKANG-LLVKDONJSA-N 457.581 3.846 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@H]2C[C@@H](Br)C2)C[C@@H](P(C)(C)=O)C1 2344197153 NGGZCVWYYNFDJQ-APIJFGDWSA-N 451.342 3.524 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2364017131 GZZOGBANGDSCPO-IWSPIJDZSA-N 470.003 3.723 50 10 JHGE CN(C[C@H]1C[C@@H](Br)C1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 2378165660 ATWPKDMTCLSEAC-IIYDPXPESA-N 455.340 3.581 50 10 JHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc(OC)c1OC(=O)c1ccco1 3014085 CDHJLSPCJPYUOO-HXUWFJFHSA-N 486.436 3.841 50 10 JHGE COc1cc(Br)c(OCC(=O)N/N=C/c2cccc(C)c2O)c(Br)c1 3085734 KEHDMGQGCYQHEA-DNTJNYDQSA-N 472.133 3.763 50 10 JHGE O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12487927 QWAJQZPHWOHHON-UHFFFAOYSA-N 474.355 3.808 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1C 12503519 NOULPLCTJPUDNQ-ACCUITESSA-N 474.586 3.911 50 10 JHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)CCCC(=O)OCCCc1ccccc1 14016831 OKNNVLKYYZWZAK-UHFFFAOYSA-N 487.984 3.861 50 10 JHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 14039100 VZAIWDQEDQGWML-UHFFFAOYSA-N 476.558 3.675 50 10 JHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 14654080 BIMWNCFYNRGMJW-UHFFFAOYSA-N 470.776 3.841 50 10 JHGE Cc1cccc[n+]1[C@@H]1[C@@H](c2ccc(Br)cc2)C(C#N)=C(C(C#N)C#N)N[C@]1(O)C1CC1 36020190 SDAQYBHKEWFTER-QTJGBDASSA-N 475.370 3.513 50 10 JHGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38655077 XOVRDLAJYZXLJU-OAQYLSRUSA-N 458.386 3.940 50 10 JHGE COc1ccc(C(=O)N/N=C/c2ccc(OC)c(CN3CCN(c4ccc(F)cc4)CC3)c2)cc1 58079043 CZKIOWZAMJGHRB-RDRPBHBLSA-N 476.552 3.929 50 10 JHGE COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1CN1CCN(c2ccc(F)cc2)CC1 58079046 RFMUILFVFWXCPD-JVWAILMASA-N 450.514 3.822 50 10 JHGE Cc1ccc(NCc2nnc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n2-c2ccccc2)cc1 59844588 PZKICVLFBNVYTH-QGZVFWFLSA-N 464.595 3.616 50 10 JHGE COc1cc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)ccc1OCCC(C)C 100916986 KWGFBSYSZVSTCT-UHFFFAOYSA-N 460.185 3.959 50 10 JHGE CC(=O)Oc1ccc([N+](=O)[O-])cc1C1=NN(C(C)=O)[C@H](c2cc3ccccc3cc2OC(C)=O)O1 101587449 QRDWGSFTQSGDCB-DEOSSOPVSA-N 477.429 3.838 50 10 JHGE Cc1cc(C(=O)NNC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)c(C)n1-c1ccccc1 105290427 UVVZEAJJKOSUTQ-UHFFFAOYSA-N 469.545 3.533 50 10 JHGE Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 212752127 FQOIHBIBJUBMOX-AHKFDXCISA-N 456.905 3.660 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N(C)CCCBr)cc1Br 232021699 SEHWOUGLGTUFCQ-UHFFFAOYSA-N 464.017 3.926 50 10 JHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1OCc1ccccc1)c1ccccc1Cl 725418882 MWUVQQRNXZOUIL-UHFFFAOYSA-N 471.966 3.835 50 10 JHGE C[C@H](Oc1ccc(C=NNC(=O)c2cc(Br)c(O)c(Br)c2)cc1)C(=O)O 1082937245 CMKDQIGPDDCUNF-VIFPVBQESA-N 486.116 3.533 50 10 JHGE COc1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)CC2=NNC(=O)C(O)(c1ccccc1)c1ccccc1 1083898219 HBJXUHHURQTFMX-OAQYLSRUSA-N 497.473 3.575 50 10 JHGE CCc1ccc(OCC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)c(Br)c1 1084274011 LBGIRVUKUUVJCE-UHFFFAOYSA-N 451.317 3.566 50 10 JHGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 1084501127 UOKCHSWKZBBECZ-UHFFFAOYSA-N 486.937 3.978 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)CC1CCCC1 1926748775 LEZCWSYBVLXMGU-QGZVFWFLSA-N 485.444 3.716 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1C[C@H]2C[C@@]1(CBr)CO2 2094646622 JOXHHNADQXTBMX-NOZJJQNGSA-N 453.956 3.590 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146693181 MFZFAKRTDZJTAA-ZWKOPEQDSA-N 467.983 3.979 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H](CNS(=O)(=O)c1ccc(CBr)cc1)C(F)(F)F 2162588619 IEUDOUBCARCNDS-LBPRGKRZSA-N 475.327 3.563 50 10 JHGE C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2163050575 LASVQZJVQCJIMG-ZIAGYGMSSA-N 461.422 3.751 50 10 JHGE CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1 2179860418 RGENOILMATZYHY-GOSISDBHSA-N 452.418 3.613 50 10 JHGE O=S(=O)(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)c1sccc1Br 2192575674 IUSQQVUDNZLHTB-IONNQARKSA-N 457.131 3.752 50 10 JHGE O=C(N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2)c1cc(I)ccc1O 2204561205 DZJFYAQOMWFWDO-JBSCMGISSA-N 450.114 3.679 50 10 JHGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Cl)c1cc(I)ccc1Br 2206485720 JJOMVDJOVHJIRQ-NWDGAFQWSA-N 470.532 3.712 50 10 JHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1ccc(F)c(Br)c1 2232149559 APLOHQXXSWSLKB-PRHODGIISA-N 464.138 3.716 50 10 JHGE COc1ccc([C@@H](Br)C2CCS(=O)(=O)CC2)cc1I 2269546140 NDZOOKZZGXIESW-ZDUSSCGKSA-N 459.143 3.561 50 10 JHGE Cc1cccc(C(=O)NC[C@H]2CC[C@@H](CBr)CO2)c1I 2279408456 OUHCVUYRRQJKHF-NWDGAFQWSA-N 452.130 3.520 50 10 JHGE CC[C@@H](CCBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827010 MSVUONDUCTWHQQ-INIZCTEOSA-N 473.433 3.574 50 10 JHGE C[C@@H](CCBr)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316828081 YBJIWQXXCMQPFB-INIZCTEOSA-N 473.433 3.574 50 10 JHGE COc1ccc(Cc2nc3ccc(C(=O)NN=Cc4ccccc4[N+](=O)[O-])cc3[nH]2)cc1OC 2323720653 SVWUQVSABZFGFI-UHFFFAOYSA-N 459.462 3.843 50 10 JHGE CC[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1CN(C(=O)OC(C)(C)C)C1 2325063581 KBZREOCQDZLCRJ-OAQYLSRUSA-N 493.692 3.582 50 10 JHGE CNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)sc2c1 2329663651 OJBXQVARZOVKEO-UHFFFAOYSA-N 477.365 3.513 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1CCCl 2364215990 XTIKKXQKYJXTFN-YLJYHZDGSA-N 455.020 3.950 50 10 JHGE CC1(C)CCC[C@@]1(CCl)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364216316 ZVTGTNQDJJCDSU-QFIPXVFZSA-N 455.020 3.950 50 10 JHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14662667 BMONUNGVVOMVDW-OAHLLOKOSA-N 487.350 3.856 50 10 JHGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)c1 35549811 VCRKWDDESNBGGY-XDJHFCHBSA-N 458.518 3.684 50 10 JHGE CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 40840978 WHNCTHMBZJJTTP-UFFVCSGVSA-N 450.289 3.890 50 10 JHGE C#CCOc1cc(Br)c(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OCC 58891691 CTOJPBKUAIATLQ-OQLNFPPLSA-N 459.340 3.824 50 10 JHGE COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(OC)c1 58991374 QTRGDGYFIIAEMX-PKAZHMFMSA-N 488.573 3.979 50 10 JHGE COC[C@@H](Br)CN(C)S(=O)(=O)c1cc(Br)c(C)cc1Br 155825547 LGBKNHIGBYBHQT-VIFPVBQESA-N 494.043 3.550 50 10 JHGE COc1ccc(Cc2nc3cc(C(=O)N/N=C\c4ccc([N+](=O)[O-])cc4)ccc3[nH]2)cc1OC 169925478 NUMBTZXJGVUBMS-QFEZKATASA-N 459.462 3.843 50 10 JHGE N#Cc1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)sc2c1CCCC2 254515255 YIGUVCSYNSPGMF-UHFFFAOYSA-N 472.526 3.807 50 10 JHGE C[C@@H]1[C@@H](CI)[C@H](I)CN1C(=O)OCc1ccccc1 306899785 KQMMOIPNKCQRTM-RAIGVLPGSA-N 485.103 3.882 50 10 JHGE O=S1(=O)CC[C@H](Oc2c(Br)cc(Br)cc2CBr)C1 310876455 HAUKJIFAAMRSIE-VIFPVBQESA-N 462.985 3.672 50 10 JHGE O=S(=O)(c1cc(CCl)oc1Br)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 380637264 LXYWTPDGAUOAPG-HOTGVXAUSA-N 473.820 3.924 50 10 JHGE O=C(c1ccc(Br)cc1Br)N1CCOC[C@@H]1CCBr 694882900 VWQQYPSNMCLZFJ-JTQLQIEISA-N 455.972 3.838 50 10 JHGE CC(C)[C@@H](C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)S(=O)(=O)C1CCCCC1 728456132 DAHRSMJRASMAPH-QHCPKHFHSA-N 490.597 3.938 50 10 JHGE N#C/C(=C\c1ccc(-c2ccc(-n3cnnn3)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1081127808 BMVJJHWRIWJWSS-RVDMUPIBSA-N 485.529 3.507 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCC#N)cc1 1083990401 SAIMRJISBGMPNZ-LJQANCHMSA-N 460.328 3.714 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)CSCC(=O)Nc3ccccc3)cc2)cc1 1084275490 UAKSMFHDXVDCHO-UHFFFAOYSA-N 497.598 3.585 50 10 JHGE COc1ccc(-c2ccc(C(=O)NNC(=O)Cc3ccc(Br)cc3)c(C)n2)cc1 1865757323 XIFFURPPIXKAIO-UHFFFAOYSA-N 454.324 3.832 50 10 JHGE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CCBr)c(Br)n1C 1915094540 KGXKTQZQNDFOOQ-GFCCVEGCSA-N 479.238 3.855 50 10 JHGE O=C(c1cc(Br)ccc1I)N1C[C@H](Br)C(F)(F)C1 2034595462 NKYSOSJAMBBRHC-VIFPVBQESA-N 494.899 3.908 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1ccc(Br)cc1F 