smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)c(Br)c1 10672038 SVXIZLUYUGKLJH-AWEZNQCLSA-N 508.438 3.903 50 10 KHGE CCOC(=O)COc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 150415307 NYCWAOKWWVBYBW-SSVUZXLWSA-N 636.224 3.802 50 10 KHGE CCOc1cc(C=NNC(=O)c2c(CN3CCCC3)nnn2-c2nonc2N)ccc1OCc1cccc2ccccc12 254818914 FRAFRMUVBVPMFB-UHFFFAOYSA-N 581.637 3.723 50 10 KHGE CNc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084131863 SQPFQLKKWRNLTD-MRXNPFEDSA-N 563.177 3.901 50 10 KHGE O=C(Cc1cccc2ccccc12)NNC(=O)C1CCC(C(=O)NNC(=O)Cc2cccc3ccccc23)CC1 100103719 OAXUMPRBLVQWDX-UHFFFAOYSA-N 536.632 3.879 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 100113038 JUHRLKZDZSJTLO-UHFFFAOYSA-N 615.344 3.877 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 101341687 WLIHVXQJFSPFNC-DEDYPNTBSA-N 513.344 3.881 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OC)c3)nc3ccccc3c2=O)cc1 254516712 ZVGYMENHUGXAGX-UHFFFAOYSA-N 504.568 3.654 50 10 KHGE CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@H](C)C[C@@H]2[C@H]3[C@H](Cl)CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 256072944 DJHCCTTVDRAMEH-WOGQQPDXSA-N 521.050 3.943 50 10 KHGE in-vitro CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)C1 2296849521 HHZDLTCKSHTCGK-HXUWFJFHSA-N 529.597 3.727 50 10 KHGE BrC[C@@H]1CO[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]12 2349859104 FUIQWYXBCOEZAR-UHIISALHSA-N 501.000 3.895 50 10 KHGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)cc1Br 13977070 ZDLRSKDQGRKVRH-UHFFFAOYSA-N 505.438 3.801 50 10 KHGE COc1ccccc1O[C@H](C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14006714 OLBLTUZIHKVYPD-GFCCVEGCSA-N 516.186 3.522 50 10 KHGE CCOC(=O)COc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OCC 100219304 MPJHNIXUWAIKAR-ILRHRSLTSA-N 554.381 3.596 50 10 KHGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1084388668 YPCRGAWUKQQKBF-JRFDGAOCSA-N 563.057 3.935 50 10 KHGE CN(C)CCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866608023 BEZRCNUEGUSLNE-SANMLTNESA-N 573.650 3.926 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1 1867287577 KMGFFTMVBUKLMR-FQEVSTJZSA-N 522.524 3.866 50 10 KHGE O=S(=O)(CI)Nc1cc(Br)c(I)c(Br)c1 1910137409 ZMZOFEDGLCYAOP-UHFFFAOYSA-N 580.805 3.950 50 10 KHGE C=C(C#N)c1c(I)cc(I)c(N)c1I 1952385951 XJBAUPOSFXKSSA-UHFFFAOYSA-N 521.865 3.619 50 10 KHGE O=C(NNC(=O)c1ccncc1)C(=Cc1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1 2041031533 HTMHCJSICQAXIJ-UHFFFAOYSA-N 529.560 3.561 50 10 KHGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314611450 UINMYQMKUVELHW-UHFFFAOYSA-N 529.622 3.790 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1OC 14651282 QVKBNXBOZWALOZ-UHFFFAOYSA-N 524.437 3.841 50 10 KHGE O=C(CSc1nc2ccccc2[nH]1)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 59181376 YICFCSDMCWHYCI-UHFFFAOYSA-N 509.183 3.653 50 10 KHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)CCCCC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 100044258 QRTDCMVKWMVAAC-UHFFFAOYSA-N 621.522 3.603 50 10 KHGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCC(=O)OC 103878531 UJLOMSDGQPGVAX-FOKLQQMPSA-N 522.295 3.752 50 10 KHGE CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 118919450 DJHCCTTVDRAMEH-AXPKVCQSSA-N 521.050 3.943 50 10 KHGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1cc(Br)ccc1I 1878683579 CPXCVEJUAIRAAH-QPUJVOFHSA-N 502.972 3.584 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@H](CBr)OCC12CC2 2207262675 RXYFJSNCDLYXEA-JTQLQIEISA-N 514.983 3.822 50 10 KHGE O=C(NN=Cc1ccc(OC(=O)c2cccnc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 3375353 IISMOROUSKLDRA-UHFFFAOYSA-N 506.565 3.927 50 10 KHGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)c1C 33770201 MOIUUPMRVKRPLJ-YVLHZVERSA-N 501.561 3.547 50 10 KHGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079204 BJQNHXJGKVINFQ-UHFFFAOYSA-N 522.808 3.735 50 10 KHGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(-c2ccc(N/C=C3\C(=O)N(C)C(=O)C(C#N)=C3C)cc2)cc1 101459146 GWAHJBMGJHUZRX-YXHOTNNGSA-N 532.560 3.623 50 10 KHGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc(C(=O)OC)c1 101464246 MYEGVHLQBTYPAL-UHFFFAOYSA-N 535.300 3.765 50 10 KHGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(/C)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)Cc2cccnc2)cc1 159380962 FBGVTGJTKQNZCI-CKWSZQMZSA-N 677.805 3.656 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cccc(OC)c1O 252631987 VNTBEYGZTTUMAE-UHFFFAOYSA-N 578.436 3.637 50 10 KHGE COc1cc(OC)c(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(OC)c1 254499751 OAWARNKHYXLGMI-UHFFFAOYSA-N 504.568 3.654 50 10 KHGE COc1cc(C(=O)NCCCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC 1772720592 SOSBJYOADPXSMA-UHFFFAOYSA-N 609.632 3.618 50 10 KHGE CC(C)(NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866834324 VUQXOIWRUCKDJB-MRXNPFEDSA-N 529.669 3.691 50 10 KHGE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)CC1 2296545296 DWYWWQNIGYUORO-UHFFFAOYSA-N 529.597 3.727 50 10 KHGE COc1cc(Br)c(OCC(=O)NN=Cc2ccc(I)o2)c(Br)c1 2297710300 OJIGDWYFHYKCCO-UHFFFAOYSA-N 557.964 3.947 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355690228 RTNXDZZAATWQLT-XTWCZFFVSA-N 514.983 3.536 50 10 KHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668279 XKUXGZLMFOWXCL-UHFFFAOYSA-N 507.381 3.529 50 10 KHGE COc1cc(OC)cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1 103920682 CXLROSBXCYXVME-XQNSMLJCSA-N 501.499 3.572 50 10 KHGE O=C(NCCCN1CCOCC1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237763 NAHHKXBQXYRAAV-FQEVSTJZSA-N 503.974 3.919 50 10 KHGE O=C(c1cc(Br)ccc1I)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146696082 VXONVFQMTCXLRX-XDTLVQLUSA-N 514.983 3.821 50 10 KHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1 14029208 SEXQKDWNTSTZSD-UHFFFAOYSA-N 501.605 3.537 50 10 KHGE CC(=NNC(=O)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)NN=C(C)c3ccncc3)cc2)cc1)c1ccncc1 254710099 HRDOEMHGWCTKMW-ACHIHNKUSA-N 594.628 3.941 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084162860 OSUOIGNQKVZCPO-UHFFFAOYSA-N 653.714 3.785 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744648 GJEDEFVCUTZAOD-UHFFFAOYSA-N 525.359 3.601 50 10 KHGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2cc(I)ccc2Br)C1 2121336487 GZRZCGQSIVKTPV-QQKBFRNYSA-N 520.927 3.922 50 10 KHGE O=C(CNC(=O)c1cccs1)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2295916638 QAAUWOJNLNBNAM-UHFFFAOYSA-N 502.346 3.603 50 10 KHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 2313890795 ZRHPPKFKLLYGDL-UHFFFAOYSA-N 502.596 3.995 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314618479 OHBDBGOTDAFSOD-DEOSSOPVSA-N 571.659 3.561 50 10 KHGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCCCN5CCOCC5)c(C)c43)coc2c1C 40826580 JORSDYCKHRWQSS-UQRQXUALSA-N 520.630 3.802 50 10 KHGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101405736 INHBNBUORIFGFB-SBGXLDQMSA-N 529.530 3.771 50 10 KHGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)cc(I)c1O 1084367557 CLDLXTJRLFTHGU-HNNXBMFYSA-N 550.134 3.565 50 10 KHGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)c(=O)c1C#N 1084436302 IXJVUMQDFTXRTB-UHFFFAOYSA-N 524.419 3.804 50 10 KHGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1956235164 XRIMEFSZSAIOGW-OPAMFIHVSA-N 511.413 3.626 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC2(CN(C(=O)OC(C)(C)C)C2)C1 2349658322 VUPVOUFNFSKBNA-QFIPXVFZSA-N 505.703 3.727 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 10401653 LFNCSFKLEHZPFF-AATRIKPKSA-N 513.142 3.668 50 10 KHGE CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc(Br)cc1Br 13995324 FHEYNATZRBEKJY-OAHLLOKOSA-N 500.187 3.904 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1ccccc1O 58991767 DXZUBVNVUPRAJP-UVHMKAGCSA-N 508.991 3.839 50 10 KHGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)c1 59148083 ZPUILLAIZYBKOM-MXNGAVTRSA-N 524.577 3.661 50 10 KHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccco3)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 102686909 BFJHQJNNNDNYCT-HKWRFOASSA-N 529.000 3.799 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(OC)c(OC)c2)c2ccc(C)cc2)cc1 254840730 GWIFZEVNHUQVNN-UHFFFAOYSA-N 511.600 3.757 50 10 KHGE CCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)O[C@@H]1[S@@](C)=O 575232160 CIBVDGZXDAXGHD-YTGJUXGPSA-N 623.297 3.877 50 10 KHGE in-vitro C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H](CBr)O1 721505525 BNBKRWIROKMATE-WPRPVWTQSA-N 502.972 3.678 50 10 KHGE COc1ccc(C=NNC(=O)c2nonc2NCCCl)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C 1082754827 KQPUJBUXIFAIET-INIZCTEOSA-N 543.024 3.629 50 10 KHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(=O)c23)cc1 1860770657 QUMSULILCWZXII-UHFFFAOYSA-N 517.394 3.967 50 10 KHGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)c(OC)c1OC 1872759110 DXIDEDUDGKLGKT-ZPHPHTNESA-N 501.586 3.916 50 10 KHGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 1873795063 QBFKQHKTVXKYRM-AUEUWSLNSA-N 500.621 3.801 50 10 KHGE Cc1cnc(-n2c(C)nc(I)c2I)c(CBr)c1 1997318805 AVRVTZASAVIFIO-UHFFFAOYSA-N 517.934 3.988 50 10 KHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 14032429 XCCIPIKWUHWMIT-UHFFFAOYSA-N 514.829 3.996 50 10 KHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645726 NYYSJAYTKISADI-UHFFFAOYSA-N 507.381 3.891 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1I 100143891 DDJBGDOLLJXJJA-UHFFFAOYSA-N 561.401 3.828 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214431823 GQJWSTHFLGOJGC-IWIPYMOSSA-N 585.573 3.628 50 10 KHGE CC1(C)[C@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1CC(=O)NN=Cc1ccco1 1565517280 AARCTNYOLASQTF-QFIPXVFZSA-N 502.616 3.638 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282315744 RYHXFOITMFNSDY-UHFFFAOYSA-N 559.006 3.885 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C12CCC2 2350364404 XFEZCXAILUVUQZ-QFIPXVFZSA-N 505.703 3.869 50 10 KHGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645962 NGFLSKMZDPFNRZ-UHFFFAOYSA-N 524.437 3.597 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 100202590 CKIMCAGFIMDNDE-UHFFFAOYSA-N 536.604 3.730 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 100869678 UUQJUMUJTDXESX-ZCTHSVRISA-N 533.581 3.982 50 10 KHGE COC(=O)c1nn(-c2ccccc2)c(=NCCSSCCN=c2sc(C(=O)OC)nn2-c2ccccc2)s1 1084093639 NZULZBAGLUTKJX-UHFFFAOYSA-N 588.762 3.637 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772743744 HAFCYEUFWXTUDQ-UHFFFAOYSA-N 539.386 3.904 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCCN1CCOCC1 1865686968 GICOEJUPAWDBEZ-RUZDIDTESA-N 522.005 3.772 50 10 KHGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1956234397 RBEYJFRPWZVBRA-KSFYIVLOSA-N 511.413 3.626 50 10 KHGE C[C@@H](Br)CN1CCN(C(=O)c2cc(I)ccc2Br)CC1 2170216294 OVUQHNJMMPFBCR-SNVBAGLBSA-N 516.015 3.595 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065524 UILIAXRPNATYFU-YZSQISJMSA-N 554.357 3.804 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594753 GCDBZNDKVKDPCW-NLRVBDNBSA-N 509.906 3.695 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083998007 UJVFGHUNZKWWJW-UHFFFAOYSA-N 523.611 3.923 50 10 KHGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccc(I)cc1 1084433174 LKPICEFNELWUDW-UHFFFAOYSA-N 563.436 3.780 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCCN1CCOCC1 1865687015 HLEAUXULPRISLY-SANMLTNESA-N 536.032 3.831 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189042284 GFQYUSMPABPPON-DDFAGTSDSA-N 514.983 3.536 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2268646708 LCDFLKJMUWCZPW-RJYGXOMWSA-N 506.433 3.559 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2283967223 ACIPMDQBTXECPV-MQNRADLISA-N 508.330 3.537 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1I 100157785 OJSRBFDVONPEGX-UHFFFAOYSA-N 532.334 3.832 50 10 KHGE COC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 100284171 XSPKVMIIHHCCML-OYPWENPISA-N 528.197 3.727 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101336948 VWIFQIZDTOCFCQ-RGXRWQALSA-N 571.659 3.561 50 10 KHGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1O 254749429 DRSDFZAOVKQQGY-UHFFFAOYSA-N 504.528 3.799 50 10 KHGE CC(C)(CNC(=O)c1cc(I)ccc1Br)OCCBr 311358370 FLRGTZCVZUOFTO-UHFFFAOYSA-N 504.988 3.974 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2cccc(CCl)c2)CC1 2236199588 DDBIXOMEXSOSOM-UHFFFAOYSA-N 518.076 3.904 50 10 KHGE CCOCCOCCOCCO[C@@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2239611376 MSSFWXYJEYMQSR-IBGZPJMESA-N 503.418 3.523 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282409469 KPCLNTLNVAOXBW-UHFFFAOYSA-N 500.467 3.761 50 10 KHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NCCCn1ccnc1 2296547581 FSJLVPDPDGXOEC-UHFFFAOYSA-N 555.664 3.634 50 10 KHGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40649819 NULHWXOFEOSSRA-UHFFFAOYSA-N 507.290 3.744 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 100055599 SYOWSHLYSWHVKQ-UHFFFAOYSA-N 543.212 3.555 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1cccc(Cl)c1 100080672 KTXYHXKGVVUYQX-UHFFFAOYSA-N 521.618 3.580 50 10 KHGE COc1ccccc1C=NNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 254814487 LVFIEXAFVQYYFA-UHFFFAOYSA-N 511.600 3.675 50 10 KHGE O=C(NC[C@@]1(CBr)CCCOC1)c1cc(Br)ccc1I 700913947 IEOQNKVZCNHSIU-AWEZNQCLSA-N 516.999 3.975 50 10 KHGE CCOc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)ccc1O 1084065389 SEPFYWMTVJVEFP-UHFFFAOYSA-N 532.416 3.899 50 10 KHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1084586025 QGPDRTWIAQWTOO-UHFFFAOYSA-N 546.588 3.811 50 10 KHGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1cc(Br)ccc1I 2195494295 MOISHOHDSIJPKF-ONGXEEELSA-N 516.999 3.974 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2269561067 BQQHDYPBNLNDSY-VWLOTQADSA-N 506.795 3.912 50 10 KHGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 101472809 WWJXZGDYPRGMPH-UHFFFAOYSA-N 554.567 3.962 50 10 KHGE COc1c(OC(C)=O)ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1[N+](=O)[O-] 254307632 HDMVWVFGZZAPTP-RPZYTUBOSA-N 545.552 3.516 50 10 KHGE CCOc1ccc(C=NNC(=O)c2cc(C(C)(C)C)n[nH]2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254735306 ZDCBRPLVRIMSFF-RTWAWAEBSA-N 516.646 3.651 50 10 KHGE Cc1ccc(C)c(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)c1 1858957153 KKUYHERRMQGNGK-UHFFFAOYSA-N 531.518 3.523 50 10 KHGE Cc1nc(I)c(I)n1CCCCI 2241523525 XZDCPMTXAMJZSP-UHFFFAOYSA-N 515.902 3.616 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2350096202 JYGJKRQJJFESDK-BRLLKYFNSA-N 505.703 3.582 50 10 KHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1I 13980511 FKTNDZNLNQAHSB-ZDUSSCGKSA-N 511.385 3.519 50 10 KHGE CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(/C=N/NC(=O)c3ccc(NC(=O)CC)cc3)cc2)cc1 36019064 SSDMWPDUZYJSND-QCOHSWCKSA-N 512.570 3.911 50 10 KHGE CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccc(OC)cc1OC 252620257 MAGYDJMDLKZZAW-UHFFFAOYSA-N 580.452 3.774 50 10 KHGE COc1cc(C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC(=O)c1ccc(C)cc1 254749335 PIPATJZIRZYAJM-UHFFFAOYSA-N 515.551 3.830 50 10 KHGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1OC 1772746715 ZQYDSFNXSRJQAC-UHFFFAOYSA-N 520.542 3.956 50 10 KHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(OCc5ccccc5)cc4)c(=O)c23)C1 1860769753 GVZAWVWHPOJYNM-KRWDZBQOSA-N 502.596 3.623 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc([N+](=O)[O-])ccc1I 2181740875 GOQULQHWONDDDU-UHFFFAOYSA-N 527.406 3.835 50 10 KHGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297321304 SZSJAOQBJAUSSS-UHFFFAOYSA-N 554.313 3.892 50 10 KHGE CCc1cccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 30768402 KYESQYLNSGFARF-UHFFFAOYSA-N 500.187 3.688 50 10 KHGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 40935710 SQRJDHWDVCZYGV-NBVRZTHBSA-N 505.483 3.827 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113159 WMEOJCRWYHDWKT-WPWMEQJKSA-N 544.793 3.944 50 10 KHGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 1083952851 ZVWMKYHIHSKPHF-UHFFFAOYSA-N 559.044 3.591 50 10 KHGE N#Cc1ccccc1OCC(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1083983354 MOGJECGFSBUCQQ-UHFFFAOYSA-N 507.319 3.906 50 10 KHGE COc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1O 1084445538 ULAUZQJCOWQQHC-UHFFFAOYSA-N 532.416 3.893 50 10 KHGE C/C(=C\C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1867073616 AZBIXTVFCOPVRH-JGXQXMPLSA-N 564.689 3.985 50 10 KHGE COc1cc(Br)cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 2293116026 HCOBZWFIXYUAGQ-UHFFFAOYSA-N 538.354 3.813 50 10 KHGE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2350357165 QXUGZEGAXNPESF-OPAMFIHVSA-N 507.719 3.973 50 10 KHGE O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C(=O)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 252596336 CIKHZOWSIMHHCC-UHFFFAOYSA-N 530.284 3.733 50 10 KHGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccccc3F)[C@H]2C)c(OC)c2c1OCO2 254512571 ADUZNBAZZCQJMS-HWPZZCPQSA-N 508.300 3.548 50 10 KHGE COc1ccc(C=NOCC(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 254865273 DGIGSAFRUYZSLU-PBBNMVCDSA-N 517.630 3.771 50 10 KHGE COc1cccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1O 263628893 FGTHAVKFFUDEHH-UHFFFAOYSA-N 549.609 3.917 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Br)c2ccccc2)cc1 1084267604 RNVOVWAJMZKEMR-UHFFFAOYSA-N 502.390 3.803 50 10 KHGE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]1C[C@@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1 1848438014 IJUAKMXOOVCLEV-PATCZXNJSA-N 753.796 3.751 50 10 KHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709897 JNVFVXOMYMRYGE-QHCPKHFHSA-N 524.493 3.840 50 10 KHGE O[C@H](CBr)Cc1cc(I)cc(I)c1I 1952520851 RAIQNIZBEJWBOM-ZETCQYMHSA-N 592.778 3.799 50 10 KHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041890 AHOPBVGUENUABL-UHFFFAOYSA-N 504.612 3.996 50 10 KHGE COc1cc(OC)c(/C=N/NC(=O)c2ccc(OC)c(I)c2)cc1Br 100041296 LPZJWYQIVSZWID-AWQFTUOYSA-N 519.133 3.843 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(Br)cc1 100445971 OHUDPIROOGRXEZ-UHFFFAOYSA-N 506.976 3.814 50 10 KHGE C#CCOc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 100452978 YZOZJTJCLQNADH-QRAWFLTRSA-N 588.183 3.872 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc(OC)c1OC 101368572 QEQFRMQGGSKOIX-RUZDIDTESA-N 533.493 3.823 50 10 KHGE COc1ccc(/C=C/C(=O)NCC(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C/c2ccco2)cc1 252642550 ZNMVGAGIAADOLF-LVYHNCBBSA-N 552.381 3.949 50 10 KHGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1 254290589 CJJCMYQBJYHLIQ-UHFFFAOYSA-N 563.607 3.991 50 10 KHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc(C)c3)cc2OCC)cc1 254835664 NANYJJGNJLBSLP-UHFFFAOYSA-N 503.555 3.892 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(F)cc3)cc2OC)cc1 254836628 RNEMIBMRBOBOMM-UHFFFAOYSA-N 507.518 3.722 50 10 KHGE O=C(COc1ccccc1I)NN=Cc1cc(Br)c(N2CCCC2)o1 1084603596 XMEYCYMIQDGVBO-UHFFFAOYSA-N 518.149 3.776 50 10 KHGE COc1cc(C=CC(=O)NNC(=O)COc2ccccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 2042442818 AFESZFJFWIFWAS-UHFFFAOYSA-N 530.986 3.664 50 10 KHGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@@H](I)C2)cc1Br 2084165600 HWRISLNDCITIGL-MRVPVSSYSA-N 509.001 3.718 50 10 KHGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1ccc(Br)cc1I 2142286808 IGJHIJSOBKGUSA-KCJUWKMLSA-N 502.972 3.584 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2COC[C@]2(CBr)C1 2234584111 XITLTJSLCFJVNT-XPTSAGLGSA-N 514.983 3.537 50 10 KHGE Cc1csc(CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2285030798 LSNBBIDAXGWQNF-XMMPIXPASA-N 520.460 3.648 50 10 KHGE CS(=O)(=O)O[C@@H]1[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](n2ccc(O)nc2=O)[C@@H]1Br 261493358 UVZKDSPZQUZHDS-ZJSPYRCASA-N 613.486 3.921 50 10 KHGE CC(=O)N[C@H]1[C@H](O[C@H](C)C(=O)NNC(=O)c2cc3ccccc3cc2O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1OCc1ccccc1 504646143 CMHHRFSWQRSAFV-CESJYIGKSA-N 655.704 3.641 50 10 KHGE biogenic O=C(c1ccc(I)c(Br)c1)N1CCOC[C@@H]1CCBr 721619511 HBVQOIYIIYUWJL-JTQLQIEISA-N 502.972 3.680 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744967 OZMVUIXWIFKRFX-UHFFFAOYSA-N 509.360 3.896 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746637 YTURKFVAKAZMBN-UHFFFAOYSA-N 509.906 3.695 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748657 SEIFRZWFNJOGMT-UHFFFAOYSA-N 509.906 3.695 50 10 KHGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314610005 BRZZYWHAXBEWBC-UHFFFAOYSA-N 585.686 3.808 50 10 KHGE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349642221 JGNYGRBRDYHNMF-ZHRRBRCNSA-N 507.719 3.971 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2350361853 UXXQDTRUXYKFGZ-JEZSTIGHSA-N 505.703 3.629 50 10 KHGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3ccccc3)cc2)cc(OC)c1OC 34988690 LPUVYSXFHMPCQQ-UXHLAJHPSA-N 519.554 3.592 50 10 KHGE CCOC(=O)COc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 100219147 VCOBYJDWOMUELU-ANRZFROFSA-N 584.407 3.604 50 10 KHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccccc3)c(N3CCN(c4ccccc4)CC3)nc12 102863334 SWNGHXZXCMIGNW-CLCOLTQESA-N 504.594 3.553 50 10 KHGE C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21)[C]1OC=CS1 607739033 JHSHVHKAQAEJQZ-HJPNYLADSA-N 519.607 3.550 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)Cc2ccccc2)cc1 1084572274 KZKRMXHRKPXOOQ-UHFFFAOYSA-N 592.718 3.864 50 10 KHGE O=S(=O)(Nc1cc(Br)ccc1I)N1CCC(Br)CC1 2105892413 BVULNILHDAGFEZ-UHFFFAOYSA-N 524.016 3.570 50 10 KHGE O=C(N[C@H]1CCCN(CCBr)C1)c1ccc(Br)cc1I 2207274253 ZXAFXHVNVOKPLB-NSHDSACASA-N 516.015 3.643 50 10 KHGE Cc1c(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ccc(B(O)O)c1Cl 2268604782 CEYNEHFCBRQQPW-VWLOTQADSA-N 506.795 3.830 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(Br)o1 100080360 HOEGRLGVMHQXFK-UHFFFAOYSA-N 570.057 3.590 50 10 KHGE O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cc(I)c(O)c(I)c1 100452964 UHFQGEFZJRYXEG-VYXQJKENSA-N 550.134 3.565 50 10 KHGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 101334112 VEGDFZUFHDZTCV-BKKKIYDCSA-N 585.686 3.951 50 10 KHGE O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)NNc1nc2ccccc2c2nc(-c3ccccc3)nn12 101475507 VPGDAOJMOJPYAP-UHFFFAOYSA-N 538.587 3.656 50 10 KHGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 214425979 QZVAFVOMYMMWFS-IWIPYMOSSA-N 525.521 3.993 50 10 KHGE COc1c2c(c(Br)c([C@H]3ON=C(C(=O)NN=Cc4ccccc4F)[C@H]3C)c1OC)OCO2 254751033 HHHLHNKIVCNYOV-HWPZZCPQSA-N 508.300 3.548 50 10 KHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720013 CHTHDNKKWPXERY-UHFFFAOYSA-N 563.607 3.991 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1OC 1772720408 NNVCPXRKKMLOLI-UHFFFAOYSA-N 524.526 3.721 50 10 KHGE CCOc1ccc(N2C(=O)C(=CNNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)c3ccccc3C2=O)cc1 2042444869 FXVXAHATOITNHK-UHFFFAOYSA-N 574.659 3.722 50 10 KHGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl 2314475762 BUQJMTYRUZODJU-HXUWFJFHSA-N 511.003 3.802 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1ccc(Cl)cc1 100080688 WFRWQIUQUNQEOC-UHFFFAOYSA-N 521.618 3.580 50 10 KHGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080814 YELCCCMYARRDKX-UHFFFAOYSA-N 567.259 3.845 50 10 KHGE CCOC(SSC(OCC)=C(C#N)C(=O)NCc1ccco1)=C(C#N)C(=O)NCc1ccco1 2297534027 HJHMFVQDCVLQHX-UHFFFAOYSA-N 502.574 3.730 50 10 KHGE COc1cc(C=NNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1O 2297709316 JXAZPVQRTHQWHL-QFIPXVFZSA-N 531.525 3.778 50 10 KHGE CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14024499 ORPWOFMRQHXLFQ-MRXNPFEDSA-N 500.187 3.904 50 10 KHGE C#CCOc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 58891598 FBPFJHUHYGMGPN-YPFLROGLSA-N 506.340 3.666 50 10 KHGE CCc1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(CC)cc2Br)c(Br)c1 150388873 OORIEVVWPGJFDL-UHFFFAOYSA-N 656.372 3.649 50 10 KHGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c(OC)c1OC 254312688 PDBMSYJAFQIRGY-UHFFFAOYSA-N 518.595 3.962 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(O)cc3O)n2-c2ccccc2)cc(OC)c1OC 254520501 PBOVUWIOTUSLMA-UHFFFAOYSA-N 535.582 3.614 50 10 KHGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1OC 254703727 LSNYTNWVFVAAGO-UHFFFAOYSA-N 511.534 3.956 50 10 KHGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(C(=O)O)cc1 1084092067 ZYNWZXMJZZQVQO-RQZCQDPDSA-N 520.323 3.962 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(C(=O)O)cc1 1084256014 HKZARHVQINJINI-UHFFFAOYSA-N 544.427 3.531 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)c(B(O)O)cc1C 2283986073 OBPNGAHTBCFJER-CRYYWNKWSA-N 500.404 3.875 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)c1 2297456027 MZUOAPVWWDYIMT-RUZDIDTESA-N 533.654 3.772 50 10 KHGE O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1 150344457 LEYZMYATCOAKME-ZNUUIMKISA-N 646.752 3.535 50 10 KHGE COc1ccccc1NC(=O)C(=O)NN=Cc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 252605306 GHTAGFVURGUZQT-UHFFFAOYSA-N 514.460 3.820 50 10 KHGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1084087704 KFKAPDKHMSSHIS-UHFFFAOYSA-N 540.617 3.789 50 10 KHGE CN1CCC[C@@H]([C@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2089531317 LRPSLNDIDRTEHJ-NWDGAFQWSA-N 523.028 3.914 50 10 KHGE CN1CCC[C@H]([C@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2089531319 LRPSLNDIDRTEHJ-VXGBXAGGSA-N 523.028 3.914 50 10 KHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2Br)cc1 2314790149 KTDZUPHHAIXFTP-UHFFFAOYSA-N 538.192 3.866 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2cccc3ccccc23)c(Br)c1 13979166 OQAOUIZNJORJPU-UHFFFAOYSA-N 516.417 3.644 50 10 KHGE O=C(CCC(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1)NCc1ccccc1 14665557 PTHOXOJBEIHWQX-UHFFFAOYSA-N 524.415 3.928 50 10 KHGE C=CCn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1cccnc1 104768668 WIPKZYQYDRCGME-NUGSKGIGSA-N 552.252 3.999 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCC(=O)O)c(OCC)c2)cc1 1084251813 LUWQMRQGMRWCND-LJQANCHMSA-N 570.380 3.516 50 10 KHGE N#CCC(=O)NN=Cc1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 1084631289 VHMGCMRTNYDRTE-UHFFFAOYSA-N 589.127 3.537 50 10 KHGE CC(C)N(CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)S(=O)(=O)c1ccc(F)cc1 1867233601 UQTMSJUMEQUEGR-RUZDIDTESA-N 570.668 3.870 50 10 KHGE COC[C@@](C)(CBr)N(C)C(=O)c1ccc(Br)cc1I 2142288887 NLKXKCXZJKZLGT-CYBMUJFWSA-N 504.988 3.926 50 10 KHGE COc1ccccc1C=CC(=O)NCC(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2296382148 PHUWEJVBUIYBJA-UHFFFAOYSA-N 502.958 3.545 50 10 KHGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(N3CCN(c4ccccc4)CC3)nc12 2296546194 SRTPFMMBGSEJBS-UHFFFAOYSA-N 511.607 3.668 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc4ccccc4n3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642626 XFMJRLJCUHDBBO-AEFCDDNMSA-N 573.690 3.663 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1I 100075435 OGLXVKDTYZJZJJ-UHFFFAOYSA-N 531.375 3.916 50 10 KHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C(/c1ccccc1)c1cccs1 253560732 BEIHMDYZXZFRKC-OLFWJLLRSA-N 514.640 3.980 50 10 KHGE O=C(COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)NC[C@@H]1CCCO1 725448704 ZZPZTUHIAAFHOG-MHZLTWQESA-N 657.587 3.507 50 10 KHGE CCOc1cc(C=NNC(=O)COc2ccc(OC)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720466 OZOBSRSBWWJWRU-UHFFFAOYSA-N 508.527 3.859 50 10 KHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746479 VXFHYWOXYIGKQL-UHFFFAOYSA-N 501.543 3.929 50 10 KHGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NNC(=O)c2cc(OC)cc(OC)c2)cc1 2313682979 OVGLDHMHNZVCOZ-UHFFFAOYSA-N 531.525 3.580 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039692 UPMMGWBGHQYBEW-UHFFFAOYSA-N 514.003 3.821 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1ccc(Br)cc1 58989701 PWVSSOXEMHOLKL-GZIVZEMBSA-N 500.209 3.971 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 100077431 DPYXZSOTLBIRTF-UHFFFAOYSA-N 582.230 3.988 50 10 KHGE COc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100087478 HVLGMNRPCQTOSD-UHFFFAOYSA-N 597.285 3.853 50 10 KHGE O=C(CCCCC(=O)NN=Cc1cc2c(cc1Br)OCO2)NN=Cc1cc2c(cc1Br)OCO2 254617164 KUOAELBPMZVUBG-UHFFFAOYSA-N 596.232 3.830 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745450 ZXNRLMOXXSKAMJ-UHFFFAOYSA-N 554.357 3.804 50 10 KHGE COc1cc(OC)c([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 27113029 XXJUEPVUAWEVSW-GJZUVCINSA-N 525.565 3.775 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 100080211 AKYZAISBWKZPLZ-UHFFFAOYSA-N 533.448 3.926 50 10 KHGE COC(=O)[C@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 106404044 KXTNIKNREDJJSO-KNOCVWDGSA-N 583.387 3.956 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 150455345 YTOVXSCSWMLLHN-LJAKKAIASA-N 697.795 3.715 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(Br)cc3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530901 BBIBEWFLADSSMB-RJFDHKQKSA-N 601.538 3.878 50 10 KHGE biogenic CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 254546508 VHRYNZIUMGUKNQ-JAIYUDJRSA-N 501.539 3.593 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cccnc3)n2-c2ccccc2)cc(OC)c1OC 254749966 VJDGWXPJZPCCKQ-UHFFFAOYSA-N 504.572 3.598 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747957 WJTDDONLZXRZIC-UHFFFAOYSA-N 568.384 3.733 50 10 KHGE CCO[Si](CCCNC(=O)CCOCCOCCOCCNC(=O)O[C@@H]1CCC=CCCC1)(OCC)OCC 1857791906 ZXQAFZQBZKLJGI-RUZDIDTESA-N 576.804 3.596 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 1866598331 GMIUEXLTJJRXMY-JOCHJYFZSA-N 526.684 3.778 50 10 KHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2I)C[C@@H]1Br 2142279089 LSYFCKHLHUOPGU-UBHAPETDSA-N 502.972 3.724 50 10 KHGE Cc1ccc(OC(=O)CCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100055300 IBILWWWOUAYHFP-UHFFFAOYSA-N 528.197 3.740 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619458 DHDWJRXVOKPNIR-OGLMXYFKSA-N 545.379 3.911 50 10 KHGE O=C(NC[C@@]1(CBr)CCCOC1)c1ccc(I)c(Br)c1 721624092 ZHHCFDBQILYVPJ-AWEZNQCLSA-N 516.999 3.975 50 10 KHGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 1083940677 SYEWDFWRWKTQBZ-UHFFFAOYSA-N 532.416 3.812 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747396 PKPUAKFSLJPMNN-UHFFFAOYSA-N 523.933 3.624 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915175566 APKKCSPRARNRQJ-NRFANRHFSA-N 505.434 3.678 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(Br)cnc1Cl 2125292289 GIYDTAAZLUOMOC-UHFFFAOYSA-N 506.897 3.682 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 2377094378 CHCRMELOICKHTL-PXAQALGRSA-N 519.730 3.971 50 10 KHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 12570099 QMPLONGKUJCQOC-CQSZACIVSA-N 511.431 3.818 50 10 KHGE CN(C)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1 58988535 DUIXQSFFWZLXGR-ZVHZXABRSA-N 502.442 3.510 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 100195860 SHJAZEQUOHCMPA-UHFFFAOYSA-N 521.220 3.869 50 10 KHGE O=C(Oc1ccc2ccc(OC(=O)c3ccc4c(c3)C(=O)OC4=O)cc2c1)c1ccc2c(c1)C(=O)OC2=O 105657129 BKXNFKPAQSMLLT-UHFFFAOYSA-N 508.394 3.899 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 1866863550 XLJUEQSZMSXUPW-NTKDMRAZSA-N 500.580 3.684 50 10 KHGE COc1ccc(/C=N\NC(=O)c2cc(O)c(O)c(O)c2)cc1COc1ccc(C(=O)OCC(C)C)cc1 33090804 ZRNDMDNQAOESII-QDTIIGTASA-N 508.527 3.968 50 10 KHGE biogenic Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCCCN5CCOCC5)c(C)c43)coc2c1 40826827 YVWRTYHOKSGDIT-DFKUXCBWSA-N 520.630 3.802 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCOC)c(Br)c1 100203387 QUQFJDRJHBASAX-UHFFFAOYSA-N 589.306 3.514 50 10 KHGE COc1cc(C=NNC(=O)COc2ccccc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 252597963 CWRARZKNWKKCED-UHFFFAOYSA-N 508.527 3.778 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccccc3Cl)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530938 JJHDYZGLZGFCAG-HWZDGUNBSA-N 557.087 3.769 50 10 KHGE biogenic O=C(Cc1ccc(Cl)cc1)NN=Cc1cc(I)c(O)c(I)c1 1084232552 TUKQXXKIXHYZDZ-UHFFFAOYSA-N 540.526 3.948 50 10 KHGE CS(=O)(=O)c1ccccc1C(=O)N[C@@H]1Cc2ccccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1616014348 NPJRNPAYTHCJNV-SPYQAYQJSA-N 546.527 3.869 50 10 KHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2ccc(I)c(Br)c2)C1 1899842573 RYHWSMJOEAWVDC-SWZMTVOYSA-N 502.972 3.726 50 10 KHGE Cc1c(-n2cnc(I)c2I)ccnc1CBr 1994770088 RBLUKBNLBRGREW-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1I 100078851 YCTWORSAJOVKAQ-UHFFFAOYSA-N 580.448 3.768 50 10 KHGE O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NNC(=O)c1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 164829320 SSTWRASEYKZYEH-UHFFFAOYSA-N 621.617 3.540 50 10 KHGE C[C@H]1[C@H](OC(=O)CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 253624543 UZEOVNLCUPRZCB-MGCZTMDWSA-N 586.682 3.591 50 10 KHGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 1084549451 VBPLHEBFNDOIJH-HSZRJFAPSA-N 571.659 3.683 50 10 KHGE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2349650240 OHFGGNCVJLXWDY-WCJKSRRJSA-N 507.719 3.971 50 10 KHGE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2350357166 QXUGZEGAXNPESF-ZHRRBRCNSA-N 507.719 3.973 50 10 KHGE O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccc([N+](=O)[O-])cc1Cl 100518184 SZUBVWVOPUVACD-NGYBGAFCSA-N 571.496 3.927 50 10 KHGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 1084601293 SLHKIEVFSXRDTE-UHFFFAOYSA-N 516.019 3.741 50 10 KHGE Cc1nc(I)c(NC(=O)[C@@H](Cl)c2ccccc2)c(I)n1 2178366752 AMFYSXDDUAAIIO-VIFPVBQESA-N 513.504 3.913 50 10 KHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc2cc(Br)ccc2oc1=O 2314792821 GEQRWHQLLQEGFW-UHFFFAOYSA-N 539.338 3.549 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2349662672 MZRYIVKIQMVMPT-QRQCRPRQSA-N 507.719 3.876 50 10 KHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)c1 100174112 RWMRGIAOVUDGDC-UHFFFAOYSA-N 545.253 3.715 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 100243491 XGZUAXUHBRLEMW-UHFFFAOYSA-N 535.622 3.589 50 10 KHGE O=C(CCC(=O)Nc1ccc(I)cc1)NN=Cc1ccc(Br)cc1 254839145 CFEZNJUQCCXXAY-UHFFFAOYSA-N 500.134 3.923 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2Cl)cc1OC 1083987325 UCTJWUZXOGWIPX-UHFFFAOYSA-N 516.019 3.741 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772746971 GDCXWBIUZNUUFQ-UHFFFAOYSA-N 535.409 3.989 50 10 KHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749302 ZLXBHEHVHRBIAT-UHFFFAOYSA-N 513.894 3.596 50 10 KHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CCO1 2142288428 KKUGAUREMHMZER-PELKAZGASA-N 502.972 3.678 50 10 KHGE Cn1cc(Br)c(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)n1 20428354 PHIGBQLZIVMNQD-LSFURLLWSA-N 506.700 3.727 50 10 KHGE COc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2OC)cc1 96591885 ZOVXOWMXFVRYEB-AQTBWJFISA-N 508.508 3.715 50 10 KHGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)c1 101013649 ZDNBELUTOXULEJ-QJOMJCCJSA-N 561.664 3.546 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccccc3Cl)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118917239 JJHDYZGLZGFCAG-VFSFSBLISA-N 557.087 3.769 50 10 KHGE biogenic CC[C@](C)(NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1867076615 CHUXWMVVQZKKNI-DTKKNGCVSA-N 500.646 3.837 50 10 KHGE C[C@@H]([C@@H](Br)c1cc(I)ccc1Br)S(=O)(=O)N(C)C 2029076334 YLFLREZEKBJEEY-WRWORJQWSA-N 511.017 3.770 50 10 KHGE CC(C)[C@@H](NC(=O)CCOCCNC(=O)OC[C@@H]1[C@H]2CCC#CCC[C@H]21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2049382287 AGARCEMRBHGQGE-NEVWALFWSA-N 835.912 3.896 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]1[C@H]3C2 2378007191 FUBOIUYTERPTKI-PXFYBOFVSA-N 517.714 3.581 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Br)cc1 14644358 AXGHPXXDAJTHPV-JTQLQIEISA-N 506.578 3.859 50 10 KHGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCC(=O)N/N=C1/C(=O)N(C(C)C)c3ccc(C)cc31)C(=O)N2C(C)C 100870002 SYRRTQVBSBVJMY-DENOHBPFSA-N 544.656 3.715 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nnc1-c1ccccc1 1083861193 UCRQMVBHYNBMQN-UHFFFAOYSA-N 554.268 3.912 50 10 KHGE C=CCn1cc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3)n2CC=C)cn1 1084270197 KNTHHPNIKMQICW-INIZCTEOSA-N 576.468 3.694 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 1084356791 FVXRBUPGNVAMCE-UHFFFAOYSA-N 548.208 3.959 50 10 KHGE COc1ccc2c(c1)C(=NNC(=O)CCCCC(=O)NN=C1C(=O)N(CC(C)C)c3ccc(OC)cc31)C(=O)N2CC(C)C 1772720346 KIZUDDGMZXWVBE-UHFFFAOYSA-N 604.708 3.610 50 10 KHGE Cc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1C 1859004176 HTBYQOMVOWYUCE-UHFFFAOYSA-N 515.519 3.801 50 10 KHGE CC(C)(C)OC(=O)N1CC(/C=N/NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 2033817469 KNFHEDRFUIGGDX-TWKHWXDSSA-N 505.663 3.753 50 10 KHGE CCOC(=O)Cc1cc(I)cc(I)c1CBr 2055219670 SGULPRZGZFVAJV-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(C)cc1B(O)O 2283968766 GNDZLPMLKMSVOD-MRDQGFSESA-N 520.460 3.648 50 10 KHGE Cc1cc(CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2285024616 IJKOUYSEPZJIAF-RUZDIDTESA-N 520.460 3.648 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2OCC[C@]2(CBr)C1 2296361551 RXROVKJLINJLQR-OCCSQVGLSA-N 514.983 3.680 50 10 KHGE CCOC(=O)COc1cc(Br)c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313567708 MXCPWPWXHSRBKT-UHFFFAOYSA-N 528.403 3.655 50 10 KHGE C[C@@H]1[C@@H](C)[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CCN1C(=O)OC(C)(C)C 2349654482 JTQZDLGPZAEHDR-XCGNWRKASA-N 507.719 3.971 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC2(CN(C(=O)OC(C)(C)C)C2)C1 2349658321 VUPVOUFNFSKBNA-JOCHJYFZSA-N 505.703 3.727 50 10 KHGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 33370163 ZMEKKMMAUGUOFY-YJADQXIJSA-N 504.612 3.784 50 10 KHGE O=C(Cc1ccccc1)NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] 40611930 NJFONVDNTZIKLA-UHFFFAOYSA-N 523.597 3.982 50 10 KHGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c2)CC1 101013657 ZJNGYYXMKIVCQY-QPWQWLJXSA-N 617.728 3.705 50 10 KHGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccc(CN4CCOCC4)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 215669206 MMHLVMZAJQWPKO-GRVDODKOSA-N 572.699 3.666 50 10 KHGE biogenic COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 1084465023 PKOJIFMWWMPZNR-UHFFFAOYSA-N 575.441 3.750 50 10 KHGE CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=NNC(=O)CCCO)(c5ccccc54)[C@@H]3C2=O)cc1 1084645010 WQLZVODARQYNNY-AXLDUSBXSA-N 523.589 3.511 50 10 KHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1cc(Br)ccc1I 2097945089 IPHZJDYPXBDJLQ-ZJUUUORDSA-N 502.972 3.726 50 10 KHGE C[C@H](Br)[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CCO1 2117533362 PCMNARDEWNBFOI-UFBFGSQYSA-N 502.972 3.678 50 10 KHGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(I)o2)cc1 2295523554 LMMGPFGXXZHWFI-UHFFFAOYSA-N 528.350 3.871 50 10 KHGE CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14023277 QWCUOMRWRPASQK-INIZCTEOSA-N 500.187 3.904 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)c(Br)c1 100126296 HAKCUYYLGYCCLO-UHFFFAOYSA-N 550.475 3.539 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100202526 VEVZDMQYMOLSSA-UHFFFAOYSA-N 533.206 3.961 50 10 KHGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 101334652 BRZZYWHAXBEWBC-WPWMEQJKSA-N 585.686 3.808 50 10 KHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc(OC)c1OC(C)=O 254708748 VSKIWWNQBIOKTI-UHFFFAOYSA-N 546.605 3.879 50 10 KHGE Cc1ccccc1C(=O)/N=c1\[nH]nc(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2OCCOc2ccccc2)s1 254743844 LOBYWIBEWQUBHB-UHFFFAOYSA-N 560.592 3.580 50 10 KHGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084121509 LYMCIPQEMQHODP-UHFFFAOYSA-N 513.616 3.974 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 2343817804 PTRANOSUJNZLHA-QFIPXVFZSA-N 526.851 3.651 50 10 KHGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 100212875 STSIECYXUYJSMA-UHFFFAOYSA-N 543.399 3.928 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2OC)cc1 254395554 NDRZXWVNGULOKX-UHFFFAOYSA-N 531.550 3.530 50 10 KHGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@@H]1C[C@@H]1Br 1897190778 ZQYXBVVQCIRCDA-SZFUDVHCSA-N 536.444 3.955 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(Cl)cc1 12483866 RXUCEXQUTRBVHC-UHFFFAOYSA-N 506.578 3.779 50 10 KHGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 13989279 ITZVFPSVOWTMPJ-CYBMUJFWSA-N 500.187 3.822 50 10 KHGE CCOc1ccc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(OCC)c(OC)c3)o2)cc1OC 254814808 PFDQGVSHXZVGOT-UHFFFAOYSA-N 508.531 3.622 50 10 KHGE COc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1OC 254856593 SHKNKKQGFBLHQN-UHFFFAOYSA-N 511.534 3.956 50 10 KHGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)O 1083923978 LBELQSRTGFYSMM-XSFVSMFZSA-N 510.388 3.897 50 10 KHGE Brc1cc(I)cnc1N1CCC2(CC1)C[C@H](Br)CO2 2133374063 UNFMEAHXQKFRMZ-VIFPVBQESA-N 501.988 3.972 50 10 KHGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(Br)c1O 2293561044 PPVUKJPMBDFDGT-UHFFFAOYSA-N 538.354 3.813 50 10 KHGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@@H]3CCCO3)c2)CC1 2314476991 ZJNGYYXMKIVCQY-NDEPHWFRSA-N 617.728 3.705 50 10 KHGE O=C(NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1)c1ccc(NC(=O)C2CC2)cc1 10334225 ZXDMQQUKWLOOKY-UHFFFAOYSA-N 502.596 3.606 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 100161660 PVIOYZOTNBLWGB-UHFFFAOYSA-N 558.454 3.930 50 10 KHGE COc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc(OC)c1OC 103920699 SDHCFDNRYAXIKJ-XQNSMLJCSA-N 531.525 3.580 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 206489891 DVQSUAATTWFESU-HKWRFOASSA-N 503.555 3.889 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 1084576285 SJIUEQSAJSHDAA-UHFFFAOYSA-N 548.208 3.959 50 10 KHGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=C1CCCc2c1no[n+]2[O-] 1565517710 XOUFNLSIXRGXQL-HSZRJFAPSA-N 617.450 3.742 50 10 KHGE Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1S(=O)(=O)N(C)C 1866638222 LZZNEAPYBPIRBR-HSZRJFAPSA-N 508.625 3.928 50 10 KHGE CN1C(=O)C(=NNC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c2cc(Br)ccc21 2297220898 YLOQGRIYUTZNNC-UHFFFAOYSA-N 548.353 3.625 50 10 KHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c(Br)c1 13623343 WGRFPZNOCJMVMW-APWZRJJASA-N 502.409 3.538 50 10 KHGE CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 14042234 CNFXGMSYAFDIGQ-UHFFFAOYSA-N 508.438 3.860 50 10 KHGE C#CCOc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 100237546 OHOCXDWTUYOBAT-UQEONJGVSA-N 536.366 3.674 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869721 RIGAVGAECNAMEH-FDAWAROLSA-N 578.578 3.890 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C\c1ccc(OC(C)C)c(OC)c1 207235635 CAELMRNULUOUQG-WNZMCGRVSA-N 506.555 3.876 50 10 KHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCOCC1 1084429713 ZIJWIOPRBAIANP-UHFFFAOYSA-N 585.738 3.958 50 10 KHGE C[C@H]1CC(OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)S1(=O)=O 2352578719 KHXUKGCQNYICRV-KBPBESRZSA-N 501.427 3.562 50 10 KHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1I 14036111 VMMMZWYOQWHLDM-UHFFFAOYSA-N 511.385 3.810 50 10 KHGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40645775 SWVOMKDVOHCLRA-UHFFFAOYSA-N 501.843 3.624 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1I 100242095 LZSAXCIVKBGUHL-UHFFFAOYSA-N 575.428 3.871 50 10 KHGE COc1c(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254488425 FSCWODLSLHSGLQ-IBGZPJMESA-N 550.499 3.979 50 10 KHGE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866800860 OZPIZNCNOWCAAK-HSZRJFAPSA-N 569.661 3.513 50 10 KHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(I)ccc2Br)C[C@H]1Br 2130821023 IABURBPOCAHBKU-XXILOJSOSA-N 502.972 3.724 50 10 KHGE Cc1nc(I)c(I)n1-c1ccncc1CBr 2243269321 MYLCVEPVIDACDX-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)CCc3c[nH]c4ccccc34)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642516 KRPFBYNIKWZMKJ-ZIQBCLRCSA-N 589.733 3.915 50 10 KHGE CC(C)(C)OC(=O)N1C(=O)[C@H]2C[C@H]1[C@H](I)C[C@@H]2NC(=O)OCc1ccccc1 2297731571 JESNUBIUQOQQRA-FZKCQIBNSA-N 500.333 3.641 50 10 KHGE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2350357163 QXUGZEGAXNPESF-AOMKIAJQSA-N 507.719 3.973 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101595519 MLJPTHNSXKUADT-ZXVVBBHZSA-N 539.386 3.661 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1ccccc1Br 104768449 WMXUFIFIYAOJAM-FOKLQQMPSA-N 554.268 3.912 50 10 KHGE O=C(O)COc1ccc(Br)cc1C=NNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 252636914 XNMCDQCLWQPMGL-YEDPNLQASA-N 522.355 3.834 50 10 KHGE COC[C@](C)(CBr)N(C)C(=O)c1cc(Br)ccc1I 708335270 XFQVAWZTWWVSGC-ZDUSSCGKSA-N 504.988 3.926 50 10 KHGE CNc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084131862 SQPFQLKKWRNLTD-INIZCTEOSA-N 563.177 3.901 50 10 KHGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)cc1 1084205553 AOPQVOHNYZJPBZ-UHFFFAOYSA-N 579.462 3.936 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3cc[nH]c3c2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859007820 YXYCFUFRGBDDDY-UHFFFAOYSA-N 526.502 3.665 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCCN1CCOCC1 1865687638 WMGRTYSGYWYZJO-HSZRJFAPSA-N 555.557 3.888 50 10 KHGE CC[C@@](C)(NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1867076614 CHUXWMVVQZKKNI-CQLKWFSRSA-N 500.646 3.837 50 10 KHGE Cc1c(B(O)O)cc(C(=O)OC(C)(C)C)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887522217 LKGTZQMYVUGDGT-UHFFFAOYSA-N 542.441 3.701 50 10 KHGE C[C@H]([C@H](Br)c1ccc(Br)cc1I)S(=O)(=O)N(C)C 2086149683 QTRVRBXNAVWQDC-HQJQHLMTSA-N 511.017 3.770 50 10 KHGE BrC[C@@H]1C[C@@H]2OCCN(c3ncc(I)cc3Br)[C@@H]2C1 2135046499 MYHIDGLFYCOIJB-AXTRIDKLSA-N 501.988 3.827 50 10 KHGE CC[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@@H](CC)CN1C(=O)OCc1ccccc1 2163054027 SVRNEIFTRFLZJP-PMACEKPBSA-N 502.475 3.602 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314619751 DVETWKWLNYNEOT-UHFFFAOYSA-N 541.520 3.611 50 10 KHGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1I 14034351 ROOAAFLVJWTNDE-UHFFFAOYSA-N 511.385 3.665 50 10 KHGE CC1(C)[C@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1CC(=O)N/N=C/c1ccco1 34132488 AARCTNYOLASQTF-SYOQMXFQSA-N 502.616 3.638 50 10 KHGE O=C(NC(=S)NNC(=O)c1ccccc1I)c1cccc(OCCc2ccccc2)c1 100243316 GWRVDAPPTJSZTJ-UHFFFAOYSA-N 545.402 3.862 50 10 KHGE O=C(CCCO)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 105434161 OKRHOMGZHHXVKJ-QHBKFTANSA-N 558.432 3.874 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214321671 VWIFQIZDTOCFCQ-UTZZCCADSA-N 571.659 3.561 50 10 KHGE COc1ccc(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)CC2)cc1 215668144 AXISLXOLACSPOR-OLXQWDTPSA-N 558.672 3.875 50 10 KHGE biogenic O=C(NC[C@]1(CBr)CCCOC1)c1cc(I)ccc1Br 700914334 UDAGECXAMMBPJZ-CQSZACIVSA-N 516.999 3.975 50 10 KHGE CC(CC(=O)Nc1ccc(Br)cc1)=NNC(=O)CC(=O)NN=C(C)CC(=O)Nc1ccc(Br)cc1 1084597720 AIRYALLIXOVCLW-UHFFFAOYSA-N 608.291 3.943 50 10 KHGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1866128870 QEXULKAAZAKHKV-RVDMUPIBSA-N 510.797 3.669 50 10 KHGE Cc1nc(I)c(I)n1-c1ncccc1CBr 1936389731 WHRZLUGTUVAZEY-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE Cc1ccc(-n2c(C)nc(I)c2I)c(CBr)n1 2249961443 ZLRRVUOKRIWZDU-UHFFFAOYSA-N 517.934 3.988 50 10 KHGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314620549 QIQBBPGWWJBGCF-UHFFFAOYSA-N 511.494 3.603 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1Br 100158307 ZNJHWDOUVIDKQW-UHFFFAOYSA-N 544.427 3.865 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(Br)c1 100193738 KLQNRYFYLMZMTE-UHFFFAOYSA-N 545.253 3.958 50 10 KHGE COc1cccc(C=NNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c1O 254439279 POGXLNJMTFFTHD-UHFFFAOYSA-N 511.644 3.785 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 1084428758 WJCJFXIDURNFLX-UHFFFAOYSA-N 501.992 3.844 50 10 KHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(=O)c23)C1 1860771954 NACKSXZNVZAWEY-VXGBXAGGSA-N 509.415 3.677 50 10 KHGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1cc(Br)ccc1I 2178906222 IXNVMDAPIKZMKS-QWRGUYRKSA-N 516.015 3.593 50 10 KHGE Cn1ncc(-n2c(CCl)nc3cc(I)c(F)cc32)c1I 2280055229 BHYCPMALKRXLPV-UHFFFAOYSA-N 516.483 3.846 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 10154323 JSJGZQZMFBUDHC-OAHLLOKOSA-N 508.438 3.958 50 10 KHGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCOCC3)c2)C1 213224880 VVLCNNJQORLVHI-ZRZWOPFXSA-N 545.665 3.726 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214313583 NOMRKNNAROJPGT-YUMHPJSZSA-N 578.654 3.977 50 10 KHGE CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@H](C)C[C@@H]2[C@@H]3[C@H]([C@H](O)C[C@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 575346704 DJHCCTTVDRAMEH-OIDPRZHJSA-N 521.050 3.943 50 10 KHGE N#CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084366045 WLGGBJMTVXROHO-KRWDZBQOSA-N 542.171 3.920 50 10 KHGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1OCn1cccn1 1084428047 FCOZNTSSWARPPX-UHFFFAOYSA-N 540.609 3.813 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](I)C1 1994507562 UFHFRUZMZPMSSQ-QMMMGPOBSA-N 505.919 3.703 50 10 KHGE C[P@@]1(=O)C[C@H](NC(=O)c2cc(I)ccc2Br)[C@@H](Br)C1 2121336484 GZRZCGQSIVKTPV-ADWYPQAOSA-N 520.927 3.922 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 100203464 URCBMQWVGSONPL-HNNXBMFYSA-N 546.443 3.731 50 10 KHGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 100922410 CLRNKHCJVLPROR-AFAVFJNCSA-N 573.145 3.990 50 10 KHGE CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)CCCl)CC1)S(=O)(=O)c1ccccc1 103145909 LZXFKVRVFZGXMH-UHFFFAOYSA-N 538.085 3.875 50 10 KHGE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)C1=O 103349887 LNGXJSUPPOGCRW-VCHYOVAHSA-N 540.450 3.820 50 10 KHGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1083907667 WGGMXIIMRYCDDV-UHFFFAOYSA-N 602.467 3.540 50 10 KHGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084568179 SUIQOJLRJXQLBJ-UHFFFAOYSA-N 516.417 3.799 50 10 KHGE CC(C)Oc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858959602 WENIMOWLWNBACQ-UHFFFAOYSA-N 513.528 3.789 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2268644715 NEKXIBJVSQDLHA-CPJLOUKISA-N 506.795 3.912 50 10 KHGE C=CCN1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)O)SC1=NNC(=O)Cc1ccccc1 2314397528 UTSJOUOAUWVEPN-UHFFFAOYSA-N 530.400 3.645 50 10 KHGE CCOc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20616199 SENOGFOURLIJBB-HSWOHEEUSA-N 515.570 3.538 50 10 KHGE biogenic O=C(CCl)N[C@@H](NC(=S)Nc1ccccc1N1C(=O)c2ccccc2C1=O)C(Cl)(Cl)Cl 100917625 XXXPVPYYVBYKSA-KRWDZBQOSA-N 520.225 3.825 50 10 KHGE CCOc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 102737237 IXPGXBNFLGBILR-JESORCJZSA-N 560.651 3.656 50 10 KHGE biogenic CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)cc(I)c2O)cc1 1083906507 OCHYYDGADSUIED-QGZVFWFLSA-N 594.187 3.964 50 10 KHGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)c(=O)c1C#N 1084092863 YVLHOTVVDKSXQO-UHFFFAOYSA-N 540.418 3.504 50 10 KHGE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2267105132 HYUHQWFNQQNION-UHFFFAOYSA-N 502.533 3.992 50 10 KHGE C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 25424110 ZJPRADUMDFYJJE-XDJHFCHBSA-N 520.018 3.803 50 10 KHGE COc1ccc(NC(=O)NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1 33353413 OPAPRLXGPKBOQV-UHFFFAOYSA-N 534.598 3.905 50 10 KHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1cc(Br)ccc1I 235287198 MHMCZJVBKVIHMY-PSASIEDQSA-N 502.972 3.678 50 10 KHGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)c1 254863196 GDXPPCKJOXYYFN-UHFFFAOYSA-N 512.632 3.644 50 10 KHGE Cn1ncc([C@@H](Br)c2cc3nc(O)[nH]c3cc2Br)c1I 379208294 LOHRJSLGGFZJIT-JTQLQIEISA-N 511.943 3.853 50 10 KHGE COc1ccc(Br)cc1C=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1N 1084149778 GLGQXXWAMDKIOC-UHFFFAOYSA-N 517.453 3.571 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2285028731 CQWGUKZPBXFENT-BVZFJXPGSA-N 520.460 3.901 50 10 KHGE COCCCNC(=O)C(C#N)=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O 2296732224 JPVQNZVLIGOMSS-UHFFFAOYSA-N 507.594 3.961 50 10 KHGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 2314646846 RCAYTISJCRIUOD-HHHXNRCGSA-N 667.769 3.706 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 2379541629 PFMCGSHRVDOGEC-HXUWFJFHSA-N 529.672 3.972 50 10 KHGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 100318737 RIBZLRCWDKQABY-MRXNPFEDSA-N 565.490 3.685 50 10 KHGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H](CBr)O1 235666517 IEFGYBHDFKUBIM-WPRPVWTQSA-N 502.972 3.678 50 10 KHGE C[C@H]1Cc2c(Cl)cc(C(=O)N(C(=O)c3cc(Cl)c4c(c3)C(=O)O[C@H](C)C4)[C@@H](CSSC[C@@H](N)C(=O)O)C(=O)O)cc2C(=O)O1 585669660 FMIDXXSGPYEEDS-OIJXQXHUSA-N 685.560 3.725 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)Cc2ccc3nc(O)c(Cc4ccccc4)cc3c2)cc1 1867087573 HMPHTJMADGQQJR-VWLOTQADSA-N 512.591 3.763 50 10 KHGE O=C(N[C@H](CCS(=O)(=O)C[C@H]1C[C@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1991493978 RNSYCHFSMBBQBW-XCGNWRKASA-N 536.444 3.957 50 10 KHGE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)C(C#N)=C(C)N)c1 2042439545 CLAWNWYIGZMUNR-UHFFFAOYSA-N 507.490 3.569 50 10 KHGE COC(=O)c1cc(OC)c(OC)cc1NC=C1C(=O)N(CCc2c[nH]c3ccccc23)C(=O)C(C#N)=C1C 2296535457 GYZVAIYAQTUKSP-UHFFFAOYSA-N 514.538 3.719 50 10 KHGE O=C(Cl)COc1c(I)cc(I)cc1I 5542465 UPCFMHVXUFRCOC-UHFFFAOYSA-N 548.283 3.645 50 10 KHGE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)CCCO)c3ccccc32)c(C)c1 59382328 MFZODGBSOGQXHA-TZFYPYOLSA-N 507.590 3.729 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)ccc1Br 100162710 SSVYVAGTACYINK-UHFFFAOYSA-N 558.454 3.930 50 10 KHGE CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 103748775 SDBYMZPEJUESOA-MUFRIFMGSA-N 537.638 3.575 50 10 KHGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 104998796 IZQFZLMMLRCWAJ-VYIQYICTSA-N 523.343 3.846 50 10 KHGE COC(=O)[C@@H]1O[C@@H](Br)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 106404038 KXTNIKNREDJJSO-KEJFTWOCSA-N 583.387 3.956 50 10 KHGE O=C(CCCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 150420061 VOXGSJONABSLIG-UHFFFAOYSA-N 648.331 3.903 50 10 KHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1cc(I)ccc1Br 235287577 KRFCNOZBFMNVEV-PSASIEDQSA-N 502.972 3.678 50 10 KHGE C=CCc1cc(C=NNC(=O)c2cc(Br)c(O)c(Br)c2)cc(OC)c1OCC(=O)O 1084093628 KCNTVAOIZYOGNQ-UHFFFAOYSA-N 542.180 3.882 50 10 KHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 1772719705 NWECAKLNJXXSHZ-UHFFFAOYSA-N 518.526 3.873 50 10 KHGE Cc1cccc(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)c1C 1858957272 QEYPZTSOBASLIC-UHFFFAOYSA-N 531.518 3.523 50 10 KHGE C[C@H](Br)COCc1cn(-c2ccc(Br)c(I)c2)nn1 2278380120 JAEREGPMKWPYEM-QMMMGPOBSA-N 500.960 3.934 50 10 KHGE CN1CCC(CBr)(NC(=O)c2cc(Br)ccc2I)CC1 2381137993 ROEMDQSJNGXZRO-UHFFFAOYSA-N 516.015 3.643 50 10 KHGE Cc1cc(C)c(OCC(=O)NN=Cc2cc([N+](=O)[O-])cc(Br)c2O)c(Br)c1 2051871 KBFWQNKNZRWAFR-UHFFFAOYSA-N 501.131 3.971 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1cccnc1)[C@H]2Br 256019319 UILZNWUZDRQIDK-UVBJJODRSA-N 524.051 3.528 50 10 KHGE COc1ccc(/C=N\NC(=O)c2cc(F)ccc2NS(=O)(=O)c2ccc(Cl)s2)c(OCC(=O)O)c1 675031383 IMZFNLSHVMYPTR-VROXFSQNSA-N 541.966 3.577 50 10 KHGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750238 XZCQTBFYMUAIIK-UHFFFAOYSA-N 537.444 3.583 50 10 KHGE COc1ccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867223905 AZYDNPHRDDBDSN-MHZLTWQESA-N 587.702 3.925 50 10 KHGE CC[C@@](C)(NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867250184 HTVIDPJSEYRUDX-PGRDOPGGSA-N 528.436 3.981 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146696305 CRJIXSJOSSNHGJ-XDTLVQLUSA-N 514.983 3.821 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CCCN(CCBr)CC1 2207271386 JCTIRNNZYDOOLA-UHFFFAOYSA-N 516.015 3.597 50 10 KHGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285033141 ZWVNJKPCXMJPPG-DEOSSOPVSA-N 520.460 3.648 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(C(=O)O)cc1 2313568978 ZYNWZXMJZZQVQO-UHFFFAOYSA-N 520.323 3.962 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12492222 YAKYBSORUAOWRN-UHFFFAOYSA-N 507.522 3.613 50 10 KHGE CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c1 14042199 PVMGJPPQNQPQRL-UHFFFAOYSA-N 502.390 3.716 50 10 KHGE CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869773 LNOKILJAEVMXEJ-IBBHUPRXSA-N 614.449 3.973 50 10 KHGE O=C(NN=Cc1cc(O)c(O)c(Br)c1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082990294 FGIGVOFZCJFSFI-OJNCPARPSA-N 525.315 3.690 50 10 KHGE Cc1ccc(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(F)cc2)cc1 1083952415 JDKNSVUCYVDAQJ-UHFFFAOYSA-N 513.616 3.974 50 10 KHGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3Br)c(C)c21 1772746553 XESPGZRTTSQQGQ-UHFFFAOYSA-N 539.386 3.904 50 10 KHGE COC(=O)c1[nH]c2ccc(F)cc2c1/C=N/NC(=O)COc1ccc(C(=O)NCc2ccccc2)cc1 1873496395 ORRSOCXBVLNTDU-FJEPWZHXSA-N 502.502 3.553 50 10 KHGE COC[C@](C)(CCBr)NC(=O)c1ccc(Br)cc1I 2142284779 HTDVZMVMXYFMIS-ZDUSSCGKSA-N 504.988 3.974 50 10 KHGE CCOCCOCCOCCO[C@](C)(CI)CN(CC)C(=O)OC(C)(C)C 2239611377 MSSFWXYJEYMQSR-LJQANCHMSA-N 503.418 3.523 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101336534 NOMRKNNAROJPGT-JVWAILMASA-N 578.654 3.977 50 10 KHGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101493297 GYPDRBLXNFIZIU-UHFFFAOYSA-N 541.695 3.767 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OCC)cc1 254866780 RXMFTRZWEPWFBL-UHFFFAOYSA-N 593.633 3.999 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1OC 1084322997 ZPZMHHZSEFGPOS-UHFFFAOYSA-N 636.771 3.915 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCCN1CCOCC1 1865687585 VLYHHFLEFBAVMO-NDEPHWFRSA-N 529.641 3.794 50 10 KHGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1 1866214111 RJQPVYWWKJZDDX-SAPNQHFASA-N 513.963 3.502 50 10 KHGE BrC[C@H]1CN(c2ncc(I)cc2Br)CC2(CCC2)O1 2133376444 YFXIFCKZOIXCJD-JTQLQIEISA-N 501.988 3.972 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CC2(C1)OCCC[C@H]2Br 2159665082 VSLWLMWVOKKWBI-GFCCVEGCSA-N 514.983 3.822 50 10 KHGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3cc(Br)c(O)c(Br)c3)ccc12 2328804087 FBVFNFSGMWCQLO-UHFFFAOYSA-N 510.138 3.861 50 10 KHGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 38659744 RRUAEMFKNNDXHP-VWLOTQADSA-N 503.467 3.815 50 10 KHGE COc1cc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1O 103753022 AMACQPGAZQEKGN-GUUVYQKGSA-N 505.394 3.525 50 10 KHGE COc1cc(C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC(=O)/C=C\c1ccccc1 254508077 ALTJWNPJBIXDTN-XFLMMAAUSA-N 527.562 3.921 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc(C)c3)cc2OC)cc1 254772012 RCAOMLGZKYZZIY-UHFFFAOYSA-N 503.555 3.892 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)/C(=C/C=O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 953101211 VHWRERJXYWLJLF-YPUFYGQVSA-N 510.736 3.928 50 10 KHGE COc1cc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 1084497003 VFAABKVQNMYWDZ-UHFFFAOYSA-N 511.600 3.675 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772749470 UUAAGFAITCKSEX-UHFFFAOYSA-N 565.435 3.754 50 10 KHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1ccc(Br)cc1I 2207274252 ZXAFXHVNVOKPLB-LLVKDONJSA-N 516.015 3.643 50 10 KHGE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2282325540 GOIDIQDERMPELB-UHFFFAOYSA-N 538.588 3.540 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2358308631 KEXYNAOEYUMFNP-XTWCZFFVSA-N 514.983 3.536 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 33959182 NWECAKLNJXXSHZ-RDRPBHBLSA-N 518.526 3.873 50 10 KHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 100248697 JAOMKMWKEYZUMV-UHFFFAOYSA-N 552.491 3.876 50 10 KHGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1O 725396246 GRZBSFOMLHUDGI-UHFFFAOYSA-N 521.233 3.503 50 10 KHGE O=C(CCc1ccccc1Br)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771429 WCRXRQMQDBOYBA-UHFFFAOYSA-N 511.401 3.668 50 10 KHGE C[C@H]([C@@H](Br)c1ccc(Br)cc1I)S(=O)(=O)N(C)C 2086149684 QTRVRBXNAVWQDC-RDDDGLTNSA-N 511.017 3.770 50 10 KHGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1cc(I)ccc1Br 2101336264 GMVFNOUNAVDBTI-SCZZXKLOSA-N 502.972 3.584 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OC)c3O)n2-c2ccc(OC)cc2)cc1 254765722 VATNZIVSSOUUIU-UHFFFAOYSA-N 519.583 3.908 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CCOC[C@H]1CCBr 694884114 ZTLNWFVSDRIYOF-SNVBAGLBSA-N 502.972 3.680 50 10 KHGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCC(=O)OC 1084254510 NDVHJNWWPKGGBY-CPNJWEJPSA-N 528.403 3.655 50 10 KHGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CC(=O)NCCc3ccc(OC)c(OC)c3)c2C)cc1 1084320252 CLVZCSKYRNOBAH-UHFFFAOYSA-N 506.603 3.709 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccc(F)cc1)c1ccccc1 1084515938 PITVZWLQSAHMPO-UHFFFAOYSA-N 520.380 3.942 50 10 KHGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14654257 QDKDPDSSYLWCCD-UHFFFAOYSA-N 521.437 3.782 50 10 KHGE COc1ccc(N2C(=O)/C(=C/NNC(=O)c3cc(-c4ccccc4)n[nH]3)c3ccccc3C2=O)cc1OC 38189037 XAPGSMYMSZGIMC-LTGZKZEYSA-N 509.522 3.556 50 10 KHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 101608376 CCTKGCZHODFGSM-YZSQISJMSA-N 522.474 3.640 50 10 KHGE COc1cc(C(=O)NCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc(OC)c1OC 254306061 AZAPDANXOTVZQM-UHFFFAOYSA-N 500.555 3.596 50 10 KHGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 254559407 ACYYHCZQYOAEAG-UHFFFAOYSA-N 533.581 3.982 50 10 KHGE O=C(NN=Cc1cc(Br)c(N2CCOCC2)o1)c1cc(Br)cc(Br)c1O 1084141200 XYBITOMVSLFNKL-UHFFFAOYSA-N 552.017 3.873 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cccc(Cl)c2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858956837 UPVUCSZUNGSHBF-UHFFFAOYSA-N 507.883 3.795 50 10 KHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CCO1 2117530025 DUVDDSCUFLYQKT-PELKAZGASA-N 502.972 3.678 50 10 KHGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2ccc(I)c(Br)c2)C1 2121365785 ABGIYZLQMRRIJR-NWJBQHJCSA-N 520.927 3.922 50 10 KHGE Cc1cc(-n2c(C)nc(I)c2I)cc(CBr)n1 2250761511 GBIJHGFAZVTJCE-UHFFFAOYSA-N 517.934 3.988 50 10 KHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC 2313617066 AOPVQVYPBSIXQB-UHFFFAOYSA-N 512.415 3.905 50 10 KHGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14651237 LTYLYVPKFSDKEG-UHFFFAOYSA-N 508.438 3.761 50 10 KHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100082554 ZLMDKAMJGRGYEW-VMPITWQZSA-N 557.264 3.643 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Br)cc1Br 101828932 ZQIAPTZCIRTLHZ-MHWRWJLKSA-N 580.229 3.970 50 10 KHGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083909642 GAJPWGMBCYUQDL-UHFFFAOYSA-N 532.542 3.938 50 10 KHGE C=C(CO[C@H](NC(=O)CCl)C(Cl)(Cl)Cl)CO[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl 1614949938 QSWOITQRVLRWCZ-AOOOYVTPSA-N 533.878 3.678 50 10 KHGE O=C(NOCCCNS(=O)(=O)N1CCC(Br)CC1)OCC1c2ccccc2-c2ccccc21 1977697696 ACEXGZPSTBGJCZ-UHFFFAOYSA-N 538.464 3.541 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)CCc3c[nH]c4ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642515 KRPFBYNIKWZMKJ-RDLUAXHGSA-N 589.733 3.915 50 10 KHGE CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)c(SC#N)c1C 8927839 MZOPUMLYQBXAPG-INIZCTEOSA-N 509.631 3.607 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 100057629 CQQDIBNCVZMZFW-UHFFFAOYSA-N 525.197 3.709 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 150497611 NCACNSYRLRZIMM-MWAVMZGNSA-N 657.749 3.886 50 10 KHGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)NCc3ccc(CN4CCOCC4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 215669347 MMHLVMZAJQWPKO-HHXVAOFASA-N 572.699 3.666 50 10 KHGE biogenic Nc1nonc1-n1nnc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1CN1CCCc2ccccc21 254868263 STJRMJBAOGKHKE-UHFFFAOYSA-N 585.632 3.802 50 10 KHGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 2296846433 LTKQPOALIUKHTL-WOJBJXKFSA-N 520.611 3.807 50 10 KHGE N#CC(=Cc1ccc(N2CCOCC2)o1)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 2314646538 AUHCXQGGHLTOHZ-LJQANCHMSA-N 510.616 3.511 50 10 KHGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 101334292 RXMPIECLYQMOCI-BKKKIYDCSA-N 585.686 3.951 50 10 KHGE CSCC[C@@H](C(=O)Nc1cccc(C)c1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 103618878 ZJZCVKBDKIUHRQ-KTSXYBPLSA-N 544.309 3.833 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cccc(OC)c1 252621042 MRRNVPPCBBLDOW-UHFFFAOYSA-N 562.437 3.932 50 10 KHGE COc1cc(C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)c1ccccc1 254593683 OHHCUHWYHLLPNJ-UHFFFAOYSA-N 502.552 3.815 50 10 KHGE O=C(Cc1nnc(NC(=O)c2ccco2)s1)NN=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1 254733745 BCQICJNPPIQMDP-UHFFFAOYSA-N 506.500 3.563 50 10 KHGE CCCCCCCCCCCC(=O)O[C@H]1[C@H]([S@@](C)=O)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434895 CIBVDGZXDAXGHD-PGJMJKPGSA-N 623.297 3.877 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866805681 LWCGZUWWGWGQNY-RUZDIDTESA-N 568.652 3.887 50 10 KHGE CC[C@](C)(NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867250183 HTVIDPJSEYRUDX-GCJKJVERSA-N 528.436 3.981 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2283972319 QWOFECUKAXVXOB-ODCWNRFASA-N 508.330 3.537 50 10 KHGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 2313625011 QYQAHWFIYNUZHY-UHFFFAOYSA-N 506.422 3.695 50 10 KHGE O=S(=O)(Cc1ccsc1Br)NCC(F)(F)C(F)(F)CI 2361673124 XQAVXZGXLIOSOH-UHFFFAOYSA-N 510.110 3.636 50 10 KHGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1I 12576967 GNTDOPAHVVBBIC-VIFPVBQESA-N 509.127 3.835 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825286 SELOIULFBIFQPX-NLRVBDNBSA-N 506.544 3.598 50 10 KHGE N#C/C(=C\c1cc(Br)c(I)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 59105010 LKWJBGSTHJLXFI-OASKJUDXSA-N 508.117 3.854 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 101605404 SJVPNGFJKNZJOJ-WPWMEQJKSA-N 500.342 3.835 50 10 KHGE CCCCCCOc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 252426640 INZACIMZNYCMHW-OYTPZHDJSA-N 592.423 3.980 50 10 KHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2OC)c(OC)c1 254475524 QHDPDPYCASBBAM-OWXRICPPSA-N 504.499 3.542 50 10 KHGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1 1084225901 KVXDCUXNMMNVPM-UHFFFAOYSA-N 576.631 3.647 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1858997221 QEPDZAQNKBPAFW-UHFFFAOYSA-N 525.568 3.651 50 10 KHGE C[C@@H]1CC(OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)S1(=O)=O 2352578724 KHXUKGCQNYICRV-ZIAGYGMSSA-N 501.427 3.562 50 10 KHGE COC[C@@]1(CBr)C=CCN1C(=O)c1cc(Br)ccc1I 2379851927 PEVQAIKWRFSBAH-AWEZNQCLSA-N 514.983 3.846 50 10 KHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 13989276 ITZVFPSVOWTMPJ-ZDUSSCGKSA-N 500.187 3.822 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040737 QGOFPAOJXQTSMM-UHFFFAOYSA-N 507.612 3.982 50 10 KHGE COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cc1 20805850 SQJNPKPTDVTNNJ-LQKURTRISA-N 500.584 3.908 50 10 KHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38683450 CKSDEIKJDAAJMK-DEOSSOPVSA-N 501.451 3.584 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100057204 ZWYALDCARZAIES-UHFFFAOYSA-N 557.239 3.864 50 10 KHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCOC 100203193 OKUJGSOVBGWUHF-OAHLLOKOSA-N 538.464 3.702 50 10 KHGE CCOC(=O)C12CC(CI)(C1)O[C@H]2C1CCN(C(=O)OCc2ccccc2)CC1 2049399086 LUGATTWELBZXBV-XTWGIRIWSA-N 513.372 3.951 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2268643669 LCDFLKJMUWCZPW-QLODZENZSA-N 506.433 3.559 50 10 KHGE O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3116369 BDMCGSDQTZEZJU-KKMKTNMSSA-N 543.305 3.596 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccccc1Cl 12491937 HGTLJTXUGDZMJP-UHFFFAOYSA-N 506.578 3.779 50 10 KHGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40649916 ZGVHJSLQUADNHZ-UHFFFAOYSA-N 509.479 3.535 50 10 KHGE O=C(NP(=O)(N1CCCC1)N1CCCC1)C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1 97983532 GPKRGIXAIFEXLO-UZYVYHOESA-N 515.551 3.774 50 10 KHGE COc1cc(C=NNC(=O)COc2c(C)cc([N+](=O)[O-])cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254789976 GZFYRNWOXMUZAY-UHFFFAOYSA-N 567.551 3.994 50 10 KHGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1ccc(Br)cc1I 2142284536 DPCPGMDZPVLZHU-SCZZXKLOSA-N 502.972 3.584 50 10 KHGE C[C@H](Br)COCc1cn(-c2ccc(I)c(Br)c2)nn1 2278379943 HGPZOWMFBRFEGT-QMMMGPOBSA-N 500.960 3.934 50 10 KHGE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349654476 JTQZDLGPZAEHDR-WJONJSRFSA-N 507.719 3.971 50 10 KHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)c1 14041972 WPQIAAPVSMMDSL-UHFFFAOYSA-N 514.829 3.996 50 10 KHGE CC(=O)Nc1c(I)cc(I)c(C(=O)Cl)c1I 59441151 KSAOLFGTQOVNNT-UHFFFAOYSA-N 575.309 3.838 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607155 WJTDDONLZXRZIC-ZXVVBBHZSA-N 568.384 3.733 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CCCN(CCBr)CC1 232487660 UZCJKRMHSBWXNF-UHFFFAOYSA-N 516.015 3.597 50 10 KHGE Cc1ccc(CN2C(=O)C(=NNC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@H](C)C5)c3ccccc32)cc1 254501903 YXMDMPARVVKSFM-SFHVURJKSA-N 525.634 3.959 50 10 KHGE COc1ccc(C=NOCC(=O)NN=C2C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1 254770265 IQOBVWWFXQUOKD-UHFFFAOYSA-N 542.434 3.509 50 10 KHGE O=[N+]([O-])c1sc(CBr)cc1-n1cnc(I)c1I 404352619 KBQJYYXFFUBRAA-UHFFFAOYSA-N 539.918 3.946 50 10 KHGE CC(=NNC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc(Br)cc1 1084604142 URNYQEWIRGCOHG-UHFFFAOYSA-N 518.397 3.742 50 10 KHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)CC1 1772743874 MQYMNLICYNXCLU-UHFFFAOYSA-N 516.392 3.846 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178085814 HRKKMEMZNAIMQE-KWBADKCTSA-N 514.983 3.536 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](Br)C(F)(F)CC1 2364215691 VXDVBNACGFQQTK-QGZVFWFLSA-N 507.397 3.667 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 100228323 KTAOBVGZYPIEIX-UHFFFAOYSA-N 541.427 3.968 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1 150455286 PEEYDNAWZGTUIP-LJAKKAIASA-N 697.795 3.715 50 10 KHGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 217144859 DZWGVFLDYVNEPO-YPKPFQOOSA-N 514.913 3.838 50 10 KHGE COC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 1083932417 VLECIIKXPKHQOY-UHFFFAOYSA-N 523.611 3.707 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccc(SC)cc2)cc1 1084606946 LXOPOBFCQFVRNH-UHFFFAOYSA-N 541.651 3.924 50 10 KHGE CCCCN1C(=O)C(=NNC(=O)CCCCC(=O)NN=C2C(=O)N(CCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720546 PHXDCXBKDNZLPS-UHFFFAOYSA-N 604.708 3.898 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749091 HISKZAOTYIMSSH-UHFFFAOYSA-N 559.406 3.970 50 10 KHGE CN(C)CCCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc2C1=O 1866610462 UHTMQSULBPRICM-RUZDIDTESA-N 541.633 3.917 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866808571 XOUYNVBIINOQLN-RUZDIDTESA-N 550.662 3.748 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2283963705 MGVPWSJAKCCMTB-XWXLMPLOSA-N 520.460 3.901 50 10 KHGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 2285021878 XIEKPRFSDXWWPT-VWLOTQADSA-N 520.460 3.648 50 10 KHGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Br 6073528 QAFZMQQRUVHZQM-JYRVWZFOSA-N 541.221 3.969 50 10 KHGE CCOC(=O)COc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 100219137 LYRCUCFXKFJWKK-FQOPDIHJSA-N 554.381 3.596 50 10 KHGE N#CC1=C(N)n2c(s/c(=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(OCC(=O)Nc2ccccc2)cc1 150480485 ITRRQJMOHPBEBF-HQDPJDEYSA-N 680.746 3.896 50 10 KHGE COc1cc(/C=N/NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]3OC4(CCCCC4)O[C@H]23)cc(I)c1O 229447106 PGKNQBWYPMQJNS-QLKHZQQWSA-N 628.460 3.701 50 10 KHGE Cc1cccc(-n2c(C)cc(C=NNC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)c1 1084257166 OZCMHUXMOHSNNM-PMERELPUSA-N 619.769 3.617 50 10 KHGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C=NNC(=O)C(=O)NC3CCCCC3)o2)cc1 1084319458 AGFVOJFDZZTKMN-UHFFFAOYSA-N 536.654 3.878 50 10 KHGE COc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)c(OC)c1 1084570583 SYFKJIMJILBYCX-UHFFFAOYSA-N 562.442 3.821 50 10 KHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccccc3)c(N3CCN(Cc4ccccc4)CC3)nc12 2296546032 ISDFNKDEPASROW-UHFFFAOYSA-N 518.621 3.549 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 2314646982 XNTSDYRCDFZGLY-FQEVSTJZSA-N 559.556 3.780 50 10 KHGE COCCN1C[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2349858319 WCQIBMKFTMOQOC-AAEUAGOBSA-N 503.016 3.938 50 10 KHGE O=C(N[C@H](CSCc1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 8386137 FPEYAFJVJUFAPZ-FDCKDHBTSA-N 507.528 3.685 50 10 KHGE CN(C)c1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1Br 1084374556 NNTFFRCNFLWDPO-UHFFFAOYSA-N 529.460 3.683 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746071 OSOOFSICZCXXIG-UHFFFAOYSA-N 509.906 3.695 50 10 KHGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1cc(I)ccc1Br 2206484506 JGFOBRYWHIYVPN-NEPJUHHUSA-N 514.983 3.869 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCC#N 2313567497 KKLJKPBLEDNZGQ-UHFFFAOYSA-N 542.377 3.848 50 10 KHGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OC 34736834 POCXBRSXWNXMJX-SDQBBNPISA-N 509.256 3.858 50 10 KHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)C[C@@H]1SC(=O)N=C1O 254376434 XATCTORQKJNVFS-KRWDZBQOSA-N 514.541 3.566 50 10 KHGE O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100081210 JUERZVZNGHGZLH-UHFFFAOYSA-N 533.448 3.682 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)c(C)c2)c(Br)c1 100088069 LPJPPBCOQHYEJX-UHFFFAOYSA-N 559.280 3.562 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 101340938 POYCCCLZQSTOBG-OEAKJJBVSA-N 526.549 3.712 50 10 KHGE O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 105682601 UDJMAGJCLWUGAA-YAGSLNJISA-N 600.569 3.864 50 10 KHGE COC(=O)COc1cc(Br)c(C=NNC(=O)c2ccc(COc3ccccc3)o2)cc1OC 254625945 GBAOFGIXVBUTJQ-UHFFFAOYSA-N 517.332 3.945 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccccc2Cl)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084410544 FNAAFXPXGPCIBJ-UHFFFAOYSA-N 514.991 3.653 50 10 KHGE CCOc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1Cl 1873794036 RNQAWPCWTCHEEF-CCVNUDIWSA-N 506.946 3.884 50 10 KHGE Cc1c(N)cc(Br)cc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2181744688 HJIWKJCFDNRKOP-UHFFFAOYSA-N 500.506 3.524 50 10 KHGE CCOc1ccc(NCC(=O)N/N=C/c2ccc(/C=N/NC(=O)CNc3ccc(OCC)cc3)cc2)cc1 12574337 VNSRUXAQZPBGQA-LTTYKRRRSA-N 516.602 3.608 50 10 KHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 100233431 ZPJAJUBMKSBURN-UHFFFAOYSA-N 546.443 3.732 50 10 KHGE COc1c(Br)c(Br)c(NCCCC(=O)NN)c(Br)c1Br 105660741 OJIMTJKZUPBHMU-UHFFFAOYSA-N 538.860 3.927 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2ccc(N3CCOCC3)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866904928 PBUPOHUDPMSAHV-MUUNZHRXSA-N 558.660 3.930 50 10 KHGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1cc(Br)ccc1I 2101337941 SIMPNGAUZHYYTO-WCBMZHEXSA-N 502.972 3.584 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2268644625 LYHIQNJVXQWJSJ-LMKMVOKYSA-N 506.795 3.912 50 10 KHGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 2285014045 XIEKPRFSDXWWPT-RUZDIDTESA-N 520.460 3.648 50 10 KHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)c1 14641638 GGNIRTCCZYYLCL-UHFFFAOYSA-N 500.802 3.606 50 10 KHGE COc1cc(C=NNC(=O)CNc2ccccc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 27519721 ZOHCWSNBOLQEIY-UHFFFAOYSA-N 507.543 3.811 50 10 KHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814543 IGRJWSXEASFDKU-VFCFBJKWSA-N 518.526 3.959 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100203400 OXOAKVNWDIFNAT-UHFFFAOYSA-N 571.453 3.676 50 10 KHGE N#C/C(=C(\O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nnc(N2CCOCC2)n1-c1ccccc1 102941530 VXNVGDRIGAWJLM-DARPEHSRSA-N 501.547 3.952 50 10 KHGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c(OC)c1OC 254854829 OIJCSSQOZASFTL-UHFFFAOYSA-N 518.595 3.962 50 10 KHGE CC(=O)Nc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858673136 JEBFUTRFNCPOKW-UHFFFAOYSA-N 523.596 3.659 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)c(B(O)O)cc1C 2283969032 OBPNGAHTBCFJER-SOKVYYICSA-N 500.404 3.875 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2C)cc1Br 14041425 CESQTGNEQVSPBW-UHFFFAOYSA-N 508.438 3.959 50 10 KHGE Cc1cc(Cl)cc2c1NC(=O)/C2=N\NC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 33355909 YPQNUSPGESXQIK-VUTAGKHMSA-N 546.020 3.666 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)c(Br)c1 100088087 YQEGPNYKBAJUBQ-UHFFFAOYSA-N 576.254 3.639 50 10 KHGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 101545202 KQQQFEJPVSBKND-UHFFFAOYSA-N 554.460 3.662 50 10 KHGE CCC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867248284 WNFJCVOOFPJQIN-MOPGFXCFSA-N 528.436 3.981 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2281792895 YNOJMSZMYIPCDM-UHFFFAOYSA-N 500.467 3.761 50 10 KHGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285022593 ZWVNJKPCXMJPPG-DEOSSOPVSA-N 520.460 3.648 50 10 KHGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 2313624989 NUSKOBOWKGNSFK-UHFFFAOYSA-N 503.205 3.870 50 10 KHGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2350352063 GYVZSKIWEDNMFA-HZPDHXFCSA-N 507.719 3.828 50 10 KHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)cc1 40992481 WXNLXCCHZJLXSE-PXYULHTISA-N 515.360 3.755 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602221 QJJOXRXGUQUGQJ-WPWMEQJKSA-N 527.896 3.834 50 10 KHGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cc1 198739293 MHUUUZPNHIJOSE-RWPZCVJISA-N 571.371 3.789 50 10 KHGE CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 199853563 ACUCNTBNWRWVMU-DMNJWKMDSA-N 831.096 3.514 50 10 KHGE in-vitro COc1ccc(CC(=O)Nc2ccc(C(C)=NNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)cc1 254447720 CWUSZIINSHWLIQ-UHFFFAOYSA-N 548.665 3.818 50 10 KHGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OC2CSC2)cc1)S(=O)(=O)c1ccccc1 1083951193 SAYKNXLMWHDCPQ-UHFFFAOYSA-N 525.652 3.925 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Br)c2)Cc2ccccc2)cc1OC 1084345510 NCMIIFYPGWCYMH-UHFFFAOYSA-N 546.443 3.808 50 10 KHGE CCCN1C(=O)C(=NNC(=O)CCCCC(=O)NN=C2C(=O)N(CCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720878 ZPWTYRAKJYUOMO-UHFFFAOYSA-N 544.656 3.718 50 10 KHGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865708815 GOUDQIMNWONEKG-LJQANCHMSA-N 507.513 3.693 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)cc1 1866926087 DSRZMHIXDLHZCT-DENIHFKCSA-N 517.698 3.831 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201763818 QIWOGUUYHWTNGK-OTYXRUKQSA-N 514.983 3.822 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(C)c(C)c1B(O)O 2283968510 DXIRZTUPJUDHMG-AKJBCIBTSA-N 520.460 3.614 50 10 KHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1Br 14776643 CNWLUJHVRWYQSG-UHFFFAOYSA-N 503.422 3.774 50 10 KHGE CCO/C(SS/C(OCC)=C(\C#N)C(=O)NCc1ccco1)=C(\C#N)C(=O)NCc1ccco1 34713877 HJHMFVQDCVLQHX-QGFZOGOGSA-N 502.574 3.730 50 10 KHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 105445804 DYDLRDOATGJWGH-FYJGNVAPSA-N 519.355 3.701 50 10 KHGE COc1c(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254488426 FSCWODLSLHSGLQ-LJQANCHMSA-N 550.499 3.979 50 10 KHGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 254520162 ZAFFFVSKZFFCHV-UHFFFAOYSA-N 505.527 3.801 50 10 KHGE C[C@H]1Cc2c(Cl)cc(C(=O)N(C(=O)c3cc(Cl)c4c(c3)C(=O)O[C@H](C)C4)[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O)cc2C(=O)O1 585669661 FMIDXXSGPYEEDS-RIGLRQJQSA-N 685.560 3.725 50 10 KHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCCC1 1083954499 SHWOAMSXMOAFHP-UHFFFAOYSA-N 595.737 3.984 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1Br 13976455 FNNNJOFCNXPLSU-UHFFFAOYSA-N 508.438 3.535 50 10 KHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(NC(=O)CC(C)C)cc3)cc2)cc1 100066344 OYUSFLHTARZDII-UHFFFAOYSA-N 600.676 3.805 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 100078067 KBNZINDYBGKMOL-UHFFFAOYSA-N 586.089 3.998 50 10 KHGE COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)cc1OC 1772720405 NLNKLDHUHUFQNK-UHFFFAOYSA-N 524.526 3.721 50 10 KHGE Cc1c(I)c(C)c(B(O)O)c(C)c1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887511135 CXQWGIYXHHJVEF-UHFFFAOYSA-N 541.194 3.935 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)C(=CC=O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 2054743693 VHWRERJXYWLJLF-BVSLBCMMSA-N 510.736 3.928 50 10 KHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(Br)cc3)nc12 33897158 GZNFPQRHXGLPIV-UIRWJGRMSA-N 509.360 3.760 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 101405946 XNTSDYRCDFZGLY-FVHJOOJJSA-N 559.556 3.780 50 10 KHGE BrC[C@@H]1CO[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]12 2349859103 FUIQWYXBCOEZAR-SUNKGSAMSA-N 501.000 3.895 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(C)cc2Br)c(Br)c1 100088048 UKIUXMQIFBZORQ-UHFFFAOYSA-N 559.280 3.562 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNS(=O)(=O)c1ccccc1)[C@@H]2Br 100922408 YGJNMPGDIIPYBC-RLCCDNCMSA-N 559.118 3.682 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 101405941 XNTSDYRCDFZGLY-SPMKTWQFSA-N 559.556 3.780 50 10 KHGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 254517715 JZDWVVBJKAFPIH-UHFFFAOYSA-N 509.486 3.629 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858962388 MYBVDHLZHLMJPO-UHFFFAOYSA-N 512.475 3.623 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)[C@@H](Br)C2CCCC2)C1 2250347142 ZEXADAOPADOGKG-KRWDZBQOSA-N 504.466 3.913 50 10 KHGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1ccc(Br)cc1I 2279407028 IDNGJRKSTZHQIL-MWLCHTKSSA-N 516.999 3.974 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC12CC(NC(=O)OC(C)(C)C)C2 2349647332 YQIMZUUZWIPUTK-KGSCVUAUSA-N 505.703 3.773 50 10 KHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OC)c1 40880033 KERRMUFKDRIFFM-WOJGMQOQSA-N 517.376 3.729 50 10 KHGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 254402820 MHAZSQXDQZDDOG-UHFFFAOYSA-N 503.555 3.973 50 10 KHGE Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3ccc(/N=C/N(C)C)nc3=O)C[C@H]2O[Si](C)(C)C(C)(C)C)cc1 575417573 ZUJSQQXFSLCHQA-WOUVITSESA-N 550.754 3.857 50 10 KHGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 1083959481 XCXWOEGKNXGKQZ-UHFFFAOYSA-N 502.442 3.510 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)Oc1ccc([N+](=O)[O-])cc1 1858957502 COHGUQMTAIJSLQ-UHFFFAOYSA-N 513.572 3.905 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](I)C1 1994516214 PMDKHMWOXKIYDC-MRVPVSSYSA-N 505.919 3.703 50 10 KHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1OC 2313617094 DBFGNTPXRLHCFB-UHFFFAOYSA-N 510.616 3.572 50 10 KHGE CC(C)[C@@H](Br)C(C)(C)CN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2365906535 DAIGXYRJDKNHGG-DYESRHJHSA-N 505.450 3.718 50 10 KHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 33605604 JSOOMQQXZUDIEV-XIWWWBPQSA-N 504.499 3.542 50 10 KHGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2Br)ccc1OCC(N)=O 1084187019 DWPYOTVNWRMGQS-UHFFFAOYSA-N 539.386 3.728 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744526 WAYHWUNVQCSCLN-UHFFFAOYSA-N 509.906 3.695 50 10 KHGE COC(=O)[C@@H]1O[C@@H](Br)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1848433575 KXTNIKNREDJJSO-MRKXFKPJSA-N 583.387 3.956 50 10 KHGE Cc1cc(Br)c(S(=O)(=O)NCCOCCCI)cc1Br 2160290738 WNPAKJHZRRTTPU-UHFFFAOYSA-N 541.043 3.640 50 10 KHGE O=C(NCC(F)(F)C(F)(F)CI)c1c(F)cccc1I 2361670204 PQEVIZLGQRCESN-UHFFFAOYSA-N 518.989 3.866 50 10 KHGE COc1ccccc1C(=O)NCC(=O)N/N=C/c1c(Br)cc(Br)c(O)c1Br 1952604 YZDUWONNMWZNFD-QPJQQBGISA-N 564.028 3.568 50 10 KHGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14028075 IDJWTPBBJCYJTF-UHFFFAOYSA-N 519.623 3.857 50 10 KHGE CCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1OC 20073710 SLBDMNRDGRTXIF-ISNDEZQZSA-N 509.628 3.832 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c1 150452568 YCWSXKSTWWIDMT-ZTKZIYFRSA-N 645.738 3.742 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 164215401 IVSLPIKBFGVQGC-NUGSKGIGSA-N 644.262 3.729 50 10 KHGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OCC 725404737 URPYUXDXDKZWDN-IBGZPJMESA-N 507.381 3.754 50 10 KHGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1865759277 RGHCYEVLKXFCAE-UHFFFAOYSA-N 507.399 3.689 50 10 KHGE Cc1nc(I)c(I)n1C[C@]1(CBr)CC1(F)F 1904744593 BAEUEMNXTFCZRC-MRVPVSSYSA-N 516.893 3.821 50 10 KHGE COc1cccc(C(=O)N/N=c2\oc3c(OC)cccc3cc2C(=O)NCCc2ccc(OC)c(OC)c2)c1 3028091 PSGUZOZNTSYCGG-OVXWJCGASA-N 531.565 3.685 50 10 KHGE biogenic CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1I 13980510 FKTNDZNLNQAHSB-CYBMUJFWSA-N 511.385 3.519 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC(=O)OC)c(I)c2)cc1 100235189 QWGNJHWRGMUUTM-VPCUTTBHSA-N 619.250 3.968 50 10 KHGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@H]4CCCO4)c(=O)oc3c2)cc1OC 206543866 JLAHZSLXXGHBTE-XQJRBFNUSA-N 518.522 3.622 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCCN1CCOCC1 1865687307 ODUKYXAKHLSOOD-MHZLTWQESA-N 550.619 3.872 50 10 KHGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 2295934291 XIGCQESAPOMLQW-UHFFFAOYSA-N 504.977 3.691 50 10 KHGE CCc1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 12491963 XGIDCEQWAGZYNW-UHFFFAOYSA-N 500.187 3.688 50 10 KHGE COc1ccc(/C=N/NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)cc1 27520382 CYQXXNOLHCAVKF-CCVNUDIWSA-N 505.372 3.792 50 10 KHGE N#C/C(=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 35043957 LDHJCPHTJVBEIR-ZSOIEALJSA-N 506.456 3.761 50 10 KHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38683316 WWGGKVYQDBNPIF-XMMPIXPASA-N 501.451 3.584 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 101591872 VZGGWNRUBGXPCP-NLRVBDNBSA-N 509.360 3.896 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NNC(C)=C3C=CC(=O)C=C3)n2-c2ccc(OC)cc2)cc1 136183493 ZZQKKJDMEQZTIU-UHFFFAOYSA-N 503.584 3.634 50 10 KHGE COc1ccc(N(CC(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084290533 LWELJEBAXCUVOY-UHFFFAOYSA-N 526.571 3.656 50 10 KHGE C[C@@H](C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772095 QSKZLHBVBMWYMU-KRWDZBQOSA-N 502.596 3.938 50 10 KHGE COc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867221489 YFUKHTIHQOWSKP-VWLOTQADSA-N 545.665 3.706 50 10 KHGE Cc1cc(C(=O)NNC(=O)C=Cc2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)n1-c1ccccc1 2042445796 MITYTIDBMSIFJC-UHFFFAOYSA-N 518.595 3.640 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 14655753 ZSVYFBAEPGNGJJ-UHFFFAOYSA-N 515.227 3.868 50 10 KHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1 100081162 JACQVYPXJOELOG-SNVBAGLBSA-N 521.220 3.624 50 10 KHGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNS(=O)(=O)c2ccccc2)cc1 254492898 MLGRXCNDEXUFQL-UHFFFAOYSA-N 531.590 3.886 50 10 KHGE C=CCn1c(SCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nnc1-c1cccnc1 1084022090 FVJRKKZENSYLDT-UHFFFAOYSA-N 552.252 3.999 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCC#N)c(OCC)c2)cc1 1084180809 NXFPLPGFVZMLLQ-HXUWFJFHSA-N 551.381 3.955 50 10 KHGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)CC1 1084606987 PPYIPRLYFUUXNV-UHFFFAOYSA-N 527.547 3.920 50 10 KHGE COC(=O)COc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313566881 CMLKXPXFTSOBSP-UHFFFAOYSA-N 657.246 3.703 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2350357924 VUCIIQVCEGNWSB-JOCHJYFZSA-N 505.703 3.869 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 101492403 ICWKRSNDXKFGIS-UHFFFAOYSA-N 571.175 3.733 50 10 KHGE COc1cc(C(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc(OC)c1OC 104803658 ZWXRREBORKKQEP-UHFFFAOYSA-N 554.463 3.621 50 10 KHGE CCOC(=O)COc1ccccc1C=NNC(=O)/C(=C/c1cc(OC)ccc1OC)NC(=O)c1ccccc1 254513476 DQSMYSBYVKMNBR-JEKCHHJISA-N 531.565 3.567 50 10 KHGE CCCNC(=O)CN1C(=O)C(=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c2ccccc21 1084300411 DCRDAEOHBXIHKP-UHFFFAOYSA-N 512.610 3.785 50 10 KHGE O=C(O)CCN1C(=O)C(=Cc2ccc(N(CCBr)CCBr)cc2)SC1=S 2297624168 UYXYREKNWAGXHS-UHFFFAOYSA-N 522.284 3.959 50 10 KHGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccccc1I 33573314 TZKMXCDGIREZTI-LBPRGKRZSA-N 517.161 3.899 50 10 KHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 100102604 AZLQUHPYYAWNIE-UHFFFAOYSA-N 594.713 3.829 50 10 KHGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1OC 101606898 BRZYLRURXJPZDN-MWAVMZGNSA-N 534.569 3.885 50 10 KHGE CCN(CC)c1ccc(C=NNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1 252627783 SBKAOWFQJKTNFT-UHFFFAOYSA-N 524.643 3.896 50 10 KHGE COc1cc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc(OC)c1OC 254863570 VRLHJPQYIQVZTA-UHFFFAOYSA-N 541.560 3.965 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772749641 OOBRYRCNWSYVDA-UHFFFAOYSA-N 552.403 3.661 50 10 KHGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712286 UWWOVZJESSHPNN-FQEVSTJZSA-N 510.304 3.841 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CC2(C1)OCCC[C@@H]2Br 2159660095 KRKRBRFJMXFKEN-LBPRGKRZSA-N 514.983 3.822 50 10 KHGE C[C@@]1(CBr)COCCN(C(=O)c2ccc(Br)cc2I)C1 2207265161 NUFZLCRCSTXNEP-AWEZNQCLSA-N 516.999 3.927 50 10 KHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC12CCCCC2 2241026366 KTWUZBVBGGTLJX-MGPUTAFESA-N 501.418 3.513 50 10 KHGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 100088138 IUHVARRXEBXKHJ-UHFFFAOYSA-N 541.638 3.889 50 10 KHGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100285192 POKPDTYCOXGLLP-KPKJPENVSA-N 529.372 3.625 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 101605439 ACZVLSVNOTVGFW-OGLMXYFKSA-N 530.368 3.600 50 10 KHGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)cc1 103228628 KHEGTAWXWOUTGY-NDRZJSJOSA-N 528.646 3.990 50 10 KHGE C/C(CC(=O)Nc1ccc(Br)cc1)=N/NC(=O)CC(=O)N/N=C(\C)CC(=O)Nc1ccc(Br)cc1 105637287 AIRYALLIXOVCLW-UCVGCXKCSA-N 608.291 3.943 50 10 KHGE O=C(NCCCCI)c1cc(I)ccc1Br 232465295 KLDWAYFCUPEKQK-UHFFFAOYSA-N 507.935 3.999 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c3c2CCC3)cc1 1866854439 KAFCEERWNMQTFR-IBGZPJMESA-N 516.410 3.970 50 10 KHGE COc1cc(C=CC(=O)NNC(=O)c2ccccc2NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 2053624956 WWGGUNPPXAWWFR-UHFFFAOYSA-N 591.617 3.865 50 10 KHGE CO[C@@H]1[C@H](OC)CN(Cc2ccc(I)c(Br)c2)[C@H]1CBr 2377318772 UQJDHJIRUPRUDN-MJBXVCDLSA-N 519.015 3.663 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl 13978009 HCGLCESTNMVSTR-UHFFFAOYSA-N 506.578 3.779 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)ccc1Br 14034448 VNUWBTFYPRPJJU-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE CCOc1ccc(N(CC(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 19950799 NTSHNFQCWUFJNG-DIBXZPPDSA-N 511.600 3.838 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100088211 BSXZRSSCVBJSGT-UHFFFAOYSA-N 551.644 3.588 50 10 KHGE COC(=O)c1ccc(/C=N/NC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)N/N=C/c4ccc(C(=O)OC)cc4)cc3)cc2)cc1 164723983 JZUURZVQAVUUMB-ZXHXELASSA-N 626.647 3.620 50 10 KHGE CCOc1cc(C=NNC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1c(C)cccc1C 252627201 ROSVLKAXEFRNFR-UHFFFAOYSA-N 516.598 3.529 50 10 KHGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 254405243 YQHDPODHVHATBE-PGILIVPESA-N 517.542 3.686 50 10 KHGE Cc1ccc(OCC(=O)O)c(C=NNC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cccs2)c1 1081159505 DEDZJADKZGUBLB-UHFFFAOYSA-N 507.977 3.738 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2c(O)ccc3ccccc23)cc1 1084101537 VEVBZEAYCCVKCO-UHFFFAOYSA-N 517.607 3.938 50 10 KHGE CC1(C)CC[C@H](Br)[C@H](CNS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2164512013 FINUZFYOMXFCIZ-LFRPXUGBSA-N 503.434 3.520 50 10 KHGE CN(C[C@H](Br)C1CCCCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2167652701 UROPNQYGKRZIII-RXVVDRJESA-N 503.434 3.616 50 10 KHGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1ccc(I)c(Br)c1 2195507440 VYQYLFUPFXFCLV-KOLCDFICSA-N 516.999 3.974 50 10 KHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 100082799 MKXQGWDEVYKVPN-UHFFFAOYSA-N 518.766 3.609 50 10 KHGE Cc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(=O)(=O)N(C)C 1866633402 MGUZQYSZRPLWJT-HSZRJFAPSA-N 538.651 3.504 50 10 KHGE C[C@@H]([C@H](Br)c1ccc(I)c(Br)c1)S(=O)(=O)N(C)C 2029074534 LBVLRVQWPUVJKA-CPCISQLKSA-N 511.017 3.770 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)cc1I 2313616898 PJGRUPNPVHNBIO-UHFFFAOYSA-N 531.375 3.802 50 10 KHGE CCCOc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br 14647220 DPVMAABCXXIIJM-UHFFFAOYSA-N 503.134 3.917 50 10 KHGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1O 59676539 GRSZUGREEFTXPU-SFQUDFHCSA-N 503.340 3.651 50 10 KHGE O=C(NN=Cc1cc(Br)ccc1O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252604356 FZBLLIZYIUDSND-RCUWXBNRSA-N 509.316 3.984 50 10 KHGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c(C)c1I 1887515487 AUPNXBBDKOHPBW-UHFFFAOYSA-N 596.274 3.655 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CCO[C@@]2(CBr)C1 2239915255 HPAVNHNITJXWSO-OTYXRUKQSA-N 514.983 3.680 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(C)cc1B(O)O 2283967684 GNDZLPMLKMSVOD-QLXKLKPCSA-N 520.460 3.648 50 10 KHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 9821904 JPWBLPNIGIQSIO-CYBMUJFWSA-N 500.404 3.512 50 10 KHGE Cc1ccccc1C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 12500862 VLFXZKVHCVBIAY-UHFFFAOYSA-N 515.227 3.543 50 10 KHGE COC(=O)c1nn(-c2ccccc2)/c(=N/CCSSCC/N=c2/sc(C(=O)OC)nn2-c2ccccc2)s1 103699436 NZULZBAGLUTKJX-MJPLYFDISA-N 588.762 3.637 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1 254506699 ZBBZNSFPPZICEU-UHFFFAOYSA-N 531.594 3.981 50 10 KHGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 1084549453 VBPLHEBFNDOIJH-QHCPKHFHSA-N 571.659 3.683 50 10 KHGE CC[C@H](c1ccc2c(c1)CCCC2)N1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960547 DMORYAPSAVXTHS-CCDWMCETSA-N 503.647 3.642 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2207264158 BREIYHSBVMULEM-WOFXILAISA-N 514.983 3.536 50 10 KHGE CCOCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100233058 CPVYFHQKSHFZGZ-UHFFFAOYSA-N 530.213 3.775 50 10 KHGE COc1cc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 1084363954 FWSXBHVJUBNHJL-UHFFFAOYSA-N 515.563 3.506 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743963 MOSNSVPAXBFHBJ-UHFFFAOYSA-N 509.360 3.896 50 10 KHGE CN1CCN(C(=O)c2ccc(Br)cc2I)[C@@H](CCBr)C1 2207267363 LCFLBSKPXXAEOY-NSHDSACASA-N 516.015 3.595 50 10 KHGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 2296846431 LTKQPOALIUKHTL-BGYRXZFFSA-N 520.611 3.807 50 10 KHGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)oc12 2314450876 ZOQCMQCWASLNJG-FQEVSTJZSA-N 502.552 3.504 50 10 KHGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c2ccccc21 59166730 DCRDAEOHBXIHKP-PJJLUWSFSA-N 512.610 3.785 50 10 KHGE COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 105070757 DISZZWULJRRAHN-CCVNUDIWSA-N 524.371 3.865 50 10 KHGE COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N(C)C(=O)CCCCCl)cc2)CC3)cc1 1857784733 CWBDDMWIXDCDDD-UHFFFAOYSA-N 509.994 3.555 50 10 KHGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)ccc1OCC(=O)N(CC)CC 1865706858 HHQNBCGORGDMNZ-RUZDIDTESA-N 531.613 3.960 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC(CBr)(CC(F)F)CC1 2188337447 NFRRYWUOLLQTOZ-UHFFFAOYSA-N 507.397 3.525 50 10 KHGE Cn1cc(I)c(CC(CBr)(CBr)C2CCOCC2)n1 2341860603 UGMSMJKRDVBQMK-UHFFFAOYSA-N 506.020 3.770 50 10 KHGE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2350358853 ZEOMXQKYWUQVBE-ZHRRBRCNSA-N 507.719 3.973 50 10 KHGE CN(CCNC(=O)CCl)c1ccc2c(c1)Oc1cc(N(C)CCNC(=O)CCl)ccc1C21OC(=O)c2ccccc21 97974048 LRPNWDNGGOTWNT-UHFFFAOYSA-N 597.499 3.837 50 10 KHGE COc1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100085543 GLVJHNVXAOGXFR-UHFFFAOYSA-N 538.192 3.979 50 10 KHGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1OC 106107192 XXHWPWUCYRUQSW-DHDCSXOGSA-N 518.595 3.613 50 10 KHGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccc(Br)cc1 1083915605 GWGLKRHQNWCFLK-UHFFFAOYSA-N 516.436 3.938 50 10 KHGE Cc1nc(I)c(I)n1-c1cnccc1CBr 1940090556 SUZYLSWRKLRRIC-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE Cc1c(-n2c(C)nc(I)c2I)ccnc1CBr 2025324335 GKNIIDYWWBFYBW-UHFFFAOYSA-N 517.934 3.988 50 10 KHGE COc1ccccc1N1CCN(C=C(C#N)C(=O)Nc2ccc(I)cc2C)CC1 2325408087 FBADXRJLJVAONA-UHFFFAOYSA-N 502.356 3.776 50 10 KHGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 13981437 NUSKOBOWKGNSFK-VMPITWQZSA-N 503.205 3.870 50 10 KHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041101 BWOYHUIHHPAKMH-UHFFFAOYSA-N 520.611 3.832 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1 14650319 YHEOBPCTKLANGV-UHFFFAOYSA-N 508.438 3.905 50 10 KHGE CCOc1cc(C=NNC(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720277 KUXVWYQMRWIJOK-UHFFFAOYSA-N 639.658 3.626 50 10 KHGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4Br)c(C)c32)cc1 1772749025 PJKPAHSKMPTZSB-UHFFFAOYSA-N 559.442 3.753 50 10 KHGE CN1CC[C@@H]([C@@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2029051867 PIXWHNLGCSXTMF-QWRGUYRKSA-N 509.001 3.524 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2379882425 GOINLAMJGDHJOD-SGANQWHYSA-N 508.330 3.537 50 10 KHGE CN1CCC(CBr)(NC(=O)c2ccc(I)c(Br)c2)CC1 2380729273 AFZZTLGYUNVMAA-UHFFFAOYSA-N 516.015 3.643 50 10 KHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1 10450653 CKOQHQWMZDYASL-MDWZMJQESA-N 503.540 3.504 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCC#N)c(I)c2)cc1 58893956 UBCONQHUEWBJOI-QHSFOXILSA-N 507.328 3.556 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccccc1Br 100076252 MIEAFWNWZGGQCP-UHFFFAOYSA-N 566.069 3.689 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cnn(CC)c1 105152181 YAEZNMVSJBRCKH-OWLNGIFZSA-N 564.457 3.528 50 10 KHGE CC(C)[C@H](CI)NS(=O)(=O)c1cc(Br)ccc1Br 232749708 FXWDULHJRZIBIT-JTQLQIEISA-N 511.017 3.950 50 10 KHGE N#CSc1ccc(NC(=O)CNC(=O)c2cc(-c3ccc(Cl)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 1868133254 ZAOZIWWHCFIUDP-SFHVURJKSA-N 530.031 3.505 50 10 KHGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 14020675 HMKVQGRKRATZBT-UHFFFAOYSA-N 502.390 3.716 50 10 KHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614401 WJNRSBRLRAFSAT-WPWMEQJKSA-N 544.793 3.944 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c1 214422930 AGEKCGGCUKBHQZ-IMRQLAEWSA-N 601.685 3.725 50 10 KHGE CC(C)COc1cccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2cccc(OCC(C)C)c2)C=3C#N)c1 254734090 ASXAEGRPNGQYGQ-MHZLTWQESA-N 526.662 3.931 50 10 KHGE Cc1ccccc1C(=O)/N=c1\[nH]nc(CC(=O)NN=Cc2cccc(OCCOc3ccc([N+](=O)[O-])cc3)c2)s1 254847024 RPBBZZMACOKNPH-UHFFFAOYSA-N 560.592 3.580 50 10 KHGE C[C@H]([C@@H](Br)c1ccc(I)c(Br)c1)S(=O)(=O)N(C)C 2029074536 LBVLRVQWPUVJKA-RDDDGLTNSA-N 511.017 3.770 50 10 KHGE CN1CCC[C@H]([C@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2089530239 FLBCZJGKGASMKS-VXGBXAGGSA-N 523.028 3.914 50 10 KHGE CN(C[C@@H](Br)C1CCCCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2167652700 UROPNQYGKRZIII-NQIIRXRSSA-N 503.434 3.616 50 10 KHGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314618087 HAPUUHZBAYAVDU-UHFFFAOYSA-N 585.686 3.953 50 10 KHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1C 10154216 TXBSWUCVTCABAG-FQEVSTJZSA-N 507.612 3.864 50 10 KHGE CCOc1ccc(/C(CCC(=O)O)=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 34715553 BYWJPEYSRUPTKB-QYQHSDTDSA-N 525.583 3.894 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OC)c([N+](=O)[O-])c2)cc1 100237506 RYANDYQNSHCWPV-AIRTYWKNSA-N 527.315 3.571 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599585 MOSNSVPAXBFHBJ-NLRVBDNBSA-N 509.360 3.896 50 10 KHGE COc1cc(/C=N\NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)cc(I)c1O 105519718 PGKNQBWYPMQJNS-DMJFWKBZSA-N 628.460 3.701 50 10 KHGE COc1cc(C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)c([N+](=O)[O-])c(OC)c1OC 252642957 ZRVXLLAKJOWECH-UHFFFAOYSA-N 524.917 3.955 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2c(O)ccc3ccccc23)cc1OC 1084093644 QKEHBNDQZLDVRU-UHFFFAOYSA-N 547.633 3.946 50 10 KHGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 1084298226 CEGBLVRPQFHQJI-HSZRJFAPSA-N 574.659 3.877 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744421 XBECHKCKEWOXBZ-UHFFFAOYSA-N 554.357 3.804 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859005381 CBNRJGKYVWBTIX-UHFFFAOYSA-N 503.920 3.698 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 1866622795 MJTOXMNWLNZLLY-RUZDIDTESA-N 550.662 3.875 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2285023079 CQWGUKZPBXFENT-AVRWGWEMSA-N 520.460 3.901 50 10 KHGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNS(=O)(=O)c2ccccc2)cc1 254701196 MQEZYEOPQBMZDT-UHFFFAOYSA-N 501.564 3.796 50 10 KHGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3cccnc3)[C@H]2C)c(Br)c2c1OCO2 254833533 IIQOOMLFUZZTAQ-PSLIRLAXSA-N 540.168 3.558 50 10 KHGE COc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1OC 256019633 WKJXWRMZWWQZKJ-CEXWTWQISA-N 500.374 3.549 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084038342 WYGBVPRQUZWDQV-UHFFFAOYSA-N 530.400 3.581 50 10 KHGE O=C(NCc1nnc(CBr)s1)c1ccc(I)c(Br)c1 1877572517 YIMDHOLTLYMLCP-UHFFFAOYSA-N 516.984 3.730 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CCO[C@H](CCBr)C1 2116237770 HRIXWRVXTBFPLD-SNVBAGLBSA-N 502.972 3.680 50 10 KHGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C(C)=C(C#N)C1=O 2314619849 GGGLQGFAXWGGQG-UHFFFAOYSA-N 525.521 3.993 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccccc1I 100079758 BNXNRPWZAZPEEG-VIFPVBQESA-N 538.194 3.701 50 10 KHGE NC(=O)COc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103738031 XLAXGHFAJDTCSB-RHZRYSSHSA-N 539.248 3.740 50 10 KHGE CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 103883713 MXCPWPWXHSRBKT-CPNJWEJPSA-N 528.403 3.655 50 10 KHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2cc(I)ccc2Br)C1 388657598 AWAXMBCPIMCLMZ-NXEZZACHSA-N 502.972 3.678 50 10 KHGE Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3ccc(/N=C/N(C)C)nc3=O)C[C@@H]2O[Si](C)(C)C(C)(C)C)cc1 575417578 ZUJSQQXFSLCHQA-XWEUUOHJSA-N 550.754 3.857 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1cccc([N+](=O)[O-])c1)c1ccccc1 1083918702 BRKACGCGVGZUJZ-UHFFFAOYSA-N 547.387 3.712 50 10 KHGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4)c(C)c32)cc1 1772747448 BUZAOZWQQILQHL-UHFFFAOYSA-N 514.991 3.644 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201783251 GZILLORDEBUCEN-QMTHXVAHSA-N 514.983 3.822 50 10 KHGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285033142 ZWVNJKPCXMJPPG-XMMPIXPASA-N 520.460 3.648 50 10 KHGE CC(C)[C@@H](Br)C(C)(C)CN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2365906537 DAIGXYRJDKNHGG-UTKZUKDTSA-N 505.450 3.718 50 10 KHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 14037153 BOZVRAIEEWNCLT-UHFFFAOYSA-N 500.802 3.606 50 10 KHGE C[C@@H](NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)C(C)(C)CCl)CC2)C1=O)c1ccccc1 16612927 VFPRLDAKDHLBPR-OAQYLSRUSA-N 511.066 3.796 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)c(Br)c1 100088064 BGUSOXICUALXJG-UHFFFAOYSA-N 529.254 3.797 50 10 KHGE O=C(NN=CC=NNC(=O)C1=NNC(c2ccccc2)(c2ccccc2)C1)C1=NNC(c2ccccc2)(c2ccccc2)C1 252616934 KIYNTUMSOASJDO-UHFFFAOYSA-N 582.668 3.777 50 10 KHGE CSCCOC(=O)COc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 254758396 GHYOYMMHLFXMSA-UHFFFAOYSA-N 555.678 3.702 50 10 KHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2ccc(I)c(Br)c2)C1 2109017936 MVQAJPUGRYKTDN-VHSXEESVSA-N 502.972 3.678 50 10 KHGE COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3C=C(C#N)C(=O)NC3CCCCC3)CC2)cc1 2296732284 QKYAZBKYMLRQFH-UHFFFAOYSA-N 526.641 3.694 50 10 KHGE Cc1cccc(C(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)c1 12572708 KLYBUAHZGQVTJX-UHFFFAOYSA-N 515.227 3.543 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 14662988 AHHSNHPBFKRWJQ-UHFFFAOYSA-N 516.417 3.506 50 10 KHGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)cc1 100081444 UKAUUXTVJGPUTQ-UHFFFAOYSA-N 572.279 3.583 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)c(Br)c1 100161637 QWUYCPQZAZRGBF-UHFFFAOYSA-N 558.454 3.930 50 10 KHGE COc1cc(/C=N/NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(Br)cc1 100328430 ISYPFXRTUDHITA-WYMPLXKRSA-N 541.240 3.582 50 10 KHGE NNC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 100562353 NTUIUTBKQRWXKR-AZGAKELHSA-N 580.483 3.858 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3ccc4ccccc4n3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 263621986 XFMJRLJCUHDBBO-GWDHMMPNSA-N 573.690 3.663 50 10 KHGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccccc3Br)cc2)cc1 725395521 ZNPRAIDHEJETJF-UHFFFAOYSA-N 525.359 3.564 50 10 KHGE O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCOCCOCCOCCNC(=O)CCSSCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21 888087393 ZJVGOGQIAYMKAS-MFBALYCYSA-N 869.145 3.609 50 10 KHGE COC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084237754 WJCKSYGGHPWGRX-UHFFFAOYSA-N 530.002 3.546 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1c[nH]c2ccccc12 1057943 LZZFOJKZSLTSDG-JVWAILMASA-N 528.656 3.860 50 10 KHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 100076911 VEHIQSMLNRJKNP-UHFFFAOYSA-N 558.401 3.801 50 10 KHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100234942 BONZXSLGDLQVBD-UHFFFAOYSA-N 546.443 3.732 50 10 KHGE O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)c1cccc(C(=O)N/N=C2/C(=O)N(CN3CCCCC3)c3ccccc32)c1 150344454 WBWGKHRKOGVMDN-JJTCPOHDSA-N 646.752 3.535 50 10 KHGE CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 198738706 AQWFTTRGYMZGBD-RWPZCVJISA-N 524.371 3.947 50 10 KHGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)ccc1OCc1ccccc1F 254343431 PIDVMDUSNSTOJQ-UHFFFAOYSA-N 542.531 3.780 50 10 KHGE O=[N+]([O-])c1ccc(-n2cnc(I)c2I)c(CBr)c1 306056175 RATRWKDZOMKIMO-UHFFFAOYSA-N 533.889 3.885 50 10 KHGE C[C@H](Oc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1)C(=O)O 1084042869 FDBZUGYJOQVWCF-NSHDSACASA-N 500.143 3.593 50 10 KHGE COCc1cc(C)nc(OCC(=O)NN=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1C#N 1084074348 KDGFDSWWYIRSIZ-UHFFFAOYSA-N 520.458 3.546 50 10 KHGE O=C(NC[C@@]1(CBr)CCCO1)c1cc(I)ccc1Br 1879604477 JJJPXYWENMSLKO-ZDUSSCGKSA-N 502.972 3.728 50 10 KHGE CN1CCC[C@@H]([C@@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2089535184 KCHDNGRJSSNOSS-RYUDHWBXSA-N 523.028 3.914 50 10 KHGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)c1ccccc1I 2293894427 UZMYYYPJWGQGRR-UHFFFAOYSA-N 501.349 3.793 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2OCC[C@]2(CBr)C1 2296377172 DYJSZGFTJROUHQ-JSGCOSHPSA-N 514.983 3.680 50 10 KHGE COC(=O)COc1cc(Br)c(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 2313556699 IRAIYHXXLQKHBV-UHFFFAOYSA-N 512.360 3.757 50 10 KHGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 2313624839 KRNFPXYPUMLMLI-UHFFFAOYSA-N 557.264 3.643 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)c(Br)c1 14034437 BFPPWXXTOPBXSA-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100080152 AVTJFSOIJUFQQW-VIFPVBQESA-N 521.220 3.868 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(I)c2)cc1 100235235 OKKKOGCKHIYJDM-YFPMVAJYSA-N 605.223 3.880 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)CCC(=O)Nc2ccc(OCC)cc2)cc1 150418374 RPVMYVIDRRQVQB-UHFFFAOYSA-N 654.765 3.647 50 10 KHGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccc(CN4CCOCC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253624529 MMHLVMZAJQWPKO-HNVHOTQWSA-N 572.699 3.666 50 10 KHGE O=C(Cl)c1cc(I)c(I)cc1I 575714964 NPUOBRRXTSZPNZ-UHFFFAOYSA-N 518.257 3.879 50 10 KHGE CCOC(=O)COc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1OC 1083952837 SLAOEJBFPRWCEU-UHFFFAOYSA-N 522.295 3.752 50 10 KHGE O=C(NCCOCCCI)c1ccc(I)c(Br)c1 2042198519 PMYTWEXOUDKBGP-UHFFFAOYSA-N 537.961 3.625 50 10 KHGE CCOC(=O)Cc1c(CBr)ccc(I)c1I 2055240593 YRQQRYYKPKKYIB-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE O=C(Oc1ccc(C=NNC(=O)[C@@H]2COc3ccccc3O2)cc1)c1ccccc1I 2296647813 CFBLQMCLZBJRLG-NRFANRHFSA-N 528.302 3.801 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642595 UNUCCJSFGMVRKV-NCRYHCEPSA-N 602.084 3.677 50 10 KHGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(C(F)(F)F)c(B(O)O)c1 2370117318 MCHZDJFVVBKLIU-UHFFFAOYSA-N 512.293 3.643 50 10 KHGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OC)c1 951129 FJJOXWDOJDAHGD-QFXXMJIKSA-N 510.502 3.588 50 10 KHGE C[C@@H](Oc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1)C(=O)O 59247809 FDBZUGYJOQVWCF-CPOBKIPGSA-N 500.143 3.593 50 10 KHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC(OCCBr)CC1 129775434 BJVFOFPUMUYFER-UHFFFAOYSA-N 506.054 3.776 50 10 KHGE CCOC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2nccs2)cc1)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OC)C(C)C)C(C)C 198224866 CDLBDKFGLPOPNN-ATIZSFMBSA-N 696.871 3.883 50 10 KHGE C/C(=N/NC(=O)c1cccnc1)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(/C(C)=N/NC(=O)c3cccnc3)cc2)cc1 1616120081 LZNDWEDTUUSYAC-MKZDZAJISA-N 594.628 3.941 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748455 QJJOXRXGUQUGQJ-UHFFFAOYSA-N 527.896 3.834 50 10 KHGE COc1ccc(CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858667737 SJQDKYAKERBGAP-UHFFFAOYSA-N 510.597 3.638 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1(F)CCC(CBr)CC1 2178585287 JFELDGCRQHNARL-UHFFFAOYSA-N 503.434 3.666 50 10 KHGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100053996 LQLOQXQQGYFLEW-UHFFFAOYSA-N 537.002 3.823 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(I)c1 100194891 PIKLOAGHWQIPEE-UHFFFAOYSA-N 519.133 3.536 50 10 KHGE COC(=O)c1cc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc(C(=O)OC)c1 101464256 KBTWSMFMFIXYJC-UHFFFAOYSA-N 565.326 3.531 50 10 KHGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cc(Br)c(N2CCOCC2)o1 103876323 FGEXGVWZXSKPKZ-ZVBGSRNCSA-N 566.044 3.933 50 10 KHGE C=CCn1nc(C)c(C=NNC(=O)CSc2nnc(CNc3ccc(I)cc3)n2CC=C)c1C 1084275481 QXRVGGOUJIBCHQ-UHFFFAOYSA-N 590.495 3.923 50 10 KHGE C[C@@H](C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771951 NACKSXZNVZAWEY-NEPJUHHUSA-N 509.415 3.677 50 10 KHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)[C@H](Cc4ccccc4)c4ccccc4)c(=O)c23)C1 1865851901 JRGMWGYHCQBBEZ-PGRDOPGGSA-N 500.624 3.757 50 10 KHGE COCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2338888158 ZQPZTIIEXZPTEI-YNEHKIRRSA-N 505.972 4.000 50 10 KHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)c(Br)c1 12571163 YOXGLVGDGAPLSA-UHFFFAOYSA-N 515.227 3.543 50 10 KHGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623246 CSDJIEPKYMJCGS-SFHVURJKSA-N 502.409 3.684 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2cc3ccccc3cc2O)c(Br)c1 13978565 DPLOFXQAEDWHSX-UHFFFAOYSA-N 502.390 3.585 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1I 100079804 QAFNLQMPFZOCLY-VIFPVBQESA-N 568.220 3.710 50 10 KHGE O=C(CCCCCCCC(=O)NNC(=O)Cc1ccc(Cl)cc1)NNC(=O)Cc1ccc(Cl)cc1 100116355 UBPFGKXNGHRDAY-UHFFFAOYSA-N 521.445 3.804 50 10 KHGE COCc1cc(C)n(CC(=O)NN=Cc2cc(OC)c(OCc3ccccc3F)cc2Br)c(=O)c1C#N 254288204 BDEVCDRUKZEQRK-UHFFFAOYSA-N 571.403 3.814 50 10 KHGE C[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H](CBr)O1 721505524 BNBKRWIROKMATE-WCBMZHEXSA-N 502.972 3.678 50 10 KHGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686908 DUQKEUQFORQJNS-HHHXNRCGSA-N 547.631 3.961 50 10 KHGE O=C(N[C@H](CCS(=O)(=O)CC1CC(Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1991497646 RNSYCHFSMBBQBW-WTOQYCPUSA-N 536.444 3.957 50 10 KHGE O=C(NNC(=S)NC(=O)c1ccccc1I)c1ccc(-c2ccccc2)cc1 12501525 XMMLKBALKHHNCQ-UHFFFAOYSA-N 501.349 3.908 50 10 KHGE CCOC(=O)COc1ccc(Br)cc1/C=N\NC(=O)CC[C@H](O)c1ccc(OCC)cc1 58895613 MFZFLZHGJXEUJO-FQOPDIHJSA-N 507.381 3.754 50 10 KHGE COc1ccc(CCNc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1OC 101451580 HNJQSCYVJMDEIT-UHFFFAOYSA-N 537.360 3.886 50 10 KHGE CCOc1ccc(N2C(=O)/C(=C/NNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)c3ccccc3C2=O)cc1 103004603 FXVXAHATOITNHK-NHFJDJAPSA-N 574.659 3.722 50 10 KHGE COc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc(OC)c1OC 103920688 AZFOSKNEQDRWCT-XQNSMLJCSA-N 504.518 3.811 50 10 KHGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OCC 207197799 TVCINQFDPZMLOJ-HZMJSRCSSA-N 506.555 3.877 50 10 KHGE C[C@@H](Cl)c1nc(N)nc(Nc2cc(I)cc(I)c2)n1 690422627 ZQXQLGJJHOAOPS-RXMQYKEDSA-N 501.497 3.706 50 10 KHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 721510811 PRCJHKAGLNVRDU-SCZZXKLOSA-N 502.972 3.678 50 10 KHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)c(=O)c23)C1 1860769963 NPYICTCPJHNMBU-NWDGAFQWSA-N 509.415 3.505 50 10 KHGE Cc1c(B(O)O)cc(CC(=O)OC(C)(C)C)cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887520137 BDKVVTNSEPWXRK-UHFFFAOYSA-N 501.388 3.944 50 10 KHGE CC1(C)OC[C@@H](NC(=O)c2cc(Br)ccc2I)[C@@H]1Br 1911025232 GHRBXSMKWAPFJZ-MNOVXSKESA-N 502.972 3.724 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CCOC[C@H](CBr)C1 2142281569 RPYJCEVGUJWIFG-SECBINFHSA-N 502.972 3.537 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 2343827947 PTRANOSUJNZLHA-JOCHJYFZSA-N 526.851 3.651 50 10 KHGE COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3CCc4cc(OC)c(OC)cc4[C@H]3C)c3ccccc32)cc1OC 2241841 DRPJTOLYAXCSIK-ZVVRQCRCSA-N 574.634 3.544 50 10 KHGE CC(=O)Nc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1 3232402 HRSDBVNAXOTFJP-UHFFFAOYSA-N 515.389 3.972 50 10 KHGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 40925833 PANIIVMZJDDXGU-CAOOACKPSA-N 506.427 3.937 50 10 KHGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 100087236 PKMGGBWRXHLXLI-UHFFFAOYSA-N 548.246 3.576 50 10 KHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C(=O)OCCOC)c1C 1866130496 YHMSHLIRACAALQ-LFIBNONCSA-N 502.545 3.599 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2268646826 VLVSJOPUSORBAV-LMKMVOKYSA-N 506.795 3.912 50 10 KHGE BrC[C@@H]1CO[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]12 2349833489 FUIQWYXBCOEZAR-JTNHKYCSSA-N 501.000 3.895 50 10 KHGE COc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 33591975 AQROOAWJIYLMKT-WCIBSUBMSA-N 509.628 3.873 50 10 KHGE Cc1nc2ccc(Br)cn2c1C(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 1083923382 NHGVQIGSQMRHKR-UHFFFAOYSA-N 520.387 3.864 50 10 KHGE O=C(NN=Cc1cccc(Br)c1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084640382 XFTZEINURXCGEB-UHFFFAOYSA-N 529.254 3.763 50 10 KHGE Cc1nc(I)c(I)n1-c1nc2sccn2c1CCl 2028591631 VCLMRPLWLJWALT-UHFFFAOYSA-N 504.522 3.838 50 10 KHGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2cc(Br)ccc2I)C1 2121338879 WCRYVJQTHJCOGY-OKAXRFMISA-N 520.927 3.922 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1 2349642798 RBKVVVKUTOTNBZ-JOCHJYFZSA-N 507.719 3.973 50 10 KHGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1I 100175984 PZEKXZLOMXDDAS-GFCCVEGCSA-N 547.187 3.908 50 10 KHGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101493307 XAVQLIGXUKFMOF-UHFFFAOYSA-N 562.930 3.979 50 10 KHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OCC)cc1 254806292 OPPNNDQKAUFONC-UHFFFAOYSA-N 579.606 3.609 50 10 KHGE CCS[C@@H]1O[C@@](COC(C)=O)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC)[C@@H]1OC(C)=O 575449041 JZSNCODNDCJVAL-HVSNEVFASA-N 632.848 3.853 50 10 KHGE Cc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)O)c1 675031726 YTWQFAZNIYVPEH-KSEXSDGBSA-N 507.977 3.738 50 10 KHGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 1084119114 GYBLXDHCMQIYIN-UHFFFAOYSA-N 501.992 3.698 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 1084497398 JKSRVLNIFCVGCX-UHFFFAOYSA-N 628.751 3.817 50 10 KHGE CC1(C)CC[C@H](Br)[C@@H](CNS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2164512012 FINUZFYOMXFCIZ-FNXXIHLHSA-N 503.434 3.520 50 10 KHGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1C 10154246 FEDGMLVIXZPQNR-HXUWFJFHSA-N 507.612 3.864 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] 40610870 PPUMBRWIFXIABU-UHFFFAOYSA-N 518.361 3.540 50 10 KHGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccccc3)cc2OC)cc1 254711384 NNHIGRDJSCKDCU-UHFFFAOYSA-N 539.610 3.522 50 10 KHGE COc1cc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])cc1O 1084383092 FKMOQEOIDHPVNS-UHFFFAOYSA-N 532.582 3.917 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)CCc2ccccc2)Cc2ccccc2)cc1 1084494927 JUUKZENNHFLWKH-UHFFFAOYSA-N 506.628 3.961 50 10 KHGE CSCc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858961416 XKMAAIZLIIQPDS-UHFFFAOYSA-N 515.569 3.865 50 10 KHGE CCN1CC[C@H]([C@@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2142285285 NSSNCZUHTMXWBE-NEPJUHHUSA-N 523.028 3.914 50 10 KHGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2313620873 YPCRGAWUKQQKBF-DEOSSOPVSA-N 563.057 3.935 50 10 KHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 9821895 NGUMZNDHEOSUHP-UHFFFAOYSA-N 520.611 3.612 50 10 KHGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)c(OC)c1 104769280 YHNFVXRCEBMUMN-AFUMVMLFSA-N 533.452 3.851 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214310394 IWCFRJHDOBHHOP-YUMHPJSZSA-N 578.654 3.977 50 10 KHGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cccc2c(O)cccc12 217069721 WKNGFIMODLPDHB-NXVVXOECSA-N 512.975 3.678 50 10 KHGE CC(C)(C)c1ccc(C(=O)NCC(=O)NN=C2C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 254488942 OGDXKCKPBFNUNI-UHFFFAOYSA-N 512.566 3.510 50 10 KHGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)ccc1OCc1ccccc1F 254865792 NFKYBGCIPNFGCF-UHFFFAOYSA-N 572.557 3.692 50 10 KHGE CC1=C(Br)C(=O)[C@@](C)(Br)[C@@H](Br)C1=NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2053611755 QUVPCCJRVQBBMH-JSGCOSHPSA-N 559.030 3.893 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CCO[C@]2(CBr)C1 2239886042 MQUAKJDATGXYJT-QMTHXVAHSA-N 514.983 3.680 50 10 KHGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)C1 2296849520 HHZDLTCKSHTCGK-FQEVSTJZSA-N 529.597 3.727 50 10 KHGE Cc1nc(I)c(I)n1-c1c(CBr)c(C(F)F)nn1C 2339716151 GRWPXXHFYDSQNQ-UHFFFAOYSA-N 556.918 3.956 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2ccccc2OCCc2ccccc2)cc1I 10508998 LVCBMCMILKREAH-UHFFFAOYSA-N 516.335 3.996 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC(C)C 14668662 SRJVZERKRFBVKO-UHFFFAOYSA-N 514.829 3.913 50 10 KHGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 32522855 XUORZVDLJAYCFF-DHRITJCHSA-N 505.512 3.941 50 10 KHGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100145623 IDUWXNSMCGXUCP-NHCUHLMSSA-N 556.619 3.693 50 10 KHGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214249465 SKZUGSVFJIPJAR-ONUIUJJFSA-N 571.659 3.561 50 10 KHGE CCN(CCOCCBr)C(=O)c1ccc(I)c(Br)c1 721506246 DAXZQCFBYZARFV-UHFFFAOYSA-N 504.988 3.927 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084214668 GYCTUIQQVMAFJN-HNNXBMFYSA-N 551.386 3.924 50 10 KHGE C[Si]1(CCCOC[C@H]2CO2)O[Si@](C)(CCCOC[C@@H]2CO2)O[Si](C)(CCCOC[C@@H]2CO2)O[Si@@](C)(CCCOC[C@@H]2CO2)O1 2042436252 BLZDTVROPKIJLZ-RWSXOFMMSA-N 697.088 3.576 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178083431 RTNXDZZAATWQLT-KDDOJWQBSA-N 514.983 3.536 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 2377097221 CHCRMELOICKHTL-SYJLOODJSA-N 519.730 3.971 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)ccc1Br 12573227 JGYZSFLQZLKONY-UHFFFAOYSA-N 515.227 3.543 50 10 KHGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079318 CPUGLXMVANDHHO-UHFFFAOYSA-N 522.808 3.735 50 10 KHGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101341257 TWUDWXAFWYQBTD-BUVRLJJBSA-N 525.521 3.993 50 10 KHGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1ccccc1Br 101471754 WTOLDTZORMRSQO-UHFFFAOYSA-N 532.786 3.884 50 10 KHGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cc(I)ccc1O 105659028 LROFULRPSADGCW-CNHKJKLMSA-N 514.326 3.757 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc([N+](=O)[O-])ccc3O)n2-c2ccccc2)cc1OC 254546373 SKXLIEDQFIQZAI-UHFFFAOYSA-N 534.554 3.808 50 10 KHGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(C(=O)O)c1OC 254711381 WTBLYHVIPLHTDF-UHFFFAOYSA-N 517.567 3.892 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nnc1-c1ccccc1 1083971270 ZNJMRRJMGYSQNN-UHFFFAOYSA-N 554.268 3.912 50 10 KHGE COC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084625670 SUMBREGAGPKTPP-UHFFFAOYSA-N 560.028 3.554 50 10 KHGE O=C(NC[C@@]1(CBr)CCCO1)c1ccc(I)c(Br)c1 1879588973 MKIMGWGBSUQLPI-ZDUSSCGKSA-N 502.972 3.728 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(C)c(B(O)O)s1 2283963502 ORAOSIBBSQCHEE-GKVSMKOHSA-N 520.460 3.648 50 10 KHGE O=C(C=Cc1cccc(F)c1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 2330209395 XJOANSVMMKPSMS-UHFFFAOYSA-N 517.466 3.680 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(Br)c1 100279633 AZOYZDTYNIGPBB-JXMROGBWSA-N 535.420 3.769 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101340958 DVETWKWLNYNEOT-LPYMAVHISA-N 541.520 3.611 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618912 DHCXAXPJWNMZBV-VUTHCHCSSA-N 526.509 3.590 50 10 KHGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 254843223 GEOUEUVOTRDNKW-UHFFFAOYSA-N 571.586 3.974 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNS(=O)(=O)c1ccccc1)[C@H]2Br 256019383 YGJNMPGDIIPYBC-UVBJJODRSA-N 559.118 3.682 50 10 KHGE Cc1ccc(OCC(=O)O)c(/C=N\NC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cccs2)c1 675029657 DEDZJADKZGUBLB-KSEXSDGBSA-N 507.977 3.738 50 10 KHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Cl 1083916841 FJNDXHOTSDKECP-UHFFFAOYSA-N 516.963 3.744 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084361183 UKNOOHZEVMYDIA-UHFFFAOYSA-N 502.390 3.803 50 10 KHGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)cc1)c1ccccc1 1084410507 APFZKODZUXHGKV-QGZVFWFLSA-N 523.387 3.794 50 10 KHGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 1084515003 JMERJBATQJEOAP-UHFFFAOYSA-N 561.414 3.707 50 10 KHGE COc1ccccc1C(=O)NCC(=O)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2295914169 FCLQUXOJSYKQGL-UHFFFAOYSA-N 526.343 3.550 50 10 KHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 2313890756 XSEDQEXCMRNQGB-UHFFFAOYSA-N 557.264 3.724 50 10 KHGE Cc1cc(C)c(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c(Br)c1 36046899 JBZXXZGBSHLKLS-IFRROFPPSA-N 501.131 3.971 50 10 KHGE C[C@H](Cl)CNC(=O)[C@@H](C)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865891139 OOYWVQGMMCZMQT-CRCLSJGQSA-N 798.322 3.833 50 10 KHGE C[C@@]1(CBr)COCCN(C(=O)c2cc(I)ccc2Br)C1 2199825008 KFPZAFKNQXDJMO-AWEZNQCLSA-N 516.999 3.927 50 10 KHGE CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc(Br)cc1Br 13995321 FHEYNATZRBEKJY-HNNXBMFYSA-N 500.187 3.904 50 10 KHGE O=C(COc1cccc2ccccc12)NNC(=O)C1CCC(C(=O)NNC(=O)COc2cccc3ccccc23)CC1 100103711 AOKCMWOAFWGFJC-UHFFFAOYSA-N 568.630 3.552 50 10 KHGE COc1c(I)cc(I)cc1/C=N/NC(=O)CNc1ccccc1C 100983643 IHXULNLGVBVUJL-ZVBGSRNCSA-N 549.150 3.775 50 10 KHGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc(OC)c1OC 254757073 WNTDJVFODAFTQB-UHFFFAOYSA-N 541.560 3.965 50 10 KHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2cc(I)ccc2Br)C1 1899908091 XAMCKOAMWQOERK-SWZMTVOYSA-N 502.972 3.726 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CC[C@H](OCCBr)C1 2142284379 BIGJZSXDVPRCNQ-JTQLQIEISA-N 502.972 3.680 50 10 KHGE COc1cc(C=C(C#N)C(N)=O)ccc1OC(=O)COc1ccc(Br)cc1Br 2314737440 KSLBANJIWKYRMJ-UHFFFAOYSA-N 510.138 3.597 50 10 KHGE COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3ccc(F)cc3)C(C#N)=C(N)N2C1=O 3770048 ZFAAOOFRZYUAIM-FPOVZHCZSA-N 506.559 3.591 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 40814921 BYOZVLLJMNVWSW-YZSQISJMSA-N 510.438 3.771 50 10 KHGE COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c(=O)c1C#N 59639878 IXJVUMQDFTXRTB-KVSWJAHQSA-N 524.419 3.804 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1I 100179237 YHDNZPJCSRAANM-UHFFFAOYSA-N 541.411 3.674 50 10 KHGE O=C(NC1(CBr)CCOCC1)c1cc(I)ccc1Br 230762737 IVZGWZQTIPVATG-UHFFFAOYSA-N 502.972 3.728 50 10 KHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1cc(Br)ccc1I 2097945087 IPHZJDYPXBDJLQ-UWVGGRQHSA-N 502.972 3.726 50 10 KHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016418 AQKQQKKLEZPNOR-UHFFFAOYSA-N 526.659 3.797 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1I 100092245 ZBNYNCKNGMWEDL-UHFFFAOYSA-N 561.401 3.681 50 10 KHGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(N2CCN(C)CC2)cc1 217254117 JCCHFBFPWLKMNE-ICFOKQHNSA-N 501.372 3.810 50 10 KHGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)o2)cc1 1084012813 AKEZCUGWUNRGEV-UHFFFAOYSA-N 548.415 3.802 50 10 KHGE C=C[C@]1(CBr)COCCN1C(=O)c1cc(I)ccc1Br 2199849551 UUJCGWQMZWMMJI-AWEZNQCLSA-N 514.983 3.846 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239896418 SSYZVPVCWMREIH-XPTSAGLGSA-N 514.983 3.680 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2269549521 SZLSVHSELACYMR-VWLOTQADSA-N 506.795 3.912 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2378007686 UKUXCMGRWILLIM-IRBZQWRBSA-N 519.730 3.973 50 10 KHGE CCOc1ccc(N(CC(=O)NN=C(C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccccc2)cc1 254593824 OCNBSUHUCOQGLH-UHFFFAOYSA-N 508.600 3.779 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OC)c(OCn2cccn2)c1 1084082119 YJGBIDHPQWLRMY-FQEVSTJZSA-N 546.657 3.949 50 10 KHGE NC(=O)Cn1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2Br)c(-c2ccccc2)n1 1084182423 QLDJBHVIQGTDNZ-UHFFFAOYSA-N 545.397 3.814 50 10 KHGE CC[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866625349 KQPMUDWNLXQGBG-FQEVSTJZSA-N 507.037 3.990 50 10 KHGE O=C(NCC[C@H]1COC[C@H]1Br)c1ccc(I)c(Br)c1 2111282630 CIJGXAQLFJTQAD-GXSJLCMTSA-N 502.972 3.584 50 10 KHGE O=C(NCC[C@@H]1COC[C@H]1Br)c1ccc(Br)cc1I 2142286810 IGJHIJSOBKGUSA-LDYMZIIASA-N 502.972 3.584 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)CCc3c[nH]c4ccccc34)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642514 KRPFBYNIKWZMKJ-HFCCRXKDSA-N 589.733 3.915 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 14650291 PXJLDLOAKXNHMK-UHFFFAOYSA-N 514.829 3.996 50 10 KHGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 254570486 GPMXDNUUBTWAFM-UHFFFAOYSA-N 518.595 3.962 50 10 KHGE CO[C@]1(CBr)CCN(C(=O)c2cc(I)ccc2Br)C1 401494676 JBTXJMQPZFYVQH-ZDUSSCGKSA-N 502.972 3.680 50 10 KHGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc2ccccc2c1 1084613519 SSSVPZWTBCBQAJ-UHFFFAOYSA-N 559.404 3.814 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1(C(F)(F)F)CCC(Br)CC1 1924730128 GJQSHJFIOAPRCD-UHFFFAOYSA-N 511.360 3.621 50 10 KHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1Br 14660385 VNVPMBNEKXHVMO-UHFFFAOYSA-N 500.802 3.604 50 10 KHGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCC(=O)O 59304262 FRTBSAGANINEMW-LSHDLFTRSA-N 508.268 3.663 50 10 KHGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 101734861 UHXMUKGPGYUYTH-HMMYKYKNSA-N 527.533 3.883 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 205782890 YTOVXSCSWMLLHN-WSFYNJOLSA-N 697.795 3.715 50 10 KHGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)c1 1084320409 ZPUILLAIZYBKOM-UHFFFAOYSA-N 524.577 3.661 50 10 KHGE CSCC[C@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1867078811 ULCSRPKHZVDWRH-QMPJNXRZSA-N 532.713 3.790 50 10 KHGE CCC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867248286 WNFJCVOOFPJQIN-RBUKOAKNSA-N 528.436 3.981 50 10 KHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142285277 NSCIMGRAWSTFEE-NXEZZACHSA-N 502.972 3.678 50 10 KHGE N#C/C(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)=C1/Nc2ccccc2S1 3290465 ZJVQKVMNJBHSJU-KGENOOAVSA-N 554.433 3.693 50 10 KHGE C=CCOc1c(I)cc(I)cc1/C=C(/C#N)c1[nH]nc(N)c1C#N 6014774 JQILPIIKAZJTHM-WMZJFQQLSA-N 543.106 3.702 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1I 14030761 SQGCNQWYWYRIME-UHFFFAOYSA-N 502.308 3.954 50 10 KHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)COc1ccc(Cl)cc1 100078645 IYYSLFWHOALOHZ-UHFFFAOYSA-N 522.808 3.735 50 10 KHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)c1 100080752 OCAXEVYZABBNIF-UHFFFAOYSA-N 586.306 3.648 50 10 KHGE N#C/C(=C/Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc(Br)cc2)cs1 102902161 DNTPDYIYDSKTLL-RAXLEYEMSA-N 504.391 3.906 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104767888 XUIRKJBONMSQLO-AUEPDCJTSA-N 539.361 3.805 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nnc1-c1cccc([N+](=O)[O-])c1 1084091513 ZQMCGQLOVQJYFA-UHFFFAOYSA-N 599.265 3.820 50 10 KHGE CCCCCCCCCCCC(=O)O[C@H]1[C@H]([S@](C)=O)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434893 CIBVDGZXDAXGHD-MLZRIBASSA-N 623.297 3.877 50 10 KHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccc(Br)cc3)nc12 2296720862 GZNFPQRHXGLPIV-LJQANCHMSA-N 509.360 3.760 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1 2350100347 WOAXJKGVYMZUTP-ZHRRBRCNSA-N 505.703 3.725 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCN(C)CC2)cc1Br 102619411 VDWMTLMJAXBXAB-RGEXLXHISA-N 506.404 3.991 50 10 KHGE COC(=O)[C@@H]1O[C@@H](Br)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 106038120 KXTNIKNREDJJSO-OYTPZHDJSA-N 583.387 3.956 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC(=O)OC)c(OCC)c2)cc1 1084526522 XAZHWFZKVVDWTH-FQEVSTJZSA-N 537.407 3.762 50 10 KHGE O=C(NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1)OCc1ccccc1 1859008045 ADPGNUAKBUXHKS-UHFFFAOYSA-N 517.491 3.680 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc(OC)c1OC 101368631 SNBBONASLGFMDY-RUZDIDTESA-N 533.493 3.823 50 10 KHGE COc1ccc(/C=C\C(=O)NCC(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C\c2ccco2)cc1 252642551 ZNMVGAGIAADOLF-SCSYMIJQSA-N 552.381 3.949 50 10 KHGE COc1cc(C(=O)NN=c2oc3c(OC)cccc3cc2C(=O)NCc2ccccc2)cc(OC)c1OC 254618987 WBEGNQFTBKNBKR-UHFFFAOYSA-N 517.538 3.643 50 10 KHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@H](Br)C1 2075313791 GKMYTPYARQAMTJ-DTORHVGOSA-N 526.870 3.743 50 10 KHGE BrC[C@@H]1C[C@@H]2OCCN(c3ncc(I)cc3Br)[C@H]2C1 2135046507 MYHIDGLFYCOIJB-UWJYBYFXSA-N 501.988 3.827 50 10 KHGE O=C(NN=Cc1cc(Cc2ccc(O)c(C=NNC(=O)c3ccccc3O)c2)ccc1O)c1ccccc1O 2296647305 PGPFXWCKQKBTOV-UHFFFAOYSA-N 524.533 3.628 50 10 KHGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)=C(C#N)C1=O 2314610976 OSYKUGIICBLNMF-UHFFFAOYSA-N 585.686 3.953 50 10 KHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 14646002 KUGCWFKZEMZFRU-UHFFFAOYSA-N 509.382 3.732 50 10 KHGE C#CCOc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 58893968 NRMMDPGHIMXYKX-ORQKMDSUSA-N 506.340 3.666 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596812 GJEDEFVCUTZAOD-NLRVBDNBSA-N 525.359 3.601 50 10 KHGE CCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)c(Br)c1 101832737 FSYCQUJTMMVVNN-XDHOZWIPSA-N 529.387 3.770 50 10 KHGE COc1cc(C=NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 254505427 CPLDAHFEOXQSAP-FGZHOGPDSA-N 556.619 3.778 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282011861 OBCNRKBDMNLLSZ-UHFFFAOYSA-N 517.910 3.670 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1cc2ccccc2cc1O 100080668 YBGVMEFGRNJVMS-UHFFFAOYSA-N 553.232 3.785 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1Br 100184594 NCUFBCUPLIDWHU-UHFFFAOYSA-N 562.227 3.792 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 100193752 SKPVMBZAQQVSRE-UHFFFAOYSA-N 545.253 3.715 50 10 KHGE CCOC(=O)c1c(C)sc(NC(=O)c2cc(S(=O)(=O)N(C)CCCl)ccc2OC)c1C(=O)OCC 100918930 HSPYRYPOVUGPEE-UHFFFAOYSA-N 547.051 3.530 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1 150386776 DLEHDDWNFCVOJO-UHFFFAOYSA-N 648.308 3.508 50 10 KHGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OCC 207197754 TVCINQFDPZMLOJ-RFKFONHCSA-N 506.555 3.877 50 10 KHGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H](CBr)O1 235367068 IEFGYBHDFKUBIM-PSASIEDQSA-N 502.972 3.678 50 10 KHGE O=C(Cc1ccc(Cl)cc1)NN=Cc1cc(I)cc(I)c1O 1084213499 XOEGCFNFURRKLW-UHFFFAOYSA-N 540.526 3.948 50 10 KHGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084386225 IKHSGMVQGGCFIF-UHFFFAOYSA-N 512.563 3.528 50 10 KHGE CC(C)N(CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)S(=O)(=O)c1ccc(F)cc1 1867233602 UQTMSJUMEQUEGR-VWLOTQADSA-N 570.668 3.870 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cccc(Br)c3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642449 GDAPGKILSITURB-GXXKAFGISA-N 601.538 3.878 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1F 2381160354 AEBSCWIUZFBNFD-DXPJPUQTSA-N 504.367 3.706 50 10 KHGE CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)[C@H](C)Cl)CC1)S(=O)(=O)c1ccccc1 34910162 LARXUQXSXGAUAP-NRFANRHFSA-N 520.095 3.734 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1I 150388118 RZYBEWXPIXEFDW-UHFFFAOYSA-N 627.096 3.839 50 10 KHGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2OC)cc1 254699950 TZZHANATZLPSQG-UHFFFAOYSA-N 602.644 3.655 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3Br)cc2)cc1OC 1772720265 KGEAQEVNILLREU-UHFFFAOYSA-N 540.370 3.566 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2c(F)cccc2Cl)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858956686 MMGBWXANHCINEZ-UHFFFAOYSA-N 525.873 3.934 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1 1866809316 MSQPBUHOPDFWSV-VWLOTQADSA-N 536.635 3.878 50 10 KHGE CCCCCCOc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962053 PCZWUTNYFXFJMN-FCHUYYIVSA-N 507.635 3.776 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189065914 IAAUEPUULGJJNI-WOFXILAISA-N 514.983 3.536 50 10 KHGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 101333049 OSYKUGIICBLNMF-ZXVVBBHZSA-N 585.686 3.953 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cccc(Br)c3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920612 GDAPGKILSITURB-HDSDGMRHSA-N 601.538 3.878 50 10 KHGE biogenic COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(Br)cc1 1084167012 ISYPFXRTUDHITA-UHFFFAOYSA-N 541.240 3.582 50 10 KHGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084355611 GJESJZVUJFOOBE-UHFFFAOYSA-N 541.626 3.765 50 10 KHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCCc1ccccc1 1084632493 JSZSXOOAQKEUHP-UHFFFAOYSA-N 512.488 3.532 50 10 KHGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 1866214183 WDDRKKFICXKTEL-RYOBIWAXSA-N 542.588 3.980 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@H](OCCBr)C1 2109124541 YIALPSWTCNJYNI-JTQLQIEISA-N 502.972 3.680 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2285026423 OIEXEIOSSXXETN-HSZRJFAPSA-N 508.330 3.537 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Br 2296728667 ATSAUMXDCJFPLH-LJQANCHMSA-N 541.427 3.521 50 10 KHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 9826209 POBZLXZGAJUFCH-UHFFFAOYSA-N 520.611 3.612 50 10 KHGE O=C(CCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br)NCc1ccccc1 14642186 RLDOERVWEOLEQC-UHFFFAOYSA-N 510.388 3.739 50 10 KHGE C=CCOc1ccccc1C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c1ccccc1OCC=C 100138213 RHTLGKYTIGXKDS-UHFFFAOYSA-N 536.629 3.769 50 10 KHGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCn3ccnc3)c2)C[C@H](C)O1 101013879 XURPPIWKVWFAJA-NRYSQFAASA-N 599.717 3.647 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-] 101494451 IHOYQMROKPVBLZ-UHFFFAOYSA-N 536.351 3.679 50 10 KHGE O=C(N/N=C/c1c(O)cc(O)cc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103738053 LKJDCWMEEAFLBF-YHWPHTBVSA-N 514.194 3.992 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(O)c(OC)c3)nc3ccccc3c2=O)cc1 254698204 AJXKFCPJCCXOEL-UHFFFAOYSA-N 504.568 3.741 50 10 KHGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)cc3[N+](=O)[O-])cc2)cc(OC)c1OC 263631013 VHHXLKQEJQNUFW-UHFFFAOYSA-N 523.498 3.677 50 10 KHGE C#CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 725432549 YZOZJTJCLQNADH-SFHVURJKSA-N 588.183 3.872 50 10 KHGE N#CCOc1ccc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1083863557 UMHSFUHNJSTMGP-UHFFFAOYSA-N 516.501 3.953 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084488648 YKTXKHGYKGLKKF-UHFFFAOYSA-N 537.638 3.652 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)Cc2ccc(N3CCOCC3)cc2)cc1 1866907103 ICOKUTSKYXCVGZ-AREMUKBSSA-N 516.623 3.711 50 10 KHGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2268678638 JINFOHDLHSRQCN-GKVSMKOHSA-N 506.433 3.511 50 10 KHGE CC[C@H](C)[C@H](CI)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821370 FGVFMADRRQJUEM-YJBOKZPZSA-N 520.433 3.612 50 10 KHGE O=C(Oc1cccc(/C=N/NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c1)c1cccc(Br)c1 36046921 WUOYZBKFVWBCHY-AQWIBLTGSA-N 506.356 3.648 50 10 KHGE C=CCOc1c(Br)cc(Br)cc1C=NNC(=O)Cn1nnc(-c2ccccc2)n1 254766191 JBBFCICOTCLYMV-UHFFFAOYSA-N 520.185 3.580 50 10 KHGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccccc1 1772760258 JXKHXJUQAMNAIY-QGZVFWFLSA-N 517.611 3.716 50 10 KHGE COc1ccc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867223904 AZYDNPHRDDBDSN-HHHXNRCGSA-N 587.702 3.925 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296377171 DYJSZGFTJROUHQ-GXTWGEPZSA-N 514.983 3.680 50 10 KHGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1 14643224 NWLLHRXCFFQKMK-CYBMUJFWSA-N 500.187 3.822 50 10 KHGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 38659812 DZQRQKPCSCMFOW-RUZDIDTESA-N 503.467 3.815 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214327348 OHBDBGOTDAFSOD-UTZZCCADSA-N 571.659 3.561 50 10 KHGE COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)NN=Cc4ccccc4F)[C@@H]3C)c1OC)OCO2 254751035 HHHLHNKIVCNYOV-MGPLVRAMSA-N 508.300 3.548 50 10 KHGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)c1 1084450377 MYHKVVAEQNUAPD-UHFFFAOYSA-N 519.023 3.681 50 10 KHGE CC(C)C1=CC(=NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@](C)(Br)[C@@H](Br)C1=O 2053511079 CYMLLQJWPBLHBV-HOTGVXAUSA-N 508.188 3.807 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178085815 HRKKMEMZNAIMQE-NRUUGDAUSA-N 514.983 3.536 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)cc1Br 100215473 JRHQCFLASCFAQW-UHFFFAOYSA-N 559.280 3.887 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)cc1 1083977575 FWPMKEGZBOCTBV-UHFFFAOYSA-N 590.658 3.719 50 10 KHGE C=CCc1cccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)c1O 1084604243 JBLUUFRLVUCEGU-UHFFFAOYSA-N 515.437 3.878 50 10 KHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)CC1 1772747858 SDIMRWYGAGXQNQ-UHFFFAOYSA-N 529.409 3.603 50 10 KHGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 10295885 ZFWHQVSOZLTYTA-GFCCVEGCSA-N 514.829 3.994 50 10 KHGE O=C(Cc1ccccc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14767149 VRWFPXRGGZMQAS-UHFFFAOYSA-N 512.429 3.949 50 10 KHGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720222 JJPHRFXHZTWWNN-UHFFFAOYSA-N 569.998 3.864 50 10 KHGE CN(C[C@@]1(Br)CC1(F)F)S(=O)(=O)c1cc(CBr)oc1Br 2202537878 SBIOHJQHBFHYRF-VIFPVBQESA-N 501.969 3.730 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)c(C)c1 14667329 MCIQOPGZDADVIE-UHFFFAOYSA-N 508.438 3.815 50 10 KHGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1OC 34987949 NNVCPXRKKMLOLI-MBTHVWNTSA-N 524.526 3.721 50 10 KHGE O=C(NC1(CBr)CCOCC1)c1cc(Br)ccc1I 230746501 WEXLHZMZNQMOCT-UHFFFAOYSA-N 502.972 3.728 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749480 NTFCQVCHGNAZFJ-UHFFFAOYSA-N 540.367 3.791 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 1866863548 XLJUEQSZMSXUPW-CYFREDJKSA-N 500.580 3.684 50 10 KHGE COc1ccc(-n2cnc(I)c2I)c(CBr)c1 2214852885 GOLRNIXYBXEKHP-UHFFFAOYSA-N 518.918 3.985 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2283964215 MGVPWSJAKCCMTB-XWXLMPLOSA-N 520.460 3.901 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(B(O)O)cc1C 2283972026 LFCAMDGOYPOZDL-QLXKLKPCSA-N 520.460 3.648 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)ccc1C(C)C 14655747 AYQDDGIKLDYHBT-UHFFFAOYSA-N 508.438 3.994 50 10 KHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813409 CLMZHMYYCKSSNN-NLRVBDNBSA-N 501.971 3.786 50 10 KHGE O=C(CNc1cccc(N2CCCC2=O)c1)N/N=C/c1cc(Br)cc(Br)c1O 59507413 PREZXXDDVPTRHL-AUEPDCJTSA-N 510.186 3.606 50 10 KHGE O=C(NC(=S)NNC(=O)c1ccccc1I)c1ccc(OCCc2ccccc2)cc1 100165346 NLAHSURTWFVWRW-UHFFFAOYSA-N 545.402 3.862 50 10 KHGE CCOc1cc(C=NNC(N)=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(C)cc1 252637437 XTENLSMPGQKYON-UHFFFAOYSA-N 528.201 3.938 50 10 KHGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c2)C[C@@H](C)O1 256024819 CTPXKAKBZPVSMY-JPXLWSGNSA-N 575.691 3.539 50 10 KHGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccc(F)cc3)[C@@H]2C)c(OC)c2c1OCO2 263629804 IVINAXBERJFNBP-MGPLVRAMSA-N 508.300 3.548 50 10 KHGE CC(=NNC(=O)c1cccnc1)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(C)=NNC(=O)c3cccnc3)cc2)cc1 1565504479 LZNDWEDTUUSYAC-ACHIHNKUSA-N 594.628 3.941 50 10 KHGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Br)cc4)c(C)c32)cc1 1772749485 UXOMXLKUYMNXSU-UHFFFAOYSA-N 559.442 3.753 50 10 KHGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NCCCN5CCOCC5)c(C)c43)coc2c1C 1772751683 JORSDYCKHRWQSS-UHFFFAOYSA-N 520.630 3.802 50 10 KHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709834 HXTMAKAILAWGTR-GOSISDBHSA-N 517.395 3.987 50 10 KHGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1cc(I)ccc1Br 2178908102 VAPKOUPUPHZHPC-GXSJLCMTSA-N 516.015 3.593 50 10 KHGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)c(Br)c1 13977673 KVOVNCVMTJTPRE-UHFFFAOYSA-N 500.187 3.688 50 10 KHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100151762 PJAOLOGOJRZSGP-UHFFFAOYSA-N 545.253 3.715 50 10 KHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCOC)c(Br)c1 100201734 WEYVIJWEBYYVEO-OAHLLOKOSA-N 538.464 3.702 50 10 KHGE CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)[C@H](C)Cl)CC1)S(=O)(=O)c1ccccc1 103145821 ACVMXILBFMCZEE-FQEVSTJZSA-N 538.085 3.874 50 10 KHGE C#CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 725432548 YZOZJTJCLQNADH-GOSISDBHSA-N 588.183 3.872 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)c2ccccc2)cc1 1866907855 AVEJQIPGDRAILE-IAPPQJPRSA-N 589.743 3.679 50 10 KHGE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)sc(/C(C)=C/C#N)c1C 1873427158 IQWHIYPMZUOQMJ-KWJIGKFDSA-N 511.600 3.817 50 10 KHGE C[C@@]1(CBr)COCCN(C(=O)c2cc(Br)ccc2I)C1 2199824944 JUBSTDPEWFPTTH-AWEZNQCLSA-N 516.999 3.927 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2CCO[C@]2(CBr)C1 2239915259 HPAVNHNITJXWSO-YMTOWFKASA-N 514.983 3.680 50 10 KHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296727623 RPLCUHORCSFTBG-HXUWFJFHSA-N 511.401 3.512 50 10 KHGE C[C@H](CBr)N1CCN(Cc2ccc(I)c(Br)c2)CC1 2349823253 AEIYUTIKAQOUJX-LLVKDONJSA-N 502.032 3.955 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1F 2381157001 AEBSCWIUZFBNFD-QMTYFTJSSA-N 504.367 3.706 50 10 KHGE CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 4245690 DJHCCTTVDRAMEH-PWOUATNQSA-N 521.050 3.943 50 10 KHGE biogenic,in-vitro COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1OC 13977355 DUBOEPOFGRXFHJ-RIYZIHGNSA-N 518.595 3.613 50 10 KHGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039663 VRHYEHMSGUFUCT-UHFFFAOYSA-N 507.612 3.982 50 10 KHGE O=C(NC(=S)NNC(=O)c1ccccc1Br)c1cccc(OCCOc2ccccc2)c1 14041120 YNBUBSPOSZUYDD-UHFFFAOYSA-N 514.401 3.856 50 10 KHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)c1 14645998 YDSGFGOJHIUFOU-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccccc1I 100177497 HQBSNWPMJWPHJE-VIFPVBQESA-N 523.552 3.936 50 10 KHGE Cc1c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 102685605 DPRVFFLXHZCLHN-MNDPQUGUSA-N 536.523 3.969 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccccc3Cl)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530937 JJHDYZGLZGFCAG-BNZHXIQHSA-N 557.087 3.769 50 10 KHGE biogenic COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)c(O)c3)n2-c2ccccc2)cc1OC 254393241 AQNDSZSOJQDVFI-UHFFFAOYSA-N 505.556 3.605 50 10 KHGE CC1(C)[C@]2(C(=O)NCCCNC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@H]2Br 256018925 AENPEZGPSCAJCD-HYOYZMQQSA-N 588.381 3.927 50 10 KHGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1ccc(Br)cc1I 2207267814 NOBXBBBVOFKXRH-VXGBXAGGSA-N 514.983 3.869 50 10 KHGE C[C@H](CBr)N1CCN(C(=O)c2ccc(Br)cc2I)CC1 2207271468 INAUQOQIWATFOQ-SNVBAGLBSA-N 516.015 3.595 50 10 KHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc2ccccc2c1 12502634 ZRFYODQCEWZGOO-UHFFFAOYSA-N 519.410 3.966 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 13976522 BMWXHMDDTSUYHC-UHFFFAOYSA-N 508.438 3.669 50 10 KHGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 35446811 RGPLZSQSWPJLPY-JDCXBEBJSA-N 504.612 3.928 50 10 KHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)c(C)c1 100081475 HZCKRKPDGQFQMC-UHFFFAOYSA-N 600.333 3.956 50 10 KHGE CC[C@@H](NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc2c(c1)CCCC2 217193879 FKOPRSWVOIKCNN-QKJHWXITSA-N 506.672 3.855 50 10 KHGE COc1ccc(/C=C\C(=O)NCC(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C/c2ccco2)cc1 252642549 ZNMVGAGIAADOLF-HNUMVGLXSA-N 552.381 3.949 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O 252643120 ZSMDOZLTJBGZBM-UHFFFAOYSA-N 593.407 3.537 50 10 KHGE O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 1084505413 SVNLFBHSTVPETJ-UHFFFAOYSA-N 517.361 3.703 50 10 KHGE CN1CC[C@@H]([C@@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2086149479 OJBYYTRGLCCDFP-QWRGUYRKSA-N 509.001 3.524 50 10 KHGE COC[C@](C)(CCBr)NC(=O)c1ccc(I)c(Br)c1 2101798987 GEXANYSBAOEBAT-ZDUSSCGKSA-N 504.988 3.974 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2269559726 XVBLLFMGROXHSF-VWLOTQADSA-N 506.795 3.912 50 10 KHGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 2296846589 ZRSSMMIKKOCXNG-UHFFFAOYSA-N 533.654 3.774 50 10 KHGE CCOc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2946072 OJGYOXONCFCUGO-WSEXGVMBSA-N 527.625 3.589 50 10 KHGE biogenic CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 14664765 TUFOSGPHNRLWHT-UHFFFAOYSA-N 500.802 3.604 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 100201825 KCDXZPWGRPUQLH-UHFFFAOYSA-N 585.480 3.984 50 10 KHGE COC(=O)c1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100281867 ZIORNIZHEPYGKN-UHFFFAOYSA-N 536.176 3.991 50 10 KHGE COc1cc(C=NNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)ccc1O 254884261 PMLFPIQJOXCFEO-UHFFFAOYSA-N 511.644 3.785 50 10 KHGE COc1cccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)c1 1084175213 VQTRCQMXDFQBNP-UHFFFAOYSA-N 503.426 3.843 50 10 KHGE COC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084595526 XPIXJTSZCVFEED-QGZVFWFLSA-N 575.197 3.569 50 10 KHGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709896 JNVFVXOMYMRYGE-HSZRJFAPSA-N 524.493 3.840 50 10 KHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1ccc(I)c(Br)c1 2097938279 MCNVECXOSXQLSI-UWVGGRQHSA-N 502.972 3.726 50 10 KHGE O=S(=O)(N=C1C=CC(=NS(=O)(=O)c2ccccc2)[C@@H](Br)[C@H]1Br)c1ccccc1 2296463508 DMRSNQOTECEXAV-HDICACEKSA-N 546.262 3.743 50 10 KHGE C[C@@H]1C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@H](C)CN1C(=O)OC(C)(C)C 2349654043 GSYVEXZHLHAVJQ-MCFFVMPBSA-N 507.719 3.971 50 10 KHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C 12570126 ZTWHPTASRFTVIG-AWEZNQCLSA-N 511.431 3.818 50 10 KHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1OC 13977364 XXHWPWUCYRUQSW-OQLLNIDSSA-N 518.595 3.613 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1cccc(Br)c1 100446212 FVOUKDKAODNCCL-UHFFFAOYSA-N 506.976 3.814 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C/NNC(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)c1 103004679 LFWVSYVWLQQYCH-JJIBRWJFSA-N 553.040 3.833 50 10 KHGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC 252614430 JJEYCKMRYDLJDG-UHFFFAOYSA-N 562.000 3.848 50 10 KHGE O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 1084441596 NMLCKHYUQJLPHL-UHFFFAOYSA-N 519.501 3.822 50 10 KHGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(I)cc1 1084549758 AUBGAUWSVHZETL-UHFFFAOYSA-N 609.417 3.937 50 10 KHGE O=C(C[C@H](C(=O)NNc1ccccc1)[C@H](CC(=O)NNc1ccccc1)C(=O)NNc1ccccc1)NNc1ccccc1 1616047119 UVXJTUYNAVRYRW-NSOVKSMOSA-N 594.676 3.572 50 10 KHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1772760535 XUORZVDLJAYCFF-UHFFFAOYSA-N 505.512 3.941 50 10 KHGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1cc(Br)ccc1I 2195494290 MOISHOHDSIJPKF-KOLCDFICSA-N 516.999 3.974 50 10 KHGE Cn1nc(C(F)F)c(CBr)c1-n1cnc(I)c1I 2317449386 FIJPRFWTOLWDSW-UHFFFAOYSA-N 542.891 3.648 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(I)c1 100192007 DHYORVPUIAJFLE-UHFFFAOYSA-N 533.160 3.926 50 10 KHGE CC(CC(=O)Nc1ccccc1Cl)=NNC(=O)[C@H]1C[C@H]1C(=O)NN=C(C)CC(=O)Nc1ccccc1Cl 1084067693 ACQYPPYMXILRRC-CALCHBBNSA-N 545.427 3.971 50 10 KHGE O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)Nc3ccc(N(CCCl)CCCl)cc3)CS[C@H]12 3943904 YPVMPWUFEGUJOE-RCZVLFRGSA-N 607.516 3.500 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100080154 AVTJFSOIJUFQQW-SECBINFHSA-N 521.220 3.868 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(=O)OCCC)cc1 100189230 UYLXCKYQIXLARU-UHFFFAOYSA-N 566.474 3.909 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084378481 LWDWVSBKAZTOTM-UHFFFAOYSA-N 528.612 3.979 50 10 KHGE CN1CC[C@@H]([C@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2029060516 NECGEEBMONMPDM-WDEREUQCSA-N 509.001 3.524 50 10 KHGE Brc1cc(CN2CCN3C[C@H](Br)C[C@@H]3C2)ccc1I 2349848543 UKIRVLHPUOSTKV-VXGBXAGGSA-N 500.016 3.707 50 10 KHGE CCOC(=O)COc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 100219300 MPJHNIXUWAIKAR-LPANUZLBSA-N 554.381 3.596 50 10 KHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1 101614370 HVFFRGVXGKPSDW-OVVQPSECSA-N 524.375 3.599 50 10 KHGE CC(C)OC(=O)C1=c2sc(=Cc3ccc(Br)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(Br)cc1 252673008 QQIHMMHEUAOSEM-FQEVSTJZSA-N 601.320 3.814 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)cc1OC 254499742 NODBBTLGYVVBJG-UHFFFAOYSA-N 519.579 3.908 50 10 KHGE O=C(COc1ccc(OCC(=O)NN=Cc2c[nH]c3ccccc23)cc1)NN=Cc1c[nH]c2ccccc12 254815963 HODYZOBCKPWUBV-UHFFFAOYSA-N 508.538 3.707 50 10 KHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2ccc(I)c(Br)c2)C1 721510381 MZWUGXJCQFDJMH-NXEZZACHSA-N 502.972 3.678 50 10 KHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cc(OC)ccc1OC 1083900034 DLNHNBCIFHTGTQ-UHFFFAOYSA-N 501.012 3.989 50 10 KHGE CN1C(=O)[C@H](NC(=O)N[C@@H]2CC[C@H](C(=O)O[Si](C)(C)C)C2)N=C(c2ccccc2F)c2ccccc21 1887622013 XTPBDXRYUTWWJD-MFEFFIJZSA-N 510.642 3.812 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CC(OCCCBr)C1 2141949628 MOOOPUOPCJJMGJ-UHFFFAOYSA-N 502.972 3.680 50 10 KHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC1CCCCC1 2164513861 MAVUZERRNFCVHT-IERDGZPVSA-N 503.434 3.664 50 10 KHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)cc1 2313892330 YPPOLMBNSPVVRW-UHFFFAOYSA-N 506.422 3.524 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc(C)c1Cl 14016291 SZLGJEAJLQZWJF-UHFFFAOYSA-N 520.051 3.704 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccc(Cl)cc1 100077072 KLXVBHDOSBDHTG-UHFFFAOYSA-N 521.618 3.580 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)cc1 100081586 AXNVBSKDGLYBNK-UHFFFAOYSA-N 559.280 3.562 50 10 KHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1OC(C)=O 254291830 PFASBFBARMZFHP-UHFFFAOYSA-N 502.552 3.562 50 10 KHGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCc3ccccc32)ccc1OCc1ccccc1C 254550567 RVYCKGHPBUNKKP-UHFFFAOYSA-N 593.648 3.845 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cc2c(cc1Br)OCO2 725422661 UMRQVFJKJINXBG-UHFFFAOYSA-N 544.427 3.562 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(O)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083938411 IOYVERJEKZFSRW-UHFFFAOYSA-N 517.991 3.799 50 10 KHGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCNC(=O)c3ccccc3Br)cc2)cc(OC)c1OC 1772720031 DCBGLHSQRCHTBN-UHFFFAOYSA-N 584.423 3.964 50 10 KHGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc1 2295482968 KEOARYLTOGQRBC-UHFFFAOYSA-N 507.934 3.941 50 10 KHGE COC[C@@]1(CBr)C=CCN1C(=O)c1ccc(Br)cc1I 2379838711 NPAMUQJYLHZJQA-AWEZNQCLSA-N 514.983 3.846 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1 100087998 XAXRNCMOFJWGQJ-UHFFFAOYSA-N 535.247 3.798 50 10 KHGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 215667310 UZEOVNLCUPRZCB-XCDVWXBFSA-N 586.682 3.591 50 10 KHGE biogenic Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccccc3Br)cc2)cc1 1084013858 AJCVHFNRZIYALR-UHFFFAOYSA-N 509.360 3.864 50 10 KHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 1084588498 GWOOFMJPSLRNRY-UHFFFAOYSA-N 547.048 3.647 50 10 KHGE O=S(=O)(CCCl)Nc1cc(Br)c(I)c(Br)c1 1938597345 ZGXOZKGAPSGJHA-UHFFFAOYSA-N 503.381 3.797 50 10 KHGE O=C(NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=CC1=S=CC=C1)NC(=O)c1ccccc1 2296472970 BNRZPOVYXJUGQD-UHFFFAOYSA-N 540.557 3.856 50 10 KHGE O=C(CCCC(=O)NNC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1Cl 100049297 HGPHQPXAHBFEOF-UHFFFAOYSA-N 506.173 3.693 50 10 KHGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1C 100055608 HXCPKNWWDAMVCX-UHFFFAOYSA-N 527.213 3.774 50 10 KHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 100174990 LESVWXAXIZCEPM-UHFFFAOYSA-N 527.371 3.898 50 10 KHGE O=C(COc1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1)NCCOCCOCCCCCCCl 203707494 UGBBKPCNQNCVQI-UHFFFAOYSA-N 505.995 3.943 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1cccc([N+](=O)[O-])c1 1084590176 UJBVIOPKYOGTLH-UHFFFAOYSA-N 545.415 3.741 50 10 KHGE COc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867221488 YFUKHTIHQOWSKP-RUZDIDTESA-N 545.665 3.706 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185295803 DDAYFGAFDYYQCK-TVYUQYBPSA-N 514.983 3.821 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)c(Br)c1 13979171 FDPGNEJEELMIGS-UHFFFAOYSA-N 522.465 3.789 50 10 KHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 38683446 CKSDEIKJDAAJMK-XMMPIXPASA-N 501.451 3.584 50 10 KHGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Br)cc2OC)cc1OC 100869810 WFNSVUXYYAGHGW-IPPBACCNSA-N 570.396 3.574 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 101341504 NEYKEYHHMYEYQU-PCLIKHOPSA-N 528.540 3.850 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610845 QGZWERJQAJRXBJ-ZXVVBBHZSA-N 523.387 3.825 50 10 KHGE C[Si]1(C)O[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1 169793678 SOPXVWFVFREYPL-UHFFFAOYSA-N 544.904 3.983 50 10 KHGE O=C(NN=Cc1cc(I)ccc1O)/C(=C/c1cccs1)NC(=O)c1ccccc1 254757847 CXDIYDGOXXYTLK-CCLOFHELSA-N 517.348 3.980 50 10 KHGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 256018965 CLRNKHCJVLPROR-OAUYIBNBSA-N 573.145 3.990 50 10 KHGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC 725446723 ZSSKJLBWRCZCIY-UHFFFAOYSA-N 515.563 3.506 50 10 KHGE Cc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)ccc1N(C)C 1858961267 PMPWMNTUCFHKHD-UHFFFAOYSA-N 530.534 3.516 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)cc1 1866926088 DSRZMHIXDLHZCT-KNQAVFIVSA-N 517.698 3.831 50 10 KHGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc(OC)c1OC 2297321732 XRKDYZIJAIYICU-UHFFFAOYSA-N 505.449 3.871 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc(OC)c1OC 101368633 SNBBONASLGFMDY-VWLOTQADSA-N 533.493 3.823 50 10 KHGE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 205964174 FBDIZNRTHPBUQZ-LFVJCYFKSA-N 534.544 3.820 50 10 KHGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 229082179 LTKQPOALIUKHTL-LAZQJYNJSA-N 520.611 3.807 50 10 KHGE CCOc1ccc(C(CCC(=O)O)=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 254449058 BYWJPEYSRUPTKB-UHFFFAOYSA-N 525.583 3.894 50 10 KHGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)[C@H](O)C(=O)C(C)=C([C@H](OC(C)=O)C(=O)[C@]21C)C3(C)C 503956927 OWYICONKDDFJMF-ZMWIVZDMSA-N 714.881 3.861 50 10 KHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720822 YYNQRSPSVFQGNT-UHFFFAOYSA-N 608.604 3.899 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(-c3ccncc3)[nH]n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867162923 LAQGEVOXDQVQSQ-DEOSSOPVSA-N 526.578 3.950 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2268646827 VLVSJOPUSORBAV-PUAOIOHZSA-N 506.795 3.912 50 10 KHGE C[C@@H](Cl)COCc1cn(-c2cc(I)cc(I)c2)nn1 2278375763 JZZGURAHDJGNGM-MRVPVSSYSA-N 503.509 3.620 50 10 KHGE COc1ccc(S(=O)(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2OC)cc1 2293700663 ZOVXOWMXFVRYEB-UHFFFAOYSA-N 508.508 3.715 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Br)c(C)c1 41014755 UNPLLMZJCMWHIP-LDADJPATSA-N 515.360 3.516 50 10 KHGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2F)c1C)S(C)(=O)=O 1083939407 KHEUKGDXUFKLBT-UHFFFAOYSA-N 506.987 3.812 50 10 KHGE O=C(c1cccnc1)N1CC[C@@H](I)[C@]2(CCCN2C(=O)OCc2ccccc2)C1 1615152096 SULLWLHCRPHDFY-KNQAVFIVSA-N 505.356 3.903 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2COC[C@]2(CBr)C1 2234578398 FTJBNGNXTNZOSF-OTYXRUKQSA-N 514.983 3.537 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1Cl 14654154 TVHNVVFIBXZMIR-UHFFFAOYSA-N 500.802 3.606 50 10 KHGE O=C(N[C@H]1CCCN(CCBr)C1)c1ccc(I)c(Br)c1 721578362 OLROUHZMLZSNKH-NSHDSACASA-N 516.015 3.643 50 10 KHGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccccc2OCc2cccc(Br)c2)n1 1084182458 JTDNTJNTPMAOJZ-HNNXBMFYSA-N 560.478 3.876 50 10 KHGE C=C(C=O)[C@@H]1CC[C@]2(C)[C@H](C[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@H]([C@](C)(O)C/C=C/C(C)(C)O)CC[C@@]32C)[C@]1(C)CCC(=O)O 2080447376 LLOPBMFQDSMMHQ-LYZSKLGASA-N 650.850 3.762 50 10 KHGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(I)ccc1Br 2178908103 VAPKOUPUPHZHPC-KOLCDFICSA-N 516.015 3.593 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccccc3Cl)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642483 JJHDYZGLZGFCAG-NCRYHCEPSA-N 557.087 3.769 50 10 KHGE COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1OC 33697670 WKJXWRMZWWQZKJ-QRVBRYPASA-N 500.374 3.549 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)N/N=C/[C@]12CC[C@@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 253531006 YEVINKRLYXDIIZ-ZQOGITMNSA-N 601.140 3.842 50 10 KHGE biogenic COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1OC 2313617210 PECALFWWTGUUIW-UHFFFAOYSA-N 544.427 3.734 50 10 KHGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C(C)=C(C#N)C1=O 2314618571 PVPRGBDVOQDJBY-UHFFFAOYSA-N 573.675 3.808 50 10 KHGE COc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(OC)c1OC 96488879 OBTLLXYSPPTQMN-FFSKBECVSA-N 502.571 3.700 50 10 KHGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Br)cc2)cc1OC 100869902 KGEAQEVNILLREU-CCVNUDIWSA-N 540.370 3.566 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101067236 OMEINZHIDIGFLM-NLRVBDNBSA-N 554.357 3.804 50 10 KHGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)c(C)c1 254523746 SSLHWIZJOANCSK-UHFFFAOYSA-N 510.572 3.707 50 10 KHGE CCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)O[C@@H]1[S@](C)=O 575232146 CIBVDGZXDAXGHD-CJWVEHMHSA-N 623.297 3.877 50 10 KHGE in-vitro CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2283967663 ACIPMDQBTXECPV-BZQUYTCOSA-N 508.330 3.537 50 10 KHGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13997519 COQZSMHVBFDXIQ-UHFFFAOYSA-N 512.632 3.605 50 10 KHGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815411 WQALKQQXXHARSS-FEZSWGLMSA-N 514.626 3.639 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC(=O)OC)c(OCC)c2)cc1 100238301 SAHAUCBPEPXMJO-QVISHHADSA-N 584.407 3.604 50 10 KHGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1/C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 103732850 MASHKBNAYUDPLY-HPNDGRJYSA-N 527.306 3.943 50 10 KHGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 104845011 YPCRGAWUKQQKBF-UIUGGZGXSA-N 563.057 3.935 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)c2ccccc2)cc1 1084058447 PECHYNXBDKMQAM-UHFFFAOYSA-N 560.632 3.629 50 10 KHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1cccc2ccccc12 1084068606 SHVXQGJVXLKHNZ-UHFFFAOYSA-N 548.596 3.913 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCC#N)c(OC)c2)cc1 1084226631 DGXMOOIIPUUQIE-IBGZPJMESA-N 537.354 3.565 50 10 KHGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2123200268 FUDJATZLNMYLNH-UHFFFAOYSA-N 511.232 3.791 50 10 KHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 2313890509 NWXTWXYXAUJEFU-UHFFFAOYSA-N 502.596 3.995 50 10 KHGE O=C(C=Cc1ccc(OCc2ccccc2)cc1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 2325888131 PBHISGRDXRNBSY-UHFFFAOYSA-N 514.607 3.777 50 10 KHGE C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14026893 QEABVPPBLXYAMT-SNVBAGLBSA-N 506.578 3.859 50 10 KHGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212697 AUGDRLCHOKPIRF-UHFFFAOYSA-N 558.454 3.794 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1OC 254377652 GPKHISAIDDLGBF-UHFFFAOYSA-N 509.584 3.614 50 10 KHGE O=S(=O)(N=C1C=CC(=NS(=O)(=O)c2ccccc2)[C@H](Br)[C@H]1Br)c1ccccc1 2296463510 DMRSNQOTECEXAV-ROUUACIJSA-N 546.262 3.743 50 10 KHGE C/C(=N\NC(=O)CCCSc1nnc(CCc2ccccc2)n1N)c1ccc(Br)cc1 58990980 QZZKULWJYRSSGL-PCLIKHOPSA-N 501.454 3.952 50 10 KHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)COc1ccc(Br)cc1 100081149 LSGRSNIFMDXBKW-UHFFFAOYSA-N 567.259 3.845 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)c(Br)c1 100086914 WCSUZQLYYYLGBT-UHFFFAOYSA-N 559.280 3.562 50 10 KHGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214247672 YIKKVVRRIQTCRE-IWIPYMOSSA-N 529.622 3.790 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 254515282 ZGNOVXPIAXKTBL-UHFFFAOYSA-N 523.655 3.857 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CCOC[C@H]1CCBr 694883183 XTCARLKFRJNKSO-SNVBAGLBSA-N 502.972 3.680 50 10 KHGE COc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314620849 VWXMTFJFFUDZAN-UHFFFAOYSA-N 522.529 3.585 50 10 KHGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)c(OC)c(OC)c1 38660484 JIXCOBRFGDEDMG-SANMLTNESA-N 518.522 3.924 50 10 KHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccc(Br)o1 100080327 AIYCZXZDGOQFST-UHFFFAOYSA-N 527.194 3.672 50 10 KHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1 100087921 SORACJCPRXREIK-UHFFFAOYSA-N 586.306 3.911 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214419797 DVETWKWLNYNEOT-XKZIYDEJSA-N 541.520 3.611 50 10 KHGE CC(C)(C)[Si](OC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C[C@@H]1O)(c1ccccc1)c1ccccc1 221499121 PCGCWUMQXDGYFX-YIKNKFAXSA-N 569.734 3.721 50 10 KHGE in-vitro Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)NCc3cccnc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084156934 OCZPOOPUKDCMCK-UHFFFAOYSA-N 580.066 3.794 50 10 KHGE O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084227185 GAFXNBIUBRWKGS-UHFFFAOYSA-N 591.568 3.796 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084602012 IVSLPIKBFGVQGC-UHFFFAOYSA-N 644.262 3.729 50 10 KHGE COc1cccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)c1 1858959741 VEGMBELYULMHIZ-KPKJPENVSA-N 529.502 3.549 50 10 KHGE COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867223901 AWWMCECLVKGPJS-VWLOTQADSA-N 529.666 4.000 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 1902825815 TWVLVCAQTOHJEY-FQEVSTJZSA-N 537.476 3.743 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CC[C@H](I)C1 1995285758 KIEWSFGMXMPQNU-QMMMGPOBSA-N 505.919 3.703 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 100063047 RAWNLZLWEKRVTO-UHFFFAOYSA-N 521.549 3.922 50 10 KHGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 104845005 YPCRGAWUKQQKBF-IWSBZPQYSA-N 563.057 3.935 50 10 KHGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(OC)c1OC 254480406 OBTLLXYSPPTQMN-XHFATZQESA-N 502.571 3.700 50 10 KHGE COc1cc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254799097 ADXZPDAMYQLSIH-UHFFFAOYSA-N 508.443 3.568 50 10 KHGE CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@H]3CC(C=O)=C4C=C(OCCCl)CC[C@]4(C)[C@]3(F)[C@@H](O)C[C@]12C 263606147 QNXUUBBKHBYRFW-WLOFDYJTSA-N 569.066 3.963 50 10 KHGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2268679642 OXJOMLLFUKQTJW-NSYGIPOTSA-N 506.433 3.511 50 10 KHGE N#CC(=CNc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc(Br)cc2)cs1 2296790163 TYTGRXUCLLIDHC-UHFFFAOYSA-N 503.407 3.721 50 10 KHGE COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCc4cc(OC)c(OC)cc4[C@H]3C)c3ccccc32)cc1OC 2145054 UQDYGESCMILDNW-AXBNNCGMSA-N 544.608 3.779 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 100062052 FHOGQAVDXVOYNW-UHFFFAOYSA-N 559.192 3.662 50 10 KHGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 100097085 KRNFPXYPUMLMLI-BQYQJAHWSA-N 557.264 3.643 50 10 KHGE CNS(=O)(=O)c1ccc(/C(C)=N\NC(=O)c2ccc(CN(Cc3cccnc3)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 102831010 FRPKGQSZCUTYKY-NVMPUMLXSA-N 621.741 3.543 50 10 KHGE N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)NCCN1CCN(C(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)CC1 102943174 YLTFMRSPTCGRIX-YHARCJFQSA-N 571.531 3.664 50 10 KHGE CCOc1cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1083918204 YQHOXZYIMIHJPD-UHFFFAOYSA-N 564.511 3.945 50 10 KHGE COc1ccc(N2C(=O)c3ccc(C(=O)N[C@H](C)C(=O)Nc4ccc(SC#N)cc4)cc3C2=O)cc1OC 1866574319 LZSHLAJBQZPZOZ-OAHLLOKOSA-N 530.562 3.835 50 10 KHGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 1873795262 VLUCLYSXCNQMDJ-KQBIVOJMSA-N 510.591 3.871 50 10 KHGE CN1CCC[C@@H]([C@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2089535183 KCHDNGRJSSNOSS-NWDGAFQWSA-N 523.028 3.914 50 10 KHGE C[C@@]1(CBr)COCCN1C(=O)c1ccc(Br)cc1I 2142286422 CHXVKVFICHUDDC-CYBMUJFWSA-N 502.972 3.680 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Br 12584370 BXYQFNUILZJGBK-UHFFFAOYSA-N 506.578 3.779 50 10 KHGE CCOc1ccc(/C=N/NC(=O)c2ccccc2NC(C)=O)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20616177 LJBFXGVTTMPMAO-DFWUMYFXSA-N 527.625 3.589 50 10 KHGE biogenic CSc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 254696404 QMHWVLQROXQVRP-UHFFFAOYSA-N 524.668 3.751 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2cccc3ccccc23)c(I)c1 1084130536 UAXGUEZWOJAJQE-UHFFFAOYSA-N 529.378 3.806 50 10 KHGE CCN(CC)c1c(C=NNc2nc(SCC(=O)NNc3ccc(F)cc3)n[nH]2)c(C)nn1-c1ccccc1 1084314796 VOIFQMNNBRKJPD-UHFFFAOYSA-N 536.641 3.966 50 10 KHGE COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(C)(=O)=O 1866892168 GQPZTNKFHNOTLN-NRFANRHFSA-N 509.609 3.652 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2370253832 KGHXCQHKUCHYTN-JKSUJKDBSA-N 511.360 3.573 50 10 KHGE COc1cc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc(OC)c1OC 100190768 OYVNCWHZQVVZFD-UHFFFAOYSA-N 554.463 3.849 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccccc1OC 252624807 PVOGJJVEPREMHP-UHFFFAOYSA-N 562.437 3.932 50 10 KHGE Cc1nc2ccc(Br)cn2c1C(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 725379784 SPSHUYZEBLQKLD-UHFFFAOYSA-N 512.408 3.997 50 10 KHGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084267636 IZQFZLMMLRCWAJ-UHFFFAOYSA-N 523.343 3.846 50 10 KHGE COc1cc(/C=N/NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)cc(I)c1O 1615016778 PGKNQBWYPMQJNS-OYSUAAAPSA-N 628.460 3.701 50 10 KHGE N#CC(=Cc1ccc(OC(F)F)cc1)C(=O)NCCN1CCN(C(=O)C(C#N)=Cc2ccc(OC(F)F)cc2)CC1 2053622436 YLTFMRSPTCGRIX-UHFFFAOYSA-N 571.531 3.664 50 10 KHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2ccc(Br)cc2I)C1 2142285110 LMMQIRXKJUXNMB-ZJUUUORDSA-N 502.972 3.678 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCO[C@]2(CBr)C1 2239915252 HPAVNHNITJXWSO-LKFCYVNXSA-N 514.983 3.680 50 10 KHGE O=C(C=Cc1ccc(F)cc1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 2313617059 ADUFEYXYXIRWAB-UHFFFAOYSA-N 502.365 3.856 50 10 KHGE COc1cc(OC)cc(C(=O)NNC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c1 2313682470 CXLROSBXCYXVME-UHFFFAOYSA-N 501.499 3.572 50 10 KHGE COc1ccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc1COc1ccc(C(=O)OCC(C)C)cc1 1496971 ZRNDMDNQAOESII-XODNFHPESA-N 508.527 3.968 50 10 KHGE N#C/C(=C\Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 1900598 OKIIZLCYXNOXEE-JLHYYAGUSA-N 571.438 3.618 50 10 KHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1C 12570124 ZTWHPTASRFTVIG-CQSZACIVSA-N 511.431 3.818 50 10 KHGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCCc2ccccc2)c(Br)c1 100314124 WMXYXJZSEBUZBV-QFIPXVFZSA-N 595.519 3.755 50 10 KHGE COc1ccc(NS(=O)(=O)c2ccc(N3C(C)=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C3N)cc2)nn1 100807991 WURFTRAILFFUDF-UHFFFAOYSA-N 534.442 3.815 50 10 KHGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccccc1 256028552 UNFIQOXTBVKESZ-UHFFFAOYSA-N 508.423 3.713 50 10 KHGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCC#N 1084490219 FUSQFKDZMFFOQT-SFHVURJKSA-N 507.328 3.556 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2ccc(N3CCOCC3)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866904929 PBUPOHUDPMSAHV-NDEPHWFRSA-N 558.660 3.930 50 10 KHGE C=CCOc1c(I)cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)cc1I 252629274 UCNMDWOQDQAHPR-UHFFFAOYSA-N 646.223 3.711 50 10 KHGE Cc1ccccc1N(CC(=O)NN=Cc1cc2c(cc1Br)OCO2)S(=O)(=O)c1ccccc1 1084303347 XVKWYGSORGFFCW-UHFFFAOYSA-N 530.400 3.832 50 10 KHGE Brc1ccc(I)cc1CO[C@H]1COC[C@H]1I 1902315750 QOCFRWNKGKSVMZ-MNOVXSKESA-N 508.919 3.773 50 10 KHGE O=S(=O)(C[C@@H](Br)c1ccc(Br)cc1I)N1CCCC1 2142284312 ARTARAFYMZHAFZ-LLVKDONJSA-N 523.028 3.915 50 10 KHGE Cc1nn(Cc2ccc(C(=O)NN=CC(Br)=C(Br)C(=O)O)o2)c(C)c1Cl 2297505054 BPWYYCNBCJENFB-UHFFFAOYSA-N 508.554 3.596 50 10 KHGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 2301120963 QIZIATJONICDMG-LBPRGKRZSA-N 524.051 3.997 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 41018620 CAELMRNULUOUQG-AWFLEDEYSA-N 506.555 3.876 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 100082811 LNNBPQJTOZCSHJ-UHFFFAOYSA-N 580.642 3.796 50 10 KHGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3ccc(F)cc3Cl)c3ccccc23)C1 254741178 VTPIVXJKZNOAHB-GOSISDBHSA-N 505.015 3.994 50 10 KHGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 254757176 CTQITNJWIIQOTL-UHFFFAOYSA-N 519.554 3.592 50 10 KHGE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)sc(/C(C)=C/C#N)c1C 1873427160 IQWHIYPMZUOQMJ-PSSQXEACSA-N 511.600 3.817 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2283962131 GXKAKJXJPUVBNH-DFXHWTJYSA-N 520.460 3.901 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc4ccccc4n3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642629 XFMJRLJCUHDBBO-QHGFFQERSA-N 573.690 3.663 50 10 KHGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 14661552 PWWGIZUHMZEBBE-UHFFFAOYSA-N 512.360 3.801 50 10 KHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1Br 100194095 CHHQHIQYNGQOLI-UHFFFAOYSA-N 559.280 3.961 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597463 SVYRBGBTXOIEQZ-NLRVBDNBSA-N 509.906 3.695 50 10 KHGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 254623364 KVLFHJSRFVNNAC-UHFFFAOYSA-N 509.588 3.787 50 10 KHGE CCc1ccccc1N(CC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 1084221589 CURDBPNMGHBMEE-UHFFFAOYSA-N 525.627 3.929 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084389342 SYIVPEBQGYQBGS-UHFFFAOYSA-N 570.624 3.992 50 10 KHGE CCOC(=O)Cc1c(I)cc(I)cc1CBr 2055231395 MKBDOZROGKKZPE-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE O=C(c1cc(I)ccc1Br)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146691064 FBYALOKYCCYNHI-XDTLVQLUSA-N 514.983 3.821 50 10 KHGE O=C(N[C@@H](CSCc1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 8386136 FPEYAFJVJUFAPZ-PWYGXMRTSA-N 507.528 3.685 50 10 KHGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc2ccccc2c1 103864915 SSSVPZWTBCBQAJ-JFLMPSFJSA-N 559.404 3.814 50 10 KHGE Cc1cc(OCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)COc3ccc(Br)c(C)c3)cc2)ccc1Br 150423358 FIHCNHWKCQGIGX-UHFFFAOYSA-N 648.308 3.508 50 10 KHGE CCCCCCOc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962055 PCZWUTNYFXFJMN-VXKWHMMOSA-N 507.635 3.776 50 10 KHGE Cc1nc(I)c(I)n1-c1ccnc(CBr)c1 1994770480 XYWKKRIYRUPOOL-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 2313616930 AMVDQIVVXQMBBF-UHFFFAOYSA-N 514.401 3.725 50 10 KHGE Cc1sc(Br)cc1S(=O)(=O)NCC(F)(F)C(F)(F)CI 2361666323 DDBQPCOFORGWLG-UHFFFAOYSA-N 510.110 3.803 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/C(C)C 59261425 AXNLNDDORNCTMV-HYLGSWLWSA-N 512.421 3.919 50 10 KHGE O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1I 100143882 AGZNCCQRPULOOC-UHFFFAOYSA-N 531.375 3.820 50 10 KHGE CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 100219225 XNNPQKCQRWFWCK-MOYYISEASA-N 537.407 3.762 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1I 100241013 VGCNPKJKHXODNQ-UHFFFAOYSA-N 524.167 3.556 50 10 KHGE CC1(C)[C@]2(C(=O)N3CCN(C(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)CC3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019065 IYHXNBAPKLPCLW-RNGZTDFMSA-N 600.392 3.975 50 10 KHGE O=C(Cn1ncnn1)NNC(=S)Nc1cc(CSc2ccc(Cl)cc2)ccc1C(F)(F)F 642773204 NRUQJUCCZHRMHS-UHFFFAOYSA-N 501.947 3.655 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccc2c(c1)OCO2)c1ccccc1 1084504021 HEVGHHMPHPLPHY-UHFFFAOYSA-N 546.399 3.532 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCC(=O)OC)cc2Br)cc1 1084552307 OFLMXQPGFAWYOZ-HXUWFJFHSA-N 537.407 3.762 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccccc2)c(OC)c1 1084631005 HCOOAJZRNGVTCT-UHFFFAOYSA-N 532.416 3.812 50 10 KHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772747425 ONZDBEHBZJQVTI-UHFFFAOYSA-N 536.404 3.961 50 10 KHGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 1872961057 IEBFJTSGLIHGQT-CABCVRRESA-N 543.468 3.854 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2313862245 PIJWXLYDEKKNBE-UHFFFAOYSA-N 513.142 3.668 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)cc1Br 13976489 DOEYBIPTEDOCBV-UHFFFAOYSA-N 509.382 3.504 50 10 KHGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40657925 LEIUGVWDEOCBTN-UHFFFAOYSA-N 501.297 3.825 50 10 KHGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 100218937 PSDHVYWWLWFNFP-QVISHHADSA-N 537.407 3.762 50 10 KHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 252615462 JSOOMQQXZUDIEV-VFGUMFSQSA-N 504.499 3.542 50 10 KHGE Cc1ccc(-c2c(C(=O)NN=Cc3ccc(OCc4ccc(F)cc4)cc3)nnn2-c2nonc2N)cc1 254517031 AKFZXVWYHHVJSV-UHFFFAOYSA-N 512.505 3.690 50 10 KHGE COc1ccc(OCC(=O)NN=C2C(=O)N(CN3CCc4cc(OC)c(OC)cc4[C@@H]3C)c3ccccc32)cc1OC 254628706 DRPJTOLYAXCSIK-IBGZPJMESA-N 574.634 3.544 50 10 KHGE O=C(/C=C/c1cccc(F)c1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858960623 XJOANSVMMKPSMS-IZZDOVSWSA-N 517.466 3.680 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858960723 LYONTDZIMOVOGC-UHFFFAOYSA-N 525.873 3.934 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771097 JSBSESFXRDKCPP-UHFFFAOYSA-N 503.367 3.658 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178083430 RTNXDZZAATWQLT-DYLAAIIWSA-N 514.983 3.536 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1scc(C)c1B(O)O 2283963716 KFUUTCNWSWGDEH-QLXKLKPCSA-N 520.460 3.648 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2285009109 OIEXEIOSSXXETN-QHCPKHFHSA-N 508.330 3.537 50 10 KHGE COc1ccc(CN(C(=O)C=CC(=O)O)[C@H]2CC(=O)N(c3ccc(OCCCCCCl)cc3)C2=O)cc1 2313528180 SRLVVUBITGILDP-QHCPKHFHSA-N 528.989 3.785 50 10 KHGE COCCO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2338888156 ZQPZTIIEXZPTEI-JHJVBQTASA-N 505.972 4.000 50 10 KHGE N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NCc1cccc(CNC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)c1 4465060 BZBHKFPSSOSEGU-NFXRTZMGSA-N 534.528 3.591 50 10 KHGE O=C(NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(NC(=O)C2CCCCC2)cc1 13976731 YVSXEAIBDDAACK-UHFFFAOYSA-N 503.968 3.716 50 10 KHGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C 1083951041 QLVZAGWRAHELHH-UHFFFAOYSA-N 536.654 3.552 50 10 KHGE O=C(CSc1nnnn1-c1ccccc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 1565517953 GOJQFEDRCAOYEQ-UHFFFAOYSA-N 525.554 3.666 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](OCCBr)C1 2142284380 BIGJZSXDVPRCNQ-SNVBAGLBSA-N 502.972 3.680 50 10 KHGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1ccc(Br)cc1I 2207264869 KPHGGPMCAJYIOX-KOLCDFICSA-N 516.999 3.974 50 10 KHGE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2350358848 ZEOMXQKYWUQVBE-KSFYIVLOSA-N 507.719 3.973 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 100081338 QTLFFYDKXCMGEK-UHFFFAOYSA-N 612.256 3.753 50 10 KHGE CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 100219221 XNNPQKCQRWFWCK-RAQUAXEKSA-N 537.407 3.762 50 10 KHGE Cc1cc(I)ccc1NC(=S)N[C@H](NC(=O)CCl)C(Cl)(Cl)Cl 100917370 QLNUDCJXEYGYPP-JTQLQIEISA-N 515.031 3.937 50 10 KHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 104424913 QITUUMOZBNRXCP-UVHMKAGCSA-N 531.038 3.998 50 10 KHGE Brc1cc(I)cnc1N1C[C@H](Br)C[C@]2(CCCO2)C1 2133381177 DJVFOJOLGNQXJE-NOZJJQNGSA-N 501.988 3.972 50 10 KHGE N#CC(=Cc1cc(Br)c(I)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 2313556806 LKWJBGSTHJLXFI-DYVFJYSZSA-N 508.117 3.854 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CC2(CC[C@@H](CBr)O2)C1 2361884549 QJTCEMVZMLZCKP-JTQLQIEISA-N 514.983 3.822 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1I 100161070 FXSRFWJTNKUPSX-UHFFFAOYSA-N 532.334 3.832 50 10 KHGE CCOC(=O)COc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 100219284 NSPKUZIFZVJCFP-BUNCMMSWSA-N 598.434 3.994 50 10 KHGE N#CCOc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100452998 VNHPYZQRTDPVKC-NSTHGIQOSA-N 589.171 3.762 50 10 KHGE COc1c(C=NNC(=O)c2ccccc2O)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254305028 HZQORCLCZVNCGM-KRWDZBQOSA-N 521.501 3.777 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1OC 1772720497 QBNIAUZFPQMXAF-UHFFFAOYSA-N 609.632 3.618 50 10 KHGE CCCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1866802311 CKTNKDIFVQVXIB-HXUWFJFHSA-N 519.645 3.754 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2283962847 GXKAKJXJPUVBNH-XWXLMPLOSA-N 520.460 3.901 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100136505 MWQVEDONPYUDBP-UHFFFAOYSA-N 558.223 3.692 50 10 KHGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 100314050 FSSBFFDUGMPHEW-SFHVURJKSA-N 561.502 3.558 50 10 KHGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1OC 104768229 OOBOPTMVIHWFJL-AFUMVMLFSA-N 533.452 3.851 50 10 KHGE COc1cc(C(C)=NNC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)ccc1OCc1ccc(F)cc1 254348500 DLNRXVFXEMQURY-UHFFFAOYSA-N 542.531 3.780 50 10 KHGE Cn1cc(Br)c(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3Br)cc2)n1 1084010323 QLDMQDXHGFPMQS-UHFFFAOYSA-N 506.154 3.928 50 10 KHGE COc1ccc(-n2nncc2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866923454 DVOZQTZKKPQQHE-QHCPKHFHSA-N 514.567 3.534 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2269564191 SZLSVHSELACYMR-RUZDIDTESA-N 506.795 3.912 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 2314620415 POYCCCLZQSTOBG-UHFFFAOYSA-N 526.549 3.712 50 10 KHGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2329696478 BGSZFBGOECIUTO-UHFFFAOYSA-N 510.797 3.669 50 10 KHGE BrC[C@H]1CO[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@@H]21 2349826011 FUIQWYXBCOEZAR-MISXGVKJSA-N 501.000 3.895 50 10 KHGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)CCNC(=O)c3ccccc3Cl)cc2)cc1OC 34988491 MJVAWQXATAHFTI-MWLSYYOVSA-N 509.946 3.847 50 10 KHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)c(Br)c1 100080497 QWAVBCBYIVOGNE-UHFFFAOYSA-N 610.122 3.762 50 10 KHGE O=C(NN=Cc1cc(I)cc(I)c1O)c1ccc([N+](=O)[O-])cc1Cl 1082753866 SZUBVWVOPUVACD-UHFFFAOYSA-N 571.496 3.927 50 10 KHGE Cc1cc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1084543561 APSUMEGWSQHUPG-LJAQVGFWSA-N 640.187 3.962 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2283964213 MGVPWSJAKCCMTB-DFXHWTJYSA-N 520.460 3.901 50 10 KHGE Brc1cc(CNCCOCCCI)ccc1I 2306228278 QVOIOSONEWCGPG-UHFFFAOYSA-N 523.978 3.985 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)c(Br)c1 13979181 GRYWFTLGTWKFEH-UHFFFAOYSA-N 500.418 3.808 50 10 KHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)c1 14041963 MEWHEFVONXSHCP-UHFFFAOYSA-N 508.438 3.905 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14651246 SYSIQOSNAMLATC-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869713 SZVGUOVZZXHNNM-FJEPWZHXSA-N 539.972 3.855 50 10 KHGE COc1cccc(C=NNC(=O)[C@H](C)Sc2nnc(S[C@@H](C)C(=O)NN=Cc3cccc(OC)c3OC)s2)c1OC 252631059 VHHRYNHMMAJZLZ-HOTGVXAUSA-N 618.763 3.834 50 10 KHGE C=C[C@@](O)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]2OC(C)(C)O[C@H]2[C@@H]1OC 575449050 LDOSMOMSBPPRGF-IPVRXCPOSA-N 512.719 3.762 50 10 KHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)cc1)Nc1ccc(F)cc1 725409964 DMMVTHZBUCXBDT-UHFFFAOYSA-N 513.323 3.695 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2Cl)cc1 1084468730 PKKXRCHIINBVOP-UHFFFAOYSA-N 513.019 3.682 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744233 BMKUUBXEZBKECW-UHFFFAOYSA-N 545.379 3.911 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 59146720 MVBDOKCSNBQSDB-FSRJSHLRSA-N 524.577 3.526 50 10 KHGE COC(=O)[C@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 77284908 KXTNIKNREDJJSO-LKTXNROYSA-N 583.387 3.956 50 10 KHGE in-vitro O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082706 RGERTVQXPFPUMR-UHFFFAOYSA-N 612.256 3.753 50 10 KHGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207563 NMMSBCVBKULNBR-UHFFFAOYSA-N 600.491 3.962 50 10 KHGE CSCCOC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 1083905476 ZFWRTOFCCXVCHC-UHFFFAOYSA-N 576.096 3.971 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185299216 XXBDTEMIWDPVTF-OXHMUOHRSA-N 514.983 3.821 50 10 KHGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCn3ccnc3)c2)C[C@@H](C)O1 2314476909 XURPPIWKVWFAJA-PSWAGMNNSA-N 599.717 3.647 50 10 KHGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1CCCCC1 110556584 GGDWFKMUHMWLLG-PTGBLXJZSA-N 545.665 3.916 50 10 KHGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2ccc(-c3ccccc3C(=O)O)o2)c1C#N 1083974518 BGRXENOEBIWABR-UHFFFAOYSA-N 527.331 3.658 50 10 KHGE COc1ccccc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1084038813 YRBSIKNLHOXLGN-UHFFFAOYSA-N 530.444 3.841 50 10 KHGE COc1cc(C(=O)NN=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)ccc1I 1084044292 AJWGPLAUTWXZGN-UHFFFAOYSA-N 561.332 3.868 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCC(=O)OC)c(I)c2)cc1 1084214081 GZYCOXOHTLOVMS-IBGZPJMESA-N 666.250 3.810 50 10 KHGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)CN3CCOCC3)cc2I)cc1 1084309800 HQUVFFYOFCRYLL-UHFFFAOYSA-N 572.241 3.723 50 10 KHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142287569 NSCIMGRAWSTFEE-UWVGGRQHSA-N 502.972 3.678 50 10 KHGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccc(F)cc4)cc3OC)nc2s1 2297350736 JYXLYYJVTJDFJU-UHFFFAOYSA-N 505.531 3.986 50 10 KHGE CSCC[C@@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 2331924539 ULCSRPKHZVDWRH-JOCHJYFZSA-N 532.713 3.790 50 10 KHGE COCCN1C[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2349858322 WCQIBMKFTMOQOC-DGCLKSJQSA-N 503.016 3.938 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 100202569 VFFSYLZTNZCIQB-UHFFFAOYSA-N 536.604 3.730 50 10 KHGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 100218943 PSDHVYWWLWFNFP-ANRZFROFSA-N 537.407 3.762 50 10 KHGE O=C(N[C@H]1CCCN(CCBr)C1)c1cc(I)ccc1Br 384744076 RFNVWFQADNXOAZ-NSHDSACASA-N 516.015 3.643 50 10 KHGE N#C/C(=C\c1ccc(OCC(=O)O)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 1084272523 ZCROGHYJNJRFNV-CXUHLZMHSA-N 515.307 3.502 50 10 KHGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2Cl)n1 1084462097 UBDXUBPKWQAEFU-UHFFFAOYSA-N 516.027 3.769 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Cc2ccc(N3CCOCC3)cc2)cc1 1866907104 ICOKUTSKYXCVGZ-SANMLTNESA-N 516.623 3.711 50 10 KHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1cc(I)ccc1Br 2097945215 JOSWKRPIQIAOTG-WCBMZHEXSA-N 502.972 3.726 50 10 KHGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2268679641 OXJOMLLFUKQTJW-GKVSMKOHSA-N 506.433 3.511 50 10 KHGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCOCC3)c2)C1 2314508619 VVLCNNJQORLVHI-JOCHJYFZSA-N 545.665 3.726 50 10 KHGE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349649489 IBWKBXJMJKVFPD-OPAMFIHVSA-N 507.719 3.973 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC[C@@H](CBr)O2)C1 2361880921 BJVZLXGVHNKRJQ-JTQLQIEISA-N 514.983 3.822 50 10 KHGE COc1c(I)cc(I)cc1C=NNC(=O)OC(C)(C)C 16158288 XERZECGYCIGVAZ-UHFFFAOYSA-N 502.090 3.763 50 10 KHGE Cc1cc(Cl)cc2c1NC(=O)/C2=N/NC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12 230040783 YPQNUSPGESXQIK-ANOZEODCSA-N 546.020 3.666 50 10 KHGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(I)c1O 254568022 YZDFLUPMEZQYNX-XRVIPMFNSA-N 584.414 3.993 50 10 KHGE C[C@H](Br)[C@@H]1CN(C(=O)c2cc(Br)ccc2I)CCO1 2117530028 DUVDDSCUFLYQKT-UFBFGSQYSA-N 502.972 3.678 50 10 KHGE C[C@@]1(CBr)COCCN(C(=O)c2ccc(I)c(Br)c2)C1 2199825796 ULWHNBAKOXRQCH-AWEZNQCLSA-N 516.999 3.927 50 10 KHGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314611292 SKZUGSVFJIPJAR-UHFFFAOYSA-N 571.659 3.561 50 10 KHGE N#Cc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1OC(=O)c1ccccc1 3116476 KBQYSTHUIPMNNN-LGJNPRDNSA-N 523.299 3.977 50 10 KHGE COc1cc(/C=N/NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc2ccccc2c1 59246861 OGINCOPQQAKVNQ-JFLMPSFJSA-N 512.404 3.972 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601507 YTURKFVAKAZMBN-NLRVBDNBSA-N 509.906 3.695 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 205782918 YTOVXSCSWMLLHN-UVKUDMKVSA-N 697.795 3.715 50 10 KHGE COC[C@](C)(CBr)CNC(=O)c1ccc(Br)cc1I 2142281135 MOXJSKLRMHYUGT-CYBMUJFWSA-N 504.988 3.831 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314618480 OHBDBGOTDAFSOD-XMMPIXPASA-N 571.659 3.561 50 10 KHGE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349642099 JGNYGRBRDYHNMF-AOMKIAJQSA-N 507.719 3.971 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1 12503355 GADOJMVDOMWRAD-UHFFFAOYSA-N 516.417 3.644 50 10 KHGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1OC 100869817 AAYOFHYAJZJHBB-OCSSWDANSA-N 564.551 3.500 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 150455348 YTOVXSCSWMLLHN-SIBAOGJBSA-N 697.795 3.715 50 10 KHGE NNC(=O)c1sccc1COc1c(I)cc(Cl)cc1I 380650092 ZFPFBMPZDBEKLF-UHFFFAOYSA-N 534.544 3.793 50 10 KHGE COc1ccc(N(CC(=O)NN=C(C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084301739 LRHANEBPIOQSEM-UHFFFAOYSA-N 526.571 3.656 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)O 2313567342 JCCHLFLVEPUYMN-UHFFFAOYSA-N 514.376 3.567 50 10 KHGE CC(C)(C)OC(=O)N1CCN(Cc2cc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc(B(O)O)c2)CC1 1887518519 DPMIBQFEIIYHDA-UHFFFAOYSA-N 557.456 3.780 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)ccc1O 58992051 AKEKEMQIQKCBDK-ZMOGYAJESA-N 519.425 3.548 50 10 KHGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCC(=O)N1CCOCC1 256028497 PUKQMWTWAIHFHG-UHFFFAOYSA-N 620.551 3.846 50 10 KHGE CC(=NNC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccc(Br)cc1 1084045072 JQGKWURZKSDGKP-UHFFFAOYSA-N 524.242 3.816 50 10 KHGE O=C(O)COc1ccc(C=NNC(=O)c2cc(Br)cc(Br)c2O)cc1Cl 1084367515 QYOUDQFJASILRN-UHFFFAOYSA-N 506.534 3.798 50 10 KHGE O=C(c1cc(Br)ccc1I)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146696084 VXONVFQMTCXLRX-ZWKOPEQDSA-N 514.983 3.821 50 10 KHGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C(C)=C(C#N)C1=O 2314621148 ZQVUJJREJVPMLX-UHFFFAOYSA-N 538.560 3.856 50 10 KHGE COC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 100284175 XSPKVMIIHHCCML-CMBCABCVSA-N 528.197 3.727 50 10 KHGE CC1=C(Br)C(=O)[C@](C)(Br)[C@@H](Br)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 102967774 QUVPCCJRVQBBMH-WGFSPCAYSA-N 559.030 3.893 50 10 KHGE COc1ccc(/C=C2/SC(=O)N(CC(=O)Oc3ccc(C=NNC(=O)c4ccccc4O)cc3)C2=O)cc1OC 254840283 GPSDQQLJMDHNIW-JSXGTUHNSA-N 561.572 3.815 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860771353 SEQBIAKKOCIQLP-UHFFFAOYSA-N 503.367 3.658 50 10 KHGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCCOCCOCCOCc2ccccc2)C1 2211319652 JQFAMQFWTAYCDH-WOJBJXKFSA-N 535.419 3.676 50 10 KHGE Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1C=C(C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 2296347514 KXENGAFLEVSSTA-QFIPXVFZSA-N 504.612 3.845 50 10 KHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 2314792913 IKEWOWRMWRURAK-UHFFFAOYSA-N 524.529 3.746 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC([C@@H](F)CBr)CC1 2364202922 YMTOPLHPZUIQIZ-IBGZPJMESA-N 503.434 3.618 50 10 KHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c(OC)c1 38656951 VJUOJJLKSJWIMK-RUZDIDTESA-N 503.467 3.815 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br 100215411 YTOZULCELYIBQV-UHFFFAOYSA-N 531.226 3.568 50 10 KHGE C/C(=N\NC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccc(Br)cc1 104769139 JQGKWURZKSDGKP-SSDVNMTOSA-N 524.242 3.816 50 10 KHGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)c1 725423135 RQWGRPCVGMTUHK-UHFFFAOYSA-N 562.442 3.821 50 10 KHGE Cc1cccc(C(=O)NN=Cc2ccccc2OCC(=O)O)c1NS(=O)(=O)c1ccc(Cl)s1 1081159636 UFWYMMLSZOTYCV-UHFFFAOYSA-N 507.977 3.738 50 10 KHGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)SC1=NNC(=O)Cc1ccccc1 1772718555 GPCDAGJTWZKCJD-SFHVURJKSA-N 501.406 3.538 50 10 KHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 2313619170 IDPMLLPCHZAMMO-UHFFFAOYSA-N 541.265 3.943 50 10 KHGE N#Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59154121 MOGJECGFSBUCQQ-FAJYDZGRSA-N 507.319 3.906 50 10 KHGE C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(Br)cc1 105637272 YRXJZIRGXZSGHZ-OCHFTUDZSA-N 594.264 3.553 50 10 KHGE COC[C@@](C)(CBr)N(C)C(=O)c1cc(I)ccc1Br 689310871 CPNQMRYOOIMWRD-CYBMUJFWSA-N 504.988 3.926 50 10 KHGE C[C@@H](Br)c1cnnn1-c1cc(I)cc(I)c1 690366806 LAFNLGSKMQPVLV-ZCFIWIBFSA-N 503.907 3.932 50 10 KHGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1OC 1084030909 DVODBDYTLPDWFP-UHFFFAOYSA-N 553.015 3.574 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(Cl)c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859005760 ZUSTZUWKNHWPMH-UHFFFAOYSA-N 503.920 3.698 50 10 KHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)CCC(=O)c4ccc(Cl)cc4)c(=O)c23)C1 1860771416 VSQJGLDRCGMGFQ-KBPBESRZSA-N 501.008 3.608 50 10 KHGE CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)cc1 1866128621 BYPPQRIMVWFARC-DTQAZKPQSA-N 505.394 3.783 50 10 KHGE O=C(CSc1nnc(-c2ccncc2)n1N=Cc1ccc(Cl)cc1)NN=Cc1ccc2c(c1)OCO2 252588682 ADOAKTJRKAMXJE-UHFFFAOYSA-N 519.974 3.847 50 10 KHGE Cc1cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084467399 VZSZXGYMBJCDSZ-UHFFFAOYSA-N 505.575 3.974 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772749135 XCWGKDAHFUWHFT-UHFFFAOYSA-N 539.932 3.703 50 10 KHGE Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(=O)(=O)N(C)C 1866638512 JZPPQJOBRNCDNT-HSZRJFAPSA-N 522.652 3.798 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2268646825 VLVSJOPUSORBAV-IVCQMTBJSA-N 506.795 3.912 50 10 KHGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 2313624834 KKTRDBDSMDDSSS-UHFFFAOYSA-N 514.401 3.725 50 10 KHGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)=C(C#N)C1=O 2314618164 IKBBFBWKSKQWGW-UHFFFAOYSA-N 615.712 3.579 50 10 KHGE Cc1nc(I)c(I)n1-c1c(CCl)c(C(F)F)nn1C 2339726178 UMIUFRRZCWWJRH-UHFFFAOYSA-N 512.467 3.800 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC)cc1 14654086 IUDLGMLYYXDNTK-UHFFFAOYSA-N 507.410 3.536 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(O)c(OCC)c2)cc1 58894989 NMWFFSKLOAQVER-VLZFXTDASA-N 512.344 3.758 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1I 100193611 RDDNRNRDHVYLFS-UHFFFAOYSA-N 562.227 3.792 50 10 KHGE COc1ccc(C(=O)NCCCC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)cc1OC 100869878 QFEGWASISBRMTJ-DPNNOFEESA-N 609.632 3.618 50 10 KHGE O=C(CCCCC(=O)NNC(=O)COc1ccc(Cl)cc1Br)NNC(=O)COc1ccc(Cl)cc1Br 150392167 MQIVRJBIIBHTNK-UHFFFAOYSA-N 669.154 3.831 50 10 KHGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H](CBr)O1 235648052 YBZLJGLCWGSWRI-WCBMZHEXSA-N 502.972 3.678 50 10 KHGE O=C1[C@@H](Br)[C@H]2Oc3c(cc(Br)c(O)c3Br)N[C@H]2C[C@H]1Br 1307331916 GUZLXPLSTAEBLP-BFTCFJKBSA-N 534.824 3.959 50 10 KHGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687312 OHQKSDJIMBTKAY-AREMUKBSSA-N 533.604 3.571 50 10 KHGE Cc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(=O)(=O)N(C)C 1866633068 HZEDKCSOJOAYJV-QHCPKHFHSA-N 540.642 3.937 50 10 KHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 9821937 UYWPZRQYXRZMGH-UHFFFAOYSA-N 520.611 3.612 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1I 100088264 YFEXNERUEQDBEN-UHFFFAOYSA-N 582.645 3.730 50 10 KHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 1084457405 CRXQQJIVCZVXAU-UHFFFAOYSA-N 510.620 3.653 50 10 KHGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCCn3ccnc3)c2)C[C@@H](C)O1 1554269030 XURPPIWKVWFAJA-XJSXSNEFSA-N 599.717 3.647 50 10 KHGE CC1(C)OC[C@H](NC(=O)c2ccc(I)c(Br)c2)[C@@H]1Br 1910939300 GBZRVUIXQDVLRM-QWRGUYRKSA-N 502.972 3.724 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185299217 XXBDTEMIWDPVTF-ZEGGKSINSA-N 514.983 3.821 50 10 KHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC12CCCCC2 2241026365 KTWUZBVBGGTLJX-FOIQADDNSA-N 501.418 3.513 50 10 KHGE O=C(NN=Cc1cc2c(cc1Br)OCO2)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482972 KYUFZFMYDZZAKV-UHFFFAOYSA-N 536.338 3.828 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CC2 2350363216 KFJAFIAKIAHADA-JOCHJYFZSA-N 505.703 3.869 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14662628 WMLYQPPZZSXPLV-UHFFFAOYSA-N 512.360 3.801 50 10 KHGE COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)cc1OC 33959255 NLNKLDHUHUFQNK-RWPZCVJISA-N 524.526 3.721 50 10 KHGE O=C(CNc1cccc(N2CCCC2=O)c1)N/N=C/c1cc(Br)c(O)c(Br)c1 59507447 ZTTDKRBQSQOBAJ-AUEPDCJTSA-N 510.186 3.606 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 101619185 OCZZVPHDBALUCO-NLRVBDNBSA-N 563.405 3.583 50 10 KHGE COc1ccc(C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1CSc1ccccn1 254424319 XJYVBWXYSWKKCW-UHFFFAOYSA-N 504.597 3.990 50 10 KHGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)NCc3ccncc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084112298 SMYPFMDZUDSURG-UHFFFAOYSA-N 580.066 3.794 50 10 KHGE O=C(O)COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 1084163580 KIMDPSOZZOTOPH-INIZCTEOSA-N 514.170 3.639 50 10 KHGE BrC[C@@H]1CC[C@H]2CN(c3ncc(I)cc3Br)C[C@H]2O1 2273540142 ZVSSJZBQNUJSNA-PTOFAABTSA-N 501.988 3.827 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1I 13978957 ICCGOXGESINMEG-UHFFFAOYSA-N 511.385 3.547 50 10 KHGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1OC 100869819 USJLIYJKVAFVHY-OCSSWDANSA-N 564.551 3.500 50 10 KHGE COc1cc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869849 ZFWOMMSANDMHQR-FDVSRXAVSA-N 554.552 3.730 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1ccc(Br)cc1 104768661 KKOKFMYLOYLMOU-QPJQQBGISA-N 605.110 3.894 50 10 KHGE O=C(CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21)NN=Cc1cccc([N+](=O)[O-])c1 252606863 GWPLMXUHSIJMHD-UHFFFAOYSA-N 520.343 3.692 50 10 KHGE CO[C@@]1(CBr)CCN(C(=O)c2ccc(I)c(Br)c2)C1 721612784 JDJPMVDLDJPUBD-CYBMUJFWSA-N 502.972 3.680 50 10 KHGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1 1083967953 BPWFNIGXZQPPAR-UHFFFAOYSA-N 503.426 3.843 50 10 KHGE Cc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 1084267548 PYKJFOZOIUKQQS-UHFFFAOYSA-N 521.412 3.912 50 10 KHGE CCCCCCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770619 PVNHSGOLGCLYOZ-QGZVFWFLSA-N 516.689 3.715 50 10 KHGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1ccc(Br)cc1I 2142278730 HEEAHVBNYLVDOM-QPUJVOFHSA-N 502.972 3.584 50 10 KHGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1 14654221 GZCLMTMGUMMDFH-UHFFFAOYSA-N 508.438 3.815 50 10 KHGE COc1ccc(N2C(=O)/C(=C/NNC(=O)COc3ccc(C)c(C)c3)c3ccccc3C2=O)cc1OC 38170971 PSGXSSJZMSPWNZ-HZHRSRAPSA-N 501.539 3.548 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)c(Br)c1 100030736 HAAXCSFQCFXXKS-UHFFFAOYSA-N 533.242 3.817 50 10 KHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 1084641963 YLSZMTPHUPSCSB-UHFFFAOYSA-N 562.692 3.856 50 10 KHGE COc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 1084643302 STJMBMASTPOBJZ-UHFFFAOYSA-N 562.442 3.821 50 10 KHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CCCl)cc1 2106770811 CGANLGOFTVRUGJ-UHFFFAOYSA-N 506.065 3.508 50 10 KHGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 2328808982 OPUHJLBCYPKTNE-UHFFFAOYSA-N 507.344 3.594 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)COc1cccc2ccccc12 100082145 QJAALSNFPWIYHY-UHFFFAOYSA-N 567.259 3.845 50 10 KHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 100126205 XLMCJMWOWINBSA-UHFFFAOYSA-N 558.454 3.569 50 10 KHGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1cccc2ccccc12 101569799 VLMHBWKSPGIMAP-UHFFFAOYSA-N 512.357 3.798 50 10 KHGE CC(=NNC(=O)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)NN=C(C)c3cccnc3)cc2)cc1)c1cccnc1 254698967 CVXUOCYMMSFNEY-ACHIHNKUSA-N 594.628 3.941 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772746523 CZDUMVNMDJEEOO-UHFFFAOYSA-N 530.368 3.600 50 10 KHGE CN(CC1CC(Br)C1)C(=O)c1cc(I)cc(I)c1O 1887846448 MGSXMRHWUXEENW-UHFFFAOYSA-N 549.972 3.847 50 10 KHGE CN1CCN(C(=O)c2cc(Br)ccc2I)[C@H](CCBr)C1 2202833644 DDKOWNHSYRLCLY-LLVKDONJSA-N 516.015 3.595 50 10 KHGE N#CC(=CNc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296025113 OKIIZLCYXNOXEE-UHFFFAOYSA-N 571.438 3.827 50 10 KHGE O=C(/C=C\c1cccc2ccccc12)NNC(=O)CCC(=O)NNC(=O)/C=C/c1cccc2ccccc12 101476081 MNTNMMYMUMUZDA-JRDMOELTSA-N 506.562 3.795 50 10 KHGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 205778302 RCAYTISJCRIUOD-BOBZGOHDSA-N 667.769 3.706 50 10 KHGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216507915 FSMNCWFUPSVSPX-OLFWJLLRSA-N 549.675 3.874 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 254290282 KJYRAECXTFURKE-UHFFFAOYSA-N 501.568 3.972 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1 254406646 FOSNKCFZLSVWHQ-UHFFFAOYSA-N 531.594 3.981 50 10 KHGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(O)c(I)c1 725404945 UHFQGEFZJRYXEG-HNNXBMFYSA-N 550.134 3.565 50 10 KHGE O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc([N+](=O)[O-])cc(Br)c1O 1083923330 TXDICFJUINWZPQ-UHFFFAOYSA-N 520.218 3.942 50 10 KHGE C[C@@H]([C@H](Br)c1cc(I)ccc1Br)S(=O)(=O)N(C)C 2029076331 YLFLREZEKBJEEY-CPCISQLKSA-N 511.017 3.770 50 10 KHGE BrC[C@@H]1CC[C@@H]2CN(c3ncc(I)cc3Br)C[C@@H]2O1 2273540145 ZVSSJZBQNUJSNA-QRTLGDNMSA-N 501.988 3.827 50 10 KHGE O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 13977221 ADUFEYXYXIRWAB-KPKJPENVSA-N 502.365 3.856 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644454 FJBRGASNICXCIP-CYBMUJFWSA-N 513.772 3.663 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 101602272 XCWGKDAHFUWHFT-OVVQPSECSA-N 539.932 3.703 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(=O)nc(N)[nH]c43)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 196041338 UVTZNLVSKDGHBT-RCCFBDPRSA-N 509.756 3.946 50 10 KHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(F)cc3)cc2OCC)cc1 254819206 OYWBXCIBKSTBIB-UHFFFAOYSA-N 507.518 3.722 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C=N[C@H]4C(N5C(=O)c6ccccc6C5=O)=NC=N[C@H]43)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 1074680596 RSALMWXDDHSQLZ-PHJWAJKZSA-N 641.874 3.804 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCNC(=O)c3ccccc3Cl)cc2OC)cc1OC 1772720694 WDFZMWFGIQIIKL-UHFFFAOYSA-N 539.972 3.855 50 10 KHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865710449 YHSDKCQFCOFOGP-SFHVURJKSA-N 517.395 3.987 50 10 KHGE COC1CC(CBr)(NC(=O)c2cc(Br)ccc2I)C1 1899800129 SUVDGFOAVRLVHR-UHFFFAOYSA-N 502.972 3.726 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CC(OCCCBr)C1 2141974348 WASZXIDJKRZKEZ-UHFFFAOYSA-N 502.972 3.680 50 10 KHGE Cc1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c(C)c1 13980976 SZBGQYBVZCGYOJ-UHFFFAOYSA-N 500.187 3.742 50 10 KHGE O=C(COc1ccc2ccccc2c1)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccc3ccccc3c2)CC1 100103682 LUVRNONYACFXAC-UHFFFAOYSA-N 568.630 3.552 50 10 KHGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101494249 YYHXVQQBZRUZRC-UHFFFAOYSA-N 567.606 3.711 50 10 KHGE O=C(CCCOc1ccccc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858955450 CWRJCRGWHDHPOQ-UHFFFAOYSA-N 531.518 3.687 50 10 KHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1ccc(Br)cc1I 2142284063 XVTUQSJDDAQCIO-ZJUUUORDSA-N 502.972 3.726 50 10 KHGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 2313864473 PNPDLTZBVVCODX-UHFFFAOYSA-N 503.205 3.870 50 10 KHGE COCCOc1ccc(C=C(C#N)C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 2331116392 WDDRKKFICXKTEL-NDEPHWFRSA-N 542.588 3.980 50 10 KHGE CCOc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2946104 ZDCBRPLVRIMSFF-CQABQFHHSA-N 516.646 3.651 50 10 KHGE biogenic Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCC(C)C 14034470 OOFIZMCRQJMPJC-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC)cc2)cc1Br 14041438 IZKCURDGQGQRTG-UHFFFAOYSA-N 521.437 3.926 50 10 KHGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14668678 VXMAWHZVKUKUMT-UHFFFAOYSA-N 519.421 3.534 50 10 KHGE NC(=O)Cn1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2Br)c2ccccc21 20533881 LBGMDMHTEFBHIE-XODNFHPESA-N 518.371 3.905 50 10 KHGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 35447471 DUFKYVWGYHTZKG-XLNRJJMWSA-N 501.612 3.923 50 10 KHGE CCOc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38608983 WNGVNUOXUJLIGG-LFVJCYFKSA-N 518.566 3.836 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(OC)c3)cc2OC)cc1 254293301 SNJFWRNOTZSXOB-UHFFFAOYSA-N 505.527 3.801 50 10 KHGE CC(CC(=O)Nc1ccc(Br)cc1)=NNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1084062038 CMPRMEQKHNHOEI-UHFFFAOYSA-N 535.464 3.679 50 10 KHGE C[C@@]1(CBr)COCCN1C(=O)c1cc(Br)ccc1I 2112712344 CKQMLHQTSRQGHR-CYBMUJFWSA-N 502.972 3.680 50 10 KHGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1ccc(Br)cc1I 2142278731 HEEAHVBNYLVDOM-UFBFGSQYSA-N 502.972 3.584 50 10 KHGE CN(C[C@@H](Br)C1CCCCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2167652702 UROPNQYGKRZIII-WIYYLYMNSA-N 503.434 3.616 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185295804 DDAYFGAFDYYQCK-ZWKOPEQDSA-N 514.983 3.821 50 10 KHGE COc1cccc(C(=O)NCC(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)c1 2295914086 NSYKKIKUNPMQFT-UHFFFAOYSA-N 526.343 3.550 50 10 KHGE O=C(NN=Cc1ccc2c(c1)OCO2)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 2296405763 YVJMRVMBAHWFHS-UHFFFAOYSA-N 536.338 3.828 50 10 KHGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821369 FGVFMADRRQJUEM-QAPCUYQASA-N 520.433 3.612 50 10 KHGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc(Br)c1O 2320727268 COWBRCHQQWBXQC-UHFFFAOYSA-N 513.373 3.752 50 10 KHGE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1921417 UHNXFYHYFWFKGH-QHCPKHFHSA-N 543.645 3.662 50 10 KHGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]3OC4(CCCCC4)O[C@H]23)cc1 20615589 KHEGTAWXWOUTGY-UFEHMYJYSA-N 528.646 3.990 50 10 KHGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 100136042 GWLVIACXRFVIDS-UHFFFAOYSA-N 545.253 3.633 50 10 KHGE COC(=O)[C@@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 106404042 KXTNIKNREDJJSO-HUUMMWPTSA-N 583.387 3.956 50 10 KHGE CCOC(=O)C1=c2sc(=Cc3ccccc3C(F)(F)F)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 252671090 MRBSHWSPUNLABU-IBGZPJMESA-N 565.495 3.938 50 10 KHGE COc1cc(OC)cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858666880 WFJULXZPGZQUMW-UHFFFAOYSA-N 526.596 3.717 50 10 KHGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccc(CCl)c1 2140764732 RNKNAVSTYZUERZ-UHFFFAOYSA-N 506.065 3.902 50 10 KHGE C[C@H](CBr)N1CCN(C(=O)c2cc(I)ccc2Br)CC1 2169358067 KEHLIBXMFIQQRC-SNVBAGLBSA-N 516.015 3.595 50 10 KHGE CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 102531507 FWWDYSTTZBLGKL-VHHJQRMMSA-N 512.242 3.528 50 10 KHGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)c1-c1ccccc1 254866582 NFDMZIQAOHHRFB-UHFFFAOYSA-N 519.319 3.686 50 10 KHGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc3c(cc2Br)OCO3)cc1 1083964156 AQVPFYMPEYOMTC-UHFFFAOYSA-N 558.454 3.870 50 10 KHGE O=C(N/N=C(/CNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)c1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1 1614018918 NQGIWHJDENNPLC-CGWRFCSXSA-N 563.430 3.920 50 10 KHGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cc(Br)c(O)c(Br)c3)ccc12 1873792488 FBVFNFSGMWCQLO-GZIVZEMBSA-N 510.138 3.861 50 10 KHGE CC1=C(Br)C(=O)[C@@](C)(Br)[C@H](Br)/C1=N/S(=O)(=O)c1ccccc1 102478613 OPWIFPBMJSZQCX-XAXRJAIVSA-N 514.033 3.985 50 10 KHGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1 254479028 ITPKEBMUDISURH-UHFFFAOYSA-N 523.611 3.822 50 10 KHGE COc1ccc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 254481673 GYRIFJMGLOVCIL-UHFFFAOYSA-N 541.626 3.683 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc3c(cc2Br)OCO3)cc1OC 725402662 WALONHUXZSBCMJ-UHFFFAOYSA-N 604.479 3.579 50 10 KHGE Cn1cc(Br)c(C(=O)Oc2cccc(C=NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)n1 1084171923 PHIGBQLZIVMNQD-UHFFFAOYSA-N 506.700 3.727 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccnc3Cl)cc2)cc1 1859001814 RGWNAGFWSBQJKB-UHFFFAOYSA-N 516.004 3.791 50 10 KHGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1cc(I)ccc1Br 2190185502 NERCCPIUIMCKOF-KBPBESRZSA-N 514.983 3.870 50 10 KHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(Br)c1 100080507 YAMISOSVIYMYDH-UHFFFAOYSA-N 547.475 3.991 50 10 KHGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 725393396 DNWKOYKNJSTWBF-UHFFFAOYSA-N 530.444 3.841 50 10 KHGE CN1CCC[C@H]([C@@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2089531316 LRPSLNDIDRTEHJ-NEPJUHHUSA-N 523.028 3.914 50 10 KHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)CC[C@H](CBr)CC1 2178580802 HXFMRTWRZYDEFJ-WEHONNDLSA-N 503.434 3.522 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(C)c(C)c1B(O)O 2283967536 DXIRZTUPJUDHMG-QMTYFTJSSA-N 520.460 3.614 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2285023080 CQWGUKZPBXFENT-IQGLISFBSA-N 520.460 3.901 50 10 KHGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC(C)=O 2297551572 SBBWGJJXEJENHA-UHFFFAOYSA-N 507.240 3.679 50 10 KHGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCC(=O)N1CCCCC1 256028431 LSMHKKQFOLWTLI-UHFFFAOYSA-N 525.656 3.847 50 10 KHGE Nn1c(SCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nnc1-c1ccc(Br)cc1 1084103116 KKOKFMYLOYLMOU-UHFFFAOYSA-N 605.110 3.894 50 10 KHGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084412886 BIJPUXGGFPYKGB-UHFFFAOYSA-N 511.600 3.757 50 10 KHGE CC(C)C1=CC(=NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@](C)(Br)[C@H](Br)C1=O 2053511080 CYMLLQJWPBLHBV-HZPDHXFCSA-N 508.188 3.807 50 10 KHGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(Br)cc1I 2207261767 NAPGCMVFVYQGAI-MNOVXSKESA-N 516.015 3.593 50 10 KHGE N#C/C(=C/Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1nc(-c2cccc(Br)c2)cs1 2204707 XDRLARAVRVABFO-RAXLEYEMSA-N 503.407 3.511 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1Br 14647850 XVYIOIPQCDEMRR-UHFFFAOYSA-N 515.227 3.950 50 10 KHGE COc1ccc(/C(C)=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)c(OC)c1 33304065 FRKFTMZGAAYUJV-YDZHTSKRSA-N 502.325 3.773 50 10 KHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)o1 100086791 ZMWWLRWEAMZBSB-AATRIKPKSA-N 531.226 3.536 50 10 KHGE COc1c2c(c(Br)c([C@H]3ON=C(C(=O)NN=Cc4ccc(F)cc4)[C@@H]3C)c1OC)OCO2 254874910 SJYBJZLTBKRSMK-QFYYESIMSA-N 508.300 3.548 50 10 KHGE CO[C@@]1(CBr)CCN(C(=O)c2cc(Br)ccc2I)C1 401491075 GSZMABHZHVFNFN-CYBMUJFWSA-N 502.972 3.680 50 10 KHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 2313892260 HUBPKSNNBOVBTQ-UHFFFAOYSA-N 512.813 3.615 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC([C@H](F)CBr)CC1 2364202923 YMTOPLHPZUIQIZ-LJQANCHMSA-N 503.434 3.618 50 10 KHGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629836 LQOLAEBUHAOMMC-QGZVFWFLSA-N 506.397 3.811 50 10 KHGE O=C(O)COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 58889153 KIMDPSOZZOTOPH-QEPAMEFZSA-N 514.170 3.639 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)ccc1C(C)C 100203359 VPNUOZUZQVJTGZ-UHFFFAOYSA-N 538.464 3.621 50 10 KHGE COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869870 ONPVJQLSZZZZKJ-AMVVHIIESA-N 600.422 3.583 50 10 KHGE O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NNc1nc2ccccc2c2nc(-c3ccccc3)nn12 101475502 IJOPAQANXLZPEB-UHFFFAOYSA-N 538.587 3.656 50 10 KHGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 101483899 UBTYBKJASOFJQO-UHFFFAOYSA-N 564.422 3.678 50 10 KHGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 206744088 SQRJDHWDVCZYGV-JXAWBTAJSA-N 505.483 3.827 50 10 KHGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4Br)c(C)c32)cc1 1772745867 LUNWEOLMIBJOKK-UHFFFAOYSA-N 539.386 3.904 50 10 KHGE CN1CC[C@H]([C@@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2029056409 ZCUPUTQWFLWDGT-MNOVXSKESA-N 509.001 3.524 50 10 KHGE C[C@H](Br)COCc1cn(-c2ccc(Br)cc2I)nn1 2278386769 JMYLLCBHPQLCKV-QMMMGPOBSA-N 500.960 3.934 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1I 14041579 IEMPYAIIWBZUNJ-UHFFFAOYSA-N 516.335 3.996 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 14662142 YVXMWNQZZCHNEF-UHFFFAOYSA-N 508.438 3.721 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cn1ccc2ccccc21 14776633 SGTMNROYFJYTAP-UHFFFAOYSA-N 503.422 3.918 50 10 KHGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40658397 OYGCWQSXDDQWKQ-UHFFFAOYSA-N 501.297 3.825 50 10 KHGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cc(=O)n2nc(C)sc2n1 96484386 RLFUSTPUSDUOCP-WQRHYEAKSA-N 517.567 3.991 50 10 KHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602182 ZLXBHEHVHRBIAT-PCLIKHOPSA-N 513.894 3.596 50 10 KHGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 110557903 NMAGBQRUEIWHQY-QXHVWWCLSA-N 595.747 3.560 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748507 DOTUZHFSHZTIQP-UHFFFAOYSA-N 567.374 3.561 50 10 KHGE O[C@H](CCl)c1cc(I)cc(I)c1I 1951723020 QYBHUGXXJHIBBF-SSDOTTSWSA-N 534.300 3.773 50 10 KHGE COc1cc(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1OC 2313567942 QBOQGYYKQREIOI-UHFFFAOYSA-N 503.340 3.564 50 10 KHGE O=C(NCC(F)(F)C(F)(F)CI)c1cccc(F)c1I 2361684475 OTBUWXYCNOOCFD-UHFFFAOYSA-N 518.989 3.866 50 10 KHGE Cc1cc(Br)c2c(c1)/C(=N/NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)C(=O)N2C 97997074 YLOYJDPDDDANHZ-ITBLNYAJSA-N 562.380 3.934 50 10 KHGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccc(F)cc3)[C@H]2C)c(OC)c2c1OCO2 263629803 IVINAXBERJFNBP-HWPZZCPQSA-N 508.300 3.548 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cc(Br)c(N2CCOCC2)o1 1084105282 FGEXGVWZXSKPKZ-UHFFFAOYSA-N 566.044 3.933 50 10 KHGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)cc2)cc1 1084240397 LTXSUBXFJFNGRX-UHFFFAOYSA-N 560.632 3.947 50 10 KHGE O=C(CCCO)NN=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 1084394203 OKRHOMGZHHXVKJ-OKHMJZBSSA-N 558.432 3.874 50 10 KHGE CCOc1ccccc1N(CC(=O)NN=C(C)c1cccc(NC(C)=O)c1)S(=O)(=O)c1ccccc1 1084632369 QITDNVWSFRIXOJ-UHFFFAOYSA-N 508.600 3.779 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746262 TXDVZESDKRHXQB-UHFFFAOYSA-N 509.906 3.695 50 10 KHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)[C@@H](Cc4ccccc4)c4ccccc4)c(=O)c23)C1 1865851900 JRGMWGYHCQBBEZ-GCJKJVERSA-N 500.624 3.757 50 10 KHGE O=C(N[C@H]1CCOC[C@H]1CBr)c1ccc(Br)cc1I 2142278728 HEEAHVBNYLVDOM-PELKAZGASA-N 502.972 3.584 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2283962126 GXKAKJXJPUVBNH-CUAXAMRHSA-N 520.460 3.901 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2285015072 HFGYNMKSYRJHEW-QHCPKHFHSA-N 508.330 3.537 50 10 KHGE O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1cccc(I)c1 3168609 SKTHKDRGJDHVNG-RGVLZGJSSA-N 500.134 3.923 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(O)cc1 58885482 CTXFDPDVNWIWCS-PCLIKHOPSA-N 516.417 3.538 50 10 KHGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1I 100210776 RBJLFOQTSXCSIC-UHFFFAOYSA-N 562.227 3.790 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 101472176 GKELOOSGYBEBKO-UHFFFAOYSA-N 532.388 3.536 50 10 KHGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217184941 PXXSPNVZCPAZOA-ORKPOYISSA-N 533.050 3.765 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccncc3)n2-c2ccccc2)cc(OC)c1OC 254303368 HCAUVWWKQMQXNH-UHFFFAOYSA-N 504.572 3.598 50 10 KHGE C[C@@H](CBr)N1CCN(C(=O)c2ccc(I)c(Br)c2)CC1 2169364671 RTBLUDLYMNKKPP-JTQLQIEISA-N 516.015 3.595 50 10 KHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 2296729521 UTXXJQFEMQZOJB-UHFFFAOYSA-N 560.657 3.899 50 10 KHGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)oc12 2314450877 ZOQCMQCWASLNJG-HXUWFJFHSA-N 502.552 3.504 50 10 KHGE N#C/C(=C\c1cc(Br)c(I)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 59105008 LKWJBGSTHJLXFI-OGVGEFCHSA-N 508.117 3.854 50 10 KHGE COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 59335382 IYQAKWXMWIIBIR-NVNXTCNLSA-N 506.296 3.706 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100079406 HHPHASGVVRZQPU-UHFFFAOYSA-N 565.671 3.653 50 10 KHGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212945 RKLJLWFSWSGLJR-UHFFFAOYSA-N 600.491 3.962 50 10 KHGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@H]1C[C@H]1Br 1991493214 ZQYXBVVQCIRCDA-XMDBHEJHSA-N 536.444 3.955 50 10 KHGE C[P@@]1(=O)C[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)[C@@H](Br)C1 2177847184 LWWMOYBKRKJTOW-GJPGNPISSA-N 509.982 3.629 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178083433 RTNXDZZAATWQLT-WLTAIBSBSA-N 514.983 3.536 50 10 KHGE COC(=O)c1[nH]c2ccc(F)cc2c1C=NNC(=O)COc1ccc(C(=O)NCc2ccccc2)cc1 2321698144 ORRSOCXBVLNTDU-UHFFFAOYSA-N 502.502 3.553 50 10 KHGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1OC 40812169 BBJNKHQAFMGXFQ-ZTKZIYFRSA-N 520.542 3.956 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1Br 100080773 DTUCLHSJNDVMSK-UHFFFAOYSA-N 596.095 3.697 50 10 KHGE O=C(NN=Cc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084230750 DSJLGKXGULICSD-UHFFFAOYSA-N 529.254 3.763 50 10 KHGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccccc2)c1 1084238008 OXVAQCOYYOQOJT-UHFFFAOYSA-N 532.416 3.812 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1858997882 YYSKCTYCULORJY-UHFFFAOYSA-N 525.568 3.651 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)C2CCC(N3CCN(C)CC3)CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867282911 GAISRTXUTNBYDX-SYHYUZRHSA-N 563.724 3.657 50 10 KHGE CC1(C)OC[C@H](NC(=O)c2cc(Br)ccc2I)[C@@H]1Br 1911025233 GHRBXSMKWAPFJZ-QWRGUYRKSA-N 502.972 3.724 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C12CCC2 2350364403 XFEZCXAILUVUQZ-JOCHJYFZSA-N 505.703 3.869 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)ccc1Br 100161648 XQUVCGBIHBWMEO-UHFFFAOYSA-N 558.454 3.930 50 10 KHGE COCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 100200679 BUWSPRWDFWZSDF-UHFFFAOYSA-N 533.206 3.961 50 10 KHGE O=C(CCC(=O)Nc1ccc(I)cc1)N/N=C/c1cccc(Br)c1 1949327 CVSBLTUGCVAVGM-RGVLZGJSSA-N 500.134 3.923 50 10 KHGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)c(Br)c1 14654227 UPPQIETWFARXFW-UHFFFAOYSA-N 508.438 3.815 50 10 KHGE CC(C)COc1cccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2cccc(OCC(C)C)c2)C=3C#N)c1 35088465 ASXAEGRPNGQYGQ-ZCAIJAMPSA-N 526.662 3.931 50 10 KHGE CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2Br)ccc1OCC(N)=O 100225651 DWPYOTVNWRMGQS-CCVNUDIWSA-N 539.386 3.728 50 10 KHGE O=C(C[S@@](=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12 100989218 YDDUJSKUUCOSLF-QNGWXLTQSA-N 577.427 3.571 50 10 KHGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccc(CN4CCOCC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253624532 MMHLVMZAJQWPKO-ZIPLBPTISA-N 572.699 3.666 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(C)cc2C)cc1 1083901437 USNSUFURXMKOQV-MHZLTWQESA-N 592.718 3.631 50 10 KHGE Cc1c(Cl)cccc1N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 1084598214 TXZBGCQCXRHOJT-UHFFFAOYSA-N 547.008 3.721 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CC[C@@H](OCCBr)C1 2109128446 PKYUPWQFEWOXEX-SNVBAGLBSA-N 502.972 3.680 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1cccc(Cl)c1 100081410 DQPWIKJLJKANNN-UHFFFAOYSA-N 535.645 3.888 50 10 KHGE Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H](n3ccc(/N=C/N(C)C)nc3=O)C[C@H]2O[Si](C)(C)C(C)(C)C)cc1 504145860 ZUJSQQXFSLCHQA-CDMPMYDLSA-N 550.754 3.857 50 10 KHGE in-vitro Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)N3CCCCC3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 1084307897 FODYNOUSOIJROM-UHFFFAOYSA-N 536.654 3.750 50 10 KHGE OC[C@H](Br)c1cc(I)cc(I)c1I 1951668831 YUZSISSJKFWXAC-LURJTMIESA-N 578.751 3.929 50 10 KHGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1ccc(I)c(Br)c1 2206496611 AURDCKUEXOHJMX-RYUDHWBXSA-N 514.983 3.869 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2268652474 URMXITXPKWYXLY-IVCQMTBJSA-N 506.795 3.912 50 10 KHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 9826216 KUUUEBVQANSDNJ-ZDUSSCGKSA-N 500.404 3.512 50 10 KHGE Cc1ccc2c(c1)/C(=N\NC(=O)CCCC(=O)N/N=C1/C(=O)N(CC(C)C)c3ccc(C)cc31)C(=O)N2CC(C)C 100870085 PBVZIXIZMBPOEG-FFUAXAOHSA-N 558.683 3.820 50 10 KHGE CN(C)c1ccc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1Br 252635062 WUDJDDKEDSSTON-UHFFFAOYSA-N 522.252 3.738 50 10 KHGE O=[N+]([O-])c1ccc(-n2cnc(I)c2I)cc1CBr 385572050 XVAJNPIEWXXMSD-UHFFFAOYSA-N 533.889 3.885 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCC(=O)O)c(I)c2)cc1 725431213 SZVGULUDIJHQHR-SFHVURJKSA-N 652.223 3.722 50 10 KHGE CCOc1ccccc1N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 1084419079 AYDFABWCQXGXRV-UHFFFAOYSA-N 516.963 3.993 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)s2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859007782 WQOWZRGSPJHFOZ-UHFFFAOYSA-N 527.939 3.899 50 10 KHGE CO[C@@]1(CBr)CCN(C(=O)c2ccc(Br)cc2I)C1 2142289004 NQCUOHDZAJUKBZ-CYBMUJFWSA-N 502.972 3.680 50 10 KHGE O=C(O)COc1ccc(Br)cc1C=NNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1 2296474108 XNMCDQCLWQPMGL-UHFFFAOYSA-N 522.355 3.834 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)C1 2346643396 DRJWGEKVDKLGLO-VVBPWWLESA-N 505.703 3.725 50 10 KHGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041068 QJGKVLQQKGQPRX-UHFFFAOYSA-N 507.612 3.982 50 10 KHGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082709 RRNMGPAESSVQJN-UHFFFAOYSA-N 597.285 3.853 50 10 KHGE O=C(NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1ccc(Br)cc1 101067543 QVGLVUNMRGUJQA-UHFFFAOYSA-N 522.319 3.814 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(C)c1C 105151390 ZZBFCAUCVBVBGI-YEEYNWEUSA-N 578.484 3.662 50 10 KHGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 110558270 BBZRGCDQSJNBAE-HYVVTVMMSA-N 531.638 3.546 50 10 KHGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C 150449403 WRCRIBZAXPFUBP-QOMWVZHYSA-N 649.733 3.904 50 10 KHGE Cc1cc(C(=O)NN=Cc2cc(C)n(-c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)c2C)c(C)o1 254822030 XCFWNLBINMYOLZ-UHFFFAOYSA-N 553.685 3.689 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(Br)c2)cc1OC 1084602018 MEDUGRIZEWVSJB-UHFFFAOYSA-N 560.470 3.850 50 10 KHGE O=C(CCSSc1ccccn1)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCSSc1ccccn1 2069468875 UPSAGJKLQVSHFD-UHFFFAOYSA-N 939.251 3.853 50 10 KHGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@H]3CCCO3)c2)CC1 2314476990 ZJNGYYXMKIVCQY-MUUNZHRXSA-N 617.728 3.705 50 10 KHGE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2349650238 OHFGGNCVJLXWDY-DMPWYTOCSA-N 507.719 3.971 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC(F)(F)[C@H](CBr)C1 2364200985 ACIILISDGCIPJH-OAHLLOKOSA-N 507.397 3.525 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC(NC(=O)OC(C)(C)C)(C(F)(F)F)C1 2377107766 ITOCJGWPHPAWTB-UHFFFAOYSA-N 533.635 3.925 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=O)COc1cccc2ccccc12 12488410 OPMYVTXWWRNNTA-UHFFFAOYSA-N 508.166 3.970 50 10 KHGE O=C(CCCCC(=O)NNC(=O)Cc1cccc2ccccc12)NNC(=O)Cc1cccc2ccccc12 100064728 GNKFKCFBNPBLRP-UHFFFAOYSA-N 510.594 3.633 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869728 ZATLUTOLONSIAY-DPNNOFEESA-N 609.632 3.618 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 150387653 FQYMBWXLECGQBH-UHFFFAOYSA-N 627.227 3.896 50 10 KHGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150441183 OQXYSLCLJFOKIX-FABQOPTDSA-N 639.658 3.626 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1084057790 XZTOWQAZPJUBTI-UHFFFAOYSA-N 554.581 3.522 50 10 KHGE CN1CCC[C@@H]([C@@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2142285947 WVIFYTDZGGTXDS-RYUDHWBXSA-N 523.028 3.914 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2269541058 BQQHDYPBNLNDSY-RUZDIDTESA-N 506.795 3.912 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2285028733 CQWGUKZPBXFENT-CJAUYULYSA-N 520.460 3.901 50 10 KHGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1C 10154393 VHKITIAYXRDUKU-OAHLLOKOSA-N 508.438 3.956 50 10 KHGE O=C(OC[C@@H]1O[C@H](Br)C(=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 100312725 UQVPLYNOGBTXPR-XGAJZPNHSA-N 553.361 3.984 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cnn(CC)c1 105152173 YAEZNMVSJBRCKH-SWKNLOBNSA-N 564.457 3.528 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 195761109 KHVLHRYSOPSVJR-NSAZKJPHSA-N 509.756 3.623 50 10 KHGE CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 199853536 ACUCNTBNWRWVMU-AIPQGOBWSA-N 831.096 3.514 50 10 KHGE in-vitro CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OC(=O)OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 1084046550 VRSZVQWRMZMVMF-UHFFFAOYSA-N 555.609 3.893 50 10 KHGE Cc1ccc2c(c1)C(=NNC(=O)CCCCC(=O)NN=C1C(=O)N(C(C)C)c3ccc(C)cc31)C(=O)N2C(C)C 1772720595 SYRRTQVBSBVJMY-UHFFFAOYSA-N 544.656 3.715 50 10 KHGE O=S(=O)(Nc1ccc(Br)cc1I)N1CCC(Br)CC1 2231449100 ZGSGJXYVTXDOQL-UHFFFAOYSA-N 524.016 3.570 50 10 KHGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 2296720909 UUXGJQDUHKEVNV-UHFFFAOYSA-N 548.559 3.839 50 10 KHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C)cc1Br 2314795818 UMXDAISYWXTAEO-UHFFFAOYSA-N 515.360 3.516 50 10 KHGE COc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1I 100060364 KFKUDNTUYZPFLH-UHFFFAOYSA-N 533.160 3.519 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 100113001 JBWPCEWDZCUNKD-HNNXBMFYSA-N 526.442 3.739 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 100115411 HGXBNTZTGWUABV-UHFFFAOYSA-N 535.645 3.508 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1Br 100161633 ZQEHVPFUSVELRS-UHFFFAOYSA-N 544.427 3.865 50 10 KHGE CCCCCCOc1ccc(C(NC(=O)CI)NC(=O)CI)cc1OC 100917011 ILQIRWDFCDVQFS-UHFFFAOYSA-N 588.224 3.755 50 10 KHGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101340970 MIKFVUFMUFCSOW-OEAKJJBVSA-N 511.494 3.603 50 10 KHGE COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2OC(=O)c2ccccc2Cl)sc2c1CCC2 103573757 KOLKFOYUIIXQMB-UVHMKAGCSA-N 525.970 3.985 50 10 KHGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)NCc3ccc(CN4CCOCC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253624531 MMHLVMZAJQWPKO-SLZUHKBQSA-N 572.699 3.666 50 10 KHGE COc1ccc(C=NNC(=O)c2cc(F)ccc2NS(=O)(=O)c2ccc(Cl)s2)c(OCC(=O)O)c1 1081159538 IMZFNLSHVMYPTR-UHFFFAOYSA-N 541.966 3.577 50 10 KHGE O=C(COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 1084349116 ZAGHEUULRCATDF-UHFFFAOYSA-N 598.725 3.808 50 10 KHGE BrC[C@@]12CCCO[C@@H]1CN(c1ncc(I)cc1Br)C2 2230625561 ORUZUPCKKSBMPI-DGCLKSJQSA-N 501.988 3.829 50 10 KHGE COc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314619926 HEQCSMKQBVXLNZ-UHFFFAOYSA-N 518.566 3.755 50 10 KHGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C)c(Br)c1 13977681 IDFMSZXECSRKAN-UHFFFAOYSA-N 500.187 3.688 50 10 KHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 14660471 PZACMVUXPSGKER-UHFFFAOYSA-N 521.437 3.780 50 10 KHGE Cc1cc(I)ccc1NC(=S)N[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl 100917371 QLNUDCJXEYGYPP-SNVBAGLBSA-N 515.031 3.937 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/Nc1c(Br)cc([N+](=O)[O-])cc1Br 101235263 WMNWKHRETARJTI-ACLQVGRQSA-N 540.168 3.803 50 10 KHGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 101334718 WAEIHENUHLKVGH-WPWMEQJKSA-N 585.686 3.808 50 10 KHGE COc1cc(/C=N\NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@H]32)cc(I)c1O 245343455 PGKNQBWYPMQJNS-ORMCAQNGSA-N 628.460 3.701 50 10 KHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743836 LTYXCEGCNYKPQN-UHFFFAOYSA-N 523.387 3.825 50 10 KHGE O=C(/C=C/c1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859007857 PQBVQMOWDDPKJV-MDWZMJQESA-N 513.503 3.583 50 10 KHGE CN1CCN(C2CCC(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)CC2)CC1 1867285344 XHUKMVVQUHNBMC-QVKCHMKDSA-N 523.678 3.871 50 10 KHGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1956234396 RBEYJFRPWZVBRA-AOMKIAJQSA-N 511.413 3.626 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2378007688 UKUXCMGRWILLIM-UZFJHSOTSA-N 519.730 3.973 50 10 KHGE CCn1c(SCC(=O)NN=Cc2ccccc2C(F)(F)F)nnc1-c1cc(C(F)(F)F)nn1C 254485345 QXWXRLWBPFBOFB-UHFFFAOYSA-N 505.448 3.979 50 10 KHGE Cn1ncc([C@H](Br)c2cc3nc(O)[nH]c3cc2Br)c1I 379208295 LOHRJSLGGFZJIT-SNVBAGLBSA-N 511.943 3.853 50 10 KHGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc2c(c1)OCO2 1084003281 HQIZMJLRCTWXOQ-FRKPEAEDSA-N 520.323 3.993 50 10 KHGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc(OC)c1OC 1772719993 BMPYEFTZWJELCY-UHFFFAOYSA-N 524.442 3.512 50 10 KHGE CC/C(=C\C(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867115542 HIHVABIOIUEUPT-NRJHKNTJSA-N 504.406 3.940 50 10 KHGE CSCC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867250930 LRTTZMTWCYFFQA-MOPGFXCFSA-N 560.503 3.934 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)c2ccc(CCCl)cc2)C1 2287601682 RXWDWQNZBAZTEJ-UHFFFAOYSA-N 518.076 3.603 50 10 KHGE O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1nonc1C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 103750858 ROCOEDQJLQRSBJ-QVKIOAGYSA-N 532.127 3.622 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 164214251 QQONUZJWRDDTDB-NUGSKGIGSA-N 644.262 3.729 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3c2OCCO3)c2ccc(C)cc2)cc1Br 725383120 WPTUVYHECBXRDU-UHFFFAOYSA-N 574.453 3.883 50 10 KHGE