2136492133 HOTOSECZSUFVTF-KCJUWKMLSA-N 464.138 3.716 50 10 JHGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 2179862790 BOTLDOAQOVUYFH-GOSISDBHSA-N 455.393 3.924 50 10 JHGE CCCN1CC[C@H]([C@@H](Br)c2ccc(I)c(C)c2)S1(=O)=O 2207104968 IDKGDSKKGLQWMN-KGLIPLIRSA-N 472.186 3.850 50 10 JHGE CCC(CBr)(CBr)NS(=O)(=O)Cc1ccc(Br)cc1 2226108982 SEFYCVGHVVFCCW-UHFFFAOYSA-N 478.044 3.807 50 10 JHGE Cc1oc(CBr)cc1S(=O)(=O)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234686735 QSOIRXNHIQEENL-HDICACEKSA-N 453.402 3.911 50 10 JHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)c(I)c2)C[C@H]1Br 2268346945 KFDMVFACSZJYRI-YGOYTEALSA-N 458.521 3.615 50 10 JHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1C 2268647148 XLIPTXRKHFPCSE-WGDIFIGCSA-N 486.377 3.567 50 10 JHGE CO[C@@H]1C[C@H](NC(=O)Cc2cc(Br)cc(Br)c2)C[C@H]1Br 2295312667 ZWRRUIZFLCHHNQ-JHJVBQTASA-N 469.999 3.811 50 10 JHGE O=C(C=Cc1ccco1)NCC(=O)NN=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 2296382166 UQXRIUJKXFJZEE-UHFFFAOYSA-N 497.338 3.783 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296390698 DHQLINGOFUCWNS-GXTWGEPZSA-N 470.532 3.571 50 10 JHGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 2296731186 BUEPLBGROHDBIH-KDURUIRLSA-N 487.560 3.561 50 10 JHGE COc1ccc(C=C2CN(C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1OC 2297302743 WGCYSNZQQDRSOL-RUZDIDTESA-N 475.545 3.812 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H](CCBr)C1 2338851879 IOUMQJIITWJVFQ-KRWDZBQOSA-N 485.444 3.670 50 10 JHGE O=C(c1cc(I)sn1)N1C[C@@H]2C[C@@H](CBr)C[C@@H](C2)C1 2343312552 ZCYWOLANVRDYTJ-OWUUHHOZSA-N 455.159 3.631 50 10 JHGE ClCCN1CCC[C@@H](NCc2ccc(I)c(Br)c2)C1 2349847679 LTQZKDKPWVKZDW-GFCCVEGCSA-N 457.581 3.847 50 10 JHGE CN(CC[C@H](Cl)c1cccs1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2366248124 PNNRHVNSLCUJGV-JXFKEZNVSA-N 472.991 3.704 50 10 JHGE CN(C[C@H]1C[C@H](Br)C1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 2379035782 ATWPKDMTCLSEAC-PBFPGSCMSA-N 455.340 3.581 50 10 JHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)ccc1Br 12573435 ASAQDLKWQDNTOD-UHFFFAOYSA-N 491.194 3.779 50 10 JHGE C#CCOc1c(Br)cc(C=NNC(=O)c2ccc(Br)cc2)cc1OC 16195327 GGDWLCAJCAPVDZ-UHFFFAOYSA-N 466.129 3.996 50 10 JHGE O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(N2CCCC2=O)cc1 59507854 JURAYTCFZSOMGF-UFFVCSGVSA-N 481.144 3.808 50 10 JHGE CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC(=O)OC)cc2Br)c1 96476477 WZWANFQATFGROI-OVCLIPMQSA-N 489.322 3.954 50 10 JHGE C/C(N)=C(/C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 103081694 MNACJILOQWKRJX-SCYXUETKSA-N 467.481 3.932 50 10 JHGE COc1ccc(CCN/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)cc1OC 217253751 LYOJXKKUDOSKGW-SSZFMOIBSA-N 491.329 3.795 50 10 JHGE O=S(=O)(NCCCCCCI)c1sccc1Br 232473995 FYDJIDPBXWQGQY-UHFFFAOYSA-N 452.177 3.784 50 10 JHGE O=S(=O)(Nc1ncc(Br)nc1Br)c1ccc(CBr)cc1 232487319 IWGLSWRFXASTCE-UHFFFAOYSA-N 485.983 3.697 50 10 JHGE CC(=NOC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1cccs1 254312205 HDDOVESMPKUIIW-UHFFFAOYSA-N 472.548 3.653 50 10 JHGE CCN(CCOCCBr)S(=O)(=O)c1cc(Cl)c(Br)s1 302442874 UONLYZUIRNFQTH-UHFFFAOYSA-N 455.621 3.586 50 10 JHGE COc1ccc(CCCNC(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1OC 728949618 ADVPSRJNYHSAID-UHFFFAOYSA-N 470.751 3.697 50 10 JHGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)c2nc3ccccc3s2)c1C 1084006331 RQIHWBPJLVMCTA-UHFFFAOYSA-N 450.480 3.780 50 10 JHGE C=CC[C@@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)C(=O)OCC 1138146044 FGYQHDNFMJPJLL-XMJIKXADSA-N 451.914 3.648 50 10 JHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708870 IAQFSLYBBNLPKQ-NRFANRHFSA-N 465.469 3.859 50 10 JHGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711625 CXUGBTRWOAGILI-HXUWFJFHSA-N 459.462 3.858 50 10 JHGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(CN3CCOCC3)CC2)n1 1868253522 KDHKCASSMMXMNY-UHFFFAOYSA-N 468.627 3.531 50 10 JHGE CN(C[C@H]1C[C@@H]1Br)C(=O)c1cc(I)ccc1Br 2020200923 HNMYRFRPXACUKW-HQJQHLMTSA-N 472.946 3.909 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCCC[C@@H]1CBr 2089706367 ADIJMIFJPWQBIR-IAGOWNOFSA-N 485.444 3.574 50 10 JHGE C[C@H](Br)[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)CCO1 2117530746 GWRGAIDGRDAHRQ-UFBFGSQYSA-N 458.521 3.569 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1ccc(CCBr)s1)C2 2179819193 JIHIMCBWZCTPEX-YLJYHZDGSA-N 469.470 3.828 50 10 JHGE Cc1cc(C(=O)NC[C@H]2CC[C@@H](CBr)CO2)ccc1I 2279420463 HBVLLNRXQJGJCJ-WCQYABFASA-N 452.130 3.520 50 10 JHGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2cncc(CBr)c2)C1 2283111620 LWRYDHUVHIEGLK-UHFFFAOYSA-N 452.418 3.509 50 10 JHGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2340664266 ZJERACKDBARUTC-QGZVFWFLSA-N 499.452 3.912 50 10 JHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc(OC)c1OC(=O)c1ccco1 3014086 CDHJLSPCJPYUOO-FQEVSTJZSA-N 486.436 3.841 50 10 JHGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCc1ccccc1 12501959 VPUPVTPFIVBVLN-UHFFFAOYSA-N 454.379 3.807 50 10 JHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1 14035421 SHYFKQJITHNZLP-QGZVFWFLSA-N 457.596 3.949 50 10 JHGE CCCOc1ccc2cc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(=O)oc2c1 33811349 YBZOSUGLAMVJTQ-UHFFFAOYSA-N 465.289 3.729 50 10 JHGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] 40658332 QEDZRBWYYIEKAT-UHFFFAOYSA-N 456.846 3.715 50 10 JHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 40813006 ZLZBFZFNPHDVQN-LGUFXXKBSA-N 491.456 3.972 50 10 JHGE C=CCc1cc(/C=N/NC(=O)COc2ccccc2I)cc(OCC)c1O 59302690 RLQOJIGGOWYZTQ-WSDLNYQXSA-N 480.302 3.653 50 10 JHGE Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 212752054 FQOIHBIBJUBMOX-BFFYNSAMSA-N 456.905 3.660 50 10 JHGE C[C@H](CCBr)NC(=O)c1cc(Br)ccc1I 235442355 RLPLCAXNOOOGKE-SSDOTTSWSA-N 460.935 3.957 50 10 JHGE COc1ccc([N+](=O)[O-])cc1C=NNC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 252597078 COYCOKSAXUXOPJ-GCKOOOLGSA-N 450.476 3.586 50 10 JHGE aggregator O=C(c1scc(Br)c1Br)N1CCN2C[C@H](Br)C[C@H]2C1 705468272 RWRHGEVIIAEZQX-SFYZADRCSA-N 473.028 3.567 50 10 JHGE O=S(=O)(c1ccc(Br)cc1Cl)N1CCS[C@H](CCBr)C1 719988463 HPUSSVTXMLJFQQ-SNVBAGLBSA-N 463.644 3.994 50 10 JHGE CC1=C(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 1084099661 WAKPMKTVFMQKRK-KRWDZBQOSA-N 464.334 3.845 50 10 JHGE CCn1cc(C(=O)NN=Cc2ccc(O)cc2)c(=O)c2cc(F)c(NN=Cc3ccc(O)cc3)cc21 1084549619 NTKABZMUKATFJP-UHFFFAOYSA-N 487.491 3.782 50 10 JHGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(OC(F)F)c3ncccc23)cc1 1476026882 ZFGPTPKQOABIBJ-CYBMUJFWSA-N 458.421 3.659 50 10 JHGE C/C(=C\C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1OC(F)F 1631071860 BGQKJXFYLZZBGM-BUHFOSPRSA-N 453.511 3.911 50 10 JHGE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(CCCCl)cc1 1666115715 AARCAZZZQKZIPJ-UHFFFAOYSA-N 455.020 3.881 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)CCCc4ccc(Cl)cc4)c(=O)c23)C1 1860771531 ZKVMYMYSFFZQDQ-GJZGRUSLSA-N 487.025 3.968 50 10 JHGE CCCn1ncc(Br)c1C[C@H](Br)CN1C(=O)c2ccccc2C1=O 1905342641 KEXSBYZACYIKHQ-NSHDSACASA-N 455.150 3.658 50 10 JHGE C[C@@H]([C@H](Br)c1cc(Br)cc(Br)c1)S(=O)(=O)N(C)C 2029074357 JUHSNCJXHUDHOP-CPCISQLKSA-N 464.017 3.928 50 10 JHGE O=C(c1cccc(Br)c1Br)N1CC[C@@H](OCCBr)C1 2109126277 RWKSTYBBFWSINB-SECBINFHSA-N 455.972 3.838 50 10 JHGE C[C@@H]1CN(S(=O)(=O)CCC(F)(F)CBr)[C@H](C)[C@@H](C)N1Cc1ccccc1 2123365100 FGXXCEFRLFNTEC-BZUAXINKSA-N 453.393 3.720 50 10 JHGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2cc(Br)sn2)C1 2139779500 IZEKUZUGJWDVMI-MRVPVSSYSA-N 496.084 3.659 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146693398 NBWBRXWRONXBTB-XDTLVQLUSA-N 470.532 3.712 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CCC2)[C@@H](CCl)C1 2151646677 ZFXHPSWBSHBNFR-KRWDZBQOSA-N 453.004 3.514 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCC[C@@](CBr)(C2)C1 2199681534 ZSJPSKPRVQPHRC-AOMKIAJQSA-N 497.455 3.526 50 10 JHGE