C=CCOc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 1084160743 XFPKFVUYVKLMFN-UHFFFAOYSA-N 520.611 3.551 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(C(=O)O)cc1 1084215338 SFADVPGUPFBQAB-LZYBPNLTSA-N 506.296 3.572 50 10 KHGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCC(=O)OC 1084303288 BHTGQORNVAKPFM-UHFFFAOYSA-N 514.170 3.926 50 10 KHGE CCOc1cc(C=NNC(=O)CCNC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720639 UVUDCDGWNBSBLA-UHFFFAOYSA-N 519.554 3.592 50 10 KHGE Cc1cc(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282840096 LCKFPBCRRCQAKO-UHFFFAOYSA-N 538.588 3.540 50 10 KHGE O=C(NCC(F)(F)C(F)(F)CI)c1cccc(I)c1 2336537210 UPVHLAHTLICWMH-UHFFFAOYSA-N 500.999 3.727 50 10 KHGE BrCc1nnc2n1CCN(Cc1ccc(I)c(Br)c1)C2 2377323952 KCLZLKYJAJIKBY-UHFFFAOYSA-N 511.987 3.556 50 10 KHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14660421 ZLNLINSQPDPRNZ-UHFFFAOYSA-N 521.437 3.924 50 10 KHGE O=C(COc1ccccc1[N+](=O)[O-])N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 100474663 JXSAKRDYUNSIPG-VYIQYICTSA-N 523.343 3.846 50 10 KHGE COCCN(CCOC)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 100921989 RDKDJTLPEOBHRZ-XFBWCDHKSA-N 520.100 3.794 50 10 KHGE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)c1ccccc1Br 103919633 AGVNURNPTRNAGA-XDHOZWIPSA-N 528.388 3.533 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1OC 254295290 NARRDXFIWRRDDU-UHFFFAOYSA-N 532.578 3.824 50 10 KHGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)cc3)cc2)cc1 254401980 GRJHLAKNOODNEY-UHFFFAOYSA-N 503.555 3.973 50 10 KHGE CN(c1ccc(C(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 254443454 ZSNJPCRDVOEWGE-UHFFFAOYSA-N 523.611 3.996 50 10 KHGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCC#N 1084586203 KKLJKPBLEDNZGQ-XMHGGMMESA-N 542.377 3.848 50 10 KHGE CCOc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)c1 1858959032 LMVPIJZQUKCNPN-UHFFFAOYSA-N 517.491 3.540 50 10 KHGE Cc1c(S)c(C)c(B(O)O)c(C)c1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887515965 SSJDCORLSYSWNQ-UHFFFAOYSA-N 516.472 3.647 50 10 KHGE O=C(NCCN1CCC(Br)CC1)c1ccc(Br)cc1I 2207271266 HFCYPLDYBJUHLD-UHFFFAOYSA-N 516.015 3.643 50 10 KHGE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2351484812 JKFXAAUTFITHGT-OPAMFIHVSA-N 507.719 3.973 50 10 KHGE COc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1I 13979935 IUFMOMCBKYOZNX-UHFFFAOYSA-N 502.308 3.807 50 10 KHGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCC(C)C 14667334 ZPVZUCOYMHEGCU-UHFFFAOYSA-N 508.438 3.815 50 10 KHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814549 GMGNDMQCQSVYEP-BYNJWEBRSA-N 515.570 3.858 50 10 KHGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(O)c(I)c1 725404946 UHFQGEFZJRYXEG-OAHLLOKOSA-N 550.134 3.565 50 10 KHGE Cc1ccc(S(=O)(=O)C=C(CCl)N2CCN(C(CCl)=NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 2294347178 TYGIELWYAPFTML-UHFFFAOYSA-N 544.526 3.801 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2377092462 SOLNNQQOYFJCFE-YGKZAACZSA-N 519.730 3.973 50 10 KHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC)c(Br)c2)cc1 14771043 NPEOZOGFOYOKOW-UHFFFAOYSA-N 521.437 3.926 50 10 KHGE CCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)CCCO)(c5ccccc54)[C@@H]3C2=O)cc1 59382409 WQLZVODARQYNNY-ZUAXWITJSA-N 523.589 3.511 50 10 KHGE COc1ccc(C(=O)NCCCC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 100869953 ZSKJJZZCUIIFIL-KCSSXMTESA-N 579.606 3.609 50 10 KHGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)cc1 1084046585 HLSNRLVUZSKGAU-UHFFFAOYSA-N 588.686 3.667 50 10 KHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 1772719740 RBEYAXNNOSFQRZ-UHFFFAOYSA-N 563.607 3.991 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2371394192 PBXUHWUJJKRVIH-HKARXFIJSA-N 519.730 3.973 50 10 KHGE O=C(CN(/N=C/COc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21OC(=O)c2ccccc21)C(=O)CN1C(=O)C=CC1=O)OCc1ccccc1[N+](=O)[O-] 150343755 ZCVMMLGSUDDYSY-FFXJNXAGSA-N 718.631 3.730 50 10 KHGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 254573535 RLGXDCXIWJRYTE-MUUNZHRXSA-N 545.621 3.970 50 10 KHGE COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1OC 254898969 YPLMHEAZVXVOCV-UHFFFAOYSA-N 586.487 3.908 50 10 KHGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@@H](CBr)O1 721505505 BNBKRWIROKMATE-PSASIEDQSA-N 502.972 3.678 50 10 KHGE O=C(NN=Cc1c[nH]c2ccccc12)c1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 1772743331 IWUJAWFQNYVRRZ-RUZDIDTESA-N 515.589 3.633 50 10 KHGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CC2(CN(Cc3ccccc3)C2)C1 2179827307 CSUPVJWZQYJMEX-UHFFFAOYSA-N 518.246 3.990 50 10 KHGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1cc(I)ccc1Br 2206484509 JGFOBRYWHIYVPN-VXGBXAGGSA-N 514.983 3.869 50 10 KHGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cn1ccc2ccccc21 14776667 YNYFQMXSAOMGKO-UHFFFAOYSA-N 503.422 3.774 50 10 KHGE COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCc4cc(OC)c(OC)cc4[C@@H]3C)c3ccccc32)cc1 20112814 PGRFDAFANNGCEW-BGZRZLJXSA-N 514.582 3.770 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2ccc(F)cc2)c(Br)c1 33561887 SKLBRERMRBSXMO-WDZFZDKYSA-N 508.413 4.000 50 10 KHGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccc(OC)cc4)cc3OC)nc2s1 96484384 IJFPHBQGLSMZHG-BOPFTXTBSA-N 517.567 3.855 50 10 KHGE COc1ccc(/C=C/C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1OC 100065927 HRHVNMMXUVHQTA-FNORWQNLSA-N 528.197 3.777 50 10 KHGE O=C(CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)NNC(=O)c1cccs1 312134408 NZWFZHVSDPMSEP-NRFANRHFSA-N 539.635 3.624 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCCN1CCOCC1 1865687193 LRKGZIGYBIZIEP-SANMLTNESA-N 554.022 3.970 50 10 KHGE O=C(N[C@H](CCS(=O)(=O)C[C@H]1C[C@@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1991497647 RNSYCHFSMBBQBW-ZMPRRUGASA-N 536.444 3.957 50 10 KHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)c1nc3cc4c(cc3nc12)OCO4 100947399 RGJUZGDOJALPIA-RPBOFIJWSA-N 523.387 3.911 50 10 KHGE O=C(CSCc1ccccc1Cl)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 104999500 CXTJNTVIBCXJJU-KRUMMXJUSA-N 533.009 3.737 50 10 KHGE ClCc1csc(CCOCCn2cnc(I)c2I)n1 385246322 RCWKMWNAAHWYFX-UHFFFAOYSA-N 523.565 3.547 50 10 KHGE C#CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 1084011914 OHOCXDWTUYOBAT-FQEVSTJZSA-N 536.366 3.674 50 10 KHGE COc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 1084116814 MLUWBHQGXIGMHB-UHFFFAOYSA-N 532.416 3.812 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2207264159 BREIYHSBVMULEM-YFKFIEJBSA-N 514.983 3.536 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 13976783 WKOQHTHHQOUWQX-UHFFFAOYSA-N 516.417 3.644 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 100081595 ROFKLYVPWIPHHK-UHFFFAOYSA-N 580.642 3.796 50 10 KHGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1C 103071548 CVGJWONHDMULGY-ONUIUJJFSA-N 548.665 3.651 50 10 KHGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1ccccc1 110556613 HEJUKXCKDLCHBL-ZXVVBBHZSA-N 560.657 3.899 50 10 KHGE CN1C(=O)C(=NNC(=O)COc2c(Br)cc(Br)cc2Br)c2ccccc21 252619888 LTQQDMIHRWDIRK-UHFFFAOYSA-N 546.013 3.850 50 10 KHGE C[C@@H](Oc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1)C(=O)O 1084042868 FDBZUGYJOQVWCF-LLVKDONJSA-N 500.143 3.593 50 10 KHGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OC 1084428178 INKUYRSULWVIIR-UHFFFAOYSA-N 529.546 3.634 50 10 KHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(=O)c23)C1 1860771952 NACKSXZNVZAWEY-NWDGAFQWSA-N 509.415 3.677 50 10 KHGE O=C(CN1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O)NCCCBr 1865895298 RPMIMILQAPBKFR-UHFFFAOYSA-N 828.746 3.602 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Br)cc2)Cc2ccccc2)cc1 725432933 GEINMLRXUHONRH-UHFFFAOYSA-N 543.443 3.749 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084492097 QOHBKPAUIWCMGY-UHFFFAOYSA-N 529.640 3.780 50 10 KHGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 2178904240 VDEXGFVOOLERDQ-GHMZBOCLSA-N 516.015 3.593 50 10 KHGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1cc(Br)ccc1I 2195494292 MOISHOHDSIJPKF-MWLCHTKSSA-N 516.999 3.974 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cscc1B(O)O 2268644341 PACGLCSEUBVIGX-TZPNTHKFSA-N 506.433 3.559 50 10 KHGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 2314476589 RGPLZSQSWPJLPY-HSZRJFAPSA-N 504.612 3.928 50 10 KHGE O=C(CN1CCOCC1)N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 59247186 WBUHVAMHJPFMLH-FSJBWODESA-N 511.214 3.573 50 10 KHGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCC(=O)N1CCOCC1 101727236 BZKRPZUIBMDTQI-JFLMPSFJSA-N 540.667 3.689 50 10 KHGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 252597218 CQAAFLWJENZERZ-UHFFFAOYSA-N 563.982 3.996 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3C)cc2OC)cc1 254521910 BNDZHUOYQICNFF-UHFFFAOYSA-N 503.555 3.892 50 10 KHGE Cc1ccc(-c2csc3ncn(CC(=O)NNS(=O)(=O)c4ccc(C(C)(C)C)cc4)c(=O)c23)cc1 1860770624 QCITYCZBNVFYJK-UHFFFAOYSA-N 510.641 3.741 50 10 KHGE CCCCCCOc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962054 PCZWUTNYFXFJMN-FGZHOGPDSA-N 507.635 3.776 50 10 KHGE O=C(NCC[C@H]1COC[C@H]1Br)c1cc(Br)ccc1I 2111280413 RBZKCFQYMQGSEG-GZMMTYOYSA-N 502.972 3.584 50 10 KHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2ccc(Br)cc2I)C1 2142285109 LMMQIRXKJUXNMB-VHSXEESVSA-N 502.972 3.678 50 10 KHGE O=C(NCC(F)(F)C(F)(F)CI)c1csc(I)c1 2314949104 HSIYBQPMUZMZIC-UHFFFAOYSA-N 507.028 3.788 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](C(F)(F)CBr)C1 2364215166 RNQMKGCESIHXSZ-HNNXBMFYSA-N 507.397 3.525 50 10 KHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(Br)o3)cc2)c1 12570793 HDYCQXHDLGFAME-UHFFFAOYSA-N 501.362 3.552 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 13976283 QTPXMTRYGCAMCP-UHFFFAOYSA-N 512.429 3.990 50 10 KHGE CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14013891 KEPZDYQWWODQHL-INIZCTEOSA-N 500.187 3.904 50 10 KHGE CCc1ccc2c(c1)/C(=N/NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)C(=O)N2C 59372549 HGYYBYXRCFVFER-WCTVFOPTSA-N 504.612 3.558 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] 101492860 UEAXQZPWVLZONX-UHFFFAOYSA-N 526.724 3.624 50 10 KHGE CCOC(=O)COc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 150415301 NYCWAOKWWVBYBW-HUTJOEHLSA-N 636.224 3.802 50 10 KHGE C=CCn1cc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3)n2CC=C)cn1 253567837 KNTHHPNIKMQICW-KWJLSGNOSA-N 576.468 3.694 50 10 KHGE Brc1cc(CO[C@@H]2COC[C@@H]2I)ccc1I 1904373707 JXSYRSYFUQCCPT-WDEREUQCSA-N 508.919 3.773 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 2377094377 CHCRMELOICKHTL-LNPFQXMTSA-N 519.730 3.971 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1Br 14771049 VWUIZVAWSHZFKF-UHFFFAOYSA-N 501.200 3.560 50 10 KHGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)COc3ccc(C)cc3Br)cc2)c(Br)c1 150420361 YUNMDWNFCSOCRH-UHFFFAOYSA-N 648.308 3.508 50 10 KHGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1O 254814126 ZGIYGNMSCIBXNJ-UHFFFAOYSA-N 519.583 3.908 50 10 KHGE COC(=O)Oc1ccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1OC 254907092 XUYLPNTXCPSCJD-UHFFFAOYSA-N 516.598 3.922 50 10 KHGE CC(=O)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1 1084364626 UHBMQZYVOLSEJB-UHFFFAOYSA-N 500.309 3.600 50 10 KHGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1ccc(I)c(Br)c1 1878686900 QIUCGLGDLVPQJN-JOYOIKCWSA-N 502.972 3.584 50 10 KHGE Cc1c(B(O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1C(=O)OC(C)(C)C 1887522142 FSTRXSUQTFOCMP-UHFFFAOYSA-N 542.441 3.701 50 10 KHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2ccc(I)c(Br)c2)C1 2109017934 MVQAJPUGRYKTDN-NXEZZACHSA-N 502.972 3.678 50 10 KHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334386 DHVGJWNAVPUKFT-UHFFFAOYSA-N 504.612 3.852 50 10 KHGE O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1Br 33417594 RZZIWIKTQQAARF-OQLLNIDSSA-N 510.822 3.765 50 10 KHGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 100182146 FPCPMZMXIWRAIE-UHFFFAOYSA-N 566.474 3.765 50 10 KHGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S/C1=N/NC(=O)Cc1ccccc1 100844259 GPCDAGJTWZKCJD-CUBIIZMHSA-N 501.406 3.538 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614374 QINBHWWNFFVOHQ-WPWMEQJKSA-N 544.793 3.944 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)CCc3c[nH]c4ccccc34)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530956 KRPFBYNIKWZMKJ-ICLYKREQSA-N 589.733 3.915 50 10 KHGE biogenic O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1O 254513533 FXMUQEKGDGGJTK-UHFFFAOYSA-N 519.499 3.699 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1083911192 JXMVISIBSYTWQF-UHFFFAOYSA-N 537.359 3.536 50 10 KHGE C[P@@]1(=O)C[C@H](NC(=O)c2ccc(Br)cc2I)[C@@H](Br)C1 2142277065 LHUQYVXCCXWPPM-KKRWKGTOSA-N 520.927 3.922 50 10 KHGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293250229 WQHWAVRERMFDNN-UHFFFAOYSA-N 553.325 3.713 50 10 KHGE COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC 2297747986 FVWCTVMYHAYDTJ-UHFFFAOYSA-N 524.581 3.582 50 10 KHGE COc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869865 XOHRVEUOJGDHRT-ACXHZZMFSA-N 614.449 3.973 50 10 KHGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 101341282 ZQVUJJREJVPMLX-BUVRLJJBSA-N 538.560 3.856 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615061 NTFCQVCHGNAZFJ-PNQUVVCRSA-N 540.367 3.791 50 10 KHGE CCOC(=O)[C@@H](Br)Cc1cc(I)cc(I)c1 690365207 VWTSWNYVBKOPCI-JTQLQIEISA-N 508.919 3.765 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084020803 BTPXZYBIZDJNQP-UHFFFAOYSA-N 516.963 3.993 50 10 KHGE CSCC[C@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866887688 UJXSJNODFVBVMY-IBGZPJMESA-N 512.078 3.954 50 10 KHGE CCOC(=O)Cc1cc(I)c(I)cc1CBr 2055230279 CFVHNQAHHIGFFO-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE CC(C)(C)OC(=O)N1C[C@H](OCCOCCOCCOCc2ccccc2)[C@H](I)C1 2211319650 JQFAMQFWTAYCDH-UXHICEINSA-N 535.419 3.676 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])c(C(C)C)cc1Br 13976493 AJAOZFXTRIZKNV-UHFFFAOYSA-N 509.382 3.504 50 10 KHGE COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C(/C#N)C(=O)NC3CCCCC3)CC2)cc1 33534340 QKYAZBKYMLRQFH-QOCHGBHMSA-N 526.641 3.694 50 10 KHGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)CCNC(=O)c3ccccc3Cl)cc2OC)cc1OC 100869808 WDFZMWFGIQIIKL-UHBFCERESA-N 539.972 3.855 50 10 KHGE C=CCn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1cccnc1 104768556 FVJRKKZENSYLDT-AUEPDCJTSA-N 552.252 3.999 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 206430198 LWFDLSMIQLRWGD-IUXPMGMMSA-N 506.427 3.856 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)c2ccccc2F)cc1 252627804 SBUXFSPTYPZCDB-UHFFFAOYSA-N 548.390 3.971 50 10 KHGE COc1ccc(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@@H]3C)[C@@]46OO5)CC2)cc1 254622382 AXISLXOLACSPOR-PPBWOMQTSA-N 558.672 3.875 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OC)c(OC)c2)cc1 1084203734 BRFZJSZYKSODLR-GOSISDBHSA-N 512.344 3.671 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1OC 1772719952 AAYOFHYAJZJHBB-UHFFFAOYSA-N 564.551 3.500 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCCN1CCOCC1 1865687014 HLEAUXULPRISLY-AREMUKBSSA-N 536.032 3.831 50 10 KHGE O=S(=O)(Nc1ccc(I)cc1Br)N1CCC(Br)CC1 2105894033 UACOBODACPJKMW-UHFFFAOYSA-N 524.016 3.570 50 10 KHGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Cl)cc([N+](=O)[O-])c2O)c1 2296977186 ZLSDTEKICKURFW-UHFFFAOYSA-N 524.917 3.892 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC12CC2 2349643267 LPDIVVAGRCHGKR-JOCHJYFZSA-N 505.703 3.727 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2379882424 GOINLAMJGDHJOD-ODCWNRFASA-N 508.330 3.537 50 10 KHGE N#CC1=C(N)n2c(s/c(=C/c3ccccc3C(F)(F)F)c2=O)=C(C#N)[C@H]1c1cccc(C(F)(F)F)c1 2335024 SJECQSSKSPFUTE-XSORJCKLSA-N 518.442 3.899 50 10 KHGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 38683417 QDGYNYJYCBCTOB-XMMPIXPASA-N 516.506 3.936 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccccc1Br 100076258 JVNZLKVWZCPMJM-UHFFFAOYSA-N 580.096 3.997 50 10 KHGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1 253575062 UEGQVNANXVYGKU-HNNXBMFYSA-N 564.453 3.768 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2349662670 MZRYIVKIQMVMPT-OYHNWAKOSA-N 507.719 3.876 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2(CCC2)C1 2350357925 VUCIIQVCEGNWSB-QFIPXVFZSA-N 505.703 3.869 50 10 KHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OC)c(I)c1 100093859 UGLTVJQXMAZPAY-CYBMUJFWSA-N 541.411 3.528 50 10 KHGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 214351832 PTONGMUTCIOWSB-JLPGSUDCSA-N 527.606 3.568 50 10 KHGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2ccc(Br)cc2I)C1 2142277068 LHUQYVXCCXWPPM-UYKLKCEZSA-N 520.927 3.922 50 10 KHGE O=C(NCc1nnc(CBr)s1)c1ccc(Br)cc1I 2142280040 YBFNAFPYYCYSPY-UHFFFAOYSA-N 516.984 3.730 50 10 KHGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179789973 YCVVGTMHTNMAAN-HZPDHXFCSA-N 536.311 3.679 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cscc1B(O)O 2268647440 PACGLCSEUBVIGX-XOWTYJCDSA-N 506.433 3.559 50 10 KHGE C[C@H](NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc2c(c1)CCCC2 2325118062 LRVOJPLRYVFBDO-SFHVURJKSA-N 529.062 3.936 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C12CC2 2350363217 KFJAFIAKIAHADA-QFIPXVFZSA-N 505.703 3.869 50 10 KHGE Cn1ncc(I)c1-n1c(CCCl)nc2cc(I)ccc21 2381868194 NQQZJMXZFWHANZ-UHFFFAOYSA-N 512.520 3.750 50 10 KHGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1OC(C)=O 12583781 CJJCEWZSDWNUCP-ZVBGSRNCSA-N 500.143 3.675 50 10 KHGE CC1(C)CC(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])CC(C)(C)N1 40645240 BUVSBQDBVZYQFI-UHFFFAOYSA-N 512.398 3.935 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)ccc1Br 100081930 XQWVGLUFUTXUHI-UHFFFAOYSA-N 610.122 3.762 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598894 WAYHWUNVQCSCLN-NLRVBDNBSA-N 509.906 3.695 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185308226 DBVAESTYPKPDIG-TVYUQYBPSA-N 514.983 3.821 50 10 KHGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCOCC3)c2)C1 2314508620 VVLCNNJQORLVHI-QFIPXVFZSA-N 545.665 3.726 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2379878584 GOINLAMJGDHJOD-MQNRADLISA-N 508.330 3.537 50 10 KHGE CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14013894 KEPZDYQWWODQHL-MRXNPFEDSA-N 500.187 3.904 50 10 KHGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814640 UOERPCJSMYLRLM-ZTKZIYFRSA-N 509.607 3.935 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OCC)c2)cc1 100238333 LUWQMRQGMRWCND-YCCHBACSSA-N 570.380 3.516 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)cc3O)n2-c2ccc(OC)cc2)cc1 254817218 RZNWLZNPLJQRIF-UHFFFAOYSA-N 505.556 3.605 50 10 KHGE COc1ccc(N(CC(=O)NN=C(C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084223539 BEZBOEJGPMXEKV-UHFFFAOYSA-N 538.626 3.706 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 1866598332 GMIUEXLTJJRXMY-QFIPXVFZSA-N 526.684 3.778 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](OCCBr)C1 2109124542 YIALPSWTCNJYNI-SNVBAGLBSA-N 502.972 3.680 50 10 KHGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482997 OZMKCMOTTCYIHO-UHFFFAOYSA-N 509.522 3.536 50 10 KHGE O=C(NC(=S)NNC(=O)c1ccccc1Br)c1ccc(OCCOc2ccccc2)cc1 14039715 LRYKAHVWUCVBHH-UHFFFAOYSA-N 514.401 3.856 50 10 KHGE CCOCCOc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100234505 ZBUJKPIQADEAPJ-UHFFFAOYSA-N 530.213 3.775 50 10 KHGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101405730 INHBNBUORIFGFB-MKYLKIGJSA-N 529.530 3.771 50 10 KHGE COCCOc1ccc(C=C(C#N)C(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 2331116391 WDDRKKFICXKTEL-MUUNZHRXSA-N 542.588 3.980 50 10 KHGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Br)cc2)cc(OC)c1OC 100869945 QHVLWQYCFSDSRF-IPPBACCNSA-N 570.396 3.574 50 10 KHGE CCOc1cc([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCCN1CCOCC1 105829715 SBDIEORNGKOQKE-GRKNLSHJSA-N 608.699 3.858 50 10 KHGE COCCCNC(=O)Cn1cc(/C=C(/C#N)C(=O)NCc2cccs2)c2cc(Br)ccc21 1084528120 POGYSBKJNILQJF-YBEGLDIGSA-N 515.433 3.841 50 10 KHGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687036 HWRZJTSGFWBVSO-HHHXNRCGSA-N 529.641 3.822 50 10 KHGE CSCC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867250932 LRTTZMTWCYFFQA-RBUKOAKNSA-N 560.503 3.934 50 10 KHGE O=C(NC[C@]1(CBr)CCCO1)c1ccc(Br)cc1I 2142284152 YWQIEMLHNGRKMD-CYBMUJFWSA-N 502.972 3.728 50 10 KHGE BrC[C@]12CCCO[C@H]1CN(c1ncc(I)cc1Br)C2 2230625557 ORUZUPCKKSBMPI-AAEUAGOBSA-N 501.988 3.829 50 10 KHGE C[C@@H]1CC(O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)S1(=O)=O 2352654921 FLPIHSPCMPSCNW-HBUWYVDXSA-N 501.427 3.562 50 10 KHGE O=C(CCCCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Cl 100038065 HQUUKSBDMLVYOG-UHFFFAOYSA-N 580.252 3.613 50 10 KHGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccccc1I 100177502 HQBSNWPMJWPHJE-SECBINFHSA-N 523.552 3.936 50 10 KHGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)CCNC(=O)c3ccccc3Br)cc2)cc1OC 100869900 BWFAZRIMCTUWST-MWLSYYOVSA-N 554.397 3.956 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 101067240 OZMVUIXWIFKRFX-NLRVBDNBSA-N 509.360 3.896 50 10 KHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(OC)ccc2OC)c2ccc(C)cc2)cc1 1084137938 APFQOZOFBBRWBS-UHFFFAOYSA-N 511.600 3.757 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743563 BPWAEMNSKHEWOZ-UHFFFAOYSA-N 554.357 3.804 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745281 VNKBHADNQBMBIO-UHFFFAOYSA-N 525.359 3.601 50 10 KHGE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866800861 OZPIZNCNOWCAAK-QHCPKHFHSA-N 569.661 3.513 50 10 KHGE CC(C)(CI)Cn1cnc(I)c1I 1893376095 CTENVOHOOPMZSB-UHFFFAOYSA-N 515.902 3.554 50 10 KHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1cc(Br)ccc1I 2097945086 IPHZJDYPXBDJLQ-NXEZZACHSA-N 502.972 3.726 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CCN(CCCBr)CC1 2169925569 DQDFLWQQZGDSAA-UHFFFAOYSA-N 516.015 3.597 50 10 KHGE COc1cc(C=CC(=O)NN)cc(I)c1OCc1cccc(Br)c1 2293941071 XYFBETXRLIAOPI-UHFFFAOYSA-N 503.134 3.644 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2358308630 KEXYNAOEYUMFNP-RLCGTCKNSA-N 514.983 3.536 50 10 KHGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])c1 40658668 GOQHWLQUGWHCHO-UHFFFAOYSA-N 501.843 3.624 50 10 KHGE N#C/C(=C\c1cc(I)c(O)c(I)c1)C(=O)NC1CCCCC1 100460532 QFCFWZQDHGGPTA-IZZDOVSWSA-N 522.124 3.957 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)c1 101335353 CYKCUWWTUQWZMI-NLRVBDNBSA-N 573.675 3.808 50 10 KHGE COc1cc(C(=O)NN=Cc2cc(I)cc(I)c2O)ccc1I 252635925 XCBWOTWWHHYMGY-UHFFFAOYSA-N 647.976 3.979 50 10 KHGE COc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 254478703 AIBAVZFBLABHJD-UHFFFAOYSA-N 511.534 3.956 50 10 KHGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084026476 KOGKFNCNJLYNOG-UHFFFAOYSA-N 525.583 3.803 50 10 KHGE CC(=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1ccc(I)cc1 1084490984 APZRDTDOOGIFAF-UHFFFAOYSA-N 547.418 3.849 50 10 KHGE O=C(/C=C/c1ccc(F)cc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859004917 UDLLRYAEHCLSCZ-LFYBBSHMSA-N 531.493 3.722 50 10 KHGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1ccc(Br)cc1I 2142284535 DPCPGMDZPVLZHU-PSASIEDQSA-N 502.972 3.584 50 10 KHGE O=C(NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40610867 HMWZILZWKXMQCW-UHFFFAOYSA-N 509.570 3.987 50 10 KHGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 101494472 QRVDKCHNBMPKIM-UHFFFAOYSA-N 521.317 3.768 50 10 KHGE COc1cc(C=NNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc(Br)c1O 252642692 ZOILHBVBQCXEJZ-QQAXUXLISA-N 539.342 3.993 50 10 KHGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 254750656 OLXCXTFVJAYXGA-UHFFFAOYSA-N 568.608 3.661 50 10 KHGE COc1ccc(CC(=O)NN=C2C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3ccccc32)cc1OC 254798478 TUYKYKQFTDBPDV-QHCPKHFHSA-N 513.598 3.693 50 10 KHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2cc(Br)ccc2I)C1 388931343 LUZSLSWBOKNEIP-NXEZZACHSA-N 502.972 3.678 50 10 KHGE O=C(COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)NC[C@H]1CCCO1 725448703 ZZPZTUHIAAFHOG-HHHXNRCGSA-N 657.587 3.507 50 10 KHGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1OC 1084598637 OOBOPTMVIHWFJL-UHFFFAOYSA-N 533.452 3.851 50 10 KHGE CC[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866629179 HBGTUDAXSSFOOY-IBGZPJMESA-N 507.037 3.990 50 10 KHGE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2350096028 IOFNRAWYSHCDGE-JOCHJYFZSA-N 507.719 3.973 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CC2(CC[C@@H](CBr)O2)C1 2361872476 HSUOKBPQGQTRHL-JTQLQIEISA-N 514.983 3.822 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12503425 YLAQAWRRFGRRAD-UHFFFAOYSA-N 517.822 3.775 50 10 KHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 13983513 MFYCLSZIENATQH-CYBMUJFWSA-N 511.385 3.519 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 100203395 PICUZWWSJRKQBP-UHFFFAOYSA-N 558.454 3.856 50 10 KHGE C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)O)S/C1=N/NC(=O)Cc1ccccc1 100844280 UTSJOUOAUWVEPN-QHTMYDGDSA-N 530.400 3.645 50 10 KHGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)cc1 2296546322 UWPUKYVMSIDTBT-UHFFFAOYSA-N 525.634 3.976 50 10 KHGE CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646570 CXYDDYNNVDWKJB-HHHXNRCGSA-N 667.769 3.706 50 10 KHGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821367 FGVFMADRRQJUEM-CRAIPNDOSA-N 520.433 3.612 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355689247 ANLXKUURZBHOMU-XTWCZFFVSA-N 514.983 3.536 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231643 AVYMNKDBHFCWJG-UHFFFAOYSA-N 507.381 3.745 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1Br 100201910 NUNVAQNIPINCAM-UHFFFAOYSA-N 538.464 3.621 50 10 KHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 254814302 HNSJIGMNATXBJE-UHFFFAOYSA-N 533.581 3.982 50 10 KHGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1cc(Br)ccc1I 1878683580 CPXCVEJUAIRAAH-UFBFGSQYSA-N 502.972 3.584 50 10 KHGE C[C@H]([C@H](Br)c1cc(I)ccc1Br)S(=O)(=O)N(C)C 2029076332 YLFLREZEKBJEEY-HQJQHLMTSA-N 511.017 3.770 50 10 KHGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 2178904242 VDEXGFVOOLERDQ-QWRGUYRKSA-N 516.015 3.593 50 10 KHGE O=C(NN=Cc1ccc(I)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483066 WNZXMXMTDAYCHI-UHFFFAOYSA-N 529.290 3.534 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cc(Br)ccc3O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642421 CZMITVFZEVPIFM-HWAWHHLPSA-N 617.537 3.583 50 10 KHGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14668703 CHSKWVDVIIBIPG-UHFFFAOYSA-N 521.437 3.780 50 10 KHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1 100080421 DFJYDQYOWCBVRS-UHFFFAOYSA-N 521.220 3.544 50 10 KHGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 101013764 BBZRGCDQSJNBAE-IURPEQHOSA-N 531.638 3.546 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)N/N=C/[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118920638 YEVINKRLYXDIIZ-FORCTDNTSA-N 601.140 3.842 50 10 KHGE CCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1[S@@](C)=O 575232159 CIBVDGZXDAXGHD-XPIQEKSMSA-N 623.297 3.877 50 10 KHGE in-vitro COc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(Br)cc1 1084072917 RJEHVDNKEZMKOC-UHFFFAOYSA-N 541.240 3.582 50 10 KHGE C[C@H]([C@H](Br)c1ccc(I)c(Br)c1)S(=O)(=O)N(C)C 2029074535 LBVLRVQWPUVJKA-HQJQHLMTSA-N 511.017 3.770 50 10 KHGE C[C@H](Br)COCc1cn(-c2cc(I)cc(I)c2)nn1 2278381716 BFDZZRDUOJNNFZ-QMMMGPOBSA-N 547.960 3.777 50 10 KHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@@H](C)Oc1cccc(Br)c1 2314795810 STSILMNDGLBMJV-MRXNPFEDSA-N 515.360 3.596 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2350352614 GBVKLUBXSNKHKM-WJONJSRFSA-N 505.703 3.582 50 10 KHGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2c(Br)cc([N+](=O)[O-])cc2Br)C1=O 101235251 RFRGAPAXPOHXGW-UKTHLTGXSA-N 528.157 3.661 50 10 KHGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 101568892 XYALGBNQCPRWKE-UHFFFAOYSA-N 532.402 3.853 50 10 KHGE C#CCN1C(=O)C(=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2cc(Br)ccc21 725438791 YACGZOODLTWWQB-GMXOJREBSA-N 570.447 3.786 50 10 KHGE Cc1ccc(OCC(=O)O)c(C=NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)c1 1081159487 AEMGZQLODRBQOG-UHFFFAOYSA-N 507.977 3.738 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(C(=O)OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083969371 OMNGRUZJADFYQA-UHFFFAOYSA-N 530.002 3.871 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(Cl)c2)cc1 1084168449 PTSCJOOOJUJJTR-UHFFFAOYSA-N 513.019 3.682 50 10 KHGE Cc1c(N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1084461292 IASFQCIWKXFKJI-UHFFFAOYSA-N 633.727 3.551 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2285027903 WZOJRXJCFIMCLS-WXTAPIANSA-N 520.460 3.901 50 10 KHGE N#CC(=CNc1cccc(S(=O)(=O)O)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598936 KFLJFSATSUNJRR-UHFFFAOYSA-N 502.596 3.686 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2366922474 XFNDLWVTCVKTRA-BZQUYTCOSA-N 508.330 3.537 50 10 KHGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)c(Br)c1 13979635 OLBVDYMMCKXDHU-UHFFFAOYSA-N 506.578 3.779 50 10 KHGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccccc1 19651394 JXKHXJUQAMNAIY-GRJIBALVSA-N 517.611 3.716 50 10 KHGE COc1ccc(-c2noc(CNC(=O)C/C(C)=N/NC(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1OC 103593753 WLHZWQPCYNEDJK-OCSSWDANSA-N 523.590 3.629 50 10 KHGE Cc1cc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084630197 CQSMWYZDIJUWLH-GDLZYMKVSA-N 640.187 3.962 50 10 KHGE O=C(O)c1ccccc1[C@@H]1c2cc([N+](=O)[O-])c(O)c(Br)c2O[C@@H]2[C@H](Br)C(=O)[C@H]([N+](=O)[O-])C[C@@H]21 1307310481 BWCXYYMKYMIDAC-SRTHINIRSA-N 586.145 3.652 50 10 KHGE C=C[C@]1(CBr)COCCN1C(=O)c1cc(Br)ccc1I 2199849875 XHKCJDBTPSFOQN-AWEZNQCLSA-N 514.983 3.846 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CC2(C1)OCCC[C@H]2Br 2207266531 AOKSDSJADUPHJI-GFCCVEGCSA-N 514.983 3.822 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2282425778 UGDVQLYRUWSTGX-UHFFFAOYSA-N 500.467 3.761 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1C 14655718 RITLICUAXJWSFP-UHFFFAOYSA-N 500.802 3.524 50 10 KHGE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H]1C[C@@H](C(=O)OCCl)CN(C(=O)OCc2ccccc2)C1 616574113 XOZQFUPUGAVDQX-TYPHKJRUSA-N 510.031 3.694 50 10 KHGE O=C(NN=Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br 1084127523 KLCQKOWMLRIBMT-UHFFFAOYSA-N 504.318 3.889 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1 1084328536 TVRFFDLJICLENL-UHFFFAOYSA-N 599.265 3.820 50 10 KHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=C(c1ccccc1)c1cccs1 1084441563 BEIHMDYZXZFRKC-UHFFFAOYSA-N 514.640 3.980 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@@H](CCBr)C1 2116234543 RVVNZKVWKLMKMB-JTQLQIEISA-N 502.972 3.680 50 10 KHGE OB(O)c1ccc(CSc2cc(I)ccc2Br)cc1Br 2377313234 BZJZZLFRAGHRPZ-UHFFFAOYSA-N 527.812 3.788 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)CCc1ccccc1 100077230 GLBKJGBHRADWFA-UHFFFAOYSA-N 529.254 3.554 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100215479 ZTNQERYTCYWSLQ-UHFFFAOYSA-N 565.671 3.978 50 10 KHGE NNC(=O)c1cccc(COc2c(I)cc(I)cc2I)c1 154935381 XVTSCPJGFLBYMR-UHFFFAOYSA-N 619.966 3.683 50 10 KHGE CCOC(=O)N1CCC(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 216505196 YDCSJLSOVVOVES-LVWGJNHUSA-N 501.631 3.538 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCNC(=O)c3ccccc3Br)cc2OC)cc1OC 1772720734 WZJQAJYLRVLELW-UHFFFAOYSA-N 584.423 3.964 50 10 KHGE CC[C@@H](NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866845227 XNORPCGJLJAXSI-FUHWJXTLSA-N 529.669 3.691 50 10 KHGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1cc(Br)ccc1I 2190185209 JUOZLWXCMCPWEB-KBPBESRZSA-N 514.983 3.870 50 10 KHGE Cc1c(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ccc(B(O)O)c1Cl 2268677760 CEYNEHFCBRQQPW-RUZDIDTESA-N 506.795 3.830 50 10 KHGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2313682557 GAJQUNNKIKUNBN-UHFFFAOYSA-N 546.580 3.689 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C 2377102214 UOZIZYKVVHHHPE-IGMOGCDKSA-N 523.693 3.815 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 100165441 YEEORWJBWICCSH-UHFFFAOYSA-N 535.622 3.589 50 10 KHGE CC(C)COc1cccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2cccc(OCC(C)C)c2)C=3C#N)c1 254734087 ASXAEGRPNGQYGQ-HHHXNRCGSA-N 526.662 3.931 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2sccc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084188352 YLUSGIBQMANRMF-UHFFFAOYSA-N 502.574 3.627 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1Cl 1084432769 UZWHRKXGMMBHBG-IBGZPJMESA-N 573.071 3.521 50 10 KHGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1ccc(I)c(Br)c1 2279416102 VKNIJRRTVOFGQK-ONGXEEELSA-N 516.999 3.974 50 10 KHGE COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1I 100090714 FQQYBFGKRVJZLU-UHFFFAOYSA-N 539.551 3.556 50 10 KHGE CCOC(=O)c1ccccc1C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccccc1I)C=2I 252670574 LAPZYJBSKDHXDH-LJQANCHMSA-N 681.293 3.511 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 1083851480 GURZYSJHNLRNDN-UHFFFAOYSA-N 501.992 3.844 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2COC[C@]2(CBr)C1 2234578403 FTJBNGNXTNZOSF-XPTSAGLGSA-N 514.983 3.537 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCN(C)CC2)cc1Br 2297497986 VDWMTLMJAXBXAB-UHFFFAOYSA-N 506.404 3.991 50 10 KHGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2328826175 QBFKQHKTVXKYRM-NRFANRHFSA-N 500.621 3.801 50 10 KHGE O=C(OC(c1ccccc1)c1ccccc1)C1=C(CCl)CO[C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N12 196240449 JIZOONXWVOABDX-AMGIVPHBSA-N 502.954 3.809 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 214431465 URFBCNLYWCTGNP-XYGWBWBKSA-N 570.602 3.728 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccccc2F)c(I)c1 1083943420 POIYTDKHXIBTOP-UHFFFAOYSA-N 576.204 3.554 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(C)c1cccnc1 1084437030 KBNZFSGYHPOKJL-UHFFFAOYSA-N 547.426 3.708 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 101341530 RLGJQSHXDKKHTD-BUVRLJJBSA-N 558.566 3.859 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)Cc2ccccc2)cc1OC 1084358299 RURXJVCTAIAMOL-UHFFFAOYSA-N 590.452 3.536 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1Br 14771007 KMUUONDJPZDZFS-UHFFFAOYSA-N 502.390 3.716 50 10 KHGE COc1ccc(CN(C(=O)/C=C/C(=O)O)[C@@H]2CC(=O)N(c3ccc(OCCCCCCl)cc3)C2=O)cc1 59489524 SRLVVUBITGILDP-YAOQVBECSA-N 528.989 3.785 50 10 KHGE Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H](n3ccc(/N=C/N(C)C)nc3=O)C[C@@H]2O[Si](C)(C)C(C)(C)C)cc1 504145862 ZUJSQQXFSLCHQA-IWOGQSRWSA-N 550.754 3.857 50 10 KHGE in-vitro C[C@@H]1Cc2c(Cl)cc(C(=O)N(C(=O)c3cc(Cl)c4c(c3)C(=O)O[C@H](C)C4)[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O)cc2C(=O)O1 585669658 FMIDXXSGPYEEDS-ARKLXFMOSA-N 685.560 3.725 50 10 KHGE O=C(COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NCc1ccco1 725390888 COHXAYORDUGJGO-UHFFFAOYSA-N 595.077 3.969 50 10 KHGE CCOc1c(I)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 1084382400 ZMVWGKBYCCWAAO-AQTBWJFISA-N 517.367 3.954 50 10 KHGE CCc1ccc(OCCCC(=O)NNC(=O)c2sc(-c3cnccn3)nc2C)c(Br)c1 1865757525 HQQRBKKQAJIJRP-UHFFFAOYSA-N 504.410 3.854 50 10 KHGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2297498242 INHBNBUORIFGFB-SFHVURJKSA-N 529.530 3.771 50 10 KHGE O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100140040 VVIDWHGAHMBFEW-UHFFFAOYSA-N 553.163 3.878 50 10 KHGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100282283 VDOCYJZILXWMST-UHFFFAOYSA-N 595.269 3.866 50 10 KHGE O=C(CCl)N[C@H](NC(=S)Nc1ccccc1N1C(=O)c2ccccc2C1=O)C(Cl)(Cl)Cl 100917628 XXXPVPYYVBYKSA-QGZVFWFLSA-N 520.225 3.825 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1ccccc1O 103563756 UTXWTFWFBUSWFA-UVHMKAGCSA-N 553.442 3.948 50 10 KHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OC)c1 103746573 PNABTZMHLCQKTK-YVVITCHPSA-N 535.556 3.717 50 10 KHGE C=C[C@@](O)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC 575449051 LDOSMOMSBPPRGF-QTJNLODESA-N 512.719 3.762 50 10 KHGE C=CCOc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 725431975 BDKOJXHDUAZXBZ-UHFFFAOYSA-N 537.638 3.652 50 10 KHGE Cc1ccc(/C=C/C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1 1859007964 WOLRNLYQXCDFBC-MDWZMJQESA-N 527.530 3.892 50 10 KHGE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2350357164 QXUGZEGAXNPESF-KSFYIVLOSA-N 507.719 3.973 50 10 KHGE O=C(COc1ccc(Br)cc1)NNC(=O)COc1ccc(Br)cc1Br 100055614 DZPNANJIKSWBPK-UHFFFAOYSA-N 537.002 3.579 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1I 100079214 SHGBDJPKHKFBFJ-UHFFFAOYSA-N 614.259 3.930 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 100082611 YNEHEMYGWWUTQP-UHFFFAOYSA-N 582.230 3.988 50 10 KHGE COC1=C/C(=C\NNC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2)C=C(Br)C1=O 136541950 WHNXAHPJTZBYCL-LIDSQNLZSA-N 520.383 3.910 50 10 KHGE O=C(N[C@H](C[S@@](=O)C[C@H]1C[C@@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877479463 VYLPSXAFSPGXBB-GAGXWXKLSA-N 506.418 3.901 50 10 KHGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1ccc(I)c(Br)c1 2279416100 VKNIJRRTVOFGQK-KOLCDFICSA-N 516.999 3.974 50 10 KHGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 2314476590 RGPLZSQSWPJLPY-QHCPKHFHSA-N 504.612 3.928 50 10 KHGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 2328808933 ATJGJLOPEOFAKM-UHFFFAOYSA-N 507.344 3.594 50 10 KHGE CC1CCC([C@H](CBr)NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2379736047 HWHFENLATOQAFK-FJSFSOJYSA-N 503.434 3.520 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2379884972 WODWCRKWDYPLST-VWLOTQADSA-N 508.330 3.537 50 10 KHGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40645653 ZXHKADXOSAVOPD-UHFFFAOYSA-N 507.290 3.744 50 10 KHGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1Br 100080819 MFKPEHXQBNMCHK-UHFFFAOYSA-N 580.096 3.997 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccc(N(C)C)cc1)c1ccccc1 725382442 ZUVOHSBJFAQIPY-UHFFFAOYSA-N 545.459 3.869 50 10 KHGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)CC1 1084102182 IJORKCXXJGHFQA-UHFFFAOYSA-N 629.739 3.787 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 1084229909 NCSBVLGTWZZOSS-UHFFFAOYSA-N 548.208 3.959 50 10 KHGE C[C@H]1C[C@H](O[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)S1(=O)=O 2352654920 FLPIHSPCMPSCNW-BASYENTBSA-N 501.427 3.562 50 10 KHGE COC[C@@]1(CBr)C=CCN1C(=O)c1ccc(I)c(Br)c1 2379832402 HGFMWZZLSHDIDT-AWEZNQCLSA-N 514.983 3.846 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)c(Br)c1 10295876 SISSEDXBNUUWTR-AWEZNQCLSA-N 508.438 3.903 50 10 KHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(OC)cc3)cc2OCC)cc1 254568483 HEXONXKRJOWGMC-UHFFFAOYSA-N 505.527 3.801 50 10 KHGE Cc1ccccc1C(=O)NN=Cc1cc(I)cc(I)c1O 1084054651 IXQYNBLBAXEDLV-UHFFFAOYSA-N 506.081 3.674 50 10 KHGE COc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OC 1084290676 YRCDEDJRVUDUPZ-UHFFFAOYSA-N 532.416 3.812 50 10 KHGE Cc1sc2ncn(CC(=O)NNS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)c2c1-c1ccccc1 1860770842 ZFBNAFKISDINSS-UHFFFAOYSA-N 510.641 3.741 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC(F)(F)[C@@H](CBr)C1 2364200984 ACIILISDGCIPJH-HNNXBMFYSA-N 507.397 3.525 50 10 KHGE COc1ccc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc1COc1ccc(C(=O)OCC(C)C)cc1 13136069 ZRNDMDNQAOESII-UHFFFAOYSA-N 508.527 3.968 50 10 KHGE O=C(NNC(=S)NC(=O)c1ccccc1I)c1ccc(NC(=O)C2CCCCC2)cc1 100076950 BLSLCXSTYDBYEV-UHFFFAOYSA-N 550.422 3.759 50 10 KHGE C[C@H](Oc1c(F)cccc1/C=N\NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1)C(=O)O 675030342 MCVZJUDDIXIXQJ-RQSOKRQSSA-N 525.967 3.957 50 10 KHGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771100 JTZGJWDYWSLMIJ-UHFFFAOYSA-N 509.415 3.650 50 10 KHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCBr)Cc1ccccc1 1914649066 HNEBHQJFYQZCBO-UHFFFAOYSA-N 507.450 3.926 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2345067042 VMMZTKURINOVHN-XVQYUUQNSA-N 505.703 3.867 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100228378 AZBASVUIUBCFRP-UHFFFAOYSA-N 551.644 3.588 50 10 KHGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254594280 PSTKLHZEWXSDCK-UHFFFAOYSA-N 501.564 3.796 50 10 KHGE O=C(CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)NNC(=O)c1cccs1 312134409 NZWFZHVSDPMSEP-OAQYLSRUSA-N 539.635 3.624 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084001225 QGYOLQAYSNCKOE-UHFFFAOYSA-N 560.028 3.636 50 10 KHGE CCC[C@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 2331916223 RFNJLLCNUAYSEB-QFIPXVFZSA-N 500.646 3.837 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 9696085 GSFLVASGBJHTFP-UHFFFAOYSA-N 514.401 3.839 50 10 KHGE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)NNC(=O)c2cc(OC)cc(OC)c2)cc1 205964068 GIJXLPFPNRRHCR-LFVJCYFKSA-N 504.518 3.811 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253578977 ZAGZKZKIVJDNLQ-MMTYYTLLSA-N 510.536 3.524 50 10 KHGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cccnc3)S(=O)(=O)c3ccccc3)o2)cc1 1084274137 LCGFEUVPOQQDMB-UHFFFAOYSA-N 532.578 3.864 50 10 KHGE N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084316506 RKVVJEOAVRWTGS-MHWRWJLKSA-N 504.768 3.822 50 10 KHGE C=CCOc1c(I)cc(C=NNC(=O)c2ccncc2)cc1I 1084585313 KGWVNQPFXLSIGP-UHFFFAOYSA-N 533.107 3.620 50 10 KHGE C=C(CO[C@H](NC(=O)CCl)C(Cl)(Cl)Cl)CO[C@H](NC(=O)CCl)C(Cl)(Cl)Cl 1614949940 QSWOITQRVLRWCZ-UWVGGRQHSA-N 533.878 3.678 50 10 KHGE O=C(c1c[nH]c2c(I)cc(Br)cc2c1=O)N(CCCl)CCCl 1866452718 ZMESVTLBBCMQQL-UHFFFAOYSA-N 517.976 3.815 50 10 KHGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179789974 YCVVGTMHTNMAAN-JKSUJKDBSA-N 536.311 3.679 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2349646213 LWBUHKPYCORNQG-HOTGVXAUSA-N 505.703 3.582 50 10 KHGE C[C@@H](Br)CN1CCN(Cc2ccc(I)c(Br)c2)CC1 2349857152 PHWXXRFXIPEOHQ-LLVKDONJSA-N 502.032 3.955 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H]2CC[C@@H]([C@H]1F)N2C(=O)OC(C)(C)C 2377102215 UOZIZYKVVHHHPE-JEZSTIGHSA-N 523.693 3.815 50 10 KHGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)Cc1cccc2ccccc12 13986941 SHQGJOIIMWFLJV-UHFFFAOYSA-N 506.809 3.899 50 10 KHGE Cc1ccc(Cl)c2c1NC(=O)/C2=N\NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 15018404 IKWRUMIDNFHNJV-UYRXBGFRSA-N 503.902 3.800 50 10 KHGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 101332738 HTHBFWCASJUKER-NLRVBDNBSA-N 571.659 3.562 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)cc3O)n2-c2ccccc2)cc1OC 254498869 GYOVJBOVGKHGHP-UHFFFAOYSA-N 505.556 3.605 50 10 KHGE C[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)C[C@H](CBr)O1 721505522 BNBKRWIROKMATE-SCZZXKLOSA-N 502.972 3.678 50 10 KHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2ccc(I)c(Br)c2)C1 721510384 MZWUGXJCQFDJMH-ZJUUUORDSA-N 502.972 3.678 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749293 KQTKRMHGKPAQCI-UHFFFAOYSA-N 515.389 3.957 50 10 KHGE COc1cc2c(cc1OC)[C@@H](C)N(CN1C(=O)/C(=N\NC(=O)c3cccnc3)c3cc(Br)ccc31)CC2 2087582 FITCDTKPCLSMAS-NZPZRMIISA-N 564.440 3.919 50 10 KHGE Cc1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2O)cc1 14134843 WTBOTXKOMUIIRE-QGMBQPNBSA-N 506.081 3.674 50 10 KHGE COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1I 100051759 WZAOSWJZDSFSSC-UHFFFAOYSA-N 536.153 3.787 50 10 KHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)c1 100087193 IWWHQUDEQOTXQZ-UHFFFAOYSA-N 541.855 3.539 50 10 KHGE NNC(=O)c1csc(COc2c(I)cc(Cl)cc2I)c1 711235831 LRQDNUQMCOUSLX-UHFFFAOYSA-N 534.544 3.793 50 10 KHGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccc(Cl)cc1 1084362658 PIALGZGRBCJPQN-UHFFFAOYSA-N 503.939 3.596 50 10 KHGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCCc1ccccc1 1772760236 DNYPXNZBASFNJZ-SFHVURJKSA-N 531.638 3.758 50 10 KHGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2C1CCN(C(=O)OCc2ccccc2)CC1 2049399085 LUGATTWELBZXBV-OSFYOIPJSA-N 513.372 3.951 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@H](CBr)OCC12CC2 2183973604 COUSCZMAMFJEHN-JTQLQIEISA-N 514.983 3.822 50 10 KHGE Cc1ccc(C=CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1 2318707767 WOLRNLYQXCDFBC-UHFFFAOYSA-N 527.530 3.892 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2366900152 UZDNVMDQFOOPTN-DEOSSOPVSA-N 508.330 3.537 50 10 KHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14030637 HFXUNXJLHJHICO-UHFFFAOYSA-N 514.829 3.852 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080748 JKVDQASBSDQUBF-UHFFFAOYSA-N 565.671 3.653 50 10 KHGE COc1cc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc(Br)c1O 103751680 CGLGVCKCLUCXKU-MRUKODCESA-N 513.373 3.752 50 10 KHGE C/C(=N\NC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc(Br)cc1 104769120 BJPHKOYCHFESPL-FSJBWODESA-N 563.394 3.651 50 10 KHGE CC(=NNC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccc(OCc2ccccc2F)cc1 263631574 BLXAZLBIDKQSJC-UHFFFAOYSA-N 512.505 3.772 50 10 KHGE CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C=NNC(=O)CCCO)c3ccccc32)cc1 1084645012 WQLZVODARQYNNY-IXWSDTCWSA-N 523.589 3.511 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCCN1CCOCC1 1865687192 LRKGZIGYBIZIEP-AREMUKBSSA-N 554.022 3.970 50 10 KHGE CCc1ccc([C@@H](C)NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2325103500 JKDJYTCGWGHZPO-QGZVFWFLSA-N 503.024 3.620 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(Br)cc1 100056815 RIFYNSNXADRVKP-UHFFFAOYSA-N 551.029 3.888 50 10 KHGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100080916 QHTZJVYIPSTBPS-UHFFFAOYSA-N 597.285 3.853 50 10 KHGE CC(C)c1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)cc1 1084090503 XQQFWEAPJCZLGT-UHFFFAOYSA-N 565.652 3.900 50 10 KHGE COc1cc(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720607 UECKYXDFQLMKPW-UHFFFAOYSA-N 554.468 3.521 50 10 KHGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687564 VCOCWZVVHRHRQD-HHHXNRCGSA-N 547.631 3.961 50 10 KHGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)cc2)C1 2044693723 NQJBDLQDJGEOIK-UHFFFAOYSA-N 525.465 3.754 50 10 KHGE C[C@@H]([C@H](Br)c1ccc(Br)cc1I)S(=O)(=O)N(C)C 2086149682 QTRVRBXNAVWQDC-CPCISQLKSA-N 511.017 3.770 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C 2200968138 BYUPFQBTWKHTFL-SFHVURJKSA-N 515.698 3.850 50 10 KHGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C(=O)OCCOC)c1C 2329703441 YHMSHLIRACAALQ-UHFFFAOYSA-N 502.545 3.599 50 10 KHGE N#CC1=C(N)n2c(s/c(=C/c3ccccc3C(F)(F)F)c2=O)=C(C#N)[C@@H]1c1cccc(C(F)(F)F)c1 2335028 SJECQSSKSPFUTE-MMWCCMKASA-N 518.442 3.899 50 10 KHGE Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(C)c(Br)c3)cc2)cc1Br 100059790 PHMLJFTVOOCYFX-UHFFFAOYSA-N 588.256 3.978 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccccc1Cl 100076996 ZGKWFIHFEAWSJZ-UHFFFAOYSA-N 535.645 3.888 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccc(OC)cc3)cc2OC)cc1 254401788 BJRJOYGWPZSJML-UHFFFAOYSA-N 505.527 3.801 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc3c(cc2Br)OCO3)cc1 1084160989 WMBMEHORVQTJQM-UHFFFAOYSA-N 601.479 3.520 50 10 KHGE CC[C@H](c1ccc2c(c1)CCCC2)N1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960548 DMORYAPSAVXTHS-DSNGMDLFSA-N 503.647 3.642 50 10 KHGE Cc1cnc(-n2cnc(I)c2I)cc1CBr 1905020634 NFBNKKIBJMWXPV-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1c(N)cc(Br)cc1Br 2181746017 USEKGRAKPHNKAP-UHFFFAOYSA-N 565.375 3.978 50 10 KHGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 38659746 RRUAEMFKNNDXHP-RUZDIDTESA-N 503.467 3.815 50 10 KHGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4Cl)c(C)c32)cc1 40815302 OOMALCNQVVBHNT-LGUFXXKBSA-N 514.991 3.644 50 10 KHGE COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 100227893 IWYIPMGLCLUQLI-UHFFFAOYSA-N 537.002 3.823 50 10 KHGE COc1cc(C=NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 254505428 CPLDAHFEOXQSAP-SZPZYZBQSA-N 556.619 3.778 50 10 KHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1OC 2313617264 VMDMBRBJUXBDMH-UHFFFAOYSA-N 587.290 3.651 50 10 KHGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214272577 WAEIHENUHLKVGH-PKAZHMFMSA-N 585.686 3.808 50 10 KHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1 252605137 GGKBDZUPIRKBMX-UHFFFAOYSA-N 516.963 3.993 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530988 UNUCCJSFGMVRKV-RCLSKHPJSA-N 602.084 3.677 50 10 KHGE biogenic CCc1ccc2c(c1)C(=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)C(=O)N2C 1084604111 HGYYBYXRCFVFER-UHFFFAOYSA-N 504.612 3.558 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(N)cc(Br)c1Cl 2181744710 HOAVWSHUAVIAJO-UHFFFAOYSA-N 520.924 3.869 50 10 KHGE COc1ccc(C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(OC)c(OC)c2OC)c(OC)c1OC 2297708485 MTUGWPRUWBHMDO-UHFFFAOYSA-N 558.632 3.679 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CC2(CC[C@H](CBr)O2)C1 2361988965 QIYOSCXPJNWKHK-SNVBAGLBSA-N 514.983 3.822 50 10 KHGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cc(Br)c(O)c(I)c1 58886927 YDAQYTCMTYEGGZ-IXJMWADBSA-N 503.134 3.723 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 100202064 QDYDMGQBUUOOIQ-HNNXBMFYSA-N 546.443 3.731 50 10 KHGE COc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869866 GWNUWBXFAIOUQO-ACXHZZMFSA-N 569.998 3.864 50 10 KHGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101471756 XDYSSQSSAYAXCQ-UHFFFAOYSA-N 533.332 3.683 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 104424909 MFBLJRCRJXXDGQ-UVHMKAGCSA-N 622.489 3.949 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858955208 LOMUCLIOVFYGNT-UHFFFAOYSA-N 534.344 3.765 50 10 KHGE O=S(=O)(C[C@@H](Br)c1ccc(I)c(Br)c1)N1CCCC1 2089394013 QRACVCDKJTWSFL-LLVKDONJSA-N 523.028 3.915 50 10 KHGE COc1ccc(C=C(C#N)C(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1OC 2329700303 KZFOLJKNXHUHTC-RUZDIDTESA-N 528.561 3.972 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)ccc1Cl 14040732 DHGPMPHYMLHIJG-UHFFFAOYSA-N 514.003 3.821 50 10 KHGE O=C(NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-])c1ccccc1Br 40647321 JXGQCBVHYKMREP-UHFFFAOYSA-N 509.118 3.805 50 10 KHGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 206489933 HMDBBXUOIQIPLI-SILNSSARSA-N 503.555 3.890 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(O)ccc3ccccc23)Cc2ccccc2)cc1OC 254444080 XCNUWBRBRHNNPC-UHFFFAOYSA-N 533.606 3.904 50 10 KHGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2)C[C@@H](C)O1 1554268749 CTPXKAKBZPVSMY-SMZHQUJHSA-N 575.691 3.539 50 10 KHGE COc1cc(C=NNC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720048 FFAUWTPDJRUBEX-UHFFFAOYSA-N 594.577 3.509 50 10 KHGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1OC 1772746399 BRZYLRURXJPZDN-UHFFFAOYSA-N 534.569 3.885 50 10 KHGE CC(C)Oc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1859006057 ASSPCCSPJACBCQ-UHFFFAOYSA-N 527.555 3.832 50 10 KHGE O=C(NC[C@H]1C[C@H](Br)C1)c1cc(I)cc(I)c1O 2076190684 GFUXXZUIKVKJKD-LJGSYFOKSA-N 535.945 3.505 50 10 KHGE COCCO[C@H]1[C@@H](Oc2cc(Br)cc(I)c2)C[C@H]1Br 2338888155 ZQPZTIIEXZPTEI-FRRDWIJNSA-N 505.972 4.000 50 10 KHGE BrCCCN1CCN(Cc2ccc(I)c(Br)c2)CC1 2349862123 ZLMUBVVSOAKABC-UHFFFAOYSA-N 502.032 3.956 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)c(Br)c1 13978618 MPRTXWWPKDWSIO-UHFFFAOYSA-N 516.417 3.644 50 10 KHGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccc(Cl)cc4Cl)c3[N+](=O)[O-])CC2)cc1 40611233 OZIMMGAQGWSLCN-UHFFFAOYSA-N 518.361 3.784 50 10 KHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1ccccc1[C@H](C)CC 100094274 CFAAIPXVCVQKDP-OYRHEFFESA-N 540.661 3.637 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 101405938 GHDOGMUHSPKXHT-QWQBBLJPSA-N 559.556 3.780 50 10 KHGE CCN1CCN(c2ccc(NC(=O)C(Cl)Cl)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 103161001 DZQQUPRRQYBMHM-HXUWFJFHSA-N 525.502 3.927 50 10 KHGE Cc1ccccc1C(=O)/N=c1\[nH]nc(CC(=O)NN=Cc2ccccc2OCCOc2ccc([N+](=O)[O-])cc2)s1 254506348 XNMABFRZXMMICM-UHFFFAOYSA-N 560.592 3.580 50 10 KHGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 254750364 MWCXDQLECBDBTI-UHFFFAOYSA-N 571.608 3.512 50 10 KHGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 254753005 TWJFWRPKWDKUQL-UHFFFAOYSA-N 541.560 3.965 50 10 KHGE CC[C@](C)(NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867250182 HTVIDPJSEYRUDX-AVRDEDQJSA-N 528.436 3.981 50 10 KHGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1ccc(I)c(Br)c1 2206496610 AURDCKUEXOHJMX-NWDGAFQWSA-N 514.983 3.869 50 10 KHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 2313619180 JQBRHLJHESGJKM-UHFFFAOYSA-N 527.238 3.634 50 10 KHGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)=C(C#N)C1=O 2314611451 UJFHYRHWABYDPC-UHFFFAOYSA-N 571.659 3.562 50 10 KHGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 14035410 YWQAXPJCVQUUNQ-UHFFFAOYSA-N 514.829 3.852 50 10 KHGE Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C\C(=O)OCC(=O)NNC(=O)c1cccs1 33489893 DZDVSSVKTYQKTO-HJWRWDBZSA-N 507.399 3.934 50 10 KHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCOC)c(Br)c1 100201737 WEYVIJWEBYYVEO-HNNXBMFYSA-N 538.464 3.702 50 10 KHGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)ccc1OC(C)=O 1084102167 CJJCEWZSDWNUCP-UHFFFAOYSA-N 500.143 3.675 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 1858673680 LYOBFYXLOWRAMD-UHFFFAOYSA-N 525.568 3.537 50 10 KHGE CC[C@H](c1ccc2c(c1)CCCC2)N1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960550 DMORYAPSAVXTHS-UBFVSLLYSA-N 503.647 3.642 50 10 KHGE CCN1CC[C@H]([C@@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2089530382 GNABKPILJYGIQE-NEPJUHHUSA-N 523.028 3.914 50 10 KHGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1cc(I)ccc1Br 2206484508 JGFOBRYWHIYVPN-RYUDHWBXSA-N 514.983 3.869 50 10 KHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 2313630110 JUEKSPFJQJWQCB-UHFFFAOYSA-N 520.449 3.869 50 10 KHGE BrCCOCc1cn(Cc2ccc(I)c(Br)c2)nn1 2349920502 JTURHKDEEOWCRY-UHFFFAOYSA-N 500.960 3.605 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2371394193 PBXUHWUJJKRVIH-SAHWJRBASA-N 519.730 3.973 50 10 KHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2C)c1 13976327 SWYSAGSPEIFHPL-UHFFFAOYSA-N 508.438 3.669 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14657200 FQGZYICVNYECBR-UHFFFAOYSA-N 500.404 3.513 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCC(=O)O 59198885 GSUTXSQEDDXDMQ-CHHVJCJISA-N 506.296 3.926 50 10 KHGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100218990 ZWLFVZQGHXDGAB-HUTJOEHLSA-N 589.224 3.960 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104768155 FEUAERBOBLWPGI-AUEPDCJTSA-N 539.361 3.805 50 10 KHGE COc1ccc(/C(C)=N\NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)c(OC)c1 104769285 YOUVNRYBZDKPHQ-QFEZKATASA-N 533.452 3.851 50 10 KHGE N#C/C(=C/Nc1cccc(S(=O)(=O)O)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216486165 KFLJFSATSUNJRR-ATJXCDBQSA-N 502.596 3.686 50 10 KHGE Cc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084256103 WREHGWWIWKNPCH-UHFFFAOYSA-N 505.575 3.974 50 10 KHGE CS(=O)(=O)c1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1 2079261254 BTYWIYMBGHYJGV-UHFFFAOYSA-N 509.085 3.794 50 10 KHGE O=C(NC[C@@]1(CBr)CCCO1)c1ccc(Br)cc1I 2142284153 YWQIEMLHNGRKMD-ZDUSSCGKSA-N 502.972 3.728 50 10 KHGE Cc1cc(I)cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 2295482949 HBJNTFRACLWCRB-UHFFFAOYSA-N 569.355 3.955 50 10 KHGE COC[C@]1(CBr)C=CCN1C(=O)c1ccc(Br)cc1I 2379838715 NPAMUQJYLHZJQA-CQSZACIVSA-N 514.983 3.846 50 10 KHGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623223 KSJBMXMDCBAJLZ-OAQYLSRUSA-N 522.399 3.691 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40625063 PHTKDBBIFOBTFA-UHFFFAOYSA-N 509.266 3.561 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)c(Br)c1 100158310 IQBYTGZOULMMQU-UHFFFAOYSA-N 558.454 3.930 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 100199497 UEQCHULSQWKAFM-UHFFFAOYSA-N 552.447 3.518 50 10 KHGE Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 103534223 YFYKNZWEICRPJL-ZVBGSRNCSA-N 530.706 3.736 50 10 KHGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OC)[C@@H]1OCc1ccccc1 206614618 ZXDTXTMEFLROMN-ZNOUKXQUSA-N 536.741 3.896 50 10 KHGE CSc1sc(I)cc1C=NNC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 254696966 GXQAARSVOHFCHC-IBGZPJMESA-N 603.467 3.933 50 10 KHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCc4ccccc4Br)c(=O)c23)C1 1860770983 FJCUUFFQEQBZMC-UONOGXRCSA-N 517.449 3.687 50 10 KHGE O=C1CC[C@@H](N2C(=O)c3cccc(NC(=O)CCCCCOCCOCCOCCCCCCI)c3C2=O)C(=O)N1 2080392379 QZIUVZMTAVRENH-HSZRJFAPSA-N 685.556 3.632 50 10 KHGE N#CC(=Cc1cc(I)c(OCc2ccccc2)c(I)c1)C(N)=O 2313533888 PNDKQKMNEFVOEK-UHFFFAOYSA-N 530.103 3.867 50 10 KHGE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)CC1 33900238 DWYWWQNIGYUORO-FXBPSFAMSA-N 529.597 3.727 50 10 KHGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)c1 101013648 YGODRDWEYRCLRM-QJOMJCCJSA-N 562.648 3.973 50 10 KHGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 214219937 IVVVQNCRERBIQZ-JLPGSUDCSA-N 529.622 3.792 50 10 KHGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2cc(I)ccc2Br)C1 2121336486 GZRZCGQSIVKTPV-FDMGOTLNSA-N 520.927 3.922 50 10 KHGE CCc1cc(B(O)O)ccc1NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285003488 ARWLDXAQVXHUIL-MHZLTWQESA-N 500.404 3.821 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314618704 SBCQHCBPKDSUEB-UHFFFAOYSA-N 609.664 3.946 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1I 13982195 RBTPHCMIFULMEW-UHFFFAOYSA-N 515.307 3.627 50 10 KHGE CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(SC#N)c1C 14017391 YSVDJAQEIZUEJG-CQSZACIVSA-N 511.622 3.985 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14030194 FNLZKUMWBWALIH-UHFFFAOYSA-N 514.829 3.996 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1ccccc1O 252463041 YITDSMDIWWITSV-UHFFFAOYSA-N 568.677 3.838 50 10 KHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860771829 JADWNMSXTRICLB-VXGBXAGGSA-N 509.415 3.820 50 10 KHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(I)ccc2Br)C[C@@H]1Br 2130821022 IABURBPOCAHBKU-KPXOXKRLSA-N 502.972 3.724 50 10 KHGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999383 XSLHLDQPXZTFFP-UHFFFAOYSA-N 519.623 3.711 50 10 KHGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1N1CCN(c2cccc(Cl)c2)CC1 40728277 JEXKHQNDIGNUPD-UHFFFAOYSA-N 502.804 3.558 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596841 VNKBHADNQBMBIO-NLRVBDNBSA-N 525.359 3.601 50 10 KHGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)c1 1084003298 QLTFRCNWFWDIFY-UHFFFAOYSA-N 519.023 3.681 50 10 KHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720876 ZPMJNXYDFFJOAL-UHFFFAOYSA-N 608.604 3.899 50 10 KHGE CCN1CC[C@H]([C@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2089523881 QWWHYEANZPBVKY-VXGBXAGGSA-N 523.028 3.914 50 10 KHGE C[C@H](Br)[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CCO1 2117513345 DUBUJULMSPQMRV-QPUJVOFHSA-N 502.972 3.678 50 10 KHGE CCN(CCOCCBr)C(=O)c1ccc(Br)cc1I 2142285756 ULLJNVQAJMPJPU-UHFFFAOYSA-N 504.988 3.927 50 10 KHGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 100161643 JHJWWMYTJPWIHE-UHFFFAOYSA-N 544.427 3.621 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(I)c2)cc1 150430163 GZYCOXOHTLOVMS-BPDXMKQKSA-N 666.250 3.810 50 10 KHGE O=C(NCCCCI)c1ccc(I)c(Br)c1 721576303 FAUVRHYMLXMCNX-UHFFFAOYSA-N 507.935 3.999 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1083997343 CWQSBMJSKIFHFE-UHFFFAOYSA-N 646.722 3.753 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084391663 FGAFIXBBLTZUGY-UHFFFAOYSA-N 590.452 3.849 50 10 KHGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1OC 1084523966 FGFXUMXPANUTIM-UHFFFAOYSA-N 560.470 3.850 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)c2ccccc2)cc1 1084553195 QCTOGTNWBSNZEP-UHFFFAOYSA-N 545.459 3.869 50 10 KHGE Cc1c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cccc1[N+](=O)[O-] 1858677272 NQZTYLSCGHFJHC-UHFFFAOYSA-N 525.568 3.917 50 10 KHGE CCN(CC)c1ccc(C=C2CCC(C=NNC(=O)Cn3nnc(-c4ccccc4)n3)=C2N2CCOCC2)cc1 2053614919 PPYLKIBLDJRSGP-UHFFFAOYSA-N 540.672 3.752 50 10 KHGE CC[C@H](NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc2c(c1)CCCC2 2325092754 FKOPRSWVOIKCNN-MHZLTWQESA-N 506.672 3.855 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C 2377102217 UOZIZYKVVHHHPE-YDGQEPMXSA-N 523.693 3.815 50 10 KHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1 12570819 DFMFDKXIJNTRIX-UHFFFAOYSA-N 501.362 3.552 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1Br 14647787 DIAHHZHSHXYEAK-UHFFFAOYSA-N 500.802 3.606 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1I 100103027 WGSGOGNWUUITKY-UHFFFAOYSA-N 582.645 3.730 50 10 KHGE CNS(=O)(=O)c1ccc(C(C)=NNC(=O)c2ccc(CN(Cc3cccnc3)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 254844015 FRPKGQSZCUTYKY-UHFFFAOYSA-N 621.741 3.543 50 10 KHGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4cccc(Cl)c4)c(C)c32)cc1 1772748190 JHPUAROCMSPKSO-UHFFFAOYSA-N 514.991 3.644 50 10 KHGE CCOC(=O)Cc1cc(CBr)c(I)cc1I 2055238318 UIBISPQSHYPBOH-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC1CCCCC1 2164513862 MAVUZERRNFCVHT-IIBYNOLFSA-N 503.434 3.664 50 10 KHGE Cn1ncc(-n2c(CCCl)nc3cc(I)ccc32)c1I 2280056559 KOCWJJCMQBWEHW-UHFFFAOYSA-N 512.520 3.750 50 10 KHGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 101013766 BBZRGCDQSJNBAE-PQJNJFQBSA-N 531.638 3.546 50 10 KHGE O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NNC(=O)c1ccc2cc(C(=O)NNC(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)ccc2c1 150431148 MKBCNVQVWXZVED-UHFFFAOYSA-N 714.702 3.515 50 10 KHGE C=C/C(=C/C(=O)C[C@@H](C)C[C@H](C)CC[C@@H](O)[C@@H](C)C(=O)C[C@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C1=C(C)C(=O)OC1=O)CC 1082881197 VAIBGAONSFVVKI-QMNYYTFNSA-N 606.753 3.946 50 10 KHGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1 1084128330 ABGTYZUJBLBOHV-UHFFFAOYSA-N 517.361 3.703 50 10 KHGE CCOc1ccc(C(=O)NN=Cc2cc(I)cc(I)c2O)cc1 1084487299 PBZPHHXULAWWIK-UHFFFAOYSA-N 536.107 3.764 50 10 KHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 2313617053 ZLMDKAMJGRGYEW-UHFFFAOYSA-N 557.264 3.643 50 10 KHGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc(OC)c1OC 12583681 BFTDUHBGLTWXRZ-ZVBGSRNCSA-N 502.159 3.767 50 10 KHGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 101332808 UJFHYRHWABYDPC-NLRVBDNBSA-N 571.659 3.562 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1 725394664 POXZNUYTWSMPRS-UHFFFAOYSA-N 509.584 3.511 50 10 KHGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(I)c(=NC(=O)c3ccccc3)nc2O)C[C@H]1O 2037814801 QSWAJPXMUTXLHR-KZNAEPCWSA-N 571.488 3.605 50 10 KHGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(OC)c1OC 2293523563 OBTLLXYSPPTQMN-UHFFFAOYSA-N 502.571 3.700 50 10 KHGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2CC(=O)OC)cc(OCC)c1OCC 2313682962 OOOBVZVAFBUMEZ-UHFFFAOYSA-N 581.651 3.967 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c1 2314619527 AGEKCGGCUKBHQZ-UHFFFAOYSA-N 601.685 3.725 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2350361854 UXXQDTRUXYKFGZ-LMGVVVSRSA-N 505.703 3.629 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 110189657 XUQPDPVPQDQCFW-NLRVBDNBSA-N 512.591 3.870 50 10 KHGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 214259631 RXMPIECLYQMOCI-CCPXZDFDSA-N 585.686 3.951 50 10 KHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc(OC)c3)cc2OCC)cc1 254745116 NLNOWTUPPLUCSW-UHFFFAOYSA-N 505.527 3.801 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)OC(C)(C)C)[C@H]31 2378007189 FUBOIUYTERPTKI-IDWIBACSSA-N 517.714 3.581 50 10 KHGE C[C@H](Oc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1)C(=O)O 59247806 FDBZUGYJOQVWCF-PQDFQZGZSA-N 500.143 3.593 50 10 KHGE O=[P@](O)(c1ccccc1)c1ccccc1OCCOCCOc1ccccc1[P@](=O)(O)c1ccccc1 60230782 RECVDCOYYAVOFU-UHFFFAOYSA-N 538.473 3.603 50 10 KHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 100087166 SNGVMXRMHSINMC-UHFFFAOYSA-N 562.273 3.884 50 10 KHGE COc1ccc(C(=O)NCCCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)cc1OC 1772720141 GJIAODQLRPOZEM-UHFFFAOYSA-N 579.606 3.609 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2283972317 QWOFECUKAXVXOB-MQNRADLISA-N 508.330 3.537 50 10 KHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 40814925 MAIQWDAHQIGUPY-NLRVBDNBSA-N 506.475 3.561 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 101595501 IPRZHEDZRQYMCT-ZXVVBBHZSA-N 539.386 3.904 50 10 KHGE C[C@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H](CBr)O1 235648136 YBZLJGLCWGSWRI-WPRPVWTQSA-N 502.972 3.678 50 10 KHGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CCCl)c3ccccc32)c1 252617659 KXXWHMPKBVPCRX-QEHIRTJESA-N 532.984 3.581 50 10 KHGE C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21)[C]1OC=CS1 607739032 JHSHVHKAQAEJQZ-BMXSWSLJSA-N 519.607 3.550 50 10 KHGE COC(=O)[C@H]1O[C@@H](ONCCN(CCBr)c2ccccc2Sc2ccc(C)cc2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 888086495 WPHLPZAOFMXPBQ-IODDDSCESA-N 711.628 3.870 50 10 KHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1Cl 1084311994 CAQOTEZVGVTWME-UHFFFAOYSA-N 557.816 3.705 50 10 KHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(F)c(CBr)cc1F 2368824359 GDVSAAKBCJYRLE-LJQANCHMSA-N 505.312 3.626 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3ccc4ccccc4n3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 263621988 XFMJRLJCUHDBBO-RRUSVCGUSA-N 573.690 3.663 50 10 KHGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)c(OC)c1 1084564011 YOUVNRYBZDKPHQ-UHFFFAOYSA-N 533.452 3.851 50 10 KHGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720357 LNOKILJAEVMXEJ-UHFFFAOYSA-N 614.449 3.973 50 10 KHGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1ccc(OC(=O)N2CCOCC2)cc1 3013951 MYSVYORQAJEDJJ-LJQANCHMSA-N 522.359 3.888 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(I)c2)cc1 150430219 SZVGULUDIJHQHR-SFQCIDFKSA-N 652.223 3.722 50 10 KHGE Cc1c(-c2ccc(C=NNC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)ccc([N+](=O)[O-])c1C 254512349 KSRGOCIUAPBOQP-UHFFFAOYSA-N 500.475 3.604 50 10 KHGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccc(Br)cc1 1084467315 MGWONADLCNFVMB-UHFFFAOYSA-N 548.390 3.705 50 10 KHGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc2ccccc2c1 1084599850 DGJYOBOINXIQNI-UHFFFAOYSA-N 512.404 3.972 50 10 KHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC3)cc1 1772748197 SMBPRNYNVNPHCB-UHFFFAOYSA-N 506.475 3.940 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858956714 NVMAAOKDUMZYKF-UHFFFAOYSA-N 507.883 3.795 50 10 KHGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2268679643 OXJOMLLFUKQTJW-SSOJOUAXSA-N 506.433 3.511 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12491983 RPHIQXYVQJCIMS-UHFFFAOYSA-N 508.600 3.818 50 10 KHGE CCCCCN1C(=O)/C(=N/NC(=O)CCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 33959386 NVEZZAJMKXEHRQ-XAYXJRQQSA-N 515.408 3.635 50 10 KHGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)c1 100250084 VAPHIZFWABCVNK-UHFFFAOYSA-N 559.280 3.961 50 10 KHGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccccc3)cc2)cc1 254744738 VZDYGAIOQDSKAP-UHFFFAOYSA-N 509.584 3.513 50 10 KHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)c(OC)c3)cc2OCC)cc1 254877896 MFDHINIOFVAIGO-UHFFFAOYSA-N 549.580 3.601 50 10 KHGE Cc1c(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 725405511 FACZLBLNHMFGGB-UHFFFAOYSA-N 556.019 3.623 50 10 KHGE Cc1c(CS)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1B(O)O 1887515876 HSABPRAUHILTOW-UHFFFAOYSA-N 516.472 3.793 50 10 KHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1OC 2313624988 HYNUVODBBGAFCV-UHFFFAOYSA-N 536.448 3.704 50 10 KHGE Cc1ccc(C)c(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 12488490 MHWNDYMIUGWXBO-UHFFFAOYSA-N 500.187 3.742 50 10 KHGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 101727646 RIBFKMNPFIXLTR-LGJNPRDNSA-N 531.059 3.944 50 10 KHGE COc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1 1084627463 DBUAMXWPYKAAGR-UHFFFAOYSA-N 532.416 3.812 50 10 KHGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3Br)c(C)c21 1772749752 QLSQNGCWCPVADQ-UHFFFAOYSA-N 513.348 3.797 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CCOC[C@@H](CBr)C1 2142281570 RPYJCEVGUJWIFG-VIFPVBQESA-N 502.972 3.537 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2268652475 URMXITXPKWYXLY-PUAOIOHZSA-N 506.795 3.912 50 10 KHGE N#CC(=Cc1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 2313623878 GWHFCBAHROZFQQ-UHFFFAOYSA-N 535.398 3.978 50 10 KHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 2313630128 LNOBTAHKWUHUBX-UHFFFAOYSA-N 550.475 3.878 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)c(Br)c1 14030635 SSZBYMWNUJPUBC-UHFFFAOYSA-N 508.438 3.761 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1Br 100081889 WZCLCMFIMAWNPW-NSHDSACASA-N 535.247 3.933 50 10 KHGE CCOC(=O)C1=c2sc(=Cc3ccccc3C(F)(F)F)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 252671091 MRBSHWSPUNLABU-LJQANCHMSA-N 565.495 3.938 50 10 KHGE O=C(O)COc1ccc(F)cc1/C=N\NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1 675032141 SVHIKSPSTLQBFF-RMORIDSASA-N 511.940 3.569 50 10 KHGE O=C(NN=Cc1c(O)ccc2ccccc12)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1083938311 YQCHXSRUYKEDFG-UHFFFAOYSA-N 516.417 3.859 50 10 KHGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084244054 XFIGIVQBWIKQCD-UHFFFAOYSA-N 533.009 3.737 50 10 KHGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 1772719962 AGJIOWFQEUSMAG-UHFFFAOYSA-N 564.551 3.500 50 10 KHGE CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860773191 SDKYKIICNKROBP-IPPBACCNSA-N 517.611 3.523 50 10 KHGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)=C(C#N)C1=O 2314611482 VEGDFZUFHDZTCV-OAQYLSRUSA-N 585.686 3.951 50 10 KHGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)c1 10283832 FYODFASJDKIOLS-UHFFFAOYSA-N 514.829 3.852 50 10 KHGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 101231083 PSTDZTJPHVXFQO-LFVJCYFKSA-N 527.606 3.568 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611489 KAKDLGFYSQYEAT-ZXVVBBHZSA-N 539.386 3.661 50 10 KHGE CCCCN1C(=O)C(=NNC(=O)CCC(=O)NN=C2C(=O)N(CCCC)c3ccc(C)cc32)c2cc(C)ccc21 1772719989 BJDDMHLWYSSGJM-UHFFFAOYSA-N 544.656 3.718 50 10 KHGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3ccccc3)cc2)cc(OC)c1OC 1772720362 LPUVYSXFHMPCQQ-UHFFFAOYSA-N 519.554 3.592 50 10 KHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1cc(Br)ccc1I 2097945088 IPHZJDYPXBDJLQ-VHSXEESVSA-N 502.972 3.726 50 10 KHGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1cc(I)ccc1Br 2195496979 PYOWYVFWOKYNJX-ONGXEEELSA-N 516.999 3.974 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2268647995 URMXITXPKWYXLY-LMKMVOKYSA-N 506.795 3.912 50 10 KHGE C[C@@H](Br)CN(CCC(C)(C)C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2288046852 DAHZVUOPAOZRMN-QVKFZJNVSA-N 505.450 3.862 50 10 KHGE C/C(=N/NC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1 33906390 UCUHFWIFSHROPY-HSMHNTNPSA-N 518.371 3.697 50 10 KHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 38658400 DLNWREQCRJMHEX-VWLOTQADSA-N 503.467 3.815 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825283 WUDJXQBBGMMHSY-YZSQISJMSA-N 506.544 3.598 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(Cl)cc2)cc1 725433520 SEZNHWPASLXEMR-UHFFFAOYSA-N 513.019 3.682 50 10 KHGE Cc1cc(OCC(=O)NN=Cc2ccccc2Cl)nc(SCC(=O)NN=Cc2ccccc2Cl)n1 1084195380 LCJGJAZZBJPYQJ-UHFFFAOYSA-N 531.425 3.863 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C(=O)Nc2ccc(SC#N)cc2)cc1 1866851364 DZUJUCOAPNAOPP-HSZRJFAPSA-N 503.584 3.767 50 10 KHGE O=S(=O)(CCOCCCl)Nc1cc(Br)c(Br)c(Br)c1 1877119659 NBIMGBRHZMSRPZ-UHFFFAOYSA-N 500.434 3.971 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CCOC[C@@H](CBr)C1 2098237103 KJXCHORWYDRMET-VIFPVBQESA-N 502.972 3.537 50 10 KHGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 101483885 VOKPGAUOPCVCTQ-UHFFFAOYSA-N 564.422 3.678 50 10 KHGE C[C@H](Oc1c(Cl)cccc1/C=N\NC(=O)c1cc(F)ccc1NS(=O)(=O)c1cccs1)C(=O)O 675031825 PDZGLSRAKUZEKC-RQSOKRQSSA-N 525.967 3.957 50 10 KHGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2cc(OCc3ccc(F)cc3)ccc2Br)cc1 1083952873 IAWJJGUOTDCENY-UHFFFAOYSA-N 534.407 3.904 50 10 KHGE CCOc1cc(C=NNC(=O)CCNC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720560 QQMXTHDKTBEORT-UHFFFAOYSA-N 549.580 3.601 50 10 KHGE CCO[Si](CCCNC(=O)CCOCCOCCOCCNC(=O)O[C@@H]1CC/C=C/CCC1)(OCC)OCC 2060005947 ZXQAFZQBZKLJGI-LAUDKDLHSA-N 576.804 3.596 50 10 KHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl 12570121 ZYDVXRSBOYBFMO-LLVKDONJSA-N 517.822 3.855 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 100195932 XNWVNNZLQZJVQK-UHFFFAOYSA-N 545.253 3.633 50 10 KHGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100200691 WMLNQVKOWVNZBN-UHFFFAOYSA-N 581.055 3.839 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100203468 URCBMQWVGSONPL-OAHLLOKOSA-N 546.443 3.731 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1ccccc1 104768504 UCRQMVBHYNBMQN-FOKLQQMPSA-N 554.268 3.912 50 10 KHGE C[C@@H](NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C12CC3CC(CC(C3)C1)C2 217040486 VHYWXWCVWQJZSV-QRYCXIMTSA-N 533.094 3.901 50 10 KHGE CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(OCc2cccc3ccccc23)c(OC)c1 254429481 WMXRRASHQANDJC-UHFFFAOYSA-N 583.653 3.969 50 10 KHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)CC1 1772748203 OPTDTHMKMZENPI-UHFFFAOYSA-N 516.938 3.645 50 10 KHGE C#CCc1c(C)c(B(O)O)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887515325 FABPSWXETMZWMS-UHFFFAOYSA-N 508.427 3.538 50 10 KHGE CCOC(=O)[C@H]1C[C@H](OCc2cccc(I)c2)[C@H](I)C1 2367353083 QMGFFNOPQQAOQL-BNOWGMLFSA-N 500.114 3.953 50 10 KHGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 33358175 SLVGBYSBKPMCTI-LJQANCHMSA-N 523.347 3.802 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2cc(Cl)ccc2O)nnc1-c1ccccc1Br 58990215 UULCZMJWSZFEOR-FOKLQQMPSA-N 509.817 3.803 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Br)c1 100285239 NMUJHEHRMAQYGP-IZZDOVSWSA-N 535.420 3.769 50 10 KHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)CC1 101614560 SDIMRWYGAGXQNQ-XKJRVUDJSA-N 529.409 3.603 50 10 KHGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c1 214435491 XISCFNVMPFTAIF-ONUIUJJFSA-N 540.576 3.720 50 10 KHGE C[C@H](C(=O)NCCCBr)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865890666 GYXZPZSUMQDURB-RXMQYKEDSA-N 842.773 3.991 50 10 KHGE CCOC(=O)Cc1cc(I)c(CBr)cc1I 2055237589 BZZJXBUJEALDRY-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2ccc(CCl)cc2)CC1 2236203708 XAFQXXMFSHFHKR-UHFFFAOYSA-N 518.076 3.904 50 10 KHGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1 2297635190 AIXIAWILZQXBCZ-UHFFFAOYSA-N 546.696 3.878 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2350361850 UXXQDTRUXYKFGZ-DUQZYUJVSA-N 505.703 3.629 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)N/N=C/[C@]12CC[C@@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 253531005 YEVINKRLYXDIIZ-VSSAXRRBSA-N 601.140 3.842 50 10 KHGE biogenic C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253564945 HCYAVLSGNPQQGL-BHGWPJFGSA-N 622.405 3.740 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OC)c3OC)nc3ccccc3c2=O)cc1 254556107 BDSIYWGEWYEQOC-UHFFFAOYSA-N 534.594 3.663 50 10 KHGE C=C(CO[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl)CO[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl 1614949939 QSWOITQRVLRWCZ-NXEZZACHSA-N 533.878 3.678 50 10 KHGE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 39984770 CIVDVMCWVVMWEC-LGMDPLHJSA-N 504.615 3.879 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 100040452 UGDWASNSVXZRKE-UHFFFAOYSA-N 600.242 3.980 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)COc3ccc(C(C)(C)C)cc3)cc2)cc1 100060768 LXGCQIPKGXFOHT-UHFFFAOYSA-N 574.678 3.962 50 10 KHGE C/C(=N\Nc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)[nH]1)c1ccc(Br)cc1 104461455 FOIGWRBRQNYQTK-FOKLQQMPSA-N 522.816 3.610 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 14647846 ZQKQYVZNIUBPLN-UHFFFAOYSA-N 521.437 3.782 50 10 KHGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1I 100175981 PZEKXZLOMXDDAS-LBPRGKRZSA-N 547.187 3.908 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101067260 KQTKRMHGKPAQCI-BUVRLJJBSA-N 515.389 3.957 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751431 BRLFYNKVPYSIPJ-UHFFFAOYSA-N 583.425 3.893 50 10 KHGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865708814 GOUDQIMNWONEKG-IBGZPJMESA-N 507.513 3.693 50 10 KHGE O=C(C=Cc1ccc(F)cc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2330899527 AUFVYHSRKJTTIB-UHFFFAOYSA-N 513.503 3.583 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2350352615 GBVKLUBXSNKHKM-XCGNWRKASA-N 505.703 3.582 50 10 KHGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)CC1 40816334 NTHMCZJMGQGSPE-OVVQPSECSA-N 507.418 3.908 50 10 KHGE COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)(C)C)C(C)(C)C 299852999 CUXBSWCTEGIRQD-SYQUUIDJSA-N 646.833 3.814 50 10 KHGE in-vitro COC(=O)c1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 725419659 CRUZZOLNBIEBEK-UHFFFAOYSA-N 558.454 3.619 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 1084131248 MFBLJRCRJXXDGQ-UHFFFAOYSA-N 622.489 3.949 50 10 KHGE O=C(c1ccc(Br)cc1I)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2207262121 PIBSDFWXRCHLIW-ZWKOPEQDSA-N 514.983 3.821 50 10 KHGE BrC[C@]12COC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349858155 PABFGCLLHFDAKD-FZMZJTMJSA-N 501.000 3.897 50 10 KHGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc(Br)cc1Cl 14016927 ARBONBPMICRASK-UHFFFAOYSA-N 511.800 3.975 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100082321 NKWGLSHIZBEWTC-NSHDSACASA-N 535.247 3.933 50 10 KHGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 2314737205 REZIEDJTWPPVCF-UHFFFAOYSA-N 509.518 3.510 50 10 KHGE COc1ccccc1N(CC(=O)NN=Cc1ccccc1Br)S(=O)(=O)c1ccccc1 1083958256 IAAFUWRCMRCYRK-UHFFFAOYSA-N 502.390 3.803 50 10 KHGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)c(OC)c1 1084204597 YHNFVXRCEBMUMN-UHFFFAOYSA-N 533.452 3.851 50 10 KHGE Cc1cc(Br)c(S(=O)(=O)NC[C@@H](Br)CBr)cc1Br 2052802879 KNCCJWBGVQSLKY-ZETCQYMHSA-N 528.886 3.957 50 10 KHGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2cc(Br)ccc2I)C1 2121338878 WCRYVJQTHJCOGY-NWJBQHJCSA-N 520.927 3.922 50 10 KHGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2132364333 HHPZQWDEJFISTQ-GOEBONIOSA-N 504.244 3.832 50 10 KHGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1cc(Br)ccc1I 2178906223 IXNVMDAPIKZMKS-WDEREUQCSA-N 516.015 3.593 50 10 KHGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1ccc(Br)cc1I 2207267811 NOBXBBBVOFKXRH-NEPJUHHUSA-N 514.983 3.869 50 10 KHGE CSCC1(NC(=O)OC(C)(C)C)CC(NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2350359720 XSVSLYDQJZVBEE-UHFFFAOYSA-N 525.759 3.726 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 40870115 REZIEDJTWPPVCF-RCCKNPSSSA-N 509.518 3.510 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1 58893829 LYPMMARPGOFUAZ-DAFNMPDCSA-N 513.772 3.929 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(=O)OCC)cc1 100189249 VQFAQWVMKLSXMW-UHFFFAOYSA-N 552.447 3.519 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602236 BJCUGZOPBAZLLK-YZSQISJMSA-N 554.903 3.603 50 10 KHGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCCc1ccccc1 256028501 QIAQPJAFSLVDBP-UHFFFAOYSA-N 522.450 3.755 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccc(C(=O)OC)cc1 1084146916 MAWRMQDLBJPHBM-UHFFFAOYSA-N 590.447 3.710 50 10 KHGE CCC[C@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1867074506 RFNJLLCNUAYSEB-QMPJNXRZSA-N 500.646 3.837 50 10 KHGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCOCC3)c2)C1 2314476454 OVKWUWUKHHJZHJ-ZRZAMGCNSA-N 559.692 3.972 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](CBr)C(F)(F)C1 2364217384 VCNOEEXPISSFSW-OAHLLOKOSA-N 507.397 3.525 50 10 KHGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)c1 10672069 RFNNGOPVIQLMFI-LBPRGKRZSA-N 514.829 3.994 50 10 KHGE CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20615946 GJLAQROBCUCCNH-YROGYJPXSA-N 515.570 3.538 50 10 KHGE biogenic COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 205964128 UBPIPFWFKSXAPD-JJIBRWJFSA-N 516.554 3.681 50 10 KHGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207185088 KMURQIWLUZMGBO-SJNNKZHMSA-N 506.555 3.877 50 10 KHGE COc1cc(OC)c(OC)cc1C=NNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252610223 HZIULXVBRZTZDX-GFCKTTFPSA-N 504.499 3.542 50 10 KHGE COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)NN=Cc4cccc(F)c4)[C@H]3C)c1OC)OCO2 254590270 XLXUQUYSHFXAIM-QLJPJBMISA-N 508.300 3.548 50 10 KHGE O=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccccc3[N+](=O)[O-])cc2)cc1 1084402071 RCLWNOYTPVUEJN-UHFFFAOYSA-N 600.569 3.864 50 10 KHGE COc1ccc(C(=O)NCCCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 1772720012 CFUBOQZTEPBQSU-UHFFFAOYSA-N 549.580 3.601 50 10 KHGE CCC[C@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866894590 URKZYCBZBLPQEG-DEOSSOPVSA-N 505.644 3.856 50 10 KHGE COc1ccc(CN2C(=O)C(=CNNC(=O)c3ccc(CSc4nncn4C)cc3)c3ccccc3C2=O)cc1 2042445379 LKKRCPPQAVCNLE-UHFFFAOYSA-N 554.632 3.574 50 10 KHGE Cc1ccc(-n2cnc(I)c2I)c(CBr)n1 2244521594 BOFYKJHEQSFFML-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE Cc1scc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2343510034 FXYMYFXHPGPQTD-UHFFFAOYSA-N 502.533 3.992 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1 100079268 HPCNMWVWYIYZKI-UHFFFAOYSA-N 573.469 3.821 50 10 KHGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 101335878 IKBBFBWKSKQWGW-VFCFBJKWSA-N 615.712 3.579 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Br)cc2)Cc2ccccc2)cc1OC 1084146531 XIEPHZXGZMNHGQ-UHFFFAOYSA-N 546.443 3.808 50 10 KHGE Cc1ccc2c(c1)C(=NNC(=O)CCCC(=O)NN=C1C(=O)N(CC(C)C)c3ccc(C)cc31)C(=O)N2CC(C)C 1772720539 PBVZIXIZMBPOEG-UHFFFAOYSA-N 558.683 3.820 50 10 KHGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865686954 GBYVALOMTFGRDN-RUZDIDTESA-N 531.613 3.516 50 10 KHGE CN1CC[C@H]([C@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2029056408 ZCUPUTQWFLWDGT-GHMZBOCLSA-N 509.001 3.524 50 10 KHGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2295927519 ZEMPKJKZRBWKQE-UHFFFAOYSA-N 507.937 3.891 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314620732 TYFLQDQSZYGXKT-UHFFFAOYSA-N 555.547 3.619 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCC12CN(C(=O)OC(C)(C)C)C2 2349642912 RDTCUFSZUJBBPG-QFIPXVFZSA-N 505.703 3.727 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)cc1I 100151868 XYWZZRDFTTZRAS-UHFFFAOYSA-N 541.411 3.674 50 10 KHGE Cc1ccccc1OCCOc1ccc(C=NNC(=O)Cc2n[nH]/c(=N\C(=O)c3ccccc3C)s2)cc1 254825549 GWNKWDATQQXRRY-UHFFFAOYSA-N 529.622 3.980 50 10 KHGE CCOc1cc(C=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)ccc1O 1084433483 KKBRDJWZQBDPCD-UHFFFAOYSA-N 519.425 3.548 50 10 KHGE CCN1CC[C@@H]([C@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2089522969 LXDLHDMGPPYPHO-NWDGAFQWSA-N 523.028 3.914 50 10 KHGE CN1CCC[C@H]([C@@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2089535182 KCHDNGRJSSNOSS-NEPJUHHUSA-N 523.028 3.914 50 10 KHGE CN1CCC[C@H]([C@@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2142285945 WVIFYTDZGGTXDS-NEPJUHHUSA-N 523.028 3.914 50 10 KHGE CN1CCN(C(=O)c2cc(Br)ccc2I)[C@@H](CCBr)C1 2202833647 DDKOWNHSYRLCLY-NSHDSACASA-N 516.015 3.595 50 10 KHGE Brc1cc(CN2CCN3C[C@@H](Br)C[C@@H]3C2)ccc1I 2349848541 UKIRVLHPUOSTKV-NWDGAFQWSA-N 500.016 3.707 50 10 KHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(Br)c1 13623341 WGRFPZNOCJMVMW-VQIMIIECSA-N 502.409 3.538 50 10 KHGE O=C(CCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc(Br)cc1Br 100112584 HKEVGMQVEITCGZ-UHFFFAOYSA-N 542.224 3.694 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100228334 MVSSIIKEHLJISO-UHFFFAOYSA-N 596.095 3.697 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 101606002 VWXWUIXSLGEAOH-JVWAILMASA-N 500.342 3.835 50 10 KHGE CC(=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccccc1O 252629328 UDPUHHRSRIMTDX-UHFFFAOYSA-N 502.390 3.890 50 10 KHGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCOCC3)c2)C1 101014157 OVKWUWUKHHJZHJ-QQJOZCOBSA-N 559.692 3.972 50 10 KHGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(C#C[Si](C)(C)C)cc1B(O)O 1887522710 HKWWFOMFXGYSDN-UHFFFAOYSA-N 552.556 3.970 50 10 KHGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(CCl)cc1 2140758925 AVXXCKAQJGMYNW-UHFFFAOYSA-N 506.065 3.902 50 10 KHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 2313624977 CYNXRTOWYLOPCY-UHFFFAOYSA-N 506.422 3.695 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CC2(CC[C@H](CBr)O2)C1 2361872477 HSUOKBPQGQTRHL-SNVBAGLBSA-N 514.983 3.822 50 10 KHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100087057 JQBRHLJHESGJKM-RMKNXTFCSA-N 527.238 3.634 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)CC1CCCC1 100431673 IVMKUDLCDRAJNT-UHFFFAOYSA-N 507.248 3.501 50 10 KHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 254874049 BVRXZCBEEALVCH-NOESGIFHSA-N 519.554 3.651 50 10 KHGE O=C(NN=Cc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccc4c(c3)OCO4)cc2)cc1 1084116047 YKAKZMJCWIEPOR-UHFFFAOYSA-N 598.593 3.505 50 10 KHGE Cc1nc(I)c(I)n1C[C@@]1(CBr)CC1(F)F 1904744600 BAEUEMNXTFCZRC-QMMMGPOBSA-N 516.893 3.821 50 10 KHGE Cc1sc(CNC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2285019836 RGYWSSJSSZNUOV-DEOSSOPVSA-N 520.460 3.614 50 10 KHGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(I)cc1 2294510779 HECZGQWPFQOTHG-UHFFFAOYSA-N 519.320 3.744 50 10 KHGE COc1ccccc1NCc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1-c1ccccc1 20923095 WXQXJAGARZMPFP-UHFFFAOYSA-N 506.563 3.580 50 10 KHGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCC#N 58891581 FUSQFKDZMFFOQT-SMNNTEATSA-N 507.328 3.556 50 10 KHGE O=C(NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-])c1cc(Br)ccc1OCCc1ccccc1 100207297 RADVTCDZTWTSBZ-UHFFFAOYSA-N 543.399 3.928 50 10 KHGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 102849695 JRFPRIKKHCBOTC-JZJYNLBNSA-N 548.559 3.839 50 10 KHGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 206673787 PANIIVMZJDDXGU-IUXPMGMMSA-N 506.427 3.937 50 10 KHGE CCOc1cc(C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC(=O)c1ccccc1 254623966 MLQZNBUESOVODR-UHFFFAOYSA-N 515.551 3.912 50 10 KHGE C[C@H](Oc1c(Cl)cccc1C=NNC(=O)c1cc(F)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159600 PDZGLSRAKUZEKC-LBPRGKRZSA-N 525.967 3.957 50 10 KHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)c1ccccc1Br 1084240453 GRLNGRCUEVSMPY-UHFFFAOYSA-N 516.417 3.944 50 10 KHGE O=C(Nc1c(I)ncnc1I)c1ccc(CBr)cc1 2121032988 KLRGHOXNMULHGX-UHFFFAOYSA-N 543.928 3.833 50 10 KHGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 2297464362 CIVDVMCWVVMWEC-UHFFFAOYSA-N 504.615 3.879 50 10 KHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14016300 FOFQQYFZZWLSBL-FQEVSTJZSA-N 513.660 3.947 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 14660412 BRDSJYLXTVGZAQ-UHFFFAOYSA-N 514.829 3.913 50 10 KHGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 100313944 SCVMBLREBHUCIY-QFIPXVFZSA-N 510.660 3.720 50 10 KHGE O[C@@H](CBr)COc1c(I)cc(I)cc1I 163104065 CTZBSYVOYPMYPO-LURJTMIESA-N 608.777 3.635 50 10 KHGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1C 725383366 XVLFPCOSFISTHR-SSEXGKCCSA-N 619.769 3.617 50 10 KHGE O=C(N[C@@H](C[S@](=O)C[C@H]1C[C@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877465699 VYLPSXAFSPGXBB-ZUGLXHJFSA-N 506.418 3.901 50 10 KHGE Cc1nc(I)c(NC(=O)[C@H](Br)C2CCCC2)c(I)n1 2121867278 ACNPUVYXTOBBME-MRVPVSSYSA-N 549.976 3.886 50 10 KHGE O=C(Oc1ccc(C=NNC(=O)[C@H]2COc3ccccc3O2)cc1)c1ccccc1I 2296647814 CFBLQMCLZBJRLG-OAQYLSRUSA-N 528.302 3.801 50 10 KHGE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)CCN1C(=O)C(=Cc2cccs2)SC1=S 2297331986 SDVWZIDCNZKCMX-UHFFFAOYSA-N 594.812 3.840 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100082362 ULFMXCBMJGXOMW-UHFFFAOYSA-N 547.475 3.991 50 10 KHGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1cccc(I)c1 100449580 APUCJUXXDXXVJW-UHFFFAOYSA-N 509.525 3.547 50 10 KHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615020 RGTPVHBWVUMBEA-IPBVOBEMSA-N 526.365 3.554 50 10 KHGE CC(=O)OCC(=O)Nc1c(I)cc(I)c(CCl)c1I 196585084 BUNBDSCLWKFQHS-UHFFFAOYSA-N 619.362 3.741 50 10 KHGE CC(C)CN1C(=O)C(=NNC(=O)CCCCC(=O)NN=C2C(=O)N(CC(C)C)c3ccccc32)c2ccccc21 254440415 FOPJBJYBJANMGB-UHFFFAOYSA-N 544.656 3.593 50 10 KHGE O=C(N/N=C/C=N/NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 725410835 ICRBLLPEWRODHD-FBTWWBQESA-N 674.630 3.949 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749108 QGZWERJQAJRXBJ-UHFFFAOYSA-N 523.387 3.825 50 10 KHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1I 12581378 AWGJGCKLQAJFNS-UHFFFAOYSA-N 506.127 3.778 50 10 KHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14039096 GSWKUXCRWYATOX-UHFFFAOYSA-N 500.802 3.604 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615056 DOTUZHFSHZTIQP-XKJRVUDJSA-N 567.374 3.561 50 10 KHGE CC(C)(C)OC(=O)NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 226084333 VJZQCLUHXUVMQC-FTKITBLRSA-N 502.993 3.705 50 10 KHGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 725415348 ZWLFVZQGHXDGAB-GOSISDBHSA-N 589.224 3.960 50 10 KHGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 1084326234 RCURMGOIIZDBGN-UHFFFAOYSA-N 536.610 3.564 50 10 KHGE Cc1c(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(Cl)nn1-c1ccccc1 1084485323 IMIMLOXPAAOLGO-UHFFFAOYSA-N 524.828 3.513 50 10 KHGE O=C(C=Cc1ccc2c(c1)OCO2)NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 2042445773 FICARTHTLPZYFT-UHFFFAOYSA-N 527.558 3.752 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)OCCc2ccccc2)c(Br)c1 14010998 ZAEUMNIYAFZNEW-UHFFFAOYSA-N 505.409 3.839 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1ccncc1 104768892 RTPNCHYXTOOUIE-UVHMKAGCSA-N 538.431 3.638 50 10 KHGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCOCC3)c2)C1 213224820 VVLCNNJQORLVHI-PCCDRTMGSA-N 545.665 3.726 50 10 KHGE COc1c(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254705801 COYLDJZXISWRBX-LJQANCHMSA-N 550.499 3.979 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)OC 2313566932 DSQNUSKOAHUUGN-UHFFFAOYSA-N 528.403 3.655 50 10 KHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 9229844 JTAWQBGISCKFRE-OVCLIPMQSA-N 503.540 3.504 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 100063700 HDPKYTPABKWKOR-CABCVRRESA-N 528.197 3.782 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 100202534 ASHLETICEXICFC-UHFFFAOYSA-N 581.055 3.839 50 10 KHGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 101335223 HAPUUHZBAYAVDU-ZXVVBBHZSA-N 585.686 3.953 50 10 KHGE COc1cc(/C=C\C(=O)Nc2ccccc2C(=O)NNC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 102930693 WWGGUNPPXAWWFR-HEEUSZRZSA-N 591.617 3.865 50 10 KHGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1OC 252597710 CUANLXKCVIDUFA-UHFFFAOYSA-N 511.600 3.838 50 10 KHGE COc1ccc(CC(=O)NN=Cc2cccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1OC 254401409 UFNVOUFOGNEINY-UHFFFAOYSA-N 508.527 3.642 50 10 KHGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3cccnc3)[C@@H]2C)c(Br)c2c1OCO2 254833532 IIQOOMLFUZZTAQ-BJOHPYRUSA-N 540.168 3.558 50 10 KHGE O[C@H](CBr)COc1c(I)cc(Cl)cc1I 379904654 JOYJSNNMBWSLDG-ZCFIWIBFSA-N 517.326 3.684 50 10 KHGE Cc1ccc(C(=O)NN=Cc2cc(I)cc(I)c2O)cc1 1084162190 WTBOTXKOMUIIRE-UHFFFAOYSA-N 506.081 3.674 50 10 KHGE CCOc1cc(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720631 URHHHIAKMQYVOQ-UHFFFAOYSA-N 538.469 3.902 50 10 KHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CCO1 2117513340 DUBUJULMSPQMRV-PELKAZGASA-N 502.972 3.678 50 10 KHGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(OCC)c1OCC 2313681527 HEIAMMNKIXWLFC-UHFFFAOYSA-N 511.535 3.722 50 10 KHGE COc1cccc(C=CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)c1 2330172990 VEGMBELYULMHIZ-UHFFFAOYSA-N 529.502 3.549 50 10 KHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 10276368 DXIMEWQKEAETFW-ZDUSSCGKSA-N 500.404 3.512 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041097 WCRDOQPYNDYWDL-UHFFFAOYSA-N 514.003 3.821 50 10 KHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC)cc1 14655730 DPVGICQXDXUHNW-UHFFFAOYSA-N 507.410 3.536 50 10 KHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 101615036 ONZDBEHBZJQVTI-VVEOGCPPSA-N 536.404 3.961 50 10 KHGE CCOC(=O)c1ccccc1C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccccc1I)C=2I 252670573 LAPZYJBSKDHXDH-IBGZPJMESA-N 681.293 3.511 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751850 OCZZVPHDBALUCO-UHFFFAOYSA-N 563.405 3.583 50 10 KHGE BrCCCN1CCCN(c2ncc(I)cc2Br)CC1 2340848103 XKHMMQZPWXTKIG-UHFFFAOYSA-N 503.020 3.746 50 10 KHGE Cc1ccc(C)c(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 14008581 QGVXKXFNNVQJSG-ZDUSSCGKSA-N 500.187 3.822 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14031322 MWZKHKRCRHWIFB-UHFFFAOYSA-N 500.802 3.606 50 10 KHGE O=C(CSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1)NNC(=O)C(F)(F)F 20837136 FXAAZQGLXKYJJR-YPXUMCKCSA-N 511.489 3.950 50 10 KHGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccc(O)cc1O 254292351 JNSRFLIIOJPBDP-UHFFFAOYSA-N 506.609 3.980 50 10 KHGE COc1cccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1083907631 IICOULYNXNDEGL-UHFFFAOYSA-N 578.691 3.741 50 10 KHGE COc1cc(OC)c(C=NNC(=O)CNc2ccc(I)cc2)cc1Br 1084229933 XBYBVQRWBURPLC-UHFFFAOYSA-N 518.149 3.633 50 10 KHGE Brc1cc(CO[C@H]2COC[C@H]2I)ccc1I 1904373705 JXSYRSYFUQCCPT-MNOVXSKESA-N 508.919 3.773 50 10 KHGE C[C@@H](NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc2c(c1)CCCC2 2325118061 LRVOJPLRYVFBDO-GOSISDBHSA-N 529.062 3.936 50 10 KHGE C[C@@]1(CBr)CC(F)(F)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213304 GGPZOSVOSUTUCZ-IBGZPJMESA-N 507.397 3.667 50 10 KHGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778301 ITSHASXJVFCKQZ-LGMDPLHJSA-N 526.368 3.861 50 10 KHGE O=C(CBr)c1cc2cc(I)cc(I)c2oc1=O 100513530 MXTWBGPEHKSSDU-UHFFFAOYSA-N 518.870 3.580 50 10 KHGE Cc1ccc(P(c2cc(S(=O)(=O)O)c(C)cc2C)c2cc(S(=O)(=O)O)c(C)cc2C)c(C)c1 106804950 NEMUVAGIEOWPGX-UHFFFAOYSA-N 506.582 3.789 50 10 KHGE CCOC(=O)C1=c2sc(=Cc3cc(Br)ccc3F)c(=O)n2C(N)=C(C#N)[C@H]1c1cc(Br)ccc1F 252674734 SKNOWIZNMLGLLA-LJQANCHMSA-N 623.273 3.704 50 10 KHGE O=C(CCl)c1c(I)cc(I)cc1I 575715312 VXPOOVLXCZFOFF-UHFFFAOYSA-N 532.284 3.922 50 10 KHGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)ccc1OCC(=O)N(CC)CC 1865706824 GJPWEOYQKKSSQS-RUZDIDTESA-N 516.602 3.694 50 10 KHGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2123210977 SAJMQBKAXYPQLH-GJZGRUSLSA-N 504.244 3.690 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201783252 GZILLORDEBUCEN-YGRLFVJLSA-N 514.983 3.822 50 10 KHGE CN1CCN(C(=O)c2cc(I)ccc2Br)[C@H](CCBr)C1 2202835908 ZUGYZJJXUREHAN-LLVKDONJSA-N 516.015 3.595 50 10 KHGE C=CCOc1c(I)cc(C=C(C#N)C(=O)OCC)cc1I 2313533880 DDMNMEBMPQCGFQ-UHFFFAOYSA-N 509.081 3.931 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC2(CC2)N(C(=O)OC(C)(C)C)C1 2350351733 AHCOCJAKPAGCBI-JOCHJYFZSA-N 505.703 3.869 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 14028026 ZDJVWNGXLQQGHA-UHFFFAOYSA-N 514.401 3.986 50 10 KHGE N#CC1=C(N)n2c(sc(=Cc3ccccc3C(F)(F)F)c2=O)=C(C#N)[C@@H]1c1cccc(C(F)(F)F)c1 254342139 SJECQSSKSPFUTE-LJQANCHMSA-N 518.442 3.899 50 10 KHGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3cccnc3)[C@@H]2C)c(Br)c2c1OCO2 254833535 IIQOOMLFUZZTAQ-VFZGTOFNSA-N 540.168 3.558 50 10 KHGE CC1=C(Br)C(=O)[C@](C)(Br)[C@H](Br)C1=NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2053611757 QUVPCCJRVQBBMH-TZMCWYRMSA-N 559.030 3.893 50 10 KHGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1ccc(I)c(Br)c1 2279416101 VKNIJRRTVOFGQK-MWLCHTKSSA-N 516.999 3.974 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 9696154 LHCDYVICWVWPRT-CYBMUJFWSA-N 502.390 3.714 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 100242231 DYKOQESZHVFQNT-UHFFFAOYSA-N 535.622 3.589 50 10 KHGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1ccc(Cl)cc1Cl 1084533140 JROSGANFKDVYOB-UHFFFAOYSA-N 524.302 3.606 50 10 KHGE COc1ccc2c(c1)C(=NNC(=O)CCC(=O)NN=C1C(=O)N(CCC(C)C)c3ccc(OC)cc31)C(=O)N2CCC(C)C 1772719900 MXLWGMSOEVDUQN-UHFFFAOYSA-N 604.708 3.610 50 10 KHGE CSCC[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866898622 FPJUSMBLDLRABU-XMMPIXPASA-N 537.711 3.809 50 10 KHGE O[C@@H](CBr)c1cc(I)cc(I)c1I 1951722586 PHKRCMGEHHUSNE-ZETCQYMHSA-N 578.751 3.929 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2269564192 SZLSVHSELACYMR-VWLOTQADSA-N 506.795 3.912 50 10 KHGE COCCCNC(=O)/C(C#N)=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O 33393499 JPVQNZVLIGOMSS-PLRJNAJWSA-N 507.594 3.961 50 10 KHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 38683320 WWGGKVYQDBNPIF-DEOSSOPVSA-N 501.451 3.584 50 10 KHGE O=S(=O)(/N=C1/C=C/C(=N\S(=O)(=O)c2ccccc2)[C@@H](Br)[C@H]1Br)c1ccccc1 101051778 DMRSNQOTECEXAV-CPRNOTFYSA-N 546.262 3.743 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 101696450 BYXFTCYPILZZTF-XMHGGMMESA-N 548.552 3.797 50 10 KHGE COc1cc(OC)c(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c(OC)c1 254310884 YKCRKVOKJLEXKG-UHFFFAOYSA-N 518.595 3.962 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cccc(Br)c3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642447 GDAPGKILSITURB-COVNGFGYSA-N 601.538 3.878 50 10 KHGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCn3ccnc3)c2)C[C@H](C)O1 2314476910 XURPPIWKVWFAJA-ZEQRLZLVSA-N 599.717 3.647 50 10 KHGE Brc1cc(CN2CCN3C[C@@H](Br)C[C@H]3C2)ccc1I 2349848542 UKIRVLHPUOSTKV-RYUDHWBXSA-N 500.016 3.707 50 10 KHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 14032446 PJEXEEVXDDMCQU-UHFFFAOYSA-N 514.829 3.996 50 10 KHGE O=C(CSc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1)NNC(=O)c1ccc(F)cc1 20923754 JHBHVFWNLQKZOB-MZJWZYIUSA-N 519.562 3.522 50 10 KHGE COC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 100284185 XPIXJTSZCVFEED-CMBCABCVSA-N 575.197 3.569 50 10 KHGE COc1ccc(CCNS(=O)(=O)c2cc(NC(=O)C(Cl)Cl)ccc2N2CCCC2)cc1OC 103148748 KTEMWPUMJNWNIS-UHFFFAOYSA-N 516.447 3.567 50 10 KHGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 252594805 BUTSAYKNZLMEIS-UHFFFAOYSA-N 578.691 3.822 50 10 KHGE O=C(NN=Cc1cc2c(cc1Br)OCO2)c1ccc(C(=O)NN=Cc2cc3c(cc2Br)OCO3)o1 254305353 NWVVTMAEZJIMKV-UHFFFAOYSA-N 606.183 3.790 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC(C)=O)c(OC)c3)nc3ccccc3c2=O)cc1 254481815 NSDHGUKVQYSULA-UHFFFAOYSA-N 562.604 3.579 50 10 KHGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(I)c1O 254568021 YZDFLUPMEZQYNX-JTZSADJTSA-N 584.414 3.993 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)COc3ccccc3)cc2)cc1 1858993486 OMNNMVXZEYGOSL-UHFFFAOYSA-N 510.597 3.508 50 10 KHGE CSCc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1859006205 IOHMUAFGDFVRND-UHFFFAOYSA-N 529.596 3.908 50 10 KHGE CN(C[C@H](Br)C1CCCCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2167652699 UROPNQYGKRZIII-GHTZIAJQSA-N 503.434 3.616 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2285018910 OIEXEIOSSXXETN-QHCPKHFHSA-N 508.330 3.537 50 10 KHGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl 40784513 GCWNDBNABZSNCV-UHFFFAOYSA-N 511.167 3.642 50 10 KHGE COc1c(C(=O)N/N=C2\C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)ccc2ccccc12 59148297 SFIGSEJSEOGRGK-GDWJVWIDSA-N 518.529 3.625 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100081800 QKXIDOFUSQAZRH-UHFFFAOYSA-N 580.096 3.997 50 10 KHGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)O 1084147739 JCCHLFLVEPUYMN-LDADJPATSA-N 514.376 3.567 50 10 KHGE C[Si@]1(CCCOC[C@@H]2CO2)O[Si@@](C)(CCCOC[C@H]2CO2)O[Si@@](C)(CCCOC[C@H]2CO2)O[Si@](C)(CCCOC[C@@H]2CO2)O1 2042436251 BLZDTVROPKIJLZ-MKEGNOCWSA-N 697.088 3.576 50 10 KHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)CCC(CCl)CCl)C1 2084715837 PCDMPUAFPXCMAB-HXUWFJFHSA-N 508.512 3.511 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc4ccccc4n3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642628 XFMJRLJCUHDBBO-FHHWCCOQSA-N 573.690 3.663 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1Br 100196004 KDOPRGVWIPRFLG-UHFFFAOYSA-N 559.280 3.887 50 10 KHGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 100212834 UPJFKNBIFCAEOC-UHFFFAOYSA-N 543.399 3.928 50 10 KHGE COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)ccc1I 103868206 AJWGPLAUTWXZGN-OPEKNORGSA-N 561.332 3.868 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccccc3)cc2OCC)cc1 254383920 OJRMULGEBRJXTK-UHFFFAOYSA-N 539.610 3.522 50 10 KHGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)COc3ccc(C)cc3[N+](=O)[O-])c2)cc(OC)c1OC 254545874 NOWSVAXNYWFHHE-UHFFFAOYSA-N 523.498 3.677 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1 725387436 LYPMMARPGOFUAZ-GOSISDBHSA-N 513.772 3.929 50 10 KHGE CC[C@@H](NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866845228 XNORPCGJLJAXSI-SJLPKXTDSA-N 529.669 3.691 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2268646707 LCDFLKJMUWCZPW-QLODZENZSA-N 506.433 3.559 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2350353032 HHKWLLZFNGWKQH-CPBBTPEFSA-N 505.703 3.581 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)ccc1Br 100088235 WSGONNZKMIIRPN-UHFFFAOYSA-N 565.671 3.653 50 10 KHGE O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)cc1 103756214 YKAKZMJCWIEPOR-IHXWQEJPSA-N 598.593 3.505 50 10 KHGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccc(CN4CCOCC4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 215669301 MMHLVMZAJQWPKO-ZYXUFYOGSA-N 572.699 3.666 50 10 KHGE biogenic CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1 254869057 IQJFAVKEELWAPE-UHFFFAOYSA-N 515.551 3.912 50 10 KHGE COc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 1084504683 HZTIJEHTYNIJLZ-UHFFFAOYSA-N 517.991 3.711 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743502 DJFOGACVGMEXEZ-UHFFFAOYSA-N 509.906 3.695 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2207259161 KEXYNAOEYUMFNP-KDDOJWQBSA-N 514.983 3.536 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2269567171 MWVHSNFKOYQVRH-VWLOTQADSA-N 506.795 3.912 50 10 KHGE COc1cc(SC#N)ccc1NC(=O)NC=C1C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 2297511451 LWGSJHCPINYEPX-UHFFFAOYSA-N 544.387 3.936 50 10 KHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)cc1 13621170 YPPOLMBNSPVVRW-XYOKQWHBSA-N 506.422 3.524 50 10 KHGE O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 103747084 TXDICFJUINWZPQ-LIMNOBDPSA-N 520.218 3.942 50 10 KHGE O=C(O)CN(Cc1ccccc1O)C[C@@H](Cc1ccc(NC(=O)CBr)cc1)N(CC(=O)O)Cc1ccccc1O 137644880 PJZDMOUUFZCTBD-XMMPIXPASA-N 614.493 3.516 50 10 KHGE C[C@H](Br)c1cn(-c2cc(I)cc(I)c2)nn1 690362910 HKDVBEHZVFFUOQ-LURJTMIESA-N 503.907 3.932 50 10 KHGE COc1ccc(OC)c(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 1084165529 JVUBSVAVYYSDRH-UHFFFAOYSA-N 560.470 3.850 50 10 KHGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 1084236133 UDJMAGJCLWUGAA-UHFFFAOYSA-N 600.569 3.864 50 10 KHGE O=C(CNc1cccc(N2CCCC2=O)c1)NN=Cc1cc(Br)cc(Br)c1O 1084434910 PREZXXDDVPTRHL-UHFFFAOYSA-N 510.186 3.606 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2377092461 SOLNNQQOYFJCFE-SEPYTNNBSA-N 519.730 3.973 50 10 KHGE Cc1ccc(C(=O)NNC(=O)c2ccc(C)c(I)c2)cc1I 105483708 IZAHVMHMFLZCPV-UHFFFAOYSA-N 520.108 3.587 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc4ccccc4n3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253531001 XFMJRLJCUHDBBO-FRUTYPEZSA-N 573.690 3.663 50 10 KHGE biogenic CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254766156 IDECHPOEFRZBBB-UHFFFAOYSA-N 533.581 3.982 50 10 KHGE CCOC(=O)COc1ccc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 725443157 LYRCUCFXKFJWKK-HXUWFJFHSA-N 554.381 3.596 50 10 KHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)Nc3ccc(Br)cc32)cc1 2297616510 DYDLRDOATGJWGH-UHFFFAOYSA-N 519.355 3.701 50 10 KHGE COc1ccc(OCC(=O)NN=C2C(=O)N(CN3CCc4cc(OC)c(OC)cc4[C@H]3C)c3ccccc32)cc1OC 2297659946 DRPJTOLYAXCSIK-LJQANCHMSA-N 574.634 3.544 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2350096203 JYGJKRQJJFESDK-MFKICJERSA-N 505.703 3.582 50 10 KHGE CCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2946235 DGVGWIXNVJHFKL-VVWUDNKZSA-N 500.599 3.639 50 10 KHGE biogenic COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 207177130 IKEWOWRMWRURAK-ULJHMMPZSA-N 524.529 3.746 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)N3CCCCC3)cc2)c2ccccc2F)cc1 1083965253 JOJCJRPWOURJOO-UHFFFAOYSA-N 566.655 3.871 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084136425 ZCOZNTZBBSTVQE-UHFFFAOYSA-N 515.975 3.783 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747032 KIRKMFXWNJLEBN-UHFFFAOYSA-N 522.377 3.652 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc(Br)cc3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642405 BBIBEWFLADSSMB-ZDYWHOCYSA-N 601.538 3.878 50 10 KHGE COC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 2313567743 NUMFVKBVJSCDBU-UHFFFAOYSA-N 610.246 3.861 50 10 KHGE CCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 38180297 CUGQGOUPMJTNJC-SLMZUGIISA-N 515.408 3.635 50 10 KHGE Cc1ccc(-c2c(C(=O)NN=Cc3ccccc3OCc3ccc(F)cc3)nnn2-c2nonc2N)cc1 254315548 AEVVRJGGQQPOEC-UHFFFAOYSA-N 512.505 3.690 50 10 KHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748209 OSXNTXHUXCBTJF-UHFFFAOYSA-N 523.933 3.624 50 10 KHGE C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866635336 MVWUUJRNUFSHMC-HNAYVOBHSA-N 544.058 3.893 50 10 KHGE Cc1sc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267545442 JHBXOYPFOCCZMG-UHFFFAOYSA-N 502.533 3.992 50 10 KHGE C[C@@H](Br)COCc1cn(-c2ccc(Br)c(I)c2)nn1 2278380119 JAEREGPMKWPYEM-MRVPVSSYSA-N 500.960 3.934 50 10 KHGE CC1(C)[C@@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1CC(=O)N/N=C/c1ccco1 34132491 AARCTNYOLASQTF-XDEFOSFOSA-N 502.616 3.638 50 10 KHGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1cccnc1 1084324503 YBOARXAUHOOMOM-UHFFFAOYSA-N 538.431 3.638 50 10 KHGE CC(C)(NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866630572 SLFZRCCECBWQDT-UHFFFAOYSA-N 507.037 3.990 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2285021756 WZOJRXJCFIMCLS-DWXRJYCRSA-N 520.460 3.901 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619415 ALFPTQYZOLVYJP-YZSQISJMSA-N 525.359 3.601 50 10 KHGE O=C(CCl)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 103174594 PFKKJWFFNYZAQS-UHFFFAOYSA-N 561.035 3.537 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccc(CC)c(OC)c1 105365410 FMRKJSMLHNDZBJ-WPWMEQJKSA-N 547.699 3.950 50 10 KHGE O=C1C(I)=Cc2oc3c(c2/C1=C\NNC(=O)c1cc(=O)[nH]c2ccccc12)CCCC3 135927874 KRQSMGDHXIWNLC-RVDMUPIBSA-N 527.318 3.634 50 10 KHGE N#CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084565297 VNHPYZQRTDPVKC-KRWDZBQOSA-N 589.171 3.762 50 10 KHGE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2313682523 FBDIZNRTHPBUQZ-UHFFFAOYSA-N 534.544 3.820 50 10 KHGE C[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C(/S)NC(=O)c1cc2cc(Br)ccc2oc1=O 3669154 VKALKLRTCMVBAQ-GFCCVEGCSA-N 541.383 3.618 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101341510 TYFLQDQSZYGXKT-PCLIKHOPSA-N 555.547 3.619 50 10 KHGE COc1cccc(C(=O)N/N=C/c2cc(I)c(OC)c(I)c2)c1 105660086 AAAFLDWYNVAFAX-DJKKODMXSA-N 536.107 3.677 50 10 KHGE CO[C@]1(CBr)CCN(C(=O)c2ccc(I)c(Br)c2)C1 721612788 JDJPMVDLDJPUBD-ZDUSSCGKSA-N 502.972 3.680 50 10 KHGE CCOc1cc(OCC)cc(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 1860769967 NQQDALOXMAJIBN-UHFFFAOYSA-N 506.584 3.692 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2OCC[C@@]2(CBr)C1 2296377174 DYJSZGFTJROUHQ-TZMCWYRMSA-N 514.983 3.680 50 10 KHGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1C(F)(F)F 2318454991 KIPJPDRVLNAMOA-UHFFFAOYSA-N 514.913 3.838 50 10 KHGE CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 12486452 KVUXPOFROXZUQP-UHFFFAOYSA-N 513.186 3.709 50 10 KHGE COc1cc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214437776 HEQCSMKQBVXLNZ-IWIPYMOSSA-N 518.566 3.755 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746680 ZKTQHQOUPSPNST-UHFFFAOYSA-N 554.357 3.804 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@H](CCBr)C1 2116234544 RVVNZKVWKLMKMB-SNVBAGLBSA-N 502.972 3.680 50 10 KHGE CN1CCN(Cc2ccc(I)c(Br)c2)[C@H](CCBr)C1 2349830831 DDUASODPAPKNRX-GFCCVEGCSA-N 502.032 3.955 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2350359006 ZWIJCUZVVIEZGQ-QFIPXVFZSA-N 505.703 3.869 50 10 KHGE CCOc1cc(/C=N\NC(=O)COc2ccc(OC)cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 34983668 OZOBSRSBWWJWRU-NTFVMDSBSA-N 508.527 3.859 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(c(O)c32)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O4)cc(OC)c1OC 105814795 HDTALITUGUDJSK-JWQCQUIFSA-N 614.611 3.880 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2COC[C@]2(CBr)C1 2234559261 NZPJTCXNYNNFDC-YGRLFVJLSA-N 514.983 3.537 50 10 KHGE O=C(C=Cc1cnc[nH]1)N1CC[C@H](I)[C@]2(CCCN2C(=O)OCc2ccccc2)C1 2297696875 QZHYHYBDXQZWIQ-UGKGYDQZSA-N 520.371 3.630 50 10 KHGE O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NN=Cc1cc(Br)c(O)c(Br)c1O 2297708190 MLCMXNFWNLWYSG-UHFFFAOYSA-N 523.521 3.714 50 10 KHGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314611632 YIKKVVRRIQTCRE-UHFFFAOYSA-N 529.622 3.790 50 10 KHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1 100081185 MOOMSJBEMHMMCU-UHFFFAOYSA-N 548.246 3.576 50 10 KHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1OC 100083797 VMDMBRBJUXBDMH-FNORWQNLSA-N 587.290 3.651 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 100201857 GWZYXWZSZLLRHJ-UHFFFAOYSA-N 585.480 3.984 50 10 KHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(OCC)c(O)cc2Br)sc(C(N)=O)c1C 103577892 YRYLGIRUZACELW-WUXMJOGZSA-N 522.377 3.745 50 10 KHGE COc1ccc(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)CC2)cc1 253624508 AXISLXOLACSPOR-NUWDIOMJSA-N 558.672 3.875 50 10 KHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc(OC)c1OC 254826664 HKBKFCRRKGDKMQ-UHFFFAOYSA-N 518.595 3.962 50 10 KHGE CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC 1083922707 RSZYNNBNCVKOHC-UHFFFAOYSA-N 586.623 3.755 50 10 KHGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1OC 1084083823 OGIJRHRVQTWJSN-UHFFFAOYSA-N 553.015 3.574 50 10 KHGE Cc1cccc(-n2c(C)cc(C=NNC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)c1 1084257167 OZCMHUXMOHSNNM-SSEXGKCCSA-N 619.769 3.617 50 10 KHGE O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cc(I)cc(I)c1O 1548338169 JOVMXCYOKJEDSB-UVHMKAGCSA-N 639.231 4.000 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCNC(=O)c3ccccc3Cl)cc2)cc1OC 1772720381 MJVAWQXATAHFTI-UHFFFAOYSA-N 509.946 3.847 50 10 KHGE O=C(NC[C@@]1(CBr)CCCO1)c1cc(Br)ccc1I 1879603545 CQNRQZZWKMBJLO-ZDUSSCGKSA-N 502.972 3.728 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@@H](CBr)OCC12CC2 2207262676 RXYFJSNCDLYXEA-SNVBAGLBSA-N 514.983 3.822 50 10 KHGE CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)cc1 2329663457 BYPPQRIMVWFARC-UHFFFAOYSA-N 505.394 3.783 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CC2(CC[C@@H](CBr)O2)C1 2361988964 QIYOSCXPJNWKHK-JTQLQIEISA-N 514.983 3.822 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2364213184 ALNJSTSRBCUDSG-KLIQENQMSA-N 501.418 3.511 50 10 KHGE COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)CCNC(=O)c3ccccc3Cl)cc2)cc(OC)c1OC 100869941 RHXYJSZZXWJFSB-UHBFCERESA-N 539.972 3.855 50 10 KHGE COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 102337417 OUAMXTCMCLFXHF-VBKFSLOCSA-N 506.569 3.888 50 10 KHGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 198740652 QJPRREXOGQWNHT-UVHMKAGCSA-N 653.214 3.995 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cccc(Br)c3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530920 GDAPGKILSITURB-JRZCIFNOSA-N 601.538 3.878 50 10 KHGE biogenic O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084590152 MASHKBNAYUDPLY-UHFFFAOYSA-N 527.306 3.943 50 10 KHGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686840 CFONHZULFIUAEU-AREMUKBSSA-N 533.604 3.571 50 10 KHGE COC(=O)c1c(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)sc(/C(C)=C/C#N)c1C 1873428486 PMXULOACYQLNSF-UXBLZVDNSA-N 502.346 3.767 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c1 2314620995 YCWSXKSTWWIDMT-UHFFFAOYSA-N 645.738 3.742 50 10 KHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510790 ZYJPVOKAIVZKEB-UHFFFAOYSA-N 504.612 3.996 50 10 KHGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)oc12 33515852 ZOQCMQCWASLNJG-YWFITGJYSA-N 502.552 3.504 50 10 KHGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Br)cc1)c1ccccc1 252642016 ZIEYIOCBZGEYMT-KRWDZBQOSA-N 523.387 3.794 50 10 KHGE O=C(CSCC(=O)Nc1ccccc1)NN=Cc1cc(Br)cc(Br)c1O 1083908859 DFSSHTUNTIYURT-UHFFFAOYSA-N 501.200 3.739 50 10 KHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720813 YVFWTQFVSGFPAJ-UHFFFAOYSA-N 533.581 3.982 50 10 KHGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1CCl 