O=C(c1c(F)cccc1I)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2282786441 FSQYMUOZVQPKGX-NIUIZCCNSA-N 456.068 3.909 50 10 JHGE COc1ccc(C=C2CN(C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC 2297302744 WGCYSNZQQDRSOL-VWLOTQADSA-N 475.545 3.812 50 10 JHGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2314741365 XTNVNSPZILWECM-UHFFFAOYSA-N 492.484 3.757 50 10 JHGE COc1c(F)cc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)cc1F 2316262072 VOKZNZGBLRRLIG-KGLIPLIRSA-N 469.266 3.913 50 10 JHGE C[C@]1(CBr)CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338843456 TZYSKAGNZNMFDD-OAQYLSRUSA-N 485.444 3.670 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2364025712 ARZMYQICMMVSBG-DJLDLDEBSA-N 470.003 3.723 50 10 JHGE COC[C@@]1(CBr)C=CCN1C(=O)c1ccc(Cl)cc1I 2379847160 UNTUOQGADGARHU-AWEZNQCLSA-N 470.532 3.737 50 10 JHGE C/C(N)=C(/C#N)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 9493404 RZJZKOLEPNPZRB-OQKWZONESA-N 462.506 3.536 50 10 JHGE O=C(Cn1ccc2ccccc21)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 14776441 VXONTIIJTJFYLB-UHFFFAOYSA-N 479.389 3.829 50 10 JHGE O=C(N/N=C/c1ccccc1O)C1[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@@H]1c1ccccc1 20073475 YDBBEGWEPITZGB-XNJCBJRUSA-N 483.568 3.515 50 10 JHGE C/C(=N\NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 33411288 YTAIATGWDUTRQT-FPOLWJRTSA-N 472.457 3.635 50 10 JHGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(N)=O)CCC2 40824412 ZPNGZSYWYNIFMO-ZMOGYAJESA-N 457.284 3.827 50 10 JHGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\NCCc2ccccc2Br)cc1OC 217175546 ZTASZZIKCWUEIF-LSVCFVEQSA-N 458.356 3.883 50 10 JHGE COc1cc(I)c(CBr)c(I)c1 307114048 RZRWMAQZBIMVRJ-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE O=C(c1cc(Br)sc1Br)N1CCN2C[C@H](Br)C[C@H]2C1 405248785 BRGQERIIUHYYRF-SFYZADRCSA-N 473.028 3.567 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1CCOC[C@@H]1CCBr 694944933 PEGBUPLRCNLBPA-ZETCQYMHSA-N 462.001 3.899 50 10 JHGE Cc1cc(Br)c(S(=O)(=O)N2CC([C@H](C)Br)C2)cc1Br 719759386 RWGJRMOCFRQKHI-QMMMGPOBSA-N 476.028 3.924 50 10 JHGE CO[C@@H](C)C(=O)Nc1cccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 920855413 DTPNXJMJAIQNIQ-HJHGFDQJSA-N 468.517 3.983 50 10 JHGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1OC 1084472654 IXJHGPYADSWVAV-UHFFFAOYSA-N 475.295 3.910 50 10 JHGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1cncc(Br)c1 1565517617 UQGRZYCDIXSSQO-UHFFFAOYSA-N 477.938 3.839 50 10 JHGE CC(C)c1nnc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)s1 1858693374 IVJWGYNIBMBXFC-UHFFFAOYSA-N 476.446 3.732 50 10 JHGE O=C(NC[C@H](Br)CBr)c1ccc(Cl)cc1I 1901576311 IBSLONDQHKELKK-ZCFIWIBFSA-N 481.353 3.833 50 10 JHGE Cc1nc(I)c(I)n1-c1cccnc1CCl 1936811964 CHZBRQLLJVJBPP-UHFFFAOYSA-N 459.456 3.524 50 10 JHGE O=S(=O)(C[C@@H](Br)c1sccc1I)N1CCCCC1 2028943611 ZCGYOPVUYSUEDX-SECBINFHSA-N 464.188 3.604 50 10 JHGE N#CC(=Cc1ccc(OC(=O)c2cccnc2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 2040448436 RUBMHYJEXVSXDN-UHFFFAOYSA-N 478.512 3.782 50 10 JHGE Cc1nc(-n2c(C)nc(I)c2I)nc(C)c1CCl 2050326009 YTUMHJFDMRZLKB-UHFFFAOYSA-N 488.498 3.536 50 10 JHGE O=C(CBr)c1cc(I)cc([N+](=O)[O-])c1OC(F)(F)F 2055243794 XPGWNXTTXRUMGX-UHFFFAOYSA-N 453.936 3.676 50 10 JHGE C[C@@]1(CBr)COCCN1C(=O)c1ccc(Br)cc1Br 2112712160 AROLPACPGZYKRW-CYBMUJFWSA-N 455.972 3.838 50 10 JHGE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1ccc(CBr)cc1 2163055109 DCHGCFPTLMCRLC-MRXNPFEDSA-N 461.422 3.992 50 10 JHGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)N1CCC(CBr)CC1 2179823243 HHRAVJXWOHFJFP-RBUKOAKNSA-N 459.450 3.654 50 10 JHGE CN(Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cc(CBr)cc(F)c2F)C1 2179858000 HXXPSZIUAISPPE-MRXNPFEDSA-N 459.356 3.755 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC[C@]23C[C@](C)(CO2)C3)C1 2247421821 HDNKZLFCCXPTMU-OKZBNKHCSA-N 451.345 3.777 50 10 JHGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2328796813 RBLZKTSAKUDTBM-KRWDZBQOSA-N 461.540 3.741 50 10 JHGE CCOCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 9819789 QWQOSZRHANLPHU-UHFFFAOYSA-N 487.350 3.858 50 10 JHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OC)c(I)c1 13980311 JJWARLDXIFNJPR-CYBMUJFWSA-N 482.318 3.653 50 10 JHGE COc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 14006415 GWXFDDBXIQBPFR-AWEZNQCLSA-N 465.344 3.575 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 40884486 YRSMOGJSHLZZEB-VCHYOVAHSA-N 461.430 3.947 50 10 JHGE CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)c1 110277315 AYVKSJWFQAUIBC-SSKFGXFMSA-N 468.985 3.641 50 10 JHGE Cc1ccc(C)c(NC(=O)COc2ccccc2C=NNC(=O)C(=O)N[C@@H](C)c2ccccc2)c1 254308376 KUQTWVJFOCKWQU-FQEVSTJZSA-N 472.545 3.648 50 10 JHGE Cc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 254352521 UIPJPYBVRJVTMS-UHFFFAOYSA-N 455.493 3.867 50 10 JHGE COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2ccc(C)cc2O)cc1OC 254483544 LIGNYXLMLKPAKC-UHFFFAOYSA-N 458.518 3.809 50 10 JHGE Cc1cc(/C=C(/C#N)C(=O)N(CC(=O)N(C)C)CC(F)(F)F)c(C)n1-c1ccc(F)cc1 917680443 AUWWZWGKIZCCKK-YVLHZVERSA-N 450.436 3.619 50 10 JHGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 1084578910 KWFGGPRJIAZPCH-UHFFFAOYSA-N 492.307 3.795 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)cc1 1476789190 HEIBLXIXHHGZNS-LBPRGKRZSA-N 459.915 3.681 50 10 JHGE C#CCn1ccc(CN(CCOC)C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)n1 1520238297 DCVPJCIINUIVBS-JWGURIENSA-N 459.525 3.645 50 10 JHGE CCCCCC(=O)NN=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 1772720101 FONKAJSDTZFWGR-UHFFFAOYSA-N 458.511 3.971 50 10 JHGE CCCN1CC[C@@H]([C@@H](Br)c2csc(I)c2)S1(=O)=O 2029065735 JPEYZDDDTFBOPO-ONGXEEELSA-N 464.188 3.603 50 10 JHGE Cc1cc(C(=O)N2CCC(CI)CC2)ccc1I 2086031097 WMHBHTFBJCMQAY-UHFFFAOYSA-N 469.104 3.887 50 10 JHGE O=C(c1csc(Br)c1Br)N1CCN2C[C@H](Br)C[C@@H]2C1 2093941839 DDRWEZBHVIBEBK-HTQZYQBOSA-N 473.028 3.567 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2COC[C@]2(CBr)C1 2234578434 FXHUBZBUFBAWEW-XPTSAGLGSA-N 467.983 3.695 50 10 JHGE BrC[C@@H]1CO[C@H]2CN(Cc3cccc(Br)c3Br)C[C@@H]2O1 2279867407 OMUXBGGNBQTOAB-WXHSDQCUSA-N 469.999 3.575 50 10 JHGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(Br)cc1 2294510801 KKOLOKNGWBDNIE-UHFFFAOYSA-N 472.320 3.902 50 10 JHGE CC(C)C[C@@H](CBr)CN=[S@@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2353831359 RUMDCOTWSUHYQE-YHAMSUFESA-N 454.475 3.999 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(Br)ccc1O 2361683638 FIUDAEBUDZDLIA-UHFFFAOYSA-N 469.998 3.590 50 10 JHGE CN(C(=O)c1c(Br)c(Br)nn1C)C1(CBr)CC(C)(C)C1 2364022184 NDJNFLXCQWPLNN-UHFFFAOYSA-N 472.019 3.971 50 10 JHGE O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C[C@H]1COc2ccccc2O1)C(=O)CCl 3039503 JIRKGYSWSLPLCD-WMZHIEFXSA-N 460.933 3.833 50 10 JHGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 12570230 NYMRQHBNRFOAOP-UHFFFAOYSA-N 490.796 3.907 50 10 JHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccc(C)c1 14650269 DORZYOUQNHARIZ-UHFFFAOYSA-N 464.385 3.886 50 10 JHGE CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl 25257138 QVYAKTNUBRZWKD-KRWDZBQOSA-N 455.317 3.562 50 10 JHGE CC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])c1 40593501 BZJICVDZDSNPOM-UHFFFAOYSA-N 471.817 3.650 50 10 JHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(C)c1C 59260963 FOWBVENGBLOZLB-YEEYNWEUSA-N 487.033 3.711 50 10 JHGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101332207 CDEYKFXDIXAXSB-UDWIEESQSA-N 452.470 3.533 50 10 JHGE CN1C(=O)Cc2ccc([C@@H](Br)c3csc(I)c3)cc2C1=O 124436515 GVGBREOHJATCJU-CQSZACIVSA-N 476.133 3.992 50 10 JHGE N#Cc1ccc(OCC(=O)NNC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 212411617 SAOFKZIIUWWKAE-SSZFMOIBSA-N 463.497 3.651 50 10 JHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OC)c3O)n2-c2ccccc2)cc1 254411535 OFIRZZLKPPQCFM-UHFFFAOYSA-N 489.557 3.900 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3O)nnc2-c2ccccc2)cc1 254489590 FMXPFKWOHZGADW-UHFFFAOYSA-N 459.531 3.891 50 10 JHGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccs3)nc3ccccc3c2=O)cc1 254867345 GZDDLCYKDILANT-UHFFFAOYSA-N 450.545 3.698 50 10 JHGE Cn1ncc([C@@H](Cl)c2cc3nc(O)[nH]c3cc2Br)c1I 379219053 RTBNUMZFTIXUDZ-JTQLQIEISA-N 467.492 3.697 50 10 JHGE Cc1cccc(NC(=S)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1C 727484563 NPYVQNDLBLNPNQ-UHFFFAOYSA-N 453.612 3.585 50 10 JHGE CN1C(=C(C#N)C(=O)CCC(=O)N2CCC[C@H](CN3CCCCCC3)C2)N(C)c2ccccc21 728532018 XEEKFEZBCNOXPH-OAQYLSRUSA-N 463.626 3.772 50 10 JHGE COc1ccccc1OCC(=O)NNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 730512582 NJYHNPWMOZAYEV-QFIPXVFZSA-N 458.873 3.834 50 10 JHGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(CCN3CCCCC3)c3ccccc32)c1 1084181098 XHHZDLCZBUHWNV-UHFFFAOYSA-N 462.594 3.850 50 10 JHGE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NNC(=O)c1sc2cc(F)ccc2c1Cl 1558911756 NAEKDELHRHIEJB-KRWDZBQOSA-N 459.930 3.991 50 10 JHGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(OCCCCCC)cc2)c1 1623952891 GFXVGERSFIZYBP-UHFFFAOYSA-N 456.564 3.518 50 10 JHGE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]21C 1857777554 YNNURTVKPVJVEI-PRZIMVISSA-N 455.378 3.736 50 10 JHGE C[C@H]([C@H](Br)c1scc(Br)c1Br)S(=O)(=O)N(C)C 1941960167 OODNOERWMGTGMQ-VDTYLAMSSA-N 470.046 3.989 50 10 JHGE O=S(=O)(N1CC(OCc2ccccc2)C1)N(Cc1ccccc1)C1(CBr)CCC1 1959173766 WQDKSCBLCUSKAF-UHFFFAOYSA-N 479.440 3.952 50 10 JHGE O=C(N[C@H]1CN(C(=O)OCc2ccccc2)CC12CCC2)N1CCC(Br)CC1 2044175452 JDEJOBNUSYJDEW-SFHVURJKSA-N 450.377 3.747 50 10 JHGE C[C@@H](Br)CN1CCN(C(=O)c2ccc(Br)cc2Br)CC1 2170215424 FXOKJFZTCXMELR-SNVBAGLBSA-N 469.015 3.753 50 10 JHGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)n(C)c1 2179807949 BLLUMZXNERSUJI-RBUKOAKNSA-N 455.418 3.924 50 10 JHGE CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(CBr)c2F)C1 2179860888 ZCPLGZZWOPOVHU-HNNXBMFYSA-N 459.356 3.755 50 10 JHGE Cn1ncc(-n2c(CCCl)nc3c(Br)cccc32)c1I 2280058175 SUUBVEVNCPVMST-UHFFFAOYSA-N 465.520 3.907 50 10 JHGE CNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(OC)cc1 2314593212 JPVXCBBNFPVTCI-GOSISDBHSA-N 472.364 3.630 50 10 JHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)CC1(C)C 2325587771 IBAOPTOHJMJFFY-OAQYLSRUSA-N 493.692 3.582 50 10 JHGE CCN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843298 RJQPUPPILMYKDC-RBUKOAKNSA-N 485.444 3.811 50 10 JHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(C)c(Br)c1 14662610 BCBABABWERGJTL-UHFFFAOYSA-N 486.160 3.620 50 10 JHGE N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1 15889120 MSCZVLPRXGQYJP-JLHYYAGUSA-N 469.526 3.712 50 10 JHGE COc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1 33785472 UFDKRHMWLLFFSZ-JXAWBTAJSA-N 478.482 3.707 50 10 JHGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 38653546 FQEATIMOLDGYMF-DEOSSOPVSA-N 473.441 3.806 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccccc1C 41015395 MHVKNZQAQTYRGS-LTGZKZEYSA-N 464.518 3.534 50 10 JHGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccccc2C(C)(C)C)c(OC)c1 206406214 WWNAOPKHZFMYSM-RGEXLXHISA-N 466.534 3.647 50 10 JHGE CC(=O)N(/C=C(/C#N)C(=O)Nc1ccc(I)cc1C)c1cccc(N)c1 217254086 OIHKBKSIDRRSFI-KAMYIIQDSA-N 460.275 3.581 50 10 JHGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1 254381947 ZBAIQMORWLRUPF-GYIQKQDUSA-N 475.480 3.721 50 10 JHGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(CN4CCOCC4)cc3)o2)cc1 254498250 QEGQTGRKGGAOPZ-UHFFFAOYSA-N 461.518 3.719 50 10 JHGE C=CCCC(C)=NNC(=O)CSc1nnc(SCC(=O)NN=C(C)CCC=C)s1 254766308 YBNGGFORAXVKQO-UHFFFAOYSA-N 454.647 3.639 50 10 JHGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(C)c2)ccc1OC(=O)/C=C\c1ccccc1 254834061 SOEVAHJQTOFVRV-GAZBOSLRSA-N 457.486 3.711 50 10 JHGE O=C(NC[C@H]1CCC[C@@H](CBr)C1)c1ccc(I)c(O)c1 312415558 GKXACKAMAXAACH-MNOVXSKESA-N 452.130 3.928 50 10 JHGE O=C(c1cc(Br)ccc1I)N1CCSC[C@@H]1CCl 387934884 RYRFQPQGHXDLLY-VIFPVBQESA-N 460.562 3.850 50 10 JHGE CN(Cc1ccccc1)C(=O)COC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 761409741 GFVCTPRAEVGPBQ-JCMHNJIXSA-N 453.502 3.573 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2cccc(Cn3cccn3)c2)c(-c2ccccc2)n1 918676920 DMUPLGWUMKRXLU-LFVJCYFKSA-N 461.529 3.932 50 10 JHGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2OC)ccc1OCc1ccc(F)cc1 1084010472 XLWBQVPITIOJPF-UHFFFAOYSA-N 465.481 3.901 50 10 JHGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1860563120 MOUDUSSBUMBBSV-UHFFFAOYSA-N 464.419 3.976 50 10 JHGE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc(C(=O)N(CC)CC)c1C 1860749411 CCXKMVXSCBAYEA-UHFFFAOYSA-N 488.591 3.866 50 10 JHGE Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866569784 DXDYPTGHLYLPHI-FQEVSTJZSA-N 466.588 3.947 50 10 JHGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1915750201 FNFJERVKISUTCY-UHFFFAOYSA-N 493.423 3.678 50 10 JHGE Cc1cccc(C(=O)N[C@@H](CBr)C[C@H]2CCCO2)c1I 1926742573 XNWRMYLCAGASQF-VXGBXAGGSA-N 452.130 3.662 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](Br)C(F)(F)C1 2034596636 VDRMYADWSQEPHO-SECBINFHSA-N 494.899 3.908 50 10 JHGE O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC(I)CC1 2077867892 RGZOJHOBNSKGJI-UHFFFAOYSA-N 464.550 3.691 50 10 JHGE O=C(c1cc(Br)ccc1I)N1[C@H](CCl)C[C@@H]2OCC[C@@H]21 2146699852 RUQCANIGHGOBRP-XDTLVQLUSA-N 470.532 3.665 50 10 JHGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(F)c(CBr)c1 2179786970 IEIVUCBWTOKVNI-UHFFFAOYSA-N 452.349 3.786 50 10 JHGE O=C(N[C@H](CBr)CC(F)(F)F)c1c(F)cccc1I 2267675124 XYKQHDHAWMQYKU-LURJTMIESA-N 453.999 3.876 50 10 JHGE CC1(C)OCCN(C(=O)c2ccc(Cl)c(I)c2)[C@@H]1CBr 2283664039 HPIKHCVOKIEAAP-GFCCVEGCSA-N 472.548 3.959 50 10 JHGE C=CC[C@@]1(CBr)CCN(C(=O)c2cc(I)ccc2O)C1 2287758952 WAODNHNJSXGECO-HNNXBMFYSA-N 450.114 3.800 50 10 JHGE O=C(c1cc(Br)c(Br)s1)N1C[C@@H](Br)[C@H]2COC[C@H]21 2308664634 YWOYTPABFKGYEI-LPBLVHEISA-N 459.985 3.507 50 10 JHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 2313619144 DTMCDVVCDOBPFH-UHFFFAOYSA-N 472.570 3.905 50 10 JHGE C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2322965144 DGFXOKJKXACBMV-QVKFZJNVSA-N 493.692 3.725 50 10 JHGE CC(C)Cn1c(CBr)nnc1-c1c(Br)c(Br)nn1C 2338708946 JIMOTEZCNLXWQU-UHFFFAOYSA-N 455.980 3.755 50 10 JHGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364207045 YDLIJTQFOXRFSN-ACZWYYKOSA-N 497.455 3.809 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2364214934 QLXPXEIDJJGXMC-BZSNNMDCSA-N 497.455 3.668 50 10 JHGE CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 8764036 BRQGIADUAFIHKE-XMHGGMMESA-N 498.586 3.600 50 10 JHGE Cc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 12500850 DCRKZHDIXXADTE-UHFFFAOYSA-N 472.364 3.625 50 10 JHGE CCCCC(=O)N/N=C\c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCC)c1 34984280 XOWYKBRNXONOOS-MYYYXRDXSA-N 458.511 3.971 50 10 JHGE O=C(COc1ccccc1)NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-] 40659492 OGJTVZVJTYNJTI-UHFFFAOYSA-N 471.477 3.640 50 10 JHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C)cc1C 41015649 ALODBRPBFUTIBJ-CJLVFECKSA-N 478.545 3.842 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CCc3ccc4c(c3)OCO4)cc2)cc1 59161005 VBEDRMZWVWEFOD-MFKUBSTISA-N 466.515 3.574 50 10 JHGE C#CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 59333004 FLQGUTFLQNWVEC-XDJHFCHBSA-N 497.336 3.559 50 10 JHGE O=C(N[C@@H](C(=O)NN=Cc1ccc(Cl)c(Cl)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 252592736 BFXQMTQSYYSVDM-OAQYLSRUSA-N 494.338 3.851 50 10 JHGE COc1cc(CBr)c(I)cc1I 306929532 BBHJQUQOHCVULG-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE CS(=O)(=O)Cc1c(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)oc2ccccc12 726497057 ZJQXUMFZESHUQM-UHFFFAOYSA-N 496.516 3.770 50 10 JHGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1084054656 IYHYUDITWGZDOZ-UHFFFAOYSA-N 471.026 3.926 50 10 JHGE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CC1 1260512116 GFBGZTKAUVBNRL-WKILWMFISA-N 461.422 3.943 50 10 JHGE C=C[C@](C)(O)CC(=O)NNc1c(Br)cc(Br)cc1Br 1628687486 QHENQMPLULXCLH-LBPRGKRZSA-N 456.960 3.744 50 10 JHGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3sc4cc(F)ccc4c3Cl)cc2C1=O 1638153665 HPKGXLWYBSGNAX-UHFFFAOYSA-N 457.870 3.551 50 10 JHGE N#CSc1ccc(NC(=O)C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)nc2)cc1 1860742102 CEZVRQGUSHNWJC-UHFFFAOYSA-N 458.547 3.559 50 10 JHGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc(Br)c1O 1865687789 AKJNALKIIHINEA-SFHVURJKSA-N 468.311 3.661 50 10 JHGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NC(=O)[C@H](Br)C2CCCC2)C(C)(C)C1 2132805248 UPPKIRWPUFAVAZ-IYJVBRSBSA-N 451.427 3.964 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146694342 QPEQRTCMNXKFCI-XDTLVQLUSA-N 470.532 3.712 50 10 JHGE CN(C[C@H]1CCCCN1S(=O)(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2163054872 AZNISFMCUZUZMI-MRXNPFEDSA-N 461.422 3.992 50 10 JHGE O=S(=O)(c1cscc1Br)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 2163289371 QJDWTYKVDSMBHA-RNFRBKRXSA-N 457.131 3.705 50 10 JHGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1occc1CBr)C2 2179829488 BKSOEYOALSWZGO-BGYRXZFFSA-N 453.402 3.707 50 10 JHGE O=C(c1ccc(Cl)c(I)c1)N1CCOC[C@H]1CCBr 2268345534 NXVDVGXSTLLONQ-SNVBAGLBSA-N 458.521 3.571 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CCC(Br)CC2)C[C@@H]1C(F)(F)F 2279227811 KSYVNKYDZPSWJE-QWHCGFSZSA-N 458.319 3.886 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(CCOCCI)C2)C1 2326640426 CSBZTSQEHRSSCC-IRXDYDNUSA-N 466.404 3.797 50 10 JHGE Clc1ccc(CN2C[C@H]3CCO[C@@]3(CBr)C2)cc1I 2337217692 AEIWCEWVCVEWHU-RISCZKNCSA-N 456.549 3.930 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](Br)CC1(C)C 2338686992 SFZVNNGCHFTESS-SSDOTTSWSA-N 457.992 3.723 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)CCC12CC2 2338834370 WPLYPFITLXBFPN-INIZCTEOSA-N 483.428 3.565 50 10 JHGE O=S1(=O)CC[C@H]([C@H](CBr)Cc2ccc(Cl)cc2I)C1 2341026856 FHLRRCMHGIKOJV-QWRGUYRKSA-N 477.589 3.933 50 10 JHGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13982121 VCNXVLCHTOLCHL-UHFFFAOYSA-N 484.921 3.630 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14031654 LWWAQWSLTZWOBR-HNNXBMFYSA-N 457.324 3.904 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)ccc1Cl 14040876 QXZPUWUJMCTYQE-UHFFFAOYSA-N 454.910 3.946 50 10 JHGE C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(F)cc2F)o1 16322173 XDPSVKJOQKAXKE-ZGUVFNMESA-N 454.462 3.831 50 10 JHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-] 40659552 MLTSUQUOCBEPPO-UHFFFAOYSA-N 481.271 3.965 50 10 JHGE CCOc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(N)=O)cc1OC 40890764 UPBRBFHOSFAXDI-KSHOZRLPSA-N 471.307 3.867 50 10 JHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(O)cc2Br)cc1 58895011 XBRBGCYREOVHNC-QRAWFLTRSA-N 465.344 3.916 50 10 JHGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 102858003 BEOSDPJWSGAXSD-QDUHJBTASA-N 490.585 3.538 50 10 JHGE COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 169879897 UUIGSWNLGINBMD-QGMBQPNBSA-N 457.078 3.892 50 10 JHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@@H]2C[C@H]3CCCC[C@@H]3O2)C1 379163902 YUUNYQKKPGGMSM-OLMNGRFOSA-N 451.345 3.774 50 10 JHGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2sncc2Br)C1 719879494 PYOYQYFODMAXNY-QMMMGPOBSA-N 496.084 3.659 50 10 JHGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 1084178105 NFLJZBRCTCLCIH-SFHVURJKSA-N 492.963 3.993 50 10 JHGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(-c2ccc(CC)cc2)[nH]n1 1556057147 NWYFSADVWAEHAG-SFHVURJKSA-N 455.559 3.650 50 10 JHGE O=C(NNc1ccc(OCCOc2ccc(Cl)cc2)cc1)[C@H]1CCCN1C(=O)C(F)(F)F 1858080939 YLDUZLVLAQNRPN-GOSISDBHSA-N 471.863 3.794 50 10 JHGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 1865759030 FGBKIGDQXFVAIS-OVCLIPMQSA-N 461.518 3.947 50 10 JHGE CCCc1nc(Br)c(Br)n1CCOCCI 1904648921 MYIVEQQOEAVSKC-UHFFFAOYSA-N 465.955 3.812 50 10 JHGE CC(C)(C)OC(=O)NCCCN(c1cccc(Br)c1)S(=O)(=O)CCCl 2044685986 FWFGKJMEYJFDID-UHFFFAOYSA-N 455.802 3.739 50 10 JHGE C[C@@H]1[C@@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C2CCN1CC2 2077344985 ZQSYXWRREXKDGL-GDBMZVCRSA-N 464.388 3.690 50 10 JHGE CC[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2114196106 HVYDWIRTNBQCBX-ROUUACIJSA-N 485.444 3.667 50 10 JHGE O=C(c1cc(I)sn1)N1CC2(CCCC2)C[C@H]1CBr 2120028058 YHEVBBWNXVHPSG-VIFPVBQESA-N 455.159 3.918 50 10 JHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1ccc(F)cc1Br 2136495511 ARZOZSWHMZNJGR-KCJUWKMLSA-N 464.138 3.716 50 10 JHGE CCn1cc(S(=O)(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)cc1CBr 2179784925 FXOWQSZCYMBPQF-DLBZAZTESA-N 454.434 3.686 50 10 JHGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)c(Br)c(Br)c1O 2294171990 QOENKXDFCOKTOB-UHFFFAOYSA-N 456.090 3.742 50 10 JHGE N#CC(C(=O)N1CCOCC1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296507186 XNJOOTSUTMAJAO-FQEVSTJZSA-N 453.951 3.625 50 10 JHGE O=C(c1ccc(I)c(Cl)c1)N1CC2(CC[C@@H](CBr)O2)C1 2361987955 NIUCWSWHNUTAHQ-JTQLQIEISA-N 470.532 3.713 50 10 JHGE C[C@@]1(CCl)CC(F)(F)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364202526 TVESCTRFULZPNM-IBGZPJMESA-N 462.946 3.511 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)[C@@H]1CC=CCC1 2364214944 QNMQJDPTQRRNFD-XLIONFOSSA-N 497.455 3.882 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCCl)Cc1ccsc1 2364216033 YFZXOZGMQBLREZ-UHFFFAOYSA-N 469.028 3.975 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)CC2(CCC2)C1 2364230794 QRDZERRCIISBNT-MRVPVSSYSA-N 470.003 3.725 50 10 JHGE CCOc1cccc(CBr)c1OCc1nn(C)cc1I 2367618533 ADPSPEXQZVSXBG-UHFFFAOYSA-N 451.102 3.897 50 10 JHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1 14029810 RCFHYCAPILGIRE-UHFFFAOYSA-N 464.385 3.967 50 10 JHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)/C=C\c1ccc(F)cc1 33731615 FIHWYQWRDJXOHF-DAXSKMNVSA-N 486.135 3.899 50 10 JHGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccncc1 40658941 GOXKWLWWYNOIFK-UHFFFAOYSA-N 482.254 3.640 50 10 JHGE COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccccc2Cl)cc(Br)c1O 100437470 AWPMFUPIPPQEEV-UFFVCSGVSA-N 454.708 3.686 50 10 JHGE CN(C)S(=O)(=O)CCC(CBr)(CBr)c1ccccc1Br 383627942 ICBIJLIXINSBPO-UHFFFAOYSA-N 492.071 3.758 50 10 JHGE Cc1ccc(C(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)cc1I 728111140 CXEFYOZUTGLEKU-UHFFFAOYSA-N 487.297 3.647 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)cc1 1675216442 BTOHCBYYOAATHP-RNODOKPDSA-N 455.408 3.604 50 10 JHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Nc4cccc(Cl)c4)c(=O)c23)C1 1860772180 UETXLVLMFVXRBT-NWDGAFQWSA-N 459.959 3.650 50 10 JHGE O=C(N[C@@H](C[S@](=O)C[C@@H]1C[C@@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877475815 HHDGURMDMYIUHK-GRRRPWRNSA-N 492.391 3.510 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164660380 XLCDHLWHHDTMSU-GAFUQQFSSA-N 450.114 3.775 50 10 JHGE Clc1ccc(I)c(CN2C[C@H]3COC[C@]3(CBr)C2)c1 2226182758 QQNMJCDGOPVFFK-FZMZJTMJSA-N 456.549 3.788 50 10 JHGE Cc1ccc(C(=O)N2CCC[C@@H](OCCBr)C2)cc1I 2232829204 HJGPFPPQBCMNPH-CYBMUJFWSA-N 452.130 3.616 50 10 JHGE Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CCC2(C)C)cc1CBr 2239858587 LKZUDYNSYVKAJC-UHFFFAOYSA-N 454.434 3.595 50 10 JHGE COc1cc(C=NNC(=O)COc2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc(Br)c1O 2297710327 BWKNGUSNNFAAOU-UHFFFAOYSA-N 493.097 3.907 50 10 JHGE CCc1cnn(CCO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c1 2322612495 WYMRAGJFBCNKJT-GOSISDBHSA-N 463.360 3.667 50 10 JHGE COc1ccc(CCNC=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1 2325406043 OKADXJURIANONW-UHFFFAOYSA-N 461.303 3.787 50 10 JHGE CC(C)[C@@H]1C[C@](C(=O)O)(N(C)C[C@H]2C[C@@H](Br)C2)CN1C(=O)OCc1ccccc1 2350456159 NLKULGJOVPGTRD-WEMPKCCASA-N 467.404 3.982 50 10 JHGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2C(=O)c1c(Br)c(Br)nn1C 2364006345 FAZXQSKRTGJTBR-FNCVBFRFSA-N 470.003 3.722 50 10 JHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1C 12502742 CLEVCRXZOFZTKJ-UHFFFAOYSA-N 488.613 3.876 50 10 JHGE COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 33531799 CNEKOPLBWVWIOI-DEOSSOPVSA-N 473.529 3.643 50 10 JHGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(OCC)cc2)c(OC)c1 40991312 WIHUBOGOKZDXMR-XMHGGMMESA-N 452.507 3.902 50 10 JHGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 102684245 IJXRIZMWBQFZIU-TXOBRMIJSA-N 472.545 3.986 50 10 JHGE N#C/C(=C/N(CCO)Cc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216498014 JQEBCFNUAACXDN-COOPMVRXSA-N 480.612 3.822 50 10 JHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2cc(Cl)ccc2I)C1 311500266 FCGHJRNMXVTJQD-NXEZZACHSA-N 458.521 3.569 50 10 JHGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)COC3)c(-c2ccccc2)n1 746532762 ALQGXYDQWQOPQT-CIAFOILYSA-N 452.470 3.827 50 10 JHGE CNC(=O)c1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 914575963 GZVNFAXEZLTXIV-MOSHPQCFSA-N 472.936 3.700 50 10 JHGE CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNc1cc(C(F)(F)F)ccc1Br 1557048154 UBLIWEOJKAAFRO-KRWDZBQOSA-N 456.262 3.884 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CCC(CBr)CC2)C1 1916948339 SFRQCBIDTSVDEU-UHFFFAOYSA-N 497.455 3.670 50 10 JHGE CCc1sc2nc(SCC(=O)C(C#N)=C(C)N)n(-c3cccc(OC)c3)c(=O)c2c1C 2040429079 PAGWESPTUVPEJD-UHFFFAOYSA-N 454.577 3.744 50 10 JHGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2C[C@H](n3cccn3)C2)CC1 2063775099 GTWXQMSAEXFCPK-SHTZXODSSA-N 461.344 3.808 50 10 JHGE CC[C@H](C)[C@H](CI)NC(=O)c1ccc(I)c(O)c1 2081236708 RDLFVCSXDCWEDY-KWQFWETISA-N 473.092 3.576 50 10 JHGE O=C(Cc1ccccc1I)N1CCS[C@H](CCBr)C1 2087571606 FZGKRNCQHVTWRT-GFCCVEGCSA-N 454.171 3.563 50 10 JHGE Brc1cccc(Br)c1CN1CCN2C[C@H](Br)C[C@@H]2C1 2094088917 QMBDVTOATDBVQY-GHMZBOCLSA-N 453.016 3.865 50 10 JHGE C[C@H](CBr)CS(=O)(=O)N1CCCCN(Cc2ccccc2)CC(F)(F)C1 2127137859 VRRDXWZKUSNITP-MRXNPFEDSA-N 453.393 3.581 50 10 JHGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC12CCC2 2163050380 JJHRSJBCVNOUMA-INIZCTEOSA-N 459.406 3.649 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@](=O)(=NCC1(CBr)CCOCC1)C2 2163064414 UMCNKUBQSFQPDF-UZTOHYMASA-N 465.454 3.820 50 10 JHGE CN1CCN(C(=O)c2c(Br)cccc2Br)[C@@H](CCBr)C1 2202810905 BOPXBWTVTNVVNU-JTQLQIEISA-N 469.015 3.753 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2COC[C@]2(CBr)C1 2226184128 VRMHIBOQCWSMNP-KRTXAFLBSA-N 474.012 3.757 50 10 JHGE O=C(c1cc(Br)sc1Br)N1C[C@@H]2OCC[C@@]2(CBr)C1 2278886567 GFWAYLDHFJLSFF-QPUJVOFHSA-N 474.012 3.899 50 10 JHGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2296849750 MSBWQPGDXBIXSQ-IBGZPJMESA-N 489.601 3.613 50 10 JHGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(OCC)cc2)c(OC)c1 2314785885 WIHUBOGOKZDXMR-UHFFFAOYSA-N 452.507 3.902 50 10 JHGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC[C@H]2CCc3nccn32)C1 2326869450 LFKLBZZECRAISJ-RDTXWAMCSA-N 461.344 3.592 50 10 JHGE COc1ccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c(Br)c1O 2328835222 JWZWJRYNNOMMBS-UHFFFAOYSA-N 458.353 3.699 50 10 JHGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cc(Br)cc(OC)c3OC)nc2c1 2331046432 WGFZGAMZJRPKST-UHFFFAOYSA-N 470.279 3.966 50 10 JHGE C[C@@H](Br)C[C@H]1CCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338849966 NTCOGZPAYGRDAO-IAGOWNOFSA-N 485.444 3.811 50 10 JHGE CO[C@@H]1[C@H](OC)CN(Cc2ccc(Cl)cc2I)[C@H]1CBr 2366703817 GTVJKDLHNXBFGY-MJBXVCDLSA-N 474.564 3.554 50 10 JHGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623279 ZDCJEVWQDFDEPV-NOZRDPDXSA-N 471.557 3.707 50 10 JHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 13978979 BGZCEUURBUVOBU-UHFFFAOYSA-N 478.412 3.770 50 10 JHGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@]23CC[C@@](C)(c4nc5cc(C)c(C)cc5nc42)C3(C)C)cc1 33380116 LTBBIEMAMIJAQU-IZZNHLLZSA-N 478.618 3.894 50 10 JHGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CCc2ccc3c(c2)OCO3)cc1 59160314 MNQKIOFRYSMKMO-MFKUBSTISA-N 466.515 3.574 50 10 JHGE CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1 96030803 MUQNGPZZQDCDFT-NFEIWWRFSA-N 454.966 3.889 50 10 JHGE in-vitro Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cc(=O)n4nc(C)sc4n3)cc2)cc1 102444222 HHCDQKPLEOTBIA-WQRHYEAKSA-N 457.515 3.893 50 10 JHGE COc1ccc2c(c1)c(CC(=O)NNC(=O)NC(C)C)c(C)n2C(=O)c1ccc(Cl)cc1 745146266 FSFDKHCCYFBNLU-UHFFFAOYSA-N 456.930 3.582 50 10 JHGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c(C(=O)O)c1OC 1082753792 LEBPMOWXKWYRNS-UHFFFAOYSA-N 461.474 3.727 50 10 JHGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(OC)c1 1083971185 QTRGDGYFIIAEMX-UHFFFAOYSA-N 488.573 3.979 50 10 JHGE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 1260507546 PBOZAMIXJBRMKF-INIZCTEOSA-N 461.422 3.849 50 10 JHGE C=COc1ccc(NC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 1310861776 ZCVYMHLCMQLIQR-UHFFFAOYSA-N 458.521 3.538 50 10 JHGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)c1 1637299366 WCPNNPMFVCNPCL-RLLQIKCJSA-N 456.612 3.944 50 10 JHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 1772719775 VGLBCJCFAROMTG-UHFFFAOYSA-N 473.529 3.965 50 10 JHGE CSCc1ccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860770826 YOYIUOXGNUZLAY-UHFFFAOYSA-N 478.599 3.758 50 10 JHGE O=C(NC[C@@]1(CCl)CCCO1)c1ccc(I)c(Br)c1 1879595677 MPERGGNLEJHUJF-ZDUSSCGKSA-N 458.521 3.572 50 10 JHGE CCCc1nc(C[C@H](Br)CN2C(=O)c3ccccc3C2=O)c(Br)[nH]1 1905342032 GUESDTQIWDEWKB-JTQLQIEISA-N 455.150 3.727 50 10 JHGE COC[C@@](C)(CCl)CNC(=O)c1cc(Br)ccc1I 1926967394 PNOXVLABIRXDBG-ZDUSSCGKSA-N 460.537 3.675 50 10 JHGE CC(C)(C)OC(=O)N[C@@H](CBr)[C@H]1C(=O)Nc2c(Br)cc(F)cc21 1984041370 XNPWTVNHANVKQD-QWRGUYRKSA-N 452.118 3.912 50 10 JHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2scc(Br)c2Br)C1 2046663202 FTHWKCONEAZLJI-NKWVEPMBSA-N 462.001 3.898 50 10 JHGE CC1(C)CCC[C@]1(CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2094152299 WUVCDANAAPFUIL-OAQYLSRUSA-N 485.444 3.716 50 10 JHGE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)CI)c1ccc2ccccc2c1 2123077025 MVBIVTXTGLXEMX-INIZCTEOSA-N 490.363 3.718 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1ccsc1CBr)C2 2123284907 SZBWALOUIOJQBB-VQIMIIECSA-N 455.443 3.786 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2164657515 XLCDHLWHHDTMSU-GAFUQQFSSA-N 450.114 3.775 50 10 JHGE C[P@]1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 2177849248 PJJVLVNXPNRIAG-QFHRKFJASA-N 465.531 3.519 50 10 JHGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)C1CCC(CBr)CC1)C2 2179831254 VCWNTPXNMUJMOM-OPWVIFHQSA-N 455.462 3.724 50 10 JHGE O=C(c1ccc(I)c(O)c1)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2184579176 XOLJOXOYEJSHRJ-YHPBZONMSA-N 450.114 3.775 50 10 JHGE O=C(NC[C@@]12CCC[C@]1(CBr)C2)c1cc(I)ccc1O 2208039057 IOXSNBRHYBPBMT-CABCVRRESA-N 450.114 3.682 50 10 JHGE CCCn1nc(Br)cc1C[C@@H](Br)CN1C(=O)c2ccccc2C1=O 2209404825 ISEGFBMABNBWGX-LLVKDONJSA-N 455.150 3.658 50 10 JHGE O=S(=O)(Cc1ncsc1Br)N(CCBr)Cc1ccccc1 2209552488 BBACUTCHTDAPEY-UHFFFAOYSA-N 454.209 3.633 50 10 JHGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NCCCCCI)C1 2211183637 HFJFHWMCOAUKHP-ZUGFLLEASA-N 458.406 3.993 50 10 JHGE C[C@@H](CCl)CS(=O)(=O)Nc1ccc(Br)cc1I 2217191097 QRWSBHCDJGFNQK-ZETCQYMHSA-N 452.539 3.670 50 10 JHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2ccc(Cl)c(I)c2)C1 2268344194 ZJFXAVYATGDCGU-VHSXEESVSA-N 458.521 3.569 50 10 JHGE Cc1sc2ncn(CC(=O)NN=Cc3ccc([N+](=O)[O-])s3)c(=O)c2c1-c1ccccc1 2325904218 XYDLBWCVPIAXHQ-UHFFFAOYSA-N 453.505 3.553 50 10 JHGE CN(C)C[C@@H]1C[C@H](Cl)CN1Cc1ccc(I)c(Br)c1 2349862866 RKVLHYLXZRYHBI-RYUDHWBXSA-N 457.581 3.797 50 10 JHGE O=C(NCC(F)(F)C(F)(F)CBr)c1cccc(F)c1I 2361671486 WSIDOXDZFAKZMN-UHFFFAOYSA-N 471.989 3.826 50 10 JHGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)c1 8451738 RKQNTMGDOCXDJL-UHFFFAOYSA-N 484.578 3.822 50 10 JHGE COc1ccc(C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1Br 12502738 FSKZVEVXWQVKSU-UHFFFAOYSA-N 498.402 3.925 50 10 JHGE COc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650640 SBUOPJYUULJRBX-UHFFFAOYSA-N 465.344 3.723 50 10 JHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1 58893905 BDHMCKZTYHEYLB-YFPMVAJYSA-N 469.321 3.819 50 10 JHGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1ccncc1 