2140765629 UROIGKOLNVKEIP-UHFFFAOYSA-N 506.065 3.902 50 10 KHGE O=C(c1cc(Br)ccc1I)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146696080 VXONVFQMTCXLRX-TVYUQYBPSA-N 514.983 3.821 50 10 KHGE CCc1cc(B(O)O)ccc1NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 2283960594 ZKBGFQZDUCLPFH-XRHLQHRESA-N 500.404 3.821 50 10 KHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C)c(I)c1 100093916 WQXGCCQXOGNGIV-ZDUSSCGKSA-N 525.412 3.828 50 10 KHGE CC(C)C1=C/C(=N/S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@](C)(Br)[C@@H](Br)C1=O 111922572 CYMLLQJWPBLHBV-ACNNGQOTSA-N 508.188 3.807 50 10 KHGE C[C@@H](Br)[C@H]1CN(C(=O)c2ccc(Br)cc2I)CCO1 2142288429 KKUGAUREMHMZER-PRHODGIISA-N 502.972 3.678 50 10 KHGE CCn1nc(C)c(CBr)c1-n1cnc(I)c1I 2247619075 KTWBPUMUPYGGBG-UHFFFAOYSA-N 520.938 3.501 50 10 KHGE CCOC(=O)c1ccc(C=NNC(=O)C(=Cc2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)cc1 2293972465 YLRUXZBIXGFCIW-UHFFFAOYSA-N 501.539 3.802 50 10 KHGE Cn1nc(Br)c(Br)c1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2316852940 KUQQCJNOEVODQJ-UHFFFAOYSA-N 518.297 3.581 50 10 KHGE O=C(C=Cc1ccc(F)cc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 2330156258 XYFSZHWVQUTYSM-UHFFFAOYSA-N 517.466 3.680 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2377092460 SOLNNQQOYFJCFE-SAHWJRBASA-N 519.730 3.973 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2379882423 GOINLAMJGDHJOD-MQNRADLISA-N 508.330 3.537 50 10 KHGE COc1cc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1O 103753031 AMACQPGAZQEKGN-WMNNYHSGSA-N 505.394 3.525 50 10 KHGE CCOc1cc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254735153 REKUCHCZJWOHNF-UHFFFAOYSA-N 522.470 3.958 50 10 KHGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OS(=O)(=O)c1ccccc1 254766784 RVFNNWBHHIUMHX-UHFFFAOYSA-N 565.633 3.568 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccc1[N+](=O)[O-] 1084330844 SPEIQRPUHXWOFJ-UHFFFAOYSA-N 500.964 3.632 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc3cc[nH]c3c2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858960401 QBSZTUMQNFVTDW-UHFFFAOYSA-N 512.475 3.623 50 10 KHGE O=C(/C=C/c1cccc(F)c1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859006739 ADSXULIFMQQICJ-IZZDOVSWSA-N 531.493 3.722 50 10 KHGE CCOC(=O)Cc1cc(CBr)cc(I)c1I 2055238183 QLYZBORSRMOLGW-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE COC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313567312 ISXLVBOQYBGJAB-UHFFFAOYSA-N 518.795 3.910 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355685900 HRKKMEMZNAIMQE-GIPNMCIBSA-N 514.983 3.536 50 10 KHGE C[C@]1(CBr)CC(F)(F)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213305 GGPZOSVOSUTUCZ-LJQANCHMSA-N 507.397 3.667 50 10 KHGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCCO)(c5ccccc54)[C@@H]3C2=O)c(C)c1 59382327 MFZODGBSOGQXHA-BWXIJMDSSA-N 507.590 3.729 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOC)c(Br)c2)c(Br)c1 100201949 JJSYHSNMOQHBTF-UHFFFAOYSA-N 589.306 3.514 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCCC(C)C)cc1 100203443 DXVPYCBKZHJGNG-UHFFFAOYSA-N 538.464 3.849 50 10 KHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Br)cc1 1084430042 MPLINPAYIITVKG-UHFFFAOYSA-N 510.816 3.863 50 10 KHGE Cc1ccc2c(c1)C(=NNC(=O)CC(=O)NN=C1C(=O)N(CCC(C)C)c3ccc(C)cc31)C(=O)N2CCC(C)C 1772720472 MRQYPXXTBKRGJZ-UHFFFAOYSA-N 558.683 3.820 50 10 KHGE CC[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866625350 KQPMUDWNLXQGBG-HXUWFJFHSA-N 507.037 3.990 50 10 KHGE CC[C@]12CCCN1S(=O)(=O)C(=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O 1887554363 AMJNWVCJJFZOQJ-MUUNZHRXSA-O 506.584 3.907 50 10 KHGE CN1CC[C@@H]([C@@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2029056410 ZCUPUTQWFLWDGT-QWRGUYRKSA-N 509.001 3.524 50 10 KHGE COC[C@@](C)(CCBr)NC(=O)c1cc(I)ccc1Br 2101778667 YSONTIHVKSMLPR-CYBMUJFWSA-N 504.988 3.974 50 10 KHGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2123368031 ANLPZVAEAVWURV-SJORKVTESA-N 500.256 3.991 50 10 KHGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc(OC)c1OC 2297104907 LEYOIZVZSZXPBC-UHFFFAOYSA-N 520.561 3.839 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NN=C[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 2297642635 YEVINKRLYXDIIZ-UKNMDSFWSA-N 601.140 3.842 50 10 KHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1ccccc1 2314476002 HEJUKXCKDLCHBL-UHFFFAOYSA-N 560.657 3.899 50 10 KHGE N#C/C(=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)N1CCOCC1 2201001 GWMMFJQPBJRFHA-PLRJNAJWSA-N 505.578 3.667 50 10 KHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13621171 BYCJVQZDCGAOIW-BJMVGYQFSA-N 512.813 3.615 50 10 KHGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 14031839 XUMZBIHAFZJAOH-IBGZPJMESA-N 507.612 3.585 50 10 KHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)CC1 40812799 SMPMBSABQPGLDG-NLRVBDNBSA-N 516.392 3.846 50 10 KHGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 100132884 YOGBMYGJWCARNP-UHFFFAOYSA-N 570.893 3.850 50 10 KHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(CC)CC 253574486 SRDCWYBKIIOUGN-UXHLAJHPSA-N 583.726 3.840 50 10 KHGE COC[C@@](C)(CBr)N(C)C(=O)c1ccc(I)c(Br)c1 721508158 HQJLCARVIMXZBT-CYBMUJFWSA-N 504.988 3.926 50 10 KHGE NC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1084125151 PICYSGWWMPZYST-UHFFFAOYSA-N 568.961 3.569 50 10 KHGE Cc1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858993990 JHVNNJLWTGCUDO-UHFFFAOYSA-N 524.624 3.816 50 10 KHGE O=C(Cc1ccc(Cl)cc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859005082 ICKCXXWGFLBCGY-UHFFFAOYSA-N 517.947 3.627 50 10 KHGE C[C@@H](CCCCCI)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2054155991 VMKBIVKYIXOECK-INIZCTEOSA-N 520.433 3.756 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642593 UNUCCJSFGMVRKV-HWAWHHLPSA-N 602.084 3.677 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1 33959183 BJZMZVBDEQJULY-RDRPBHBLSA-N 518.526 3.873 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)ccc1Br 100078076 ONDXRKPFRJWVFY-UHFFFAOYSA-N 521.220 3.544 50 10 KHGE N#C/C(=C\c1cc(I)c(O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 103789315 YCQCSMYXUKIOCL-XNTDXEJSSA-N 585.183 3.857 50 10 KHGE Cc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(Br)c2OCC(=O)O)c(Br)c1 150422089 INHAABWUQKOSNV-GFXGDVFHSA-N 653.074 3.738 50 10 KHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](CBr)OC[C@H]2C)cc1Br 227404101 VNJJIZUMBIBWLD-NXEZZACHSA-N 506.054 3.693 50 10 KHGE COc1ccc(OC)c(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 254843741 MIMAAQKRFGCAJZ-UHFFFAOYSA-N 541.626 3.683 50 10 KHGE COc1ccccc1OCC(=O)NN=C1C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21 263626107 MLYGCESOCGOVDO-UHFFFAOYSA-N 515.408 3.537 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 1084080134 YBPABGMDEHPDDB-UHFFFAOYSA-N 639.659 3.911 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccccc1)c1ccccc1 1084182425 DGHAOYOYAVNSGG-UHFFFAOYSA-N 502.390 3.803 50 10 KHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Br 1084305973 XDIDOLXAAPYVFE-UHFFFAOYSA-N 561.414 3.853 50 10 KHGE CC1(C)OC[C@@H](NC(=O)c2ccc(I)c(Br)c2)[C@@H]1Br 1910939299 GBZRVUIXQDVLRM-MNOVXSKESA-N 502.972 3.724 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2COC[C@]2(CBr)C1 2234568108 QXAWAVTYVVOIOK-XPTSAGLGSA-N 514.983 3.537 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=CNC(=O)Nc1ccccc1I 2297534351 MWUCUMBOENSULU-UHFFFAOYSA-N 512.307 3.706 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1Br 100081887 WZCLCMFIMAWNPW-LLVKDONJSA-N 535.247 3.933 50 10 KHGE COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869862 UECKYXDFQLMKPW-LGJNPRDNSA-N 554.468 3.521 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2nccs2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)C 160905291 JFRXBUNFYMOCOU-LTUSVDMXSA-N 696.871 3.883 50 10 KHGE COc1cc(C=NNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1OC(=O)c1cc(F)c(F)cc1Cl 252600577 DSPNFKNTHUHRBC-UHFFFAOYSA-N 581.923 3.978 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)NN=Cc1cc(Br)cc(OC)c1O 252624758 PUNBLQATKINPPK-UHFFFAOYSA-N 531.436 3.795 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 1084370448 IUOLXVSZBGVQRQ-UHFFFAOYSA-N 553.637 3.931 50 10 KHGE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866800329 FWEZEJPCVAFHTB-HSZRJFAPSA-N 571.652 3.946 50 10 KHGE O[C@H](CBr)c1cc(I)cc(I)c1I 1951722585 PHKRCMGEHHUSNE-SSDOTTSWSA-N 578.751 3.929 50 10 KHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCCCCCC1 2164487099 JJTGYBKPMBAWKX-FQEVSTJZSA-N 503.434 3.808 50 10 KHGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)cc1 2296732310 UIVSKFIARABBNB-UHFFFAOYSA-N 525.634 3.664 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1Br 14041452 WGNUSAAFJVRHDB-UHFFFAOYSA-N 514.829 3.996 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)c(Br)c1 100087247 PXBOLPWOWXYEAI-UHFFFAOYSA-N 565.671 3.653 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCC(=O)OC)cc2Br)cc1 100238317 OFLMXQPGFAWYOZ-ANRZFROFSA-N 537.407 3.762 50 10 KHGE O=C(CCCCC(=O)N/N=C/c1cc(Br)ccc1O)N/N=C\c1cc(Br)ccc1O 100438308 FJPHPVKWFBATSY-QEUMEHMPSA-N 540.212 3.784 50 10 KHGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 205964223 OXKGYGBWGMHZEB-LFVJCYFKSA-N 561.551 3.589 50 10 KHGE CCOC(=O)c1sc(NN=C2C(=O)N(c3ccccc3)N=C2NC(=O)CCCCl)c(C(=O)OCC)c1C 254761175 RXSDCKTXUFDJEF-UHFFFAOYSA-N 548.021 3.673 50 10 KHGE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866804786 XFQIARDCOZUWAX-QHCPKHFHSA-N 553.662 3.807 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(-c3ccncc3)[nH]n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867162924 LAQGEVOXDQVQSQ-XMMPIXPASA-N 526.578 3.950 50 10 KHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040764 DQOVKGZOFIVPQM-UHFFFAOYSA-N 520.611 3.832 50 10 KHGE COc1ccc(C(=O)NNc2ncnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2N)cc1 40729946 IUFLGBFMQCBYBG-UHFFFAOYSA-N 509.614 3.736 50 10 KHGE COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccco2)cc1OC 100987526 IBKMOASRFYCOHR-LUOAPIJWSA-N 609.227 3.921 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC3)cc1 101608389 NHCAIAWAQYCDKJ-NLRVBDNBSA-N 522.474 3.640 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 206393837 DDMQBUFRZDTPHH-OCKHKDLRSA-N 502.439 3.954 50 10 KHGE CCOC(=O)COc1cc(Br)c(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 1084090588 XNNPQKCQRWFWCK-HXUWFJFHSA-N 537.407 3.762 50 10 KHGE C[C@H](Br)[C@H]1CN(C(=O)c2cc(I)ccc2Br)CCO1 2117533361 PCMNARDEWNBFOI-QPUJVOFHSA-N 502.972 3.678 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2283963693 MGVPWSJAKCCMTB-CUAXAMRHSA-N 520.460 3.901 50 10 KHGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 2295148786 YYFVSQRXNHJUNL-UHFFFAOYSA-N 535.944 3.964 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 2303766307 HCGUWVMITLGLQC-NRFANRHFSA-N 507.052 3.977 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)c(Br)c1 100113074 UHFMGJMLUYULSS-UHFFFAOYSA-N 564.502 3.929 50 10 KHGE COc1cc(/C=C\C(=O)NNC(=O)c2ccccc2NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 102930691 WWGGUNPPXAWWFR-KPGXXQICSA-N 591.617 3.865 50 10 KHGE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NC(=O)Nc2ccc(SC#N)cc2)C1=O 108862202 SDAWRCLDDVSLOH-OQLLNIDSSA-N 500.334 3.619 50 10 KHGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)c1 1084555769 ZRCMFUAVPMNGQK-UHFFFAOYSA-N 541.651 3.544 50 10 KHGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687574 VFDUVYQJYCZQTC-HHHXNRCGSA-N 547.631 3.961 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)cc1 1866881779 QZFDFVVQHZVKCS-QFIPXVFZSA-N 530.027 3.759 50 10 KHGE ICCCCCn1cnc(I)c1I 2209247723 FONIEVOWXSZGMR-UHFFFAOYSA-N 515.902 3.698 50 10 KHGE O=C(CNC(=O)c1ccccc1F)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2297295792 FOPNKFDTTCHUPF-UHFFFAOYSA-N 514.307 3.680 50 10 KHGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)c1 14041964 RWKRLXNQWWFPJM-UHFFFAOYSA-N 514.829 3.996 50 10 KHGE CCN(CC)c1ccc(/C=C2/CCC(/C=N/NC(=O)Cn3nnc(-c4ccccc4)n3)=C2N2CCOCC2)cc1 102940756 PPYLKIBLDJRSGP-IIXPYFMZSA-N 540.672 3.752 50 10 KHGE COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCc4cc(OC)c(OC)cc4[C@H]3C)c3ccccc32)cc1 107109672 PGRFDAFANNGCEW-JSNOGDLKSA-N 514.582 3.770 50 10 KHGE COc1ccc(C=NOCC(=O)NN=C2C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3ccccc32)cc1OC 254668926 IIIUHZYICRDADM-XMMPIXPASA-N 556.623 3.501 50 10 KHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccc(OCc2ccc(OC)cc2)o1 1083948581 ZEQMPODLVSRKGG-UHFFFAOYSA-N 558.624 3.680 50 10 KHGE OB(O)c1cc(Br)cnc1Nc1cc(Br)c(Br)c(Br)c1 2240334583 ZGPIEWBMLPJQKO-UHFFFAOYSA-N 529.617 3.555 50 10 KHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccccc3)c(N3CCN(c4ccccc4)CC3)nc12 2296731386 SWNGHXZXCMIGNW-UHFFFAOYSA-N 504.594 3.553 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355689625 HRKKMEMZNAIMQE-GIPNMCIBSA-N 514.983 3.536 50 10 KHGE CCO/C(SS/C(OCC)=C(\C#N)C(=O)NCc1ccco1)=C(/C#N)C(=O)NCc1ccco1 34713878 HJHMFVQDCVLQHX-KSTNYAOJSA-N 502.574 3.730 50 10 KHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1 100080768 GCTNSPOFPRFYSC-UHFFFAOYSA-N 572.279 3.665 50 10 KHGE CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)Cl)c1I 162375699 OJVJLOWIAWXCAH-UHFFFAOYSA-N 632.361 3.796 50 10 KHGE CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O[C@H](C)C(=O)NNC(=O)c1cc2ccccc2cc1O 504646145 CMHHRFSWQRSAFV-LFNMZDQVSA-N 655.704 3.641 50 10 KHGE biogenic O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccccc1F 725432900 SUJNGLFXJGKYGM-UHFFFAOYSA-N 518.408 3.972 50 10 KHGE CCOc1cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084125202 KVTCSZIXOHBFES-UHFFFAOYSA-N 535.469 3.843 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccncc1 1084487292 NKCNFWBXJXMLRA-OAHLLOKOSA-N 547.426 3.707 50 10 KHGE CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 199853594 ACUCNTBNWRWVMU-XMZZPRPSSA-N 831.096 3.514 50 10 KHGE in-vitro COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc(Br)c1O 254010717 QQPZTSSLQBOCHT-UHFFFAOYSA-N 510.391 3.790 50 10 KHGE CCOC(=O)c1c(NC(=O)CI)sc(C(=O)OCCOc2ccccc2)c1C 1865947472 FNWRECLLXMUAQN-UHFFFAOYSA-N 517.341 3.843 50 10 KHGE COc1ccc(-n2nncc2C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866924401 LRRGVRLGHSFXPL-QHCPKHFHSA-N 516.558 3.968 50 10 KHGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1ccc(I)c(Br)c1 2111282631 CIJGXAQLFJTQAD-KOLCDFICSA-N 502.972 3.584 50 10 KHGE O=C(NCC[C@H]1COC[C@@H]1Br)c1ccc(I)c(Br)c1 2111282633 CIJGXAQLFJTQAD-ONGXEEELSA-N 502.972 3.584 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)c1 2296547641 RYQWHLILJVTUGR-UHFFFAOYSA-N 557.680 3.880 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)cc(Br)c1O 2297616617 NMDNPSVPDXEKDQ-UHFFFAOYSA-N 536.404 3.957 50 10 KHGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 2314475722 BBZRGCDQSJNBAE-NHCUHLMSSA-N 531.638 3.546 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1Br 14041440 PPQDXAUFIDUUCZ-UHFFFAOYSA-N 514.829 3.996 50 10 KHGE CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)CCl)CC1 34909680 LCUAOKBVVVEFDQ-UHFFFAOYSA-N 514.132 3.641 50 10 KHGE CC(C)(C)OC(=O)[C@]1(N(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)CSC[C@H]1O 71261305 PISNKGOLEFDKDQ-NLFFAJNJSA-N 502.589 3.655 50 10 KHGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)cc1 725408702 XTQUDHZDMPDDDA-UHFFFAOYSA-N 525.359 3.564 50 10 KHGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(O)c(I)c1 1084425043 YDAQYTCMTYEGGZ-OAHLLOKOSA-N 503.134 3.723 50 10 KHGE C[Si](C)(C)C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c1 1887511169 GQYXXCPAUJHGOB-UHFFFAOYSA-N 538.529 3.662 50 10 KHGE C[C@H](Br)CN1CCN(C(=O)c2ccc(Br)cc2I)CC1 2207271880 KYEILYAHVBVKOQ-JTQLQIEISA-N 516.015 3.595 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 2349644076 GPLALDNTGVDNIZ-WJONJSRFSA-N 505.703 3.725 50 10 KHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 38658496 LWMCDEMSHBOXNC-VWLOTQADSA-N 503.467 3.815 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 101608362 FZSSSTGLJFMUBE-KOEQRZSOSA-N 537.445 3.540 50 10 KHGE COc1cc(C=NNC(=O)C(=O)NN=Cc2ccc(C(=O)c3ccccc3)c(OC)c2)ccc1C(=O)c1ccccc1 254398311 LKSBFDFWHMCIHC-UHFFFAOYSA-N 562.582 3.766 50 10 KHGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1916366293 HWCNIKOJIWTIIY-IBGZPJMESA-N 537.476 3.551 50 10 KHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2142285232 NLCDMHQWAKWRPZ-SCZZXKLOSA-N 502.972 3.678 50 10 KHGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325071433 PXXSPNVZCPAZOA-SFHVURJKSA-N 533.050 3.765 50 10 KHGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccccc1I 13977951 WYMFMZKCMJZIMR-UHFFFAOYSA-N 509.525 3.547 50 10 KHGE COc1cc(/C=N\NC(=O)CNc2ccccc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33155061 ZOHCWSNBOLQEIY-FDVSRXAVSA-N 507.543 3.811 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1Br 100164054 DNNLIVLXDIHWGQ-UHFFFAOYSA-N 552.447 3.519 50 10 KHGE COc1ccccc1C(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 100531256 FCLQUXOJSYKQGL-UMTMIXLZSA-N 526.343 3.550 50 10 KHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccccc2OCc2ccc(C(=O)OC)cc2)cc1 254484100 XBVNQKKHMRYHNK-UHFFFAOYSA-N 503.555 3.721 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OC)c(OC)c2)cc1 1084203735 BRFZJSZYKSODLR-SFHVURJKSA-N 512.344 3.671 50 10 KHGE COc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1084358894 YMMAHYGPHVECNM-UHFFFAOYSA-N 547.387 3.712 50 10 KHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC12CCC(Br)CC2 2202244672 BALCGSBAFFEXTM-VZDHWGDASA-N 501.418 3.513 50 10 KHGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(CCCl)cc1 2205688223 HOBRJSIRQAUMBM-UHFFFAOYSA-N 520.092 3.944 50 10 KHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCCC)cc2)cc1 14029813 POTAGBXUNSUIQL-UHFFFAOYSA-N 501.605 3.537 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645996 NEUFZHBQOKBWDE-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814565 MEMMMCZTMXRFIT-NHFJDJAPSA-N 505.483 3.901 50 10 KHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)ccc2OC)c(OC)c1 40948842 RCCZCHHATSDZIN-ASQNEQQHSA-N 515.360 3.755 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)COc1ccccc1)[C@@H]2Br 100922436 LQHFJHGMHQADQG-BVGQSLNGSA-N 553.089 3.899 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 101336603 SBCQHCBPKDSUEB-MTDXEUNCSA-N 609.664 3.946 50 10 KHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1cc(I)ccc1Br 235312965 KRFCNOZBFMNVEV-SCZZXKLOSA-N 502.972 3.678 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccc(F)cc3)cc2)cc1 1858992861 CVGSSOAYICOMFK-UHFFFAOYSA-N 512.588 3.811 50 10 KHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865711912 LFIGYJTUVUMFBH-GOSISDBHSA-N 515.404 3.797 50 10 KHGE COCCn1cc(/C=N/NC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)c2cc(OC)ccc21 1873497493 UOIQOKGNPOKMED-STBIYBPSSA-N 506.603 3.888 50 10 KHGE O=S(=O)(CBr)Nc1cc(Br)c(I)c(Br)c1 1931647842 QTVSDVYUQFHKMM-UHFFFAOYSA-N 533.805 3.910 50 10 KHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CCN1C(=O)OC(C)(C)C 2106780486 YWUPLCLHLQCJCL-UHFFFAOYSA-N 504.049 3.861 50 10 KHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2cc(I)ccc2Br)C1 2109026165 ZUCGAGBKMBRPPZ-PSASIEDQSA-N 502.972 3.678 50 10 KHGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14660383 JHZNSNNJACFCNF-UHFFFAOYSA-N 507.410 3.534 50 10 KHGE Cc1ccccc1OCC(=O)NNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)COc3ccccc3C)cc2)cc1 104900129 JGRPPJLORINLSB-UHFFFAOYSA-N 582.613 3.776 50 10 KHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)cc1 254568200 YXCMNLOQABOPNY-MSJACKQSSA-N 515.566 3.983 50 10 KHGE COc1ccc(C=NNC(=O)c2nonc2NCCCl)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 1082754828 KQPUJBUXIFAIET-MRXNPFEDSA-N 543.024 3.629 50 10 KHGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 2285028076 XIEKPRFSDXWWPT-RUZDIDTESA-N 520.460 3.648 50 10 KHGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 2314475723 BBZRGCDQSJNBAE-OYRHEFFESA-N 531.638 3.546 50 10 KHGE COc1ccc(/C=N/OCC(=O)N/N=C2/C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1OC 102647566 UDFWSTVMGZHTJH-WMZJIBFMSA-N 547.656 3.780 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 254765244 JUXLKKPHHOBCSB-UHFFFAOYSA-N 698.601 3.949 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751383 ALFPTQYZOLVYJP-UHFFFAOYSA-N 525.359 3.601 50 10 KHGE O=C(/C=C/c1ccc(F)cc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858958929 XYFSZHWVQUTYSM-LFYBBSHMSA-N 517.466 3.680 50 10 KHGE CCC[C@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867229307 SIUHQFXPSCCLJI-NRFANRHFSA-N 506.625 3.722 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2COC[C@]2(CBr)C1 2234584110 XITLTJSLCFJVNT-OTYXRUKQSA-N 514.983 3.537 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 2314646626 GHDOGMUHSPKXHT-SFHVURJKSA-N 559.556 3.780 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12503441 VDUXKOZXNXXQEL-UHFFFAOYSA-N 503.024 3.882 50 10 KHGE COc1ccc(CC(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 13976517 CXNWPTWJFSSBOI-UHFFFAOYSA-N 508.438 3.533 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)c(Br)c1 100080781 PXMGUCYKUHBMAF-UHFFFAOYSA-N 610.122 3.762 50 10 KHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](CBr)OC[C@@H]2C)cc1Br 155827257 VNJJIZUMBIBWLD-VHSXEESVSA-N 506.054 3.693 50 10 KHGE C#CCN1C(=O)C(=NNC(=O)COc2c(C)cc(Br)cc2C)c2cc(Br)ccc21 254397488 CAKWTKHOYGHSOS-UHFFFAOYSA-N 519.193 3.708 50 10 KHGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccccc3F)[C@@H]2C)c(OC)c2c1OCO2 254512573 ADUZNBAZZCQJMS-QFYYESIMSA-N 508.300 3.548 50 10 KHGE CC(=O)N[C@H]1[C@H](O[C@@H](C)C(=O)NNC(=O)c2cc3ccccc3cc2O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1OCc1ccccc1 504646146 CMHHRFSWQRSAFV-VQNLQVSMSA-N 655.704 3.641 50 10 KHGE biogenic CCOC(=O)COc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OCC 1083930971 MPJHNIXUWAIKAR-IBGZPJMESA-N 554.381 3.596 50 10 KHGE O=C(COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 1084347058 VGCFKSVVUHJRAI-UHFFFAOYSA-N 570.671 3.723 50 10 KHGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCC#N 1084490217 FUSQFKDZMFFOQT-GOSISDBHSA-N 507.328 3.556 50 10 KHGE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866800330 FWEZEJPCVAFHTB-QHCPKHFHSA-N 571.652 3.946 50 10 KHGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1cc(Br)ccc1I 2279409707 PKMZYIYDJFUCFN-MWLCHTKSSA-N 516.999 3.974 50 10 KHGE O=C(Cc1ccccc1)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 14666182 BDSBQVPXJNYSDV-UHFFFAOYSA-N 512.429 3.949 50 10 KHGE COc1ccc(/C(C)=N/NC(=O)CCC(=O)Nc2ccc(I)cc2C)c(OC)c1 27498080 OMJONVHVCINABO-ZVHZXABRSA-N 509.344 3.876 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100047950 YJQXJCFGYXKRRO-RYUDHWBXSA-N 580.252 3.610 50 10 KHGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 205778328 RCAYTISJCRIUOD-SVQVGOSPSA-N 667.769 3.706 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)Cc2ccccc2)cc1 1084440829 CDXXCRDBZYJOCV-UHFFFAOYSA-N 544.427 3.827 50 10 KHGE CCOC(=O)COc1cc(Br)c(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OCC 1084588528 VJYOSNHPRAUUGY-IBGZPJMESA-N 507.381 3.754 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cnn(CC)c1 1084601430 YAEZNMVSJBRCKH-HNNXBMFYSA-N 564.457 3.528 50 10 KHGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687190 LQWVWYFEQGGJFB-AREMUKBSSA-N 515.614 3.763 50 10 KHGE C[C@]1(CBr)COCCN1C(=O)c1cc(Br)ccc1I 2112712345 CKQMLHQTSRQGHR-ZDUSSCGKSA-N 502.972 3.680 50 10 KHGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3ccc(Br)cc32)cc1 2293972326 CXCZCVYUGFEGCY-UHFFFAOYSA-N 546.425 3.783 50 10 KHGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 2314760640 SQRJDHWDVCZYGV-UHFFFAOYSA-N 505.483 3.827 50 10 KHGE COc1cc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc(OC)c1OC 33570133 UNLMIMWNEGNUIJ-ASTBYMRTSA-N 520.561 3.839 50 10 KHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)COc1ccccc1Cl 100083025 YYFNIAMJBUMJCX-UHFFFAOYSA-N 522.808 3.735 50 10 KHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 100318711 HBWHPDMCYRTYQQ-KRWDZBQOSA-N 565.490 3.685 50 10 KHGE C=C(C)Cn1c(SCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)nnc1-c1ccc([N+](=O)[O-])cc1 100558991 HMXVUVNZPIHAGT-BRJLIKDPSA-N 526.575 3.698 50 10 KHGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)c1 101013654 XSHUYQVFGDMDEO-MOHJPFBDSA-N 573.675 3.712 50 10 KHGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 101333746 VKWHLRSHCRKRKR-YZSQISJMSA-N 571.659 3.561 50 10 KHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748346 WJNRSBRLRAFSAT-UHFFFAOYSA-N 544.793 3.944 50 10 KHGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OC 2313545756 CPVASZXHDOLEDV-UHFFFAOYSA-N 503.340 3.564 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 2314620766 URFBCNLYWCTGNP-UHFFFAOYSA-N 570.602 3.728 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)c(Br)c1 13976444 OXNGSSMMOMLBPD-UHFFFAOYSA-N 508.438 3.535 50 10 KHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC)cc1 14655787 RZDFFFNYWSXVLL-UHFFFAOYSA-N 521.437 3.926 50 10 KHGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814649 AZIISZWITVESOP-TURZUDJPSA-N 504.499 3.919 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1c(C)cc(Br)cc1C 101830038 CBCOODDNMZUAGU-XDHOZWIPSA-N 529.387 3.825 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920629 UNUCCJSFGMVRKV-PPMFSKNKSA-N 602.084 3.677 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)NN=Cc4ccc(C(=O)OC)cc4)cc3)cc2)cc1 1084442605 JZUURZVQAVUUMB-UHFFFAOYSA-N 626.647 3.620 50 10 KHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747948 MHHJSQCMHHLMJT-UHFFFAOYSA-N 539.932 3.703 50 10 KHGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 1873792297 ATJGJLOPEOFAKM-LGJNPRDNSA-N 507.344 3.594 50 10 KHGE O=[N+]([O-])c1cc(-n2cnc(I)c2I)ccc1CBr 2068316033 FAZAQIBRSINEOP-UHFFFAOYSA-N 533.889 3.885 50 10 KHGE COc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc(OC)c1OC 2313682363 AZFOSKNEQDRWCT-UHFFFAOYSA-N 504.518 3.811 50 10 KHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 10276400 DTBBWONZFFRCFX-UHFFFAOYSA-N 520.611 3.612 50 10 KHGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1OC 38658762 HQIOODQDGNVZEH-XMMPIXPASA-N 503.467 3.815 50 10 KHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1 100087340 SRYZVNPVQBMEMP-UHFFFAOYSA-N 541.855 3.802 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)nc3ccccc3c2=O)cc1 254341337 KYOXAMDPHWLOGZ-UHFFFAOYSA-N 534.594 3.663 50 10 KHGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1cc(Br)ccc1I 2101337942 SIMPNGAUZHYYTO-WPRPVWTQSA-N 502.972 3.584 50 10 KHGE C[C@]1(CBr)COCCN(C(=O)c2cc(Br)ccc2I)C1 2199824945 JUBSTDPEWFPTTH-CQSZACIVSA-N 516.999 3.927 50 10 KHGE O=C(/C=C\c1cccc2ccccc12)NC(=S)NNC(=O)c1ccccc1I 33408731 UZMYYYPJWGQGRR-SEYXRHQNSA-N 501.349 3.793 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615032 KIRKMFXWNJLEBN-XKJRVUDJSA-N 522.377 3.652 50 10 KHGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@@H]4CCCO4)c(=O)oc3c2)cc1OC 206543820 JLAHZSLXXGHBTE-RZXXJPOTSA-N 518.522 3.622 50 10 KHGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccc(O)c(O)c1 254291001 SZUTZHPVMVHEPU-UHFFFAOYSA-N 506.609 3.980 50 10 KHGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(I)c1OCC(=O)OC 1084491039 ZNYKLDIWGPYVDD-UHFFFAOYSA-N 561.170 3.768 50 10 KHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(Br)cc1 1084601422 VASYUNPTKVSWME-UHFFFAOYSA-N 555.267 3.972 50 10 KHGE COc1ccc(-n2nncc2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866923453 DVOZQTZKKPQQHE-HSZRJFAPSA-N 514.567 3.534 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2207259163 KEXYNAOEYUMFNP-QWRKXWFKSA-N 514.983 3.536 50 10 KHGE O=C(CN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1Br 2297334865 RZZIWIKTQQAARF-UHFFFAOYSA-N 510.822 3.765 50 10 KHGE Cc1nc(I)c(I)n1-c1c(CCl)c(C(F)(F)F)nn1C 2365272533 UXRMRIYWIJRNQC-UHFFFAOYSA-N 530.457 3.881 50 10 KHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)c1 100083555 RUXZVKAQYUQLHY-UHFFFAOYSA-N 525.412 3.746 50 10 KHGE C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 215667467 UZEOVNLCUPRZCB-MOJSZMLHSA-N 586.682 3.591 50 10 KHGE biogenic CC1(C)OC[C@H](NC(=O)c2cc(Br)ccc2I)[C@H]1Br 1911025234 GHRBXSMKWAPFJZ-WDEREUQCSA-N 502.972 3.724 50 10 KHGE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349654045 GSYVEXZHLHAVJQ-WJONJSRFSA-N 507.719 3.971 50 10 KHGE CCOc1cc([N+](=O)[O-])cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 254806463 TVWLONIYUHXNJH-JBQZKXGESA-N 517.542 3.686 50 10 KHGE COC(=O)c1ccc(C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)cc1P(c1ccccc1)c1ccccc1 504367705 ABJATKZPSPFIQY-BEZHQWBSSA-N 792.936 3.633 50 10 KHGE Brc1cc(CO[C@H]2COC[C@@H]2I)ccc1I 1904373706 JXSYRSYFUQCCPT-QWRGUYRKSA-N 508.919 3.773 50 10 KHGE CC1(C)OC[C@@H](NC(=O)c2cc(I)ccc2Br)[C@H]1Br 1911024547 DJIMGKPLYFPTLD-GHMZBOCLSA-N 502.972 3.724 50 10 KHGE O=S(=O)(c1cc(CBr)sc1Br)N1CC2(CN(Cc3ccccc3)C2)C1 2059265306 SSVWLGIVSQZBQK-UHFFFAOYSA-N 506.285 3.912 50 10 KHGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(C)c(I)c2)c(Br)c1 13977698 XDOHDQCYBRONTI-UHFFFAOYSA-N 517.161 3.765 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1ccc(O)cc1 100082625 GIAFCSICKLBARF-UHFFFAOYSA-N 553.232 3.785 50 10 KHGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 214299364 PVPRGBDVOQDJBY-ITYLOYPMSA-N 573.675 3.808 50 10 KHGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1 1772754912 RIBFKMNPFIXLTR-UHFFFAOYSA-N 531.059 3.944 50 10 KHGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)N1CCOCC1 1772755073 KPGWDONTHWWALZ-UHFFFAOYSA-N 561.085 3.952 50 10 KHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2ccc(Br)cc2I)C1 2142283318 OJJMPXVZQKIVDP-SWZMTVOYSA-N 502.972 3.726 50 10 KHGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2268681139 OXJOMLLFUKQTJW-CRICUBBOSA-N 506.433 3.511 50 10 KHGE CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8383296 CHIFWUDRGZZKCS-UHFFFAOYSA-N 523.414 3.793 50 10 KHGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 10296015 MIMCMANWMSCENI-LBPRGKRZSA-N 514.829 3.994 50 10 KHGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1ccccc1I 100098650 FKHQBMUKABEKNJ-UHFFFAOYSA-N 531.375 3.673 50 10 KHGE Cc1c(C=NNC(=O)/C(=C/C=C\c2ccccc2)NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1082988415 CYLPHFBVLKOAMP-LFRNEBIFSA-N 505.578 3.962 50 10 KHGE O=C(CCCN1C(=O)c2ccccc2C1=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860822611 IKMFZJLBKRQZAB-KRUMMXJUSA-N 500.942 3.784 50 10 KHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2ccc(CCCl)cc2)C1 2205540301 GIVKPJFVOZVPIY-JOCHJYFZSA-N 508.084 3.868 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239886040 MQUAKJDATGXYJT-HZMBPMFUSA-N 514.983 3.680 50 10 KHGE COc1ccc(N2N=C(c3ccccc3)C(=C(C)NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 2313683104 RTPQLRNJASUUHQ-UHFFFAOYSA-N 516.554 3.681 50 10 KHGE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349649490 IBWKBXJMJKVFPD-ZHRRBRCNSA-N 507.719 3.973 50 10 KHGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 100243398 HLDXLXSZPINHIS-UHFFFAOYSA-N 528.428 3.785 50 10 KHGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)c2)cc1 254349454 PULGYHNIEMIYHX-UHFFFAOYSA-N 501.524 3.522 50 10 KHGE CC(=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1cccc(I)c1 1084366027 OCBIQXHMAZOGQU-UHFFFAOYSA-N 547.418 3.849 50 10 KHGE C#CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 1084602799 FBPFJHUHYGMGPN-LJQANCHMSA-N 506.340 3.666 50 10 KHGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687575 VFDUVYQJYCZQTC-MHZLTWQESA-N 547.631 3.961 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cscc1B(O)O 2268644339 PACGLCSEUBVIGX-QLODZENZSA-N 506.433 3.559 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 2314646625 GHDOGMUHSPKXHT-GOSISDBHSA-N 559.556 3.780 50 10 KHGE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349640532 FHYPBTRZJMYDPZ-OPAMFIHVSA-N 507.719 3.973 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)cc1 1084407528 FCVNLHYRBJEDEE-UHFFFAOYSA-N 506.378 3.705 50 10 KHGE CC[C@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866632201 NFJPVJXBUSOGTA-FQEVSTJZSA-N 507.037 3.990 50 10 KHGE Cc1nc(I)c(I)n1-c1nc2sccn2c1CBr 2028591318 RXFGSYPHGVLKMD-UHFFFAOYSA-N 548.973 3.994 50 10 KHGE CC(C)COc1cccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2cccc(OCC(C)C)c2)C=3C#N)c1 35088467 ASXAEGRPNGQYGQ-DAPSBZEUSA-N 526.662 3.931 50 10 KHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 100234970 KFKSMSKAQXYGFW-UHFFFAOYSA-N 589.306 3.650 50 10 KHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(I)c(Br)c2)C[C@@H]1Br 2130804132 GSPWWDGYNILGAX-PTOFAABTSA-N 502.972 3.724 50 10 KHGE Cc1ccc(C)c(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 14008583 QGVXKXFNNVQJSG-CYBMUJFWSA-N 500.187 3.822 50 10 KHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)c(Br)c1 100088218 FUPCURHDHKEODK-UHFFFAOYSA-N 565.671 3.653 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1ccccc1 104768610 ZNJMRRJMGYSQNN-FOKLQQMPSA-N 554.268 3.912 50 10 KHGE O=C1[C@H](Br)C[C@@H]2Nc3cc(Br)c(O)c(Br)c3O[C@@H]2[C@H]1Br 1307331918 GUZLXPLSTAEBLP-UDQIEJTCSA-N 534.824 3.959 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355687829 RTNXDZZAATWQLT-XTWCZFFVSA-N 514.983 3.536 50 10 KHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599675 COGXLFJWLFQHMZ-ZXVVBBHZSA-N 523.387 3.825 50 10 KHGE CC1=C(Br)C(=O)[C@@](C)(Br)[C@@H](Br)/C1=N/S(=O)(=O)c1ccccc1 102478622 OPWIFPBMJSZQCX-GXQGCUQHSA-N 514.033 3.985 50 10 KHGE CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1Br 103748593 NNTFFRCNFLWDPO-VULFUBBASA-N 529.460 3.683 50 10 KHGE NNC(=O)c1sccc1COc1c(I)cc(I)cc1I 154939272 CHJPJRWVIBCZFO-UHFFFAOYSA-N 625.995 3.744 50 10 KHGE N#CC1=C(N)n2c(sc(=Cc3cccc(C(F)(F)F)c3)c2=O)=C(C#N)[C@H]1c1cccc(C(F)(F)F)c1 252669559 HWZADVJTBNSZIR-IBGZPJMESA-N 518.442 3.899 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3OC)nc3ccccc3c2=O)cc1 254871860 DGUQLJJTXFCPOO-UHFFFAOYSA-N 504.568 3.654 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nnc1-c1ccccc1O 1084596276 NBZDVQJCSODHJG-UHFFFAOYSA-N 570.267 3.618 50 10 KHGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687037 HWRZJTSGFWBVSO-MHZLTWQESA-N 529.641 3.822 50 10 KHGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179789972 YCVVGTMHTNMAAN-HOTGVXAUSA-N 536.311 3.679 50 10 KHGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1ccc(Br)cc1I 2207264870 KPHGGPMCAJYIOX-MWLCHTKSSA-N 516.999 3.974 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)c(Br)c1 13979133 TWKXKMHHFNHSJR-UHFFFAOYSA-N 516.417 3.644 50 10 KHGE COc1c(I)cc(I)cc1/C=N\NC(=O)c1cncc(Br)c1 100527183 MPWNRGSFBPGALL-SWNXQHNESA-N 585.965 3.826 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101067219 TUGMDYUCDQIQBC-NLRVBDNBSA-N 554.357 3.804 50 10 KHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 254505019 NIWQUOHOIIJUPH-UHFFFAOYSA-N 503.555 3.973 50 10 KHGE CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@H]1C[C@@H]1[C@H]3CC(C=O)=C4C=C(OCCCl)CC[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]12C 263606144 QNXUUBBKHBYRFW-DVRLIHDZSA-N 569.066 3.963 50 10 KHGE Cn1ncc([C@@H](Br)c2cc3c(cc2Br)NC(=O)C3)c1I 381963859 ZROAXMPKYPDZTC-LBPRGKRZSA-N 510.955 3.766 50 10 KHGE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1)NNC(=O)c1ccc(F)cc1 1084655458 POVIJOBKMUCCMR-UHFFFAOYSA-N 519.562 3.522 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749277 KAKDLGFYSQYEAT-UHFFFAOYSA-N 539.386 3.661 50 10 KHGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OCC 2314793473 TVCINQFDPZMLOJ-UHFFFAOYSA-N 506.555 3.877 50 10 KHGE O=C(OC[C@@H]1O[C@H](Br)C(=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 100018370 UQVPLYNOGBTXPR-IGABQKFOSA-N 553.361 3.984 50 10 KHGE O=C(CN1C(=O)/C(=N/NC(=O)c2cc(NC(=O)c3ccccc3)ccc2O)c2ccccc21)Nc1ccccc1 106888964 CEKVSHKPHMUFBA-MUGXBBEHSA-N 533.544 3.764 50 10 KHGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccccc1Cl 1084324456 QWIQBQDXODMTQS-UHFFFAOYSA-N 503.939 3.596 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2283962842 GXKAKJXJPUVBNH-DFXHWTJYSA-N 520.460 3.901 50 10 KHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 9821919 XKASRSNGDWLICC-UHFFFAOYSA-N 514.431 3.903 50 10 KHGE CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(=O)CBr)cc1)CN1C(=O)c2ccccc2C1=O 91353065 WIDHOLNQGNPVKS-QGZVFWFLSA-N 501.377 3.996 50 10 KHGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 101231045 PTONGMUTCIOWSB-LFVJCYFKSA-N 527.606 3.568 50 10 KHGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 101333836 SKZUGSVFJIPJAR-YZSQISJMSA-N 571.659 3.561 50 10 KHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615071 KSSJTEBVDGRIJX-PNQUVVCRSA-N 552.403 3.661 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(Br)cc3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920609 BBIBEWFLADSSMB-HDSDGMRHSA-N 601.538 3.878 50 10 KHGE biogenic CCOC(=O)COc1ccc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 725402354 VVKAUCKOJAWGJJ-FQEVSTJZSA-N 507.381 3.754 50 10 KHGE O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084222074 YJVGLOHNFJQOKN-UHFFFAOYSA-N 505.512 3.595 50 10 KHGE O=C(COc1ccc(Br)cc1)NN=Cc1cc(Br)c(I)o1 1084475039 RXLFKVHOQMWVNN-UHFFFAOYSA-N 527.938 3.938 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CC[C@@]2(C[C@H](Br)CO2)C1 2207266955 IPURMMRCVVHLNF-IINYFYTJSA-N 514.983 3.822 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CCO[C@@]2(CBr)C1 2239905741 ZRMOOTVKLAXFPJ-OTYXRUKQSA-N 514.983 3.680 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c(Br)c1 2313860543 AZOYZDTYNIGPBB-UHFFFAOYSA-N 535.420 3.769 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(C)=C(C#N)C1=O 2314620334 NEYKEYHHMYEYQU-UHFFFAOYSA-N 528.540 3.850 50 10 KHGE Cc1cccc(Cl)c1OCc1ccc(/C=N/Nc2nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)o1 59880268 ROKZHIKFSSVQND-QVOODPNWSA-N 520.015 3.669 50 10 KHGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 206744311 UHXMUKGPGYUYTH-HKWRFOASSA-N 527.533 3.883 50 10 KHGE CCc1ccc([C@H](C)NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217195930 JKDJYTCGWGHZPO-IMGOXIFKSA-N 503.024 3.620 50 10 KHGE O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254578400 CKSDEANADCTPGC-UHFFFAOYSA-N 514.563 3.646 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 254820373 ZGMRELLYPYCXLE-UHFFFAOYSA-N 684.574 3.559 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084204561 FSCJOKDSWHQFTK-UHFFFAOYSA-N 566.514 3.976 50 10 KHGE COc1cc(C=NNC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc(OC)c1OC 2296653203 RTPXPPFPCXHXBA-UHFFFAOYSA-N 504.499 3.542 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1F 2381160355 AEBSCWIUZFBNFD-QMTYFTJSSA-N 504.367 3.706 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 59475514 MHMASEVCDFLFBH-JEWIKEISSA-N 510.620 3.733 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 100080176 IYOZFYZGYWTDBU-UHFFFAOYSA-N 548.246 3.819 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 100229657 QEVYGRZIFHXEID-UHFFFAOYSA-N 534.190 3.928 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869780 ZPMJNXYDFFJOAL-KCSSXMTESA-N 608.604 3.899 50 10 KHGE CCCCN1C(=O)/C(=N/NC(=O)CCCC(=O)N/N=C2/C(=O)N(CCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 100870190 DQOYZTWFTJIHCZ-FFUAXAOHSA-N 590.681 3.508 50 10 KHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 102855687 RPLCUHORCSFTBG-PGNDWZGLSA-N 511.401 3.512 50 10 KHGE O=C(CSCC(=O)NN=Cc1ccc(Br)cc1)NN=Cc1ccc(Br)cc1 252599912 DMOXJEIABCEDGB-UHFFFAOYSA-N 512.227 3.545 50 10 KHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 254305090 KZLHPWQZEDZUAE-UHFFFAOYSA-N 519.554 3.592 50 10 KHGE COc1cccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)c1 1084600408 MMAXRGSTECPBIQ-UHFFFAOYSA-N 532.416 3.812 50 10 KHGE C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CCCC3 1860771827 JADWNMSXTRICLB-NWDGAFQWSA-N 509.415 3.820 50 10 KHGE COc1ccc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(C)(=O)=O 1866893285 RTHRWVNETWBJFW-HSZRJFAPSA-N 567.645 3.577 50 10 KHGE COc1ccc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867223166 HVVGZBPIEOXNRC-NRFANRHFSA-N 513.689 3.510 50 10 KHGE Cc1csc(CN(C)C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2285030796 LSNBBIDAXGWQNF-DEOSSOPVSA-N 520.460 3.648 50 10 KHGE CC[C@H](Oc1ccccc1)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14024497 ORPWOFMRQHXLFQ-INIZCTEOSA-N 500.187 3.904 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC)c(Br)c2)cc1 100184832 ZLQOHPRYHKRIFP-UHFFFAOYSA-N 552.447 3.519 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Br 102857813 ATSAUMXDCJFPLH-XGHXRCDJSA-N 541.427 3.521 50 10 KHGE COC(=O)[C@H](Br)COc1c(I)cc(I)cc1I 160400603 RRJUQTAGSVCOPV-ZCFIWIBFSA-N 636.787 3.816 50 10 KHGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207184997 KMURQIWLUZMGBO-FTCSETEGSA-N 506.555 3.877 50 10 KHGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N1CCC(Cc2ccccc2)CC1 216878549 BEEYTLYDSDXYKS-QOCHGBHMSA-N 529.062 3.662 50 10 KHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC)cc2OC)c2ccc(C)cc2)cc1 252616964 KJQXMDZVDHNHOA-UHFFFAOYSA-N 511.600 3.757 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]2Br 256019851 IIDMOIJEEUUPQH-KKXDTOCCSA-N 582.087 3.971 50 10 KHGE CCCCOCCOCCOCCO[C@@](C)(CI)CNC(=O)OC(C)(C)C 379752981 OXRHXAKXUHPDDU-IBGZPJMESA-N 503.418 3.571 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(Cl)cc2)cc1OC 725389702 MSWDBFAZHQXBSZ-UHFFFAOYSA-N 516.019 3.741 50 10 KHGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccc(Br)cc1 1084154060 FOIGWRBRQNYQTK-UHFFFAOYSA-N 522.816 3.610 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccncc1 1084487290 NKCNFWBXJXMLRA-HNNXBMFYSA-N 547.426 3.707 50 10 KHGE C[C@H](Br)[C@@H]1CN(C(=O)c2ccc(I)c(Br)c2)CCO1 2117513347 DUBUJULMSPQMRV-UFBFGSQYSA-N 502.972 3.678 50 10 KHGE COc1cc(/C=N\NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]3OC4(CCCCC4)O[C@H]23)cc(I)c1O 33355913 PGKNQBWYPMQJNS-CXGUISQWSA-N 628.460 3.701 50 10 KHGE O=C(COc1ccccc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212757 VWTAOXKJUXGLEH-UHFFFAOYSA-N 528.428 3.785 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Br)cc(Br)c1O 100869658 HFEKDIIBCZODKB-WYMPLXKRSA-N 527.213 3.976 50 10 KHGE CSCC[C@H](C(=O)Nc1cccc(C)c1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 103618876 ZJZCVKBDKIUHRQ-HJGLJVKWSA-N 544.309 3.833 50 10 KHGE COc1cccc(OCC(=O)NN=Cc2ccc(OC)c(Cn3nc(C)c(Br)c3C)c2)c1 1084031424 HTUCROUTNDSNEJ-UHFFFAOYSA-N 501.381 3.857 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2cccc(OCC(=O)OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084169119 DJMYUBIZVDBLPH-UHFFFAOYSA-N 560.028 3.636 50 10 KHGE COC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 1084267291 XSPKVMIIHHCCML-QGZVFWFLSA-N 528.197 3.727 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCCN1CCOCC1 1865687306 ODUKYXAKHLSOOD-HHHXNRCGSA-N 550.619 3.872 50 10 KHGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1956234398 RBEYJFRPWZVBRA-OPAMFIHVSA-N 511.413 3.626 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@](CNC(=O)OC(C)(C)C)(C(=O)O)c1ccccc1 2378020110 RGXDWMFMUPPLJZ-QHCPKHFHSA-N 515.698 3.987 50 10 KHGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 206827543 NWXTWXYXAUJEFU-YVLHZVERSA-N 502.596 3.995 50 10 KHGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207210067 JYPSYMVZLMDYRY-QKHIKCBBSA-N 501.539 3.762 50 10 KHGE CC(CC(=O)Nc1ccccc1Cl)=NNC(=O)CC(=O)NN=C(C)CC(=O)Nc1ccccc1Cl 1084580595 HKCZCGOOWCGXDK-UHFFFAOYSA-N 519.389 3.725 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1cccc(OC)c1OC)c1ccccc1 1084623261 DCONZDIIHQRFNF-UHFFFAOYSA-N 562.442 3.821 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860771828 JADWNMSXTRICLB-RYUDHWBXSA-N 509.415 3.820 50 10 KHGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687191 LQWVWYFEQGGJFB-SANMLTNESA-N 515.614 3.763 50 10 KHGE O=S(=O)(c1cc(CBr)sc1Br)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179789971 YCVVGTMHTNMAAN-CVEARBPZSA-N 536.311 3.679 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100196046 RBYUXGPROHEKLJ-UHFFFAOYSA-N 565.671 3.978 50 10 KHGE COc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1OC 252616332 JZSBRRIGYIERTA-UHFFFAOYSA-N 539.610 3.519 50 10 KHGE CCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(NC(=O)CC)cc3)cc2)cc1 254801217 SSDMWPDUZYJSND-UHFFFAOYSA-N 512.570 3.911 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1Cl 1084432770 UZWHRKXGMMBHBG-LJQANCHMSA-N 573.071 3.521 50 10 KHGE CC[C@H](NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866845229 XNORPCGJLJAXSI-WMZOPIPTSA-N 529.669 3.691 50 10 KHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)COCc1ccccc1 1902793541 WRWQZQXLISVQIX-LJQANCHMSA-N 537.476 3.599 50 10 KHGE N#CC(=Cc1cc(Br)c(I)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 2313556808 LKWJBGSTHJLXFI-SUMWQHHRSA-N 508.117 3.854 50 10 KHGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2Br)c(Br)c1 13977662 BHHPDRFGBAHFTJ-UHFFFAOYSA-N 500.187 3.688 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 100088245 NFGPNRYFFCSMSC-UHFFFAOYSA-N 528.856 3.880 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1I 150388599 ZCMBZDPDSHOPCK-UHFFFAOYSA-N 657.122 3.848 50 10 KHGE CCCCCCOc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 252426641 INZACIMZNYCMHW-QWQGWLCTSA-N 592.423 3.980 50 10 KHGE O=C(NN=Cc1ccc(Br)c([N+](=O)[O-])c1)NN=Cc1ccc(Br)c([N+](=O)[O-])c1 1084038880 GFMQZDDQYQVUNW-UHFFFAOYSA-N 514.090 3.695 50 10 KHGE CC(C)(NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867230071 GDMGBXFHWWARJL-KRWDZBQOSA-N 514.409 3.591 50 10 KHGE Cc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1B(O)O 2381162033 ZABWARVVWJBJGV-XMMPIXPASA-N 504.367 3.706 50 10 KHGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccccc1Br 100088108 WZPOJJVXYHMLDZ-UHFFFAOYSA-N 521.618 3.580 50 10 KHGE CCOC(=O)COc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 100219132 LYRCUCFXKFJWKK-PUDRWSQFSA-N 554.381 3.596 50 10 KHGE C[C@H](Br)Cc1cn(-c2cc(I)cc(I)c2)nn1 709274316 XBSUWDFTJGWKQC-ZETCQYMHSA-N 517.934 3.802 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC(=O)OC)c(I)c2)cc1 1084180551 QWGNJHWRGMUUTM-LJQANCHMSA-N 619.250 3.968 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084425124 OKZDOOGKJWNFEL-VIZOYTHASA-N 507.284 3.782 50 10 KHGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 2314737023 HMBDMZJZPAXNFB-SFHVURJKSA-N 509.518 3.509 50 10 KHGE COc1ccc(/C=N/NC(=O)c2[nH]cnc2C(=O)Nc2ccc(Cl)cc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2946137 OLBRAZZOQKIMCL-VPUKRXIYSA-N 550.963 3.858 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1I 100079455 PJGRUPNPVHNBIO-ZRDIBKRKSA-N 531.375 3.802 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100203291 ZETCVIVCIPBRSA-NSHDSACASA-N 565.273 3.884 50 10 KHGE COc1c(I)cc(I)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 103878534 XCVKVEJQLMAAIW-QGMBQPNBSA-N 551.078 3.577 50 10 KHGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2CC(=O)OC)cc(OCC)c1OCC 103919684 OOOBVZVAFBUMEZ-LFVJCYFKSA-N 581.651 3.967 50 10 KHGE CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150411447 CXYDDYNNVDWKJB-QTMOJHABSA-N 667.769 3.706 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(NC(C)=O)cc2)c2ccc(C)cc2)cc1OC 254399847 HERMYCJWZWYSAP-UHFFFAOYSA-N 538.626 3.706 50 10 KHGE Cc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccccc1 254672065 ZZOMHXNTQKBHHD-UHFFFAOYSA-N 560.632 3.629 50 10 KHGE CCOC(=O)COc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 1084525113 VCOBYJDWOMUELU-FQEVSTJZSA-N 584.407 3.604 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866870966 AGBRSZNCRQMTEW-RLWLMLJZSA-N 542.617 3.904 50 10 KHGE CC1(C)OC[C@H](NC(=O)c2cc(I)ccc2Br)[C@@H]1Br 1911024549 DJIMGKPLYFPTLD-QWRGUYRKSA-N 502.972 3.724 50 10 KHGE C[C@H](N=C=O)c1cc(I)cc(I)c1I 1951523162 CRWLUBKVVWJURT-YFKPBYRVSA-N 524.865 3.897 50 10 KHGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCCOCCOCCOCc1ccccc1 2211319683 KAVWSLIQKFMMHY-QFIPXVFZSA-N 537.435 3.971 50 10 KHGE O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cc(Br)cc(Br)c1O 1922142 XAMJYUMTODNNNF-QPSGOUHRSA-N 534.002 3.560 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100196007 FBHISVPYNLSCPL-UHFFFAOYSA-N 565.671 3.978 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 100210960 LDYNTYIDNKTPKA-UHFFFAOYSA-N 552.447 3.518 50 10 KHGE O=C(O)CN(Cc1ccccc1O)C[C@H](Cc1ccc(NC(=O)CBr)cc1)N(CC(=O)O)Cc1ccccc1O 137644978 PJZDMOUUFZCTBD-DEOSSOPVSA-N 614.493 3.516 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 205778632 GHDOGMUHSPKXHT-OVBDPADQSA-N 559.556 3.780 50 10 KHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 254420850 XIWPBKVUAXWJOY-UHFFFAOYSA-N 503.555 3.892 50 10 KHGE O=C(CNc1cccc(Br)c1)NN=Cc1cc(I)cc(I)c1O 254853299 OOOQUCXHNDKLSD-UHFFFAOYSA-N 599.992 3.926 50 10 KHGE O=C(N[C@@H](C[S@@](=O)C[C@H]1C[C@@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877479464 VYLPSXAFSPGXBB-GMICFOAISA-N 506.418 3.901 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CC[C@H](I)C1 1994517171 VRRHJBGQLQUPOR-QMMMGPOBSA-N 505.919 3.703 50 10 KHGE C[C@H](Br)CN1CCN(C(=O)c2cc(I)ccc2Br)CC1 2170216293 OVUQHNJMMPFBCR-JTQLQIEISA-N 516.015 3.595 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)c2ccc(CCl)cc2)C1 2271988612 XUVGEKROOCUKBV-UHFFFAOYSA-N 504.049 3.560 50 10 KHGE CC1=C(Br)C(=O)[C@@](C)(Br)[C@H](Br)C1=NS(=O)(=O)c1ccccc1 2297463839 OPWIFPBMJSZQCX-OCCSQVGLSA-N 514.033 3.985 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 2349648893 CKZSTTQGXVCSJO-DMPWYTOCSA-N 505.703 3.725 50 10 KHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13621180 HUBPKSNNBOVBTQ-BJMVGYQFSA-N 512.813 3.615 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)cc(C)c1 14650263 AIQHAEZRQFSVLY-UHFFFAOYSA-N 508.438 3.959 50 10 KHGE C[C@@H](CO)OCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCO[C@H](C)CO 197424371 ARUUUQLULLOGLU-SZPZYZBQSA-N 528.908 3.740 50 10 KHGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1I 235312658 MHMCZJVBKVIHMY-SCZZXKLOSA-N 502.972 3.678 50 10 KHGE CCOc1ccc(N2C(=O)C(=CNNC(=O)c3ccc(CSc4nncn4C)cc3)c3ccccc3C2=O)cc1 2042445457 OSZZBBSCUCHAAJ-UHFFFAOYSA-N 554.632 3.969 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CCOC[C@H](CBr)C1 2098217318 GJPZZOGVDBNCHD-SECBINFHSA-N 502.972 3.537 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2207260208 FBYBNAZYYDGMRF-TVYUQYBPSA-N 514.983 3.821 50 10 KHGE C[C@@H]1CC(O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)S1(=O)=O 2352654923 FLPIHSPCMPSCNW-LBTNJELSSA-N 501.427 3.562 50 10 KHGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865708776 FVHMOTMAGIIWCT-AREMUKBSSA-N 516.602 3.830 50 10 KHGE Cc1nnc([C@H](CC(=O)NCC(=O)Nc2ccc(SC#N)cc2)c2cccc(Br)c2)o1 1868156971 MRLDNUMOCVCTLX-GOSISDBHSA-N 500.378 3.991 50 10 KHGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2268681141 OXJOMLLFUKQTJW-SSOJOUAXSA-N 506.433 3.511 50 10 KHGE COCCCNC(=O)Cn1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)c2cc(Br)ccc21 2313624472 VDGCWHYKJHPVNI-UHFFFAOYSA-N 553.413 3.509 50 10 KHGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2C)cc1Br 13976332 AGHMHRFYSYUCOO-UHFFFAOYSA-N 515.227 3.543 50 10 KHGE Cc1ccccc1O[C@H](C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 13994165 XUGILIVUNGIICM-CYBMUJFWSA-N 500.187 3.822 50 10 KHGE CCc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 14039909 QPAFCBZAJLBMLR-GFCCVEGCSA-N 500.187 3.768 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br 14770877 YFPHCEOXGJZGOM-UHFFFAOYSA-N 514.829 3.833 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)ccc1O 58992053 KKBRDJWZQBDPCD-ZMOGYAJESA-N 519.425 3.548 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)ccc1Br 100081917 JOQLZRWDVDCUTK-UHFFFAOYSA-N 562.273 3.884 50 10 KHGE Cc1onc(-c2ccccc2)c1C(=O)NNC=C1C=C(I)C(=O)C(I)=C1 137099113 LPXSQDCVUZKHLT-UHFFFAOYSA-N 573.128 3.989 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCC#N)c(OCC)c2)cc1 1084180808 NXFPLPGFVZMLLQ-FQEVSTJZSA-N 551.381 3.955 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866855702 RYJJOQPDOILRES-QHCPKHFHSA-N 538.532 3.768 50 10 KHGE CN1CCC[C@H]([C@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2089535185 KCHDNGRJSSNOSS-VXGBXAGGSA-N 523.028 3.914 50 10 KHGE COc1cc(NS(=O)(=O)c2ccc(NC=C(C=O)c3nc4cc(Cl)ccc4o3)cc2)nc(OC)n1 2297532478 FBYUIEROWJGGFE-UHFFFAOYSA-N 515.935 3.741 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cccc(Br)c3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642448 GDAPGKILSITURB-CWLHSXRESA-N 601.538 3.878 50 10 KHGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)c1 100254276 QGVQSDLUBPIIJC-UHFFFAOYSA-N 545.253 3.713 50 10 KHGE O=C(O)COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1Cl 103870600 VFQXNIBVVDXWGZ-QPSGOUHRSA-N 520.561 3.858 50 10 KHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772743880 KVQHYNJHCOOOFR-UHFFFAOYSA-N 513.348 3.797 50 10 KHGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2313682982 OXKGYGBWGMHZEB-UHFFFAOYSA-N 561.551 3.589 50 10 KHGE C[C@H](Br)CN1CCN(Cc2ccc(I)c(Br)c2)CC1 2349857155 PHWXXRFXIPEOHQ-NSHDSACASA-N 502.032 3.955 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H](CBr)OCC12CC2 2183964927 CLFSXPNYGAKVJJ-JTQLQIEISA-N 514.983 3.822 50 10 KHGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(C(=O)O)cc1 2313568433 SFADVPGUPFBQAB-UHFFFAOYSA-N 506.296 3.572 50 10 KHGE CN(C)C[C@@H]1C[C@@H](Br)CN1Cc1ccc(I)c(Br)c1 2349862148 MSPRIFKGEVHADB-NEPJUHHUSA-N 502.032 3.953 50 10 KHGE C[C@H](CO)OCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCO[C@H](C)CO 197424385 ARUUUQLULLOGLU-FGZHOGPDSA-N 528.908 3.740 50 10 KHGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccccc1 725425726 FKBWPLKIOKIVFJ-UHFFFAOYSA-N 508.600 3.779 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccccc1[N+](=O)[O-] 1084175735 RYTKJGVMDIPMML-UHFFFAOYSA-N 577.408 3.831 50 10 KHGE Cc1c(C#C[Si](C)(C)C)cc(B(O)O)cc1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887522626 ADAKTATWARYPIA-UHFFFAOYSA-N 552.556 3.970 50 10 KHGE CN1CC[C@H]([C@@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2029051864 PIXWHNLGCSXTMF-MNOVXSKESA-N 509.001 3.524 50 10 KHGE Cc1cnc(-n2c(C)nc(I)c2I)cc1CBr 2307311256 FENIFPJSFRRGJK-UHFFFAOYSA-N 517.934 3.988 50 10 KHGE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)c1ccccc1Br 2313682333 AGVNURNPTRNAGA-UHFFFAOYSA-N 528.388 3.533 50 10 KHGE Cc1ccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)c(I)c2)cc1 3079918 GTVGINOHLAWGKF-WYMPLXKRSA-N 503.296 3.974 50 10 KHGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)cc1 12572719 AWHOAVQOBXNKQI-UHFFFAOYSA-N 515.227 3.543 50 10 KHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cc(Br)ccc1O 58990158 KYRNQDRVOGRXRZ-ZVHZXABRSA-N 500.422 3.960 50 10 KHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCc1ccccc1 101013188 PBMZPZQAEVFADB-BWAHOGKJSA-N 553.644 3.784 50 10 KHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 101599561 KVQHYNJHCOOOFR-KOEQRZSOSA-N 513.348 3.797 50 10 KHGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746377 DTVDNVZBOHBPEH-UHFFFAOYSA-N 511.398 3.594 50 10 KHGE C[C@H](CBr)N1CCN(C(=O)c2cc(Br)ccc2I)CC1 2169358056 KAZYORKCKVLLTN-SNVBAGLBSA-N 516.015 3.595 50 10 KHGE Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 13994162 XUGILIVUNGIICM-ZDUSSCGKSA-N 500.187 3.822 50 10 KHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039713 LEFQOJIODBGPKJ-UHFFFAOYSA-N 520.611 3.688 50 10 KHGE COc1cccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)C2=O)c1 103349883 KEUCSYRTNHBVGQ-VCHYOVAHSA-N 540.450 3.820 50 10 KHGE COc1ccc(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CC2)cc1 215668292 AXISLXOLACSPOR-UJKDZDEISA-N 558.672 3.875 50 10 KHGE biogenic CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC(=O)O)c(OCC)c2)cc1 1084271554 PBAIJVPOCLJDDY-LJQANCHMSA-N 523.380 3.674 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)c2ccc(C)cc2C)cc1 1084338693 QSPSICLARONYJR-UHFFFAOYSA-N 550.681 3.861 50 10 KHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720700 WGMZBXQMFXGXIL-UHFFFAOYSA-N 578.578 3.890 50 10 KHGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 2295924246 HNNRRAUXDSCTGJ-UHFFFAOYSA-N 504.977 3.691 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2313860668 HWGMXMLTWSQRIJ-UHFFFAOYSA-N 572.235 3.542 50 10 KHGE COc1ccc(Br)cc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)N2CCOCC2)cc1OC 2314795924 DYJOFWFRWRXPMU-UHFFFAOYSA-N 527.371 3.851 50 10 KHGE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2351484810 