58991764 QFOLUAJRMUJCGS-UVHMKAGCSA-N 493.980 3.529 50 10 JHGE COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)O)cc1 59167272 ILSLTIAJJVHBNL-AFUMVMLFSA-N 463.446 3.573 50 10 JHGE CCCCCn1nc(C(=O)NNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c2ccccc2c1=O 107918335 HTJPXIQZUOCLOR-UHFFFAOYSA-N 466.586 3.736 50 10 JHGE COc1cc(Br)c(C=NNC(=O)c2cccc(I)c2)cc1OC 252627685 RZOAJEFRIRQJLM-UHFFFAOYSA-N 489.107 3.835 50 10 JHGE C=CCc1cccc(C=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)c1O 254509522 HKAJFHNHEYQPAD-AWEZNQCLSA-N 469.563 3.573 50 10 JHGE O=C1[C@H](Br)CCCN1c1cc(I)ccc1Br 300904497 NBDGYKZZMJAQQW-SECBINFHSA-N 458.919 3.944 50 10 JHGE C[C@H](Br)C(=O)c1ccc(I)c(I)c1 307439153 VBHMSDXGMJEHKF-YFKPBYRVSA-N 464.866 3.862 50 10 JHGE O=C(c1cc(Cl)ccc1I)N1CCSC[C@H]1CBr 387855422 FVUCHOUBJWGDFK-SECBINFHSA-N 460.562 3.897 50 10 JHGE O=C(NNC(=O)[C@@H]1CCCN1c1ncnc2sccc12)c1ccccc1OCc1ccc(F)cc1 728456745 WJIOZEDJJFMOHW-FQEVSTJZSA-N 491.548 3.839 50 10 JHGE O=C(NN=Cc1ccc(N2CCCC2)o1)c1cc(Br)c(O)c(Br)c1 1084077626 IROILRJKNIKVRJ-UHFFFAOYSA-N 457.122 3.874 50 10 JHGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 1084096988 JPXPZGYRWBLPON-NRFANRHFSA-N 462.502 3.967 50 10 JHGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)c1cc(Br)ccc1O 1084354315 NEUVBTFJWOPBNN-UHFFFAOYSA-N 458.272 3.629 50 10 JHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1)Nc1ccc(F)cc1 1084427738 DCBJWUSOEKDZTK-UHFFFAOYSA-N 468.872 3.585 50 10 JHGE Cc1cc(C=NNC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084622041 WISOQSQVHAFRAS-UHFFFAOYSA-N 458.349 3.953 50 10 JHGE CN(C)c1ccc(/C=N/NC(=O)c2ccccc2NC(=S)N/N=C/c2ccc(N(C)C)cc2)cc1 1615949295 KSRCMNIQQQQHIX-XUIWWLCJSA-N 487.633 3.903 50 10 JHGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)cc1 1660118046 FQXKUQWRFZBFDW-AEFFLSMTSA-N 453.543 3.592 50 10 JHGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 1772752282 MAASDABQPLHIFO-UHFFFAOYSA-N 464.865 3.694 50 10 JHGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H]2CCCCO2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867247198 AHLXBKGJUYKENN-GMAHTHKFSA-N 481.574 3.810 50 10 JHGE O=C(NC[C@]1(CBr)CCCO1)c1ccc(Br)cc1Br 1879605059 OJEHANQZMKENNR-CYBMUJFWSA-N 455.972 3.886 50 10 JHGE Clc1ccc(CO[C@@H]2COC[C@H]2I)c(I)c1 1901597251 STFNHUMNEPJQNF-GHMZBOCLSA-N 464.468 3.664 50 10 JHGE C[C@H](CBr)N(C)C(=O)c1ccc(Br)cc1I 1995286729 XRPCHUHBRXXLHD-SSDOTTSWSA-N 460.935 3.909 50 10 JHGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)[C@H]1CCOC1 2009621158 BPKFPPMXRNTJRJ-ZDUSSCGKSA-N 479.190 3.917 50 10 JHGE CN1CC[C@H]([C@H](Br)c2cccc(Br)c2Br)S1(=O)=O 2031486952 ZXRYVOYELMKNPH-MWLCHTKSSA-N 462.001 3.682 50 10 JHGE CCCN1CC[C@@H]([C@@H](Br)c2cccc(F)c2I)S1(=O)=O 2145767826 FIJZKFXPFOSGDB-RYUDHWBXSA-N 476.149 3.680 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189070072 ZZQKXALBYBWGJH-WOFXILAISA-N 467.983 3.694 50 10 JHGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1ccc(I)c(Cl)c1 2190183364 LGJOMGGADBUDRO-KBPBESRZSA-N 470.532 3.761 50 10 JHGE CC(C)CCNC(=O)C(C#N)=C1N=C(NC(=O)c2ccc(Br)o2)c2ccccc21 2296262858 ATZPDILDOKFTIR-UHFFFAOYSA-N 455.312 3.629 50 10 JHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2OCC[C@@]2(CCl)C1 2296369782 NVYHJTSBRQAYKF-GXTWGEPZSA-N 470.532 3.524 50 10 JHGE CC(C)(CI)CN1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 2306819813 XVMWYEMPIXGUDL-BDAKNGLRSA-N 460.200 3.521 50 10 JHGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@@H]4CCCO4)c(=O)oc3c2)cc1 2314751159 TWEAAMPTMUQRLQ-QFIPXVFZSA-N 488.496 3.613 50 10 JHGE CC(C)C[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823341 AENMJMRXZFSYID-INIZCTEOSA-N 473.433 3.572 50 10 JHGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(N2CCN(C)CC2)cc1 2325309699 UPVLVUKQSNYKCX-UHFFFAOYSA-N 461.566 3.853 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](Cl)C[C@H]2C1 2364214309 MOPXMEYRWOAJMC-OKZBNKHCSA-N 453.004 3.512 50 10 JHGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H](Br)c1ccccc1 2364229541 ZAXBNARYKCPQRV-SECBINFHSA-N 465.971 3.811 50 10 JHGE CCCCn1c(=O)c(CCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)nc2ccccc21 3303999 RJUOGLXKONTVPT-UHFFFAOYSA-N 471.517 3.514 50 10 JHGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl 12489916 ZKBOVHZPROTFRF-UHFFFAOYSA-N 476.154 3.978 50 10 JHGE O=C(COc1ccccc1Cl)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 13976867 BJNFZBKZBYSIKJ-UHFFFAOYSA-N 453.951 3.573 50 10 JHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccccc1Cl 13981431 XSJNQRYZGYLIQT-RMKNXTFCSA-N 482.787 3.525 50 10 JHGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])c1 40619467 OZWWBVNHSIUHRL-UHFFFAOYSA-N 489.286 3.665 50 10 JHGE CCn1c(NNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O 46538710 SYITTYYRNKYJFT-QFIPXVFZSA-N 489.963 3.554 50 10 JHGE C=CCn1nc(C)c(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccccc3)n2CC=C)c1C 59829817 NTEWKXDLLWFPDE-UAHQCSBISA-N 478.626 3.706 50 10 JHGE CCOc1ccc(NCc2nnc(S[C@H](C)C(=O)NNC(=O)C(C)C)n2-c2ccccc2)cc1 59844884 YPOSZYPDQLTWHF-QGZVFWFLSA-N 482.610 3.562 50 10 JHGE COc1ccc(CBr)c(I)c1I 307653664 PYWYQXMZHIBKFB-UHFFFAOYSA-N 452.855 3.799 50 10 JHGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(O)cc(O)c2)C1 382692833 ULIPYZOKGRXGAL-CRAIPNDOSA-N 453.276 3.885 50 10 JHGE CO[C@@]1(CBr)CCN(C(=O)c2cc(Br)ccc2Br)C1 401509198 UTHJDAHEVYTOQU-CYBMUJFWSA-N 455.972 3.838 50 10 JHGE C=CCN1CCC(NC(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)CC1 1221806484 GZRBGBVJOJNALR-UHFFFAOYSA-N 456.974 3.822 50 10 JHGE C=CCn1c(SCC(=O)NNC(=O)C(C)(C)C)nc2cc(-c3ccccc3)sc2c1=O 1458866428 ZIXBEXHANPKXRZ-UHFFFAOYSA-N 456.593 3.597 50 10 JHGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865709386 AYJZLKQTLYFKMS-FQEVSTJZSA-N 479.880 3.986 50 10 JHGE CC(C)SCc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)o1 1865851879 JDVKICRGSMMEKG-ZDUSSCGKSA-N 474.608 3.594 50 10 JHGE Cc1nccc(-n2nc(CBr)c(I)c2C(F)(F)F)c1N 2078923835 LHHUQKFETVCURT-UHFFFAOYSA-N 461.023 3.676 50 10 JHGE CCN1CC[C@H]([C@H](Cl)c2ccc(I)c(Br)c2)S1(=O)=O 2089535829 OKQXUCXTPIKWEA-VXGBXAGGSA-N 478.577 3.758 50 10 JHGE CC1(C)CN(S(=O)(=O)c2ccc(CCBr)s2)CCN1Cc1ccccc1 2123241421 JGWARSBMSGRBQS-UHFFFAOYSA-N 457.459 3.971 50 10 JHGE O=S(=O)(c1csc(CBr)c1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2123242957 CUBOYBUQTKHMPH-IBGZPJMESA-N 455.443 3.930 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNS(=O)(=O)c3ccc(CBr)cc3)C[C@H]21 2205602302 DSXWDPNPNSWZMS-USXIJHARSA-N 459.406 3.505 50 10 JHGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)Cc1ncsc1Br 2213759684 QNJATYNBUNDDGT-CYBMUJFWSA-N 498.262 3.648 50 10 JHGE N#Cc1cc(I)c(OCCCCI)c([N+](=O)[O-])c1 2256327526 OZTGWODVFGIRSC-UHFFFAOYSA-N 472.020 3.665 50 10 JHGE CC(C)(CNC(=O)c1ccc(Cl)c(I)c1)OCCBr 2268357257 JFEBKNKQPINGRI-UHFFFAOYSA-N 460.537 3.865 50 10 JHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(C)c2O)cc1OC 2297624389 VCYLPJIWHYHYBT-UHFFFAOYSA-N 459.502 3.639 50 10 JHGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2338849119 DIBZHAHERWQONZ-GOSISDBHSA-N 485.444 3.668 50 10 JHGE CCN(C(=O)c1c(Br)c(Br)nn1C)[C@@H]1CCC[C@@H]1Br 2338863560 LQHNDXFUGULFQL-JGVFFNPUSA-N 457.992 3.723 50 10 JHGE Clc1ccc(I)cc1CN1C[C@@H]2OCC[C@@]2(CBr)C1 2352418336 UJCPXJMFWXGUQI-UONOGXRCSA-N 456.549 3.930 50 10 JHGE CCC[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CCl 2364208853 MOZIUEZXHDJALH-ZWKOTPCHSA-N 455.020 3.760 50 10 JHGE C/C(=N/NC(=O)CC(=O)N/N=C(\C)c1cccc(Br)c1)c1cccc(Br)c1 12378927 DEARAIKFBRNWTK-SEKXJNOLSA-N 494.187 3.982 50 10 JHGE COc1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCC(C)C 14650749 ZRVGSLLSZBPXSW-UHFFFAOYSA-N 465.344 3.723 50 10 JHGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC(C)C 14668713 LAWRTWWISIVWMA-UHFFFAOYSA-N 492.395 3.750 50 10 JHGE CCOC(=O)[C@]1(OC(=O)C(Cl)Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 95670328 QAIOVDNCIZSSSF-LQCPAYEPSA-N 485.404 3.914 50 10 JHGE investigational N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250861 BDMXLFWECYGGEU-PFONDFGASA-N 498.914 3.711 50 10 JHGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(O)ccc2Cl)c1 252643526 ZVIXQRVUODKNCI-BTJFMGARSA-N 479.920 3.984 50 10 JHGE Cc1ccc(SCc2c(C(=O)NN=Cc3cccc4ccccc34)nnn2-c2nonc2N)cc1 254414592 IWBQNISDAGIIFG-UHFFFAOYSA-N 484.545 3.750 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1CBr 704001056 WPCRNZQBFTVYJJ-UHFFFAOYSA-N 465.369 3.646 50 10 JHGE COCCCN1CCC(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 727105616 HRHIROCYOPXIFS-SILNSSARSA-N 481.000 3.641 50 10 JHGE O=C(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1)NCc1ccccc1 1084577577 DNDVZKZUXKSOEK-UHFFFAOYSA-N 478.936 3.514 50 10 JHGE C=CCC[C@H](NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1 1564407058 UZRRIOHQWKYIRF-KRWDZBQOSA-N 456.509 3.986 50 10 JHGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)Nc1ccc(C)cc1Cl 1633821258 QAUKYLKKIJCROX-UHFFFAOYSA-N 454.708 3.845 50 10 JHGE Cc1c(C(=O)NNC(C)(C)C)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772746273 UBCYBDVCDFKUHB-UHFFFAOYSA-N 461.360 3.854 50 10 JHGE Cc1ccc(CCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860770119 ULIXIBSGTHDGJP-UHFFFAOYSA-N 460.559 3.522 50 10 JHGE CC1(C[S@](C)(=O)=NC(=O)[C@@H](Br)C2CCCC2)CN(C(=O)OC(C)(C)C)C1 1877873381 VBZFYTFYULODFD-RXBISOJRSA-N 451.427 3.822 50 10 JHGE CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1cc(CC(=O)OC(C)(C)C)cc(B(O)O)c1 1887512029 JKAGCOOMXGRJMC-UHFFFAOYSA-N 487.361 3.636 50 10 JHGE CC(C)c1nc(C[C@@H](Br)CN2C(=O)c3ccccc3C2=O)c(Br)[nH]1 1905345304 ZTKPVKBQBHWKRO-SNVBAGLBSA-N 455.150 3.898 50 10 JHGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1csc(Br)c1Br 2039821158 IDZXONJZWCBOCR-BQBZGAKWSA-N 462.001 3.803 50 10 JHGE CCOc1ccc(N2C(=O)C(=CNNC(=O)CN3CCCc4ccccc43)c3ccccc3C2=O)cc1 2042445340 ISZAESFDXBTYES-UHFFFAOYSA-N 496.567 3.687 50 10 JHGE C=C(Br)CN(C)S(=O)(=O)c1ccc(Br)c(CBr)c1 2059388185 KLMRAIAPPGEYIB-UHFFFAOYSA-N 462.001 3.873 50 10 JHGE CC(C)C1=CC(=O)[C@@](C)(Br)[C@@H](Br)C1=NS(=O)(=O)c1ccccc1 2059867842 DVKJIDDNNDDYAO-JKSUJKDBSA-N 463.191 3.899 50 10 JHGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1ccc(F)cc1I 2089399964 JNYSXWOZMNHWJW-LLVKDONJSA-N 464.138 3.538 50 10 JHGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)S(=O)(=O)CCC(F)(F)CBr 2179954900 SUNISJXUBNKOJR-PIIMJCKOSA-N 465.404 3.864 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC12CCC(Br)CC2 2202280890 XQQUCTHBIUTAMA-UHFFFAOYSA-N 497.455 3.811 50 10 JHGE O=C(N[C@@H]1CC[C@H](C(F)(F)F)N(CCCCCI)C1)C(F)(F)F 2214705163 OBKUFUYFXNRGCK-NXEZZACHSA-N 460.200 3.666 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@@H]2COC[C@]2(CBr)C1 2234578431 FXHUBZBUFBAWEW-OTYXRUKQSA-N 467.983 3.695 50 10 JHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCO[C@@]2(CCl)C1 2239902909 JJZMDZUBXYDWLZ-XPTSAGLGSA-N 470.532 3.524 50 10 JHGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NCCCCI)C1(C)C 2243586074 KWLJVXMVYASPQO-ZAMGYDSWSA-N 458.406 3.993 50 10 JHGE O=C(NC[C@H]1CC[C@@H](CCl)CO1)c1ccc(I)c(Br)c1 2279401438 LKKPEGDULYLUJY-GXSJLCMTSA-N 472.548 3.818 50 10 JHGE CC(C)(CI)CN1CCC2(CC1)C[C@H](NC(=O)OC(C)(C)C)CO2 2306810201 QYSWPJVKRUGIQQ-AWEZNQCLSA-N 452.377 3.596 50 10 JHGE COc1ccc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313545853 KFZAEMMXOATYPB-UHFFFAOYSA-N 473.314 3.556 50 10 JHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(CBr)c(F)c1 2319259838 AMNBCZAXVFPOKJ-UHFFFAOYSA-N 469.332 3.539 50 10 JHGE COc1cc2c(C=NNC(=O)CSc3nc4ccccc4s3)c(C(=O)O)n(C)c2cc1OC 2321684699 PPJAPUYBXAACMC-UHFFFAOYSA-N 484.559 3.746 50 10 JHGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc2c(c1)CC(=O)N2 2364065156 ZSTIYRMRYHBFJI-JTQLQIEISA-N 463.955 3.924 50 10 JHGE CO[C@H]1[C@@H](CCl)N(Cc2ccc(I)c(Br)c2)C[C@H]1OC 2377317597 QAKFEXRYKCVOEF-MCIONIFRSA-N 474.564 3.507 50 10 JHGE Cc1cc(OCC(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)ccc1Br 12488114 RWFBDCRQMSNSKF-UHFFFAOYSA-N 482.762 3.664 50 10 JHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)c(Br)c1 13976996 UIPYCOXJPACCRJ-UHFFFAOYSA-N 486.391 3.554 50 10 JHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)cc1 13979097 WYVVGWVAIMIYJL-UHFFFAOYSA-N 462.575 3.703 50 10 JHGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 38650144 KSWFHSJAPUIWJZ-VWLOTQADSA-N 458.470 3.906 50 10 JHGE C=CCn1nc(C)c(/C=N/NC(=O)CSc2nnc(CNc3ccc(Cl)cc3)n2CC=C)c1C 59829810 JPGOFFDRCPJFLC-LGJNPRDNSA-N 499.044 3.971 50 10 JHGE CCOC(=O)c1sc2ncnc(NNC(=O)/C=C/c3ccc(OCC)c(OC)c3)c2c1C 96470081 MZXLJZBGCLGHJA-CSKARUKUSA-N 456.524 3.740 50 10 JHGE CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc(/C(C)=C\C#N)c(C)c2C(=O)OC)n1 103005381 FPZKZEVHTGLXGP-POHAHGRESA-N 482.971 3.649 50 10 JHGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1 206829117 AGYSDORFJMXWOL-XYMPBJBSSA-N 455.580 3.713 50 10 JHGE COC[C@H](CCBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 228305292 CCXYQSVJWMXTMA-QMMMGPOBSA-N 470.010 3.834 50 10 JHGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC)c(CSc2nnc(C)s2)c1 254793843 XZIBDFDBQHTUSK-UHFFFAOYSA-N 485.591 3.635 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1CCN2C[C@@H](Br)C[C@@H]2C1 405250387 COZNUHKULGCWKR-WDEREUQCSA-N 466.999 3.505 50 10 JHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(CCBr)cc1 703967199 NUEKTWHFFYKFBV-UHFFFAOYSA-N 479.396 3.688 50 10 JHGE C#CCCCC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 1645281335 QFGWHNGVQUGOEL-UHFFFAOYSA-N 455.580 3.658 50 10 JHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772746470 VNJBEGYKOLGMEA-UHFFFAOYSA-N 475.524 3.555 50 10 JHGE O=C(NC[C@@H]1C[C@@H]1Br)c1ccc(Br)cc1I 1995285697 JUYSEYCCTPJIFA-RCOVLWMOSA-N 458.919 3.567 50 10 JHGE CN1CC[C@@H]([C@H](Br)c2cc(Br)cc(Br)c2)S1(=O)=O 2029045722 FCESFYVHVCIQSF-WDEREUQCSA-N 462.001 3.682 50 10 JHGE Cc1ccc(C(=O)CBr)c(I)c1I 2060165379 VFWMQHMSEDNIOT-UHFFFAOYSA-N 464.866 3.782 50 10 JHGE CC[C@H](C)[C@@H](CI)NC(=O)c1cc(I)ccc1O 2081236026 LKIKJFDPTFLUIK-GZMMTYOYSA-N 473.092 3.576 50 10 JHGE CC[C@H](C)[C@H](CI)NC(=O)c1cc(I)ccc1O 2081236030 LKIKJFDPTFLUIK-KWQFWETISA-N 473.092 3.576 50 10 JHGE C[C@@](CBr)(NC(=O)c1cc(I)sn1)c1ccccc1 2120027055 SOVWQQWFSISACD-ZDUSSCGKSA-N 451.127 3.788 50 10 JHGE O=S(=O)(c1ccc(CBr)cc1Cl)N1CC2(CN(Cc3ccccc3)C2)C1 2123210832 PSHVWEIQDLEHRF-UHFFFAOYSA-N 455.805 3.741 50 10 JHGE Cc1sc(CBr)cc1S(=O)(=O)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2132361602 BGXRCBWCRCTGAU-SJLPKXTDSA-N 455.443 3.846 50 10 JHGE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC(Br)CC2)C(F)(F)CC1 2162592819 YEYVXDCUCIESFF-CYBMUJFWSA-N 454.356 3.838 50 10 JHGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)N1CCC(CBr)CC1 2179823244 HHRAVJXWOHFJFP-RTBURBONSA-N 459.450 3.654 50 10 JHGE O=C(c1cc(Br)ccc1Br)N1C[C@H](CBr)OCC12CC2 2183973431 ARQCQLYFOUOPRW-JTQLQIEISA-N 467.983 3.980 50 10 JHGE CN(CC[C@@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 2305103715 RLXFNTNJTMIETO-HXUWFJFHSA-N 481.681 3.582 50 10 JHGE C[C@@H](CBr)CCCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316816435 ADXCHJHSANGNTF-MRXNPFEDSA-N 473.433 3.574 50 10 JHGE CC[C@H](C)[C@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827844 VOPZCUVPIRBFMR-MAUKXSAKSA-N 473.433 3.572 50 10 JHGE COc1ccc2[nH]cc(C=NNC(=O)COc3ccc(C(=O)NCc4ccccc4)cc3)c2c1 2321698148 QOMAWSITEJKUNV-UHFFFAOYSA-N 456.502 3.636 50 10 JHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H]2C[C@@H](Br)[C@H]1C2 2330792259 WDBATUKIPZSLKU-AVPPRXQKSA-N 474.012 3.758 50 10 JHGE C[C@H]1CC[C@@H](CBr)N(C(=O)c2c(Br)c(Br)nn2C)C1 2338684920 TZSNCBWQEBPOBD-YUMQZZPRSA-N 457.992 3.581 50 10 JHGE CN1CCC[C@@H]([C@@H](Br)c2ccc(Cl)cc2I)S1(=O)=O 2340027996 VHTDAOXVHZFRSN-RYUDHWBXSA-N 478.577 3.805 50 10 JHGE Clc1ccc(CN2C[C@@H]3OC[C@H](CBr)[C@@H]3C2)c(I)c1 2341013143 SIUJICRCDHXUTK-JKOKRWQUSA-N 456.549 3.786 50 10 JHGE CC(C)[C@H]1C[C@](C(=O)O)(N(C)C[C@H]2C[C@@H](Br)C2)CN1C(=O)OCc1ccccc1 2350456157 NLKULGJOVPGTRD-MOXWOTFGSA-N 467.404 3.982 50 10 JHGE CC(C)(C)[C@H]1C[C@H](CBr)CN(Cc2ncc(I)cn2)C1 2381292812 GCPPQJMKARTHED-NEPJUHHUSA-N 452.178 3.960 50 10 JHGE