JKFXAAUTFITHGT-AOMKIAJQSA-N 507.719 3.973 50 10 KHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 9821911 JPWBLPNIGIQSIO-ZDUSSCGKSA-N 500.404 3.512 50 10 KHGE O=C(COc1ccccc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 12490962 QHLYKLINVIMWRP-UHFFFAOYSA-N 508.166 3.970 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14654305 SJPFFQWFUPSYQL-UHFFFAOYSA-N 508.438 3.761 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100079963 RRWKBCATZLFRSM-NSHDSACASA-N 535.247 3.933 50 10 KHGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 101013616 NMAGBQRUEIWHQY-PBMMVTTKSA-N 595.747 3.560 50 10 KHGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101341356 GGGLQGFAXWGGQG-BUVRLJJBSA-N 525.521 3.993 50 10 KHGE COc1ccc(N2CCN(c3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3[N+](=O)[O-])CC2)cc1 101471512 DCGPRFNOKJSONY-UHFFFAOYSA-N 548.387 3.549 50 10 KHGE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@H]3O[C@H]1C[C@@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H](C)O1 575417017 IJUAKMXOOVCLEV-QFPTZQOGSA-N 753.796 3.751 50 10 KHGE C=CCn1c(SCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nnc1-c1cccnc1 1084556675 WIPKZYQYDRCGME-UHFFFAOYSA-N 552.252 3.999 50 10 KHGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1ccc(Br)cc1I 2142284538 DPCPGMDZPVLZHU-WPRPVWTQSA-N 502.972 3.584 50 10 KHGE COc1ccc(C=CC(=O)NCC(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)cc1 2296935011 ZNMVGAGIAADOLF-UHFFFAOYSA-N 552.381 3.949 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccccc3Cl)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642482 JJHDYZGLZGFCAG-LUROOHPNSA-N 557.087 3.769 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1Br 100184718 JXCCCKNANAZXPV-UHFFFAOYSA-N 545.253 3.715 50 10 KHGE COc1cc(C(=O)NCCCC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC 100869954 SOSBJYOADPXSMA-DPNNOFEESA-N 609.632 3.618 50 10 KHGE CCOc1ccc(C(C)=NNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1 254770373 BRBHSNJEDZDLGU-UHFFFAOYSA-N 511.600 3.838 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 254897802 OZTPHCRBRAYSTN-UHFFFAOYSA-N 502.552 3.815 50 10 KHGE CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2c1 504491577 HVOBNXMVASDBRD-YSTUFIJBSA-N 639.705 3.935 50 10 KHGE biogenic O=C(NN=Cc1c(F)cccc1Cl)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084348454 LWLYKTKHASJLKS-UHFFFAOYSA-N 502.793 3.793 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748143 YWWNTQZTUKHYOC-UHFFFAOYSA-N 568.384 3.733 50 10 KHGE O=C(CCl)c1cc(I)c(I)c(I)c1 2054975485 UBKJYIXQEIMPFH-UHFFFAOYSA-N 532.284 3.922 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2OCC[C@]2(CBr)C1 2296359827 HZENYJLUWATCNM-JSGCOSHPSA-N 514.983 3.680 50 10 KHGE COc1cc(OC)c(OC)cc1C=NNC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2296977111 HZIULXVBRZTZDX-UHFFFAOYSA-N 504.499 3.542 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)C[C@H]2CSC[C@@H](C1)N2C(=O)OC(C)(C)C 2378017015 ZAWHLLKULQEQFJ-XVQYUUQNSA-N 537.770 3.820 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1I 100087955 QLIPWRJQKOJFMG-UHFFFAOYSA-N 538.411 3.534 50 10 KHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC1CCCCC1 2164513860 MAVUZERRNFCVHT-HRAATJIYSA-N 503.434 3.664 50 10 KHGE C[C@@H]1C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@H](C)CN1C(=O)OC(C)(C)C 2349654046 GSYVEXZHLHAVJQ-XCGNWRKASA-N 507.719 3.971 50 10 KHGE CCOc1ccc(N/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c([N+](=O)[O-])c1 39894149 GCGTWRMAOFJDOE-HMMYKYKNSA-N 506.515 3.758 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)cc(I)c2O)cc1 100234420 OCHYYDGADSUIED-CBVHTYNASA-N 594.187 3.964 50 10 KHGE COC(=O)c1cc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc(C(=O)OC)c1 101464251 IEUNWNVFXNZGHU-UHFFFAOYSA-N 556.535 3.977 50 10 KHGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/Nc1ccc(Oc2ccc(N/C=C3/C(=O)N(C)C(=O)C(C#N)=C3C)cc2)cc1 102773569 NRTOTNMIFXBVPV-RYQLWAFASA-N 548.559 3.748 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1I 150388349 XVPPKKIJUUKLMX-UHFFFAOYSA-N 643.095 3.539 50 10 KHGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CCCl)c3ccccc32)c1 252617658 KXXWHMPKBVPCRX-INGKGMQQSA-N 532.984 3.581 50 10 KHGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=C2C(=O)N(CC(C)C)c3ccccc32)c1 254625755 CAFSQYBNYVZJPW-UHFFFAOYSA-N 506.584 3.633 50 10 KHGE CN(C)c1ccc(C=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1 1084313622 DUIXQSFFWZLXGR-UHFFFAOYSA-N 502.442 3.510 50 10 KHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 1902793540 WRWQZQXLISVQIX-IBGZPJMESA-N 537.476 3.599 50 10 KHGE C[C@H](Br)COCc1cn(-c2cc(I)ccc2Br)nn1 2278380997 SKDJCJIGCAUUMT-QMMMGPOBSA-N 500.960 3.934 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(I)c([N+](=O)[O-])c1 2296092105 FAMFLKVSGPNKDK-UHFFFAOYSA-N 527.406 3.835 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 100080163 HLOYXRQYAJNIIB-UHFFFAOYSA-N 541.427 3.968 50 10 KHGE CCCCCN1C(=O)/C(=N/NC(=O)CC(=O)N/N=C2/C(=O)N(CCCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 100870216 NQMHGDSSPDRXPM-FFUAXAOHSA-N 590.681 3.508 50 10 KHGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c2)C[C@@H](C)O1 256024820 CTPXKAKBZPVSMY-QUUUYMLDSA-N 575.691 3.539 50 10 KHGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c(=O)c1C#N 1084221673 PMVBBLFHNAJTFA-UHFFFAOYSA-N 598.410 3.583 50 10 KHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2ccc(Br)cc2I)C1 2142285107 LMMQIRXKJUXNMB-NXEZZACHSA-N 502.972 3.678 50 10 KHGE O=C(NNC(=S)NC(=O)c1ccccc1I)c1ccc(OCc2ccccc2)cc1 100141304 NWLCEOIMRWOMJG-UHFFFAOYSA-N 531.375 3.820 50 10 KHGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCn3ccnc3)c2)C[C@@H](C)O1 101013881 XURPPIWKVWFAJA-CQMUHVERSA-N 599.717 3.647 50 10 KHGE N#C/C(=C/Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2cccc(Br)c2)cs1 102459311 LKVCVTVLZHJPMP-RAXLEYEMSA-N 504.391 3.906 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2cc(Cl)ccc2O)nnc1-c1ccc(Br)cc1 1084033323 FJZWSWXGFFOSRT-UHFFFAOYSA-N 509.817 3.803 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(C)c(C)c2)cc1 1084289418 OEWPIYRBTWMMOQ-UHFFFAOYSA-N 565.652 3.702 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1858673228 OKMOPMAVRSJTQO-UHFFFAOYSA-N 511.541 3.608 50 10 KHGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCC(=O)N(CC)CC 1865706792 FSAWIVZAKLFWBV-DEOSSOPVSA-N 501.587 3.951 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 2343816798 FKLCRPJYNMMSAX-OYLFLEFRSA-N 526.851 3.651 50 10 KHGE CCOC(=O)COc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 100219281 NSPKUZIFZVJCFP-LZUVTCDBSA-N 598.434 3.994 50 10 KHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600363 XZNYKYCKLBMXNY-NLRVBDNBSA-N 509.906 3.695 50 10 KHGE CN1CCN(C(=O)c2ccc(I)c(Br)c2)[C@@H](CCBr)C1 2202834452 JZTGHGQKTLZVIT-NSHDSACASA-N 516.015 3.595 50 10 KHGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(N3CCN(Cc4ccccc4)CC3)nc12 2296546148 PNRXSMFTHANWDQ-UHFFFAOYSA-N 525.634 3.664 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2313862283 QCVKOQRSPUQGRQ-UHFFFAOYSA-N 572.235 3.542 50 10 KHGE COc1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)cc1Cn1nc([N+](=O)[O-])c(Br)c1C 27520762 GQOALTTUWFXFAC-BHGWPJFGSA-N 504.316 3.751 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 100163987 JMKPTEMLYLOOJN-UHFFFAOYSA-N 533.448 3.926 50 10 KHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100235018 XDXZQOCTGOFEJU-UHFFFAOYSA-N 538.464 3.702 50 10 KHGE Cc1ccc(OCC(=O)O)c(/C=N\NC(=O)c2cc(Br)ccc2NS(=O)(=O)c2cccs2)c1 675031082 WFGGOZFIIBXLLT-KSEXSDGBSA-N 552.428 3.847 50 10 KHGE O=C1N=C(NNC(=O)c2ccc(Br)cc2)N(c2ccccc2)/C1=C\c1ccc2c(c1)OCO2 33777742 JDQXEWLZKFYMSQ-UNOMPAQXSA-N 505.328 3.856 50 10 KHGE CCOc1ccc(CC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1OCC 100061863 HHOXQICZWQJCDO-UHFFFAOYSA-N 530.213 3.778 50 10 KHGE CCCN(CCC)CN1C(=O)C(=NNC(=O)CON=Cc2ccccc2)c2cc(Br)ccc21 254764329 NZBKPSMAKVCYOW-UHFFFAOYSA-N 514.424 3.746 50 10 KHGE COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 1083932358 WMPJKQHVNVAPSP-RQZCQDPDSA-N 559.360 3.599 50 10 KHGE CCCCCN1C(=O)C(=NNC(=O)CCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 1772720520 NVEZZAJMKXEHRQ-UHFFFAOYSA-N 515.408 3.635 50 10 KHGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@@H]1C[C@H]1Br 1897190777 ZQYXBVVQCIRCDA-LVXYXVKQSA-N 536.444 3.955 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189069443 VDBUBHHVDIWKQD-WOFXILAISA-N 514.983 3.536 50 10 KHGE Cc1c(/C=N/NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 3143144 CYLPHFBVLKOAMP-VWMUFHNQSA-N 505.578 3.962 50 10 KHGE CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 97945225 FWWDYSTTZBLGKL-OGKOVRRHSA-N 512.242 3.528 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1Br 100210868 LNWNNNCFHOQSGE-UHFFFAOYSA-N 545.253 3.957 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600353 ZKTQHQOUPSPNST-NLRVBDNBSA-N 554.357 3.804 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610819 OHWUMQYIVRYBBK-ZXVVBBHZSA-N 523.387 3.825 50 10 KHGE N#C/C(=C/Nc1ccc(S(=O)(=O)O)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216486091 SNLVCESIJWUGQV-ATJXCDBQSA-N 502.596 3.686 50 10 KHGE COc1cc(C(=O)NN=Cc2cc(I)c(O)c(I)c2)ccc1I 252627141 RNLKGSYBESQJEH-UHFFFAOYSA-N 647.976 3.979 50 10 KHGE O=C(NN=Cc1ccc(N2CCOCC2)cc1)c1ccc(NN=Cc2ccc(N3CCOCC3)cc2)cc1 254520602 GZXVNUXMIZHCGG-UHFFFAOYSA-N 512.614 3.570 50 10 KHGE COc1c(C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)ccc2ccccc12 1084213106 SFIGSEJSEOGRGK-UHFFFAOYSA-N 518.529 3.625 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084339409 UNKOMBIGWNYOEF-UHFFFAOYSA-N 517.991 3.711 50 10 KHGE COc1ccc(Br)cc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 1084460722 LPIODBCBPBZOAG-UHFFFAOYSA-N 590.496 3.859 50 10 KHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC(CCl)CCl)CCN1C(=O)OC(C)(C)C 1999495557 ZDMDGWOYZQKUBM-UHFFFAOYSA-N 504.477 3.505 50 10 KHGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2ccc(Br)cc2I)C1 2142277067 LHUQYVXCCXWPPM-OKAXRFMISA-N 520.927 3.922 50 10 KHGE C[C@]1(CBr)COCCN(C(=O)c2cc(I)ccc2Br)C1 2199825009 KFPZAFKNQXDJMO-CQSZACIVSA-N 516.999 3.927 50 10 KHGE O=C(NN=CC=NNC(=O)C(=Cc1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=Cc1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 2297617003 ICRBLLPEWRODHD-UHFFFAOYSA-N 674.630 3.949 50 10 KHGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609639 FSMNCWFUPSVSPX-UHFFFAOYSA-N 549.675 3.874 50 10 KHGE CC(C)(C)OC(=O)[C@@]1(N(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)CSC[C@@H]1O 206914729 PISNKGOLEFDKDQ-NBGIEHNGSA-N 502.589 3.655 50 10 KHGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1 254624361 QFOCNTLWLXSWBY-UHFFFAOYSA-N 503.500 3.993 50 10 KHGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccccc1 1084110609 BYKVGYAOIVPRMH-UHFFFAOYSA-N 572.043 3.739 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 1772720215 IXAUXFWPKIMRQL-UHFFFAOYSA-N 579.606 3.609 50 10 KHGE Cc1ccc(S(=O)(=O)NNC(=O)CCCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1 2296226473 ZOMDGRWHMBYYMP-UHFFFAOYSA-N 510.062 3.640 50 10 KHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(C)cc(Br)cc2C)c(OC)c1 2314737687 KERRMUFKDRIFFM-UHFFFAOYSA-N 517.376 3.729 50 10 KHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14030654 RJLWAOXRBPMRMY-UHFFFAOYSA-N 514.829 3.852 50 10 KHGE COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc(Br)c1O 71433544 COWBRCHQQWBXQC-YCPBAFNGSA-N 513.373 3.752 50 10 KHGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1 101478272 PSKZDUXAVVMNCE-HYARGMPZSA-N 532.398 3.759 50 10 KHGE CC1(C)[C@]2(C(=O)NCCCNC(=O)[C@]34CC[C@](C)(C(=O)[C@@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256018927 AENPEZGPSCAJCD-VBTHLWSBSA-N 588.381 3.927 50 10 KHGE O=[N+]([O-])c1cc(CBr)ccc1-n1cnc(I)c1I 302422358 KBOSBIVGXDLRIC-UHFFFAOYSA-N 533.889 3.885 50 10 KHGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cccc(Br)c3)cc2)cc1 1084496203 RMKDIKILDFLJRA-UHFFFAOYSA-N 509.360 3.864 50 10 KHGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749620 WQALKQQXXHARSS-UHFFFAOYSA-N 514.626 3.639 50 10 KHGE CN1CCN(C2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)CC2)CC1 1867282806 CAWOGCCAFPAXHB-GNCHDMCWSA-N 505.688 3.732 50 10 KHGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1ccc(Br)cc1I 2207267812 NOBXBBBVOFKXRH-NWDGAFQWSA-N 514.983 3.869 50 10 KHGE O=C(NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40611601 CVQCHAPEVVHOCE-UHFFFAOYSA-N 523.597 3.982 50 10 KHGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1ccccc1I 100092224 MWHKYKWXXFDXOU-UHFFFAOYSA-N 531.375 3.673 50 10 KHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)cc1 100142536 MYHZQFKCEXFDOI-UHFFFAOYSA-N 541.411 3.818 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)c1 102991576 APGCYAKHQHNMBD-XLNRJJMWSA-N 521.643 3.629 50 10 KHGE CCOc1cc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214436977 WNGVNUOXUJLIGG-JLPGSUDCSA-N 518.566 3.836 50 10 KHGE COc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3ccc(OC(=O)c4ccc(F)cc4)c(OC)c3)s2)cc1 254733905 MJOSTFRQQNFPTG-UHFFFAOYSA-N 563.567 3.859 50 10 KHGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)cc2)cc1 1084295448 AVIQMLJNRQLTTN-UHFFFAOYSA-N 543.045 3.891 50 10 KHGE CC(=NNC(=O)c1cccnc1)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C(C)=NNC(=O)c3cccnc3)cc2)cc1 1565504480 LZNDWEDTUUSYAC-MEKGRNQZSA-N 594.628 3.941 50 10 KHGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686795 BBIPFYBUDSYQII-SANMLTNESA-N 515.614 3.681 50 10 KHGE O=C(NCCCBr)c1cc(O)c2cc(Br)cc(I)c2n1 1866533372 SRVKXWXPEZFYKK-UHFFFAOYSA-N 513.955 3.822 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCC(=O)OC 2313567717 NDVHJNWWPKGGBY-UHFFFAOYSA-N 528.403 3.655 50 10 KHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)c(Br)c1 100080437 BBRGBSCCKPDCKR-UHFFFAOYSA-N 541.855 3.539 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602200 SEIFRZWFNJOGMT-YZSQISJMSA-N 509.906 3.695 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 150422410 ITNBNCGHWBTBNM-UHFFFAOYSA-N 758.056 3.886 50 10 KHGE O=C(CCc1ccccc1)NN=Cc1cc(I)cc(I)c1O 1084337315 SBQNOCHVEOIUTB-UHFFFAOYSA-N 520.108 3.684 50 10 KHGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(O)c(I)c1 1084425042 YDAQYTCMTYEGGZ-HNNXBMFYSA-N 503.134 3.723 50 10 KHGE O=C(NCCOCCOCCOCCOCCBr)OCC1c2ccccc2-c2ccccc21 2060014589 PASRAVNFZRTUHL-UHFFFAOYSA-N 522.436 3.986 50 10 KHGE O=S(=O)(C[C@@H](Br)c1cc(I)ccc1Br)N1CCCC1 2089389300 NEMDAOFKWUPTGE-GFCCVEGCSA-N 523.028 3.915 50 10 KHGE O=S(=O)(c1ccc(Br)c(CBr)c1)N1CC2(CN(Cc3ccccc3)C2)C1 2123364435 ZDMCYQPUCGOTDJ-UHFFFAOYSA-N 500.256 3.851 50 10 KHGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2268680047 JINFOHDLHSRQCN-CRICUBBOSA-N 506.433 3.511 50 10 KHGE COc1cc(C=NNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1OCc1ccc(C)cc1 12447716 NICWWNMYEMHZFK-UHFFFAOYSA-N 511.542 3.715 50 10 KHGE CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c(SC#N)c1C 14021556 JGVMTWLGGQMHCJ-HNNXBMFYSA-N 523.658 3.854 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1Br 100199352 SUCXSVLKZYQZEO-UHFFFAOYSA-N 545.253 3.957 50 10 KHGE CC1=C(Br)C(=O)[C@](C)(Br)[C@H](Br)/C1=N/S(=O)(=O)c1ccccc1 102478616 OPWIFPBMJSZQCX-TWRDMTQSSA-N 514.033 3.985 50 10 KHGE O=C(NC[C@@]1(CBr)CCCOC1)c1cc(I)ccc1Br 700914333 UDAGECXAMMBPJZ-AWEZNQCLSA-N 516.999 3.975 50 10 KHGE Cc1c(I)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1B(O)O 1887520526 APRFFOIREHMPJN-UHFFFAOYSA-N 527.167 3.627 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CCOC[C@@H](CBr)C1 2098237757 NDUXXGBGDILHAM-VIFPVBQESA-N 502.972 3.537 50 10 KHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2cc(Br)ccc2I)C1 2109025625 WFNWESXPHAYVRL-VHSXEESVSA-N 502.972 3.678 50 10 KHGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1cc(I)ccc1Br 2111278758 CFFDKVORYWKZAD-PELKAZGASA-N 502.972 3.584 50 10 KHGE O=S(=O)(C[C@H](Br)c1ccc(Br)cc1I)N1CCCC1 2142284313 ARTARAFYMZHAFZ-NSHDSACASA-N 523.028 3.915 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2268644622 LYHIQNJVXQWJSJ-IVCQMTBJSA-N 506.795 3.912 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C(C)=C(C#N)C1=O 2314620617 SVNJIQHTWKNPAU-UHFFFAOYSA-N 555.547 3.619 50 10 KHGE O=C(CCCN1C(=O)c2ccccc2C1=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326839989 IKMFZJLBKRQZAB-UHFFFAOYSA-N 500.942 3.784 50 10 KHGE CC(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Br 13979998 UHVBNPLETHNIBG-UHFFFAOYSA-N 500.187 3.940 50 10 KHGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 58988719 XCXWOEGKNXGKQZ-ZMOGYAJESA-N 502.442 3.510 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1I 100083457 YDNXIVRBBXEYBW-UHFFFAOYSA-N 558.829 3.616 50 10 KHGE COC(=O)c1ccc(COc2ccc(C=NNC(=O)CCN3CCN(c4ccccc4)CC3)cc2)cc1 254501339 ONMFJPQCNFRIMN-UHFFFAOYSA-N 500.599 3.715 50 10 KHGE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@H]3O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H](C)O1 575417013 IJUAKMXOOVCLEV-FFGJJVOCSA-N 753.796 3.751 50 10 KHGE CC1(C)OC[C@@H](NC(=O)c2ccc(Br)cc2I)[C@@H]1Br 2142282763 IFLQEQSGFPCFBX-MNOVXSKESA-N 502.972 3.724 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2283963700 MGVPWSJAKCCMTB-QSAFDGGLSA-N 520.460 3.901 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OC 2313546033 XYYRWJVOXJKUDN-UHFFFAOYSA-N 517.367 3.954 50 10 KHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(OCC)cc1 14036198 OYUUJWMNCAJIAT-UHFFFAOYSA-N 500.621 3.709 50 10 KHGE NC(=O)N/N=C(/CCC/C(=N\NC(N)=O)c1ccc(Br)cc1)c1ccc(Br)cc1 102409342 MIJIZIOSDSTXGB-DRPBVWSQSA-N 524.217 3.827 50 10 KHGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 103735809 RVGKQTNEQKSHIL-XKMRCYARSA-N 571.637 3.852 50 10 KHGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 254826178 YVSHTSHSKSKLPI-UHFFFAOYSA-N 505.527 3.801 50 10 KHGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)cc1)c1ccccc1 1084410496 APFZKODZUXHGKV-KRWDZBQOSA-N 523.387 3.794 50 10 KHGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1ccccc1 1772760257 JXKHXJUQAMNAIY-KRWDZBQOSA-N 517.611 3.716 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCCN1CCOCC1 1865687640 WMLSIYZYEANVGB-RUZDIDTESA-N 566.456 3.881 50 10 KHGE CC1(C)OC[C@H](NC(=O)c2ccc(Br)cc2I)[C@@H]1Br 2142282764 IFLQEQSGFPCFBX-QWRGUYRKSA-N 502.972 3.724 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 2377097222 CHCRMELOICKHTL-VBURHUQHSA-N 519.730 3.971 50 10 KHGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 207210030 JYPSYMVZLMDYRY-NVPQHFGRSA-N 501.539 3.762 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)c(O)c3)n2-c2ccc(OC)cc2)cc1 254451828 MNXTZSIQBQNSQS-UHFFFAOYSA-N 505.556 3.605 50 10 KHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(C(F)(F)F)c1 254835454 KLHMVIOPYXVETG-UHFFFAOYSA-N 510.450 3.790 50 10 KHGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3OCC(=O)O)n2-c2ccccc2)cc1 254843588 CFKPFDNWWJXYDP-UHFFFAOYSA-N 501.568 3.949 50 10 KHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)c2ccc(C)cc2)cc1 1084625336 MFTLUXDBERYJJV-UHFFFAOYSA-N 541.626 3.765 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745853 LGWOEKVESRRDHB-UHFFFAOYSA-N 500.342 3.835 50 10 KHGE Brc1ccc(I)cc1CO[C@H]1COC[C@@H]1I 1902315753 QOCFRWNKGKSVMZ-QWRGUYRKSA-N 508.919 3.773 50 10 KHGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1914341126 HGMSDWLKSOVIPT-QGZVFWFLSA-N 507.450 3.924 50 10 KHGE COC[C@@](C)(CBr)CNC(=O)c1cc(I)ccc1Br 1926999253 INOKQJZEZFCRDJ-ZDUSSCGKSA-N 504.988 3.831 50 10 KHGE COCCNC(=O)C(C#N)=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2c(C)cccn2c1=O 2296732170 CGAJQHZWDLOPSP-UHFFFAOYSA-N 507.594 3.879 50 10 KHGE COC(=O)c1c(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)sc(C(C)=CC#N)c1C 2331562185 PMXULOACYQLNSF-UHFFFAOYSA-N 502.346 3.767 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1Br 12573309 ZXTNXKMHFJLANP-UHFFFAOYSA-N 515.227 3.543 50 10 KHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC 13977361 AOPVQVYPBSIXQB-UXBLZVDNSA-N 512.415 3.905 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 100869680 RBEYAXNNOSFQRZ-BIZUNTBRSA-N 563.607 3.991 50 10 KHGE CCOc1cc(C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC(=O)c1ccc(OC)cc1 254527292 GDBHLGZSXDPASN-UHFFFAOYSA-N 545.577 3.920 50 10 KHGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3cccnc3)[C@H]2C)c(Br)c2c1OCO2 254833534 IIQOOMLFUZZTAQ-RFAUZJTJSA-N 540.168 3.558 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)Cc2ccccc2)cc1 1084614020 XYEQRMVIIPCPQQ-UHFFFAOYSA-N 574.659 3.624 50 10 KHGE O=C(/C=C/c1cccc(OCc2ccccc2)c1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860770893 BEPVVJKWIQDXKB-BUHFOSPRSA-N 514.607 3.777 50 10 KHGE C#CCOc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313566912 DGORAIFLBRSPAE-UHFFFAOYSA-N 527.362 3.568 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1(F)F 2350361221 NSJKYTMRLSNTMO-IBGZPJMESA-N 515.645 3.582 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)cc1 100081531 SZRHHISWOMCXBI-UHFFFAOYSA-N 616.332 3.738 50 10 KHGE CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](CI)O[C@H](Oc2ccc(Oc3ccccc3)cc2)[C@H]1OC(C)=O 504285780 WMDFAFFCJRGMPH-HTUFRPJOSA-N 584.359 3.813 50 10 KHGE biogenic COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c(OC)c1 1084434927 ZSXCGXQNYHBLRK-UHFFFAOYSA-N 532.018 3.853 50 10 KHGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4Cl)c(C)c32)cc1 1772748860 OOMALCNQVVBHNT-UHFFFAOYSA-N 514.991 3.644 50 10 KHGE CC[C@H](c1ccc2c(c1)CCCC2)N1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960549 DMORYAPSAVXTHS-ISJGIBHGSA-N 503.647 3.642 50 10 KHGE CC1(C)CC[C@H](Br)[C@@H](CNS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2164512011 FINUZFYOMXFCIZ-DAESXHAQSA-N 503.434 3.520 50 10 KHGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 9779770 IQUDZKKYHDPPDY-UHFFFAOYSA-N 501.164 3.944 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)c(C)c1 14655630 QRDUJMCPGOBZDY-UHFFFAOYSA-N 500.802 3.524 50 10 KHGE O=C(NN=Cc1cccc(C=NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1)c1cc(-c2ccccc2)n[nH]1 254614423 FYVAULLYYYPITN-UHFFFAOYSA-N 502.538 3.995 50 10 KHGE C[C@H](Cl)c1nc(N)nc(Nc2cc(I)cc(I)c2)n1 690422632 ZQXQLGJJHOAOPS-YFKPBYRVSA-N 501.497 3.706 50 10 KHGE CS(=O)(=O)SCCNC(=O)[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F 1085210311 MOJQBNGTBRYNMF-MLUPGTEMSA-N 839.961 3.781 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccnc(Cl)c3)cc2)cc1 1858999182 NZJISCPBXFLCCS-UHFFFAOYSA-N 516.004 3.791 50 10 KHGE Cc1sc2ncn(CC(=O)NNC(=O)CCC(=O)c3ccc(Cl)cc3)c(=O)c2c1-c1ccccc1 1860769892 KPXOTSXMAIMYHM-UHFFFAOYSA-N 508.987 3.897 50 10 KHGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865686995 HCLSYUONYNDCLX-VWLOTQADSA-N 515.614 3.898 50 10 KHGE CC1(C)OC[C@@H](NC(=O)c2cc(Br)ccc2I)[C@H]1Br 1911025231 GHRBXSMKWAPFJZ-GHMZBOCLSA-N 502.972 3.724 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146696307 CRJIXSJOSSNHGJ-ZWKOPEQDSA-N 514.983 3.821 50 10 KHGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 2297464366 GKDONHYOFBRERD-UHFFFAOYSA-N 504.615 3.879 50 10 KHGE C#CCOc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OCC 58891597 FBPFJHUHYGMGPN-OQLNFPPLSA-N 506.340 3.666 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 100113035 XGOALWVXMYGPQF-UHFFFAOYSA-N 601.317 3.569 50 10 KHGE Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cc(OCc3ccc(F)cc3)ccc2Br)cc1 100140030 IAWJJGUOTDCENY-LGJNPRDNSA-N 534.407 3.904 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100203353 MWAIMRWTGIBEHV-UHFFFAOYSA-N 577.501 3.942 50 10 KHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCCC1 253574228 SHWOAMSXMOAFHP-ZCTHSVRISA-N 595.737 3.984 50 10 KHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2OC)c(OC)c1 254475529 QHDPDPYCASBBAM-ZSUJPZTCSA-N 504.499 3.542 50 10 KHGE C[C@@H]1[C@H](OC(=O)CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254841904 UZEOVNLCUPRZCB-OKCTWKEHSA-N 586.682 3.591 50 10 KHGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750406 DJYYKAQIYMDKHW-SDXDJHTJSA-N 504.480 3.968 50 10 KHGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)=C(C#N)C1=O 2314617909 CWRXYYBUHGHOSG-UHFFFAOYSA-N 615.712 3.579 50 10 KHGE CCOc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1 58989115 XSBDDUWBVXEHET-ZVHZXABRSA-N 503.426 3.843 50 10 KHGE Cc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1Br 100059793 MRFUPRWCWZZLLK-UHFFFAOYSA-N 568.266 3.611 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602228 OTLUNYDHABKLKO-WGOQTCKBSA-N 554.903 3.603 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150442200 KUXVWYQMRWIJOK-FABQOPTDSA-N 639.658 3.626 50 10 KHGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OC2CSC2)cc1)S(=O)(=O)c1ccccc1 252634232 WLHQICINILBBPZ-UHFFFAOYSA-N 511.625 3.535 50 10 KHGE CCOc1cc(C=NNC(=O)Cc2nnc(N)s2)cc(Br)c1OCc1ccc(F)cc1 252634791 WQUANRDURXMFRA-UHFFFAOYSA-N 508.373 3.692 50 10 KHGE CC(=NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(N2CCOCC2)cc1 254414405 HPOZDFWPGMRBJN-UHFFFAOYSA-N 520.655 3.806 50 10 KHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)c(=O)c23)C1 1860769965 NPYICTCPJHNMBU-VXGBXAGGSA-N 509.415 3.505 50 10 KHGE O=S(=O)(c1ccc(CBr)cc1Br)N1CC2(CN(Cc3ccccc3)C2)C1 2123267868 ITTGWUYJQUCXBJ-UHFFFAOYSA-N 500.256 3.851 50 10 KHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1OC 2313617289 XXHWPWUCYRUQSW-UHFFFAOYSA-N 518.595 3.613 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC)cc1 100193875 UAPUUVXORZINEI-UHFFFAOYSA-N 552.447 3.519 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599678 RNJOGVWGGPOPBA-ZXVVBBHZSA-N 539.386 3.661 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cccc(O)c1 252627823 SCCYGWVFNJPHHC-UHFFFAOYSA-N 548.410 3.629 50 10 KHGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)C1 254700771 MLWHHMBIBVZTSV-NRFANRHFSA-N 544.077 3.772 50 10 KHGE O=C(NCCCN1CCOCC1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237769 NAHHKXBQXYRAAV-HXUWFJFHSA-N 503.974 3.919 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC(=O)OC)c(I)c2)cc1 1084180550 QWGNJHWRGMUUTM-IBGZPJMESA-N 619.250 3.968 50 10 KHGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1cccc(Cl)c1 1084191023 QOZNCQSYAYWKER-UHFFFAOYSA-N 503.939 3.596 50 10 KHGE CCCC[C-](C(=O)N/N=C/c1ccc(OCC)c(OC)c1)C(=O)N/N=C/c1ccc(OCC)c(OC)c1 1614950209 PAMYYBWFFNDGBA-POAOKBCDSA-N 511.599 3.866 50 10 KHGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 2324837814 ZLFLYUIEOXYVFW-UHFFFAOYSA-N 500.624 3.615 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1Br 100087232 LXINNOINYOAKLZ-UHFFFAOYSA-N 551.644 3.588 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1cccc([N+](=O)[O-])c1 104768513 ZQMCGQLOVQJYFA-AUEPDCJTSA-N 599.265 3.820 50 10 KHGE COc1ccc(C(C)=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1OC 252625527 QLXLTHQGJPFGBD-UHFFFAOYSA-N 507.918 3.682 50 10 KHGE COc1cc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)NN=Cc2ccc(N(C)C)cc2)cc(OC)c1OC 254631512 UNLMIMWNEGNUIJ-VWPFHTGNSA-N 520.561 3.839 50 10 KHGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)ccc1OCc1ccccc1C 254708773 WEXHXOMBQBSHIL-UHFFFAOYSA-N 573.658 3.514 50 10 KHGE CCC(=NNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 1084142596 AWVIYEMNFIYYMJ-UHFFFAOYSA-N 586.623 3.755 50 10 KHGE COc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1OC 1084191844 QXWBWJBUVXQKKD-UHFFFAOYSA-N 501.992 3.698 50 10 KHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2cc(Br)ccc2I)C1 2109025626 WFNWESXPHAYVRL-ZJUUUORDSA-N 502.972 3.678 50 10 KHGE O=C(c1cc(I)ccc1Br)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146691066 FBYALOKYCCYNHI-ZWKOPEQDSA-N 514.983 3.821 50 10 KHGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCCc2ccccc2)c(Br)c1 100314123 WMXYXJZSEBUZBV-JOCHJYFZSA-N 595.519 3.755 50 10 KHGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cc(I)cc(I)c1O 100451572 CLDLXTJRLFTHGU-IXJMWADBSA-N 550.134 3.565 50 10 KHGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 1084012065 GMIUOJMDYLZSOC-UHFFFAOYSA-N 554.581 3.522 50 10 KHGE CC[C@@](C)(NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867250185 HTVIDPJSEYRUDX-XMSQKQJNSA-N 528.436 3.981 50 10 KHGE Cc1nc(I)c(I)n1-c1cncc(F)c1CBr 1941557030 SZIYPYPETXPFQW-UHFFFAOYSA-N 521.897 3.819 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 100869681 FEAZOHYQXZAOKQ-FDAWAROLSA-N 549.580 3.601 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 254705983 RZVBSJCSMJBAEX-UHFFFAOYSA-N 501.568 3.972 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)Cc2ccccc2)cc1OC 1084641385 VONLFZZLJJXERD-UHFFFAOYSA-N 644.750 3.783 50 10 KHGE CCCCCCCCCCCC(=O)O[C@H]1[C@H]([S@](C)=O)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848434894 CIBVDGZXDAXGHD-MWHNCOIASA-N 623.297 3.877 50 10 KHGE C[C@H](CBr)N1CCN(C(=O)c2ccc(I)c(Br)c2)CC1 2169364672 RTBLUDLYMNKKPP-SNVBAGLBSA-N 516.015 3.595 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1c(F)cc(F)cc1Br 2181754233 WICWZHPFFHRAMV-UHFFFAOYSA-N 507.444 3.912 50 10 KHGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OC)c1 2293198114 PNABTZMHLCQKTK-VWLOTQADSA-N 535.556 3.717 50 10 KHGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 2296540765 QHYWBXVBIZIRPA-JOCHJYFZSA-N 504.612 3.847 50 10 KHGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100145621 IDUWXNSMCGXUCP-OYRHEFFESA-N 556.619 3.693 50 10 KHGE CCOc1cc(C=NNC(=O)Cc2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254742113 WIUAJRMUVPDGRI-UHFFFAOYSA-N 507.499 3.923 50 10 KHGE CCOC(=O)Cc1c(I)cc(CBr)cc1I 2055237634 CZSIDJRNVIHHOR-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822539 JCXIVXDDRQAXDY-QFMPWRQOSA-N 500.599 3.787 50 10 KHGE CCOC(=O)c1c(N)sc(/C(C)=N/NC(=O)CCCCC(=O)N/N=C(\C)c2sc(N)c(C(=O)OCC)c2C)c1C 105436375 SCBXRDSYLOWANE-CMNXJCJSSA-N 592.744 3.885 50 10 KHGE O=C(c1cccnc1)N1CC[C@H](I)[C@@]2(CCCN2C(=O)OCc2ccccc2)C1 1615152101 SULLWLHCRPHDFY-SIKLNZKXSA-N 505.356 3.903 50 10 KHGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860772652 DJUVKRNNAOZIOS-FDVSRXAVSA-N 517.611 3.523 50 10 KHGE CCOC(=O)Cc1ccc(I)c(I)c1CBr 2055220271 WLKNIBHFYARWCX-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCCOCCOCCOCc2ccccc2)C1 2211319649 JQFAMQFWTAYCDH-PMACEKPBSA-N 535.419 3.676 50 10 KHGE CN(C)C(=O)[C@@]1(C)CSS[C@@](C)(C(=O)N(C)C)CSS[C@@](C)(C(=O)N(C)C)CSS1 12384504 KIYYDWQIWSKZSL-KZNAEPCWSA-N 531.882 3.685 50 10 KHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cc(OC)ccc1OC 59261127 DLNHNBCIFHTGTQ-LGJNPRDNSA-N 501.012 3.989 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 103723567 JXMVISIBSYTWQF-JJKYIXSRSA-N 537.359 3.536 50 10 KHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 253564721 GWOOFMJPSLRNRY-MZJWZYIUSA-N 547.048 3.647 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2OC)cc1OC 1772720603 UBUQNXGQHXMPKX-UHFFFAOYSA-N 524.442 3.512 50 10 KHGE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1 1867198354 RKKZMNGMHADROD-LJQANCHMSA-N 515.389 3.644 50 10 KHGE CC(C)(c1ccc(OC[C@H](O)CNS(C)(=O)=O)cc1)c1cc(Cl)c(OC[C@H](O)CCl)c(Cl)c1 2080157056 DCXVYXPVNSMWPG-IAGOWNOFSA-N 540.893 3.587 50 10 KHGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2350352062 GYVZSKIWEDNMFA-HOTGVXAUSA-N 507.719 3.828 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC2(CC(NC(=O)OC(C)(C)C)C2)C1 2350357707 SJVTZQQPRXLCGA-UHFFFAOYSA-N 505.703 3.773 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)Cc2ccccc2)cc1 100139159 XYEQRMVIIPCPQQ-KCSSXMTESA-N 574.659 3.624 50 10 KHGE O=C1CCC/C(=N\NC(=O)c2cc(NS(=O)(=O)c3cccs3)cc(NS(=O)(=O)c3cccs3)c2)C1 102722649 IIZGVBUBKQFTED-PXLXIMEGSA-N 552.681 3.640 50 10 KHGE COc1cc(C=NNC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc(Br)c1O 252642691 ZOILHBVBQCXEJZ-GPCCHUJTSA-N 539.342 3.993 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185308228 DBVAESTYPKPDIG-ZWKOPEQDSA-N 514.983 3.821 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 100203314 QXIJMFPPFNBRIO-UHFFFAOYSA-N 585.480 3.984 50 10 KHGE Cc1c(C=NNC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1082988407 CYLPHFBVLKOAMP-BDBXBMETSA-N 505.578 3.962 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Br)cc2)cc1 1084538869 WHMWXFPEDMNQSR-UHFFFAOYSA-N 560.426 3.922 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1 1084614550 KUVRVGUFHADWCY-UHFFFAOYSA-N 529.204 3.712 50 10 KHGE COC(=O)c1c(NC(=O)C(=O)NN=Cc2ccccc2OC(=O)c2ccccc2Cl)sc2c1CCC2 1084618319 KOLKFOYUIIXQMB-UHFFFAOYSA-N 525.970 3.985 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cccc(C#N)c3)cc2)cc1 1859002576 FVVQPPPJGNODRL-UHFFFAOYSA-N 505.581 3.614 50 10 KHGE O=C(NC[C@@H](Br)CBr)c1cc(Br)ccc1I 1981566419 UFQJECCPRMETPY-ZETCQYMHSA-N 525.804 3.942 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2269559300 SZLSVHSELACYMR-RUZDIDTESA-N 506.795 3.912 50 10 KHGE CCc1cc(B(O)O)ccc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 2283960591 ZKBGFQZDUCLPFH-CLYVBNDRSA-N 500.404 3.821 50 10 KHGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314617668 QIHJKLFPIMDAQN-UHFFFAOYSA-N 541.633 3.936 50 10 KHGE C[C@@H]1[C@@H](C)[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)CCN1C(=O)OC(C)(C)C 2349654473 JTQZDLGPZAEHDR-MCFFVMPBSA-N 507.719 3.971 50 10 KHGE CC(C)Oc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br 14658699 KFSJXZVUYBTKIW-UHFFFAOYSA-N 503.134 3.916 50 10 KHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2Br)cc1 14832349 NXULABNPZRWNDS-HNNXBMFYSA-N 507.381 3.745 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1ccccc1Br 58989699 YOKOHGIFASBFJG-GZIVZEMBSA-N 500.209 3.971 50 10 KHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 100079899 ASLADPAFAOMSGA-SNVBAGLBSA-N 521.220 3.624 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1cccc(I)c1 100449536 YYNCDKQYNNOHDD-UHFFFAOYSA-N 553.976 3.656 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)c1 101332276 PZOPFFMJNRRUEN-LFVJCYFKSA-N 529.622 3.792 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104769466 VEKAKNCGTOHYIO-KKMKTNMSSA-N 582.986 3.950 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)c2ccc(C)c(C)c2)cc1 254371654 UCWQQTOJVVHMLU-UHFFFAOYSA-N 550.681 3.861 50 10 KHGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)o1 254709013 YTDPIYRLDYYJSF-UHFFFAOYSA-N 511.420 3.977 50 10 KHGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)OC 1084059050 IVPPHNPLBKIDSE-RCCKNPSSSA-N 524.415 3.985 50 10 KHGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746383 AZIISZWITVESOP-UHFFFAOYSA-N 504.499 3.919 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cc(B(O)O)cs1 2268643671 LCDFLKJMUWCZPW-TZPNTHKFSA-N 506.433 3.559 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)OC(C)(C)C 2377102216 UOZIZYKVVHHHPE-TWJGEFDFSA-N 523.693 3.815 50 10 KHGE COc1ccc(CCNS(=O)(=O)c2cc(NC(=O)CCCCl)ccc2N2CCCC2)cc1OC 34919311 QMBOVBSONNKOGQ-UHFFFAOYSA-N 510.056 3.783 50 10 KHGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 100190739 ITEZJGCBWQPRHN-UHFFFAOYSA-N 549.491 3.606 50 10 KHGE CCOc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)ccc1O 1084466002 ROPBDTUFMXQHQJ-UHFFFAOYSA-N 562.442 3.908 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 2349644075 GPLALDNTGVDNIZ-PONJGIIJSA-N 505.703 3.725 50 10 KHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1C 10154240 FEDGMLVIXZPQNR-FQEVSTJZSA-N 507.612 3.864 50 10 KHGE COc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38608996 HEQCSMKQBVXLNZ-BUVRLJJBSA-N 518.566 3.755 50 10 KHGE CCc1cccc(CC)c1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217206707 CAMNSMSNJVNDEK-MNDPQUGUSA-N 503.024 3.944 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530989 UNUCCJSFGMVRKV-VRZPXPRBSA-N 602.084 3.677 50 10 KHGE biogenic COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC(C)=O)c(OC)c3)nc3ccccc3c2=O)cc1 254315628 AHZYEYWQYSRTGT-UHFFFAOYSA-N 532.578 3.571 50 10 KHGE CSCCOC(=O)COc1ccc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 254351593 UFDGUXLOOVUMJZ-UHFFFAOYSA-N 541.651 3.561 50 10 KHGE NNC(=O)c1ccc(COc2c(I)cc(Cl)cc2I)s1 312650377 UAXSUDHKPUTPFE-UHFFFAOYSA-N 534.544 3.793 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccccc1O 1084332916 JKHCARPDOIEYOG-UHFFFAOYSA-N 516.417 3.538 50 10 KHGE CCOC(=O)Cc1ccc(I)c(CBr)c1I 2055231442 NBFVNKJQJGMFJC-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE CN1CC[C@H]([C@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2086149477 OJBYYTRGLCCDFP-GHMZBOCLSA-N 509.001 3.524 50 10 KHGE COCCCN1C(=O)C(=CNc2c(Br)cc([N+](=O)[O-])cc2Br)C(C)=C(C#N)C1=O 2314585752 RFRGAPAXPOHXGW-UHFFFAOYSA-N 528.157 3.661 50 10 KHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c(Br)c1 13623344 WGRFPZNOCJMVMW-LPHOPBHVSA-N 502.409 3.538 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)c(Br)c1 100086931 ZNENJYOOTUIXHK-UHFFFAOYSA-N 529.254 3.797 50 10 KHGE CN(C)C(=O)[C@]1(C)CSS[C@](C)(C(=O)N(C)C)CSS[C@](C)(C(=O)N(C)C)CSS1 229889892 KIYYDWQIWSKZSL-BZSNNMDCSA-N 531.882 3.685 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(O)c(O)c3)n2-c2ccccc2)cc(OC)c1OC 254480114 SBKSJSOPDWTCCG-UHFFFAOYSA-N 535.582 3.614 50 10 KHGE COCCN(CCOC)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 256019266 RDKDJTLPEOBHRZ-KNXALSJPSA-N 520.100 3.794 50 10 KHGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccccc2OCC(=O)O)cc1 2293453453 LODKWRILPLMARJ-UHFFFAOYSA-N 520.973 3.791 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2378007687 UKUXCMGRWILLIM-PBNUPURSSA-N 519.730 3.973 50 10 KHGE O=C(Oc1cccc(/C=N/NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c1)c1cccc(Br)c1 36046920 WUOYZBKFVWBCHY-NRXNYLSCSA-N 506.356 3.648 50 10 KHGE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(=O)CBr)cc1)CN1C(=O)c2ccccc2C1=O 91353061 WIDHOLNQGNPVKS-KRWDZBQOSA-N 501.377 3.996 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccc(F)cc1 100083667 QZBMIWJLAXKGST-QPJJXVBHSA-N 545.228 3.773 50 10 KHGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 254703515 GBIJMPDKCGJWBC-UHFFFAOYSA-N 519.554 3.592 50 10 KHGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1OC 1084134767 VVEKEHCCSKEMHH-UHFFFAOYSA-N 544.855 3.901 50 10 KHGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1ccccc1O 1084468015 DXZUBVNVUPRAJP-UHFFFAOYSA-N 508.991 3.839 50 10 KHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC3CCCCC3)c(N3CCN(Cc4ccccc4)CC3)nc12 2296731358 RAUJZMZKRKTJCR-UHFFFAOYSA-N 510.642 3.681 50 10 KHGE N#CC(=Cc1cc(Br)c(I)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 2313556807 LKWJBGSTHJLXFI-GUYCJALGSA-N 508.117 3.854 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 100076642 NYBVZUKBKOGCDA-UHFFFAOYSA-N 582.230 3.988 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c1 103806424 MZUOAPVWWDYIMT-GJISQHIDSA-N 533.654 3.772 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1 1867291432 MOCWWHFUTZDHNS-HXUWFJFHSA-N 504.534 3.727 50 10 KHGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H](CBr)O1 2142286140 XXWSGTCMGPKEKX-WPRPVWTQSA-N 502.972 3.678 50 10 KHGE C=CCOc1c(I)cc(I)cc1C=C(C#N)c1[nH][nH]c(=N)c1C#N 2294623621 JQILPIIKAZJTHM-UHFFFAOYSA-N 543.106 3.532 50 10 KHGE BrC[C@@H]1N(c2ncc(I)cc2Br)CC12CCOCC2 2352938883 LYXMVYAQDQEURT-NSHDSACASA-N 501.988 3.829 50 10 KHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 38658397 DLNWREQCRJMHEX-RUZDIDTESA-N 503.467 3.815 50 10 KHGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c2)CC1 101013660 ZJNGYYXMKIVCQY-ZYSRDMNZSA-N 617.728 3.705 50 10 KHGE N#CC1=C(N)n2c(sc(=Cc3ccccc3C(F)(F)F)c2=O)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 252677733 ZQOKNGGFAACEHW-IBGZPJMESA-N 518.442 3.899 50 10 KHGE C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 253624542 UZEOVNLCUPRZCB-HJFUOGNRSA-N 586.682 3.591 50 10 KHGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(N(CC)CC)cc3O)o2)c(O)c1 254391166 LWHKXYNKBUIKBX-UHFFFAOYSA-N 534.617 3.911 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084419021 KZLNCHNPESASLM-UHFFFAOYSA-N 602.069 3.829 50 10 KHGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@H]1C[C@H]1Br 1991493208 ZQYXBVVQCIRCDA-IFZYUDKTSA-N 536.444 3.955 50 10 KHGE Cc1nc(I)c(I)n1CCOCCc1nc(CCl)cs1 2145231481 GVZVBLQMTLFRCA-UHFFFAOYSA-N 537.592 3.855 50 10 KHGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)NN=Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12 2321698117 FISILWWKUQGMID-UHFFFAOYSA-N 504.930 3.979 50 10 KHGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccccc3)cc2)cc1 12502191 RQWWOWYYGYWDDV-UHFFFAOYSA-N 504.612 3.951 50 10 KHGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 263622119 JIPNFNKJTJLVNP-UHFFFAOYSA-N 504.572 3.598 50 10 KHGE CN(C)c1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084106774 LXQDPLBTJSVKEU-UHFFFAOYSA-N 529.460 3.856 50 10 KHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1 1772719589 BJZMZVBDEQJULY-UHFFFAOYSA-N 518.526 3.873 50 10 KHGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(C)=O 2295483038 TUSWVJKSFVHETR-UHFFFAOYSA-N 500.555 3.608 50 10 KHGE Brc1cc(CN2C[C@H]3COC[C@@H](C2)[C@@H]3Br)ccc1I 2349836439 MLNBVTKWRFGDAP-YABSGUDNSA-N 501.000 3.895 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040760 XTARLPGEDJZOST-UHFFFAOYSA-N 514.003 3.821 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cc([N+](=O)[O-])ccc3O)n2-c2ccccc2)cc(OC)c1OC 252609373 HSRYXRAZMXSVFS-UHFFFAOYSA-N 564.580 3.816 50 10 KHGE CCc1ccccc1N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccc(C)cc1 1084568755 FEDBNCDCILFVQP-UHFFFAOYSA-N 565.652 3.648 50 10 KHGE COc1ccc2c(c1)/C(=N/NC(=O)CCC(=O)N/N=C1/C(=O)N(CCC(C)C)c3ccc(OC)cc31)C(=O)N2CCC(C)C 100870270 MXLWGMSOEVDUQN-CRHVBUSDSA-N 604.708 3.610 50 10 KHGE COC(=O)c1ccc(C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)cc1P(c1ccccc1)c1ccccc1 199417538 ABJATKZPSPFIQY-IKDALVHHSA-N 792.936 3.633 50 10 KHGE N#CC1=C(N)n2c(sc(=Cc3cccc(C(F)(F)F)c3)c2=O)=C(C#N)[C@@H]1c1cccc(C(F)(F)F)c1 252669560 HWZADVJTBNSZIR-LJQANCHMSA-N 518.442 3.899 50 10 KHGE CC(C)(NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866834323 VUQXOIWRUCKDJB-INIZCTEOSA-N 529.669 3.691 50 10 KHGE Cc1cc(CBr)cnc1-n1c(C)nc(I)c1I 1941553267 POQJRAVTAXWWLV-UHFFFAOYSA-N 517.934 3.988 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314620329 NCACNSYRLRZIMM-UHFFFAOYSA-N 657.749 3.886 50 10 KHGE N#CC1=C(N)n2c(s/c(=C/c3ccc(F)c(Br)c3)c2=O)=C(C#N)[C@@H]1c1ccc(F)c(Br)c1 1825833 PUOZOMGAPHEDSW-BAJDGBACSA-N 576.220 3.664 50 10 KHGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642204 BCSOPZKWFNAFRF-UHFFFAOYSA-N 500.305 3.630 50 10 KHGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 100087145 VLXBXROLLABDQJ-UHFFFAOYSA-N 522.808 3.735 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1I 100158266 XRSSASUEUPIFKZ-UHFFFAOYSA-N 591.427 3.707 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 101336484 MNIOFGAVNGPMHH-RDRPBHBLSA-N 620.691 3.748 50 10 KHGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1ccc(Cl)cc1Cl 101570090 LMYKCSCSCKGAEX-UHFFFAOYSA-N 531.187 3.951 50 10 KHGE CC(=NNC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccc(OCc2ccc(F)cc2)cc1 254679876 RMKXWRDMAVESQM-UHFFFAOYSA-N 512.505 3.772 50 10 KHGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 725415134 XWABCZAOZNXBQU-UHFFFAOYSA-N 503.422 3.773 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 1084470163 NEEHXSQZIHOVKM-UHFFFAOYSA-N 549.575 3.842 50 10 KHGE O=C(NN=Cc1c[nH]c2ccccc12)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 1772743332 IWUJAWFQNYVRRZ-VWLOTQADSA-N 515.589 3.633 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CCOC[C@@H](CBr)C1 2098217319 GJPZZOGVDBNCHD-VIFPVBQESA-N 502.972 3.537 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2COC[C@]2(CBr)C1 2234568107 QXAWAVTYVVOIOK-OTYXRUKQSA-N 514.983 3.537 50 10 KHGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1cc(F)ccc1[N+](=O)[O-] 2297616744 NXWFDJLVXCKBRG-UHFFFAOYSA-N 526.502 3.515 50 10 KHGE O=C(C=Cc1ccc(F)cc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 2330899824 UDLLRYAEHCLSCZ-UHFFFAOYSA-N 531.493 3.722 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 101604827 LKBVCJLSYDHBKQ-OGLMXYFKSA-N 530.368 3.600 50 10 KHGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084436409 XFCNSOSGEQKCKX-UHFFFAOYSA-N 511.534 3.877 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2COC[C@@H](C1)C2Br 2207270238 BREIYHSBVMULEM-PHXKMMTBSA-N 514.983 3.536 50 10 KHGE COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)CNC(=O)c3cccc(Br)c3)c2)cc1 48572834 JVOAVYZLRVQXIS-MZJWZYIUSA-N 510.344 3.557 50 10 KHGE COc1cc(C=NNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc(OC)c1OC 254841187 RTPXPPFPCXHXBA-CGVQZEPTSA-N 504.499 3.542 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744124 UILIAXRPNATYFU-UHFFFAOYSA-N 554.357 3.804 50 10 KHGE O=C(O)[C@H]1O[C@@H](OCCOc2ccc(/C(=C(/CCCl)c3ccccc3)c3ccccc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O 1848435271 YDXDCGFFHUKTCU-DHOUGSNNSA-N 555.023 3.562 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cc4ccccc4oc3=O)cc2)cc1 1858672569 HAURAXMSYIIMTK-UHFFFAOYSA-N 534.575 3.807 50 10 KHGE C=C[C@@]1(CBr)COCCN1C(=O)c1ccc(I)c(Br)c1 2199857220 XZALVRLWXNCDAJ-CQSZACIVSA-N 514.983 3.846 50 10 KHGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1cc(Br)ccc1I 2206483784 GHJUEKWKVZKYIT-VXGBXAGGSA-N 514.983 3.869 50 10 KHGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 2313630033 ACQVSBNMLTYFSF-UHFFFAOYSA-N 520.449 3.869 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 2314646983 XNTSDYRCDFZGLY-HXUWFJFHSA-N 559.556 3.780 50 10 KHGE BrCC(CBr)(Cc1ncc(I)cn1)C1CCOCC1 2353072556 UQWJPSUICMHRTI-UHFFFAOYSA-N 504.004 3.827 50 10 KHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NCCCn1ccnc1 102688098 FSJLVPDPDGXOEC-MOHJPFBDSA-N 555.664 3.634 50 10 KHGE COc1ccc(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CC2)cc1 253624511 AXISLXOLACSPOR-YAQLLRKCSA-N 558.672 3.875 50 10 KHGE Cn1c(SCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 254854680 JLLZXKVXFRWHPO-UHFFFAOYSA-N 539.581 3.880 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 1084323600 AEXQALSPSHDPBK-UHFFFAOYSA-N 578.691 3.822 50 10 KHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865686818 BOFLABZIDAMLST-HSZRJFAPSA-N 571.556 3.837 50 10 KHGE COc1ccc(C=CC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1OC 2313601871 HRHVNMMXUVHQTA-UHFFFAOYSA-N 528.197 3.777 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(OC)c1 14650327 HUDJNDCWIZBJKF-UHFFFAOYSA-N 510.410 3.595 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 100201904 XHDLTFSKWABCIP-UHFFFAOYSA-N 577.501 3.942 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084196907 KHIIEMUNVSWFQW-UHFFFAOYSA-N 514.003 3.510 50 10 KHGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1084351174 NTCXTIYQDWQBIL-UHFFFAOYSA-N 579.690 3.902 50 10 KHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743456 BIKZXBAHKSHLLI-UHFFFAOYSA-N 539.386 3.904 50 10 KHGE COc1ccc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867223167 HVVGZBPIEOXNRC-OAQYLSRUSA-N 513.689 3.510 50 10 KHGE CCOC(=O)Cc1c(I)ccc(CBr)c1I 2055233025 REPPGDDYGSWOMO-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)s1 2267109361 ONUMNXMXWICHMB-UHFFFAOYSA-N 502.533 3.992 50 10 KHGE CCOc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1 58989119 QCAKPSZFWSZXPM-ZVHZXABRSA-N 503.426 3.843 50 10 KHGE O=C(CCN(NC(=O)c1cccc2ccccc12)C1=NS(=O)(=O)c2ccccc21)NC1CCCCC1 59857784 KHENIIQJIRPTII-UHFFFAOYSA-N 504.612 3.775 50 10 KHGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Br)cc4)c(C)c32)cc1 101609506 UXOMXLKUYMNXSU-LGUFXXKBSA-N 559.442 3.753 50 10 KHGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1OC 206244745 UXIMKXHNRQJNJI-UYRXBGFRSA-N 507.572 3.847 50 10 KHGE CCOc1ccc(C=NNC(=O)c2ccccc2NC(C)=O)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254814472 LJBFXGVTTMPMAO-PKTZIBPZSA-N 527.625 3.589 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866855701 RYJJOQPDOILRES-HSZRJFAPSA-N 538.532 3.768 50 10 KHGE CN1CC[C@@H]([C@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2029056411 ZCUPUTQWFLWDGT-WDEREUQCSA-N 509.001 3.524 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041073 NUWRUBBFXZFUKO-UHFFFAOYSA-N 507.612 3.982 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 100081455 FPGFTYLLOPIJJA-UHFFFAOYSA-N 565.671 3.653 50 10 KHGE O=C(CSc1nc2ccccc2[nH]1)NNC(=O)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 105597356 MAYQZLCMEWWDRW-UHFFFAOYSA-N 531.623 3.723 50 10 KHGE COc1ccc(C(C)=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 254296074 XYFMCXZDDHFFQN-NLERVUKSSA-N 502.483 3.643 50 10 KHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccccc1F 1083850842 KESWIUNDHXTBSR-UHFFFAOYSA-N 504.381 3.929 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748882 FMRAKPZSMXXGFY-UHFFFAOYSA-N 530.368 3.600 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189069452 VDBUBHHVDIWKQD-YFKFIEJBSA-N 514.983 3.536 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201763804 QGFVIOPJLSARDD-IINYFYTJSA-N 514.983 3.822 50 10 KHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC12CCCCC2 2241026367 KTWUZBVBGGTLJX-QRWLVFNGSA-N 501.418 3.513 50 10 KHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)N1CCOCC1 2296848636 NVPGYEXLOFNCTN-UHFFFAOYSA-N 545.665 3.870 50 10 KHGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OCC 41012818 TVCINQFDPZMLOJ-QUYAADPBSA-N 506.555 3.877 50 10 KHGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1I 100084969 XRWFQLNNYKTNPV-UHFFFAOYSA-N 539.551 3.556 50 10 KHGE CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 100166468 GDIFXFWIESPSOH-UHFFFAOYSA-N 545.253 3.633 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCCN1CCOCC1 1865687354 PGAHUMOQNLGRGD-JOCHJYFZSA-N 541.530 3.829 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)c2ccccc2)cc1 1866907857 AVEJQIPGDRAILE-XCZPVHLTSA-N 589.743 3.679 50 10 KHGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(Br)cc1I 2207261764 NAPGCMVFVYQGAI-GHMZBOCLSA-N 516.015 3.593 50 10 KHGE COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@H](c3ccc(F)cc3)C(C#N)=C(N)N2C1=O 3770047 ZFAAOOFRZYUAIM-PZJWPPBQSA-N 506.559 3.591 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)cc(OC)c2OC)cc1 58894574 WZGRTRHRSXDJQO-XNQWGTPPSA-N 512.344 3.671 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 150412630 ZTXSCAXVKDAAHQ-UHFFFAOYSA-N 640.148 3.714 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(C)(=O)=O)cc1 1084609309 MEJDGQLUCPAICE-UHFFFAOYSA-N 533.448 3.782 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858961316 RTSIRHTVUSPESY-UHFFFAOYSA-N 513.912 3.856 50 10 KHGE COc1ccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(C)(=O)=O 1866893286 RTHRWVNETWBJFW-QHCPKHFHSA-N 567.645 3.577 50 10 KHGE O=C(NCC[C@H]1COC[C@H]1Br)c1cc(I)ccc1Br 2111278760 CFFDKVORYWKZAD-QPUJVOFHSA-N 502.972 3.584 50 10 KHGE C[P@]1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 2177847188 LWWMOYBKRKJTOW-QGRDJGHBSA-N 509.982 3.629 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CC[C@]2(C[C@H](Br)CO2)C1 2207266954 IPURMMRCVVHLNF-HZMBPMFUSA-N 514.983 3.822 50 10 KHGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2268681302 QPYKRMKNRJTEJU-RUZDIDTESA-N 506.795 3.830 50 10 KHGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O 2328833286 GVQFASCMIVHLIJ-LBPRGKRZSA-N 509.195 3.622 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 100201958 GRPKLXMHLCMBEL-UHFFFAOYSA-N 558.454 3.856 50 10 KHGE CC1(C)OC[C@@H](NC(=O)c2ccc(I)c(Br)c2)[C@H]1Br 1910939298 GBZRVUIXQDVLRM-GHMZBOCLSA-N 502.972 3.724 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2361446480 MXZZBPPIADAWAR-CZUORRHYSA-N 511.360 3.573 50 10 KHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccc(OC)cc2)o1 103929165 ZEQMPODLVSRKGG-RWPZCVJISA-N 558.624 3.680 50 10 KHGE CCCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccccc1I 105071563 CSFFWVIAXMSWDM-FOKLQQMPSA-N 544.187 3.723 50 10 KHGE C/C(CC(=O)Nc1ccccc1Cl)=N\NC(=O)[C@@H]1C[C@H]1C(=O)N/N=C(\C)CC(=O)Nc1ccccc1Cl 105637183 ACQYPPYMXILRRC-PTCTYUNESA-N 545.427 3.971 50 10 KHGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 214216204 HTHBFWCASJUKER-ITYLOYPMSA-N 571.659 3.562 50 10 KHGE C=C[C@](O)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]2OC(C)(C)O[C@H]2[C@@H]1OC 575449052 LDOSMOMSBPPRGF-RVQLLOJVSA-N 512.719 3.762 50 10 KHGE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H]1C[C@@H](C(=O)OCCl)CN(C(=O)OCc2ccccc2)C1 675061084 XOZQFUPUGAVDQX-HMXCVIKNSA-N 510.031 3.694 50 10 KHGE Cc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)NN=Cc2cc(Cl)ccc2OCC(=O)O)c1 1081162802 YTWQFAZNIYVPEH-UHFFFAOYSA-N 507.977 3.738 50 10 KHGE CC(C)[C@H](Br)C(C)(C)CN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2365906538 DAIGXYRJDKNHGG-UWJYYQICSA-N 505.450 3.718 50 10 KHGE CCOc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101341750 TZHXJBVDKGXMKC-HZHRSRAPSA-N 536.556 3.975 50 10 KHGE CC1(CC(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)OCCO1 105132803 VTOFLBOPQLNSEL-UKXHMFKZSA-N 539.563 3.632 50 10 KHGE OCCOc1c(I)cc(I)c(CCl)c1I 196585109 NLIYJNUBQMTUKD-UHFFFAOYSA-N 564.326 3.610 50 10 KHGE C[C@H](Br)CN(CCC(C)(C)C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2288046850 DAHZVUOPAOZRMN-BTYIYWSLSA-N 505.450 3.862 50 10 KHGE Cc1cc(S(=O)(=O)NCC(F)(F)C(F)(F)CI)sc1Br 2361666883 KKPFHIYQGOMFSV-UHFFFAOYSA-N 510.110 3.803 50 10 KHGE C[C@@H](Br)COCc1cn(Cc2ccc(I)c(Br)c2)nn1 2377433473 ABNAKVKHHUFZGH-SECBINFHSA-N 514.987 3.994 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 14644342 HEEFRCLYPSAUNQ-CYBMUJFWSA-N 512.788 3.835 50 10 KHGE CC(C)c1ccc(/C=N\NC(=O)c2nonc2C(=O)N/N=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 103750848 ACYKLHILIZDQTH-UIXGLJBASA-N 536.505 3.661 50 10 KHGE C=C(C)Cn1c(SCC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)nnc1-c1ccc([N+](=O)[O-])cc1 254605955 HMXVUVNZPIHAGT-UHFFFAOYSA-N 526.575 3.698 50 10 KHGE CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O[C@@H](C)C(=O)NNC(=O)c1cc2ccccc2cc1O 504646144 CMHHRFSWQRSAFV-CSERWSASSA-N 655.704 3.641 50 10 KHGE biogenic Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083955240 VEKAKNCGTOHYIO-UHFFFAOYSA-N 582.986 3.950 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3c(F)cccc3F)cc2)cc1 1859001482 HIGUCWYXOGWFKG-UHFFFAOYSA-N 530.578 3.950 50 10 KHGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)CCN4CCOCC4)CC3)n2)c1 1868506568 ZEWUPLKNTYBPQT-UHFFFAOYSA-N 559.696 3.840 50 10 KHGE CC(C)(C)OC(=O)Nc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c1 1887511520 ZNCXHLPTRZGSGW-UHFFFAOYSA-N 557.456 3.780 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CC[C@@H](I)C1 1995285757 KIEWSFGMXMPQNU-MRVPVSSYSA-N 505.919 3.703 50 10 KHGE Cc1c(NC(=O)C(C#N)=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 2296724863 QVHRLWVUGZJEML-UHFFFAOYSA-N 536.523 3.969 50 10 KHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccccc3)c(N3CCN(Cc4ccccc4)CC3)nc12 33916541 ISDFNKDEPASROW-XHPQRKPJSA-N 518.621 3.549 50 10 KHGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2[N+](=O)[O-])cc1 40628038 MUZSLGZSZLJQCO-UHFFFAOYSA-N 519.971 3.569 50 10 KHGE COC(=O)[C@H]1O[C@@H](Br)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 72130540 KXTNIKNREDJJSO-VHJOFQCFSA-N 583.387 3.956 50 10 KHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602288 OSXNTXHUXCBTJF-OVVQPSECSA-N 523.933 3.624 50 10 KHGE COc1ccc(C=NOCC(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1OC 254506292 UDFWSTVMGZHTJH-DFXYEROKSA-N 547.656 3.780 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccccc2)cc1 254837749 PMYDZFYUHYZWEY-UHFFFAOYSA-N 545.459 3.869 50 10 KHGE Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C=NNC(=O)CCCO)(c5ccccc54)[C@@H]3C2=O)c(C)c1 1084443171 MFZODGBSOGQXHA-BDELYBFDSA-N 507.590 3.729 50 10 KHGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(OC)c1OC 1772720241 JXFZYIPMKKODDK-UHFFFAOYSA-N 564.551 3.500 50 10 KHGE O=S(=O)(CCOCCCl)Nc1c(Br)cc(Br)cc1Br 1876991884 GQKWOMGVSVZEHK-UHFFFAOYSA-N 500.434 3.971 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2361446481 MXZZBPPIADAWAR-XJKSGUPXSA-N 511.360 3.573 50 10 KHGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)NCc3ccc(CN4CCOCC4)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 215669254 MMHLVMZAJQWPKO-DHMPHNHVSA-N 572.699 3.666 50 10 KHGE biogenic COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(OC(C)=O)cc3)nc3ccccc3c2=O)cc1 254588963 KAXGNEBGZDVRQS-UHFFFAOYSA-N 516.579 3.952 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(OCC=C)c(OC)c2)cc1OC 254683154 QZSOMRDSIABKHW-UHFFFAOYSA-N 508.575 3.604 50 10 KHGE CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2c1 504491576 HVOBNXMVASDBRD-FLKMBVMJSA-N 639.705 3.935 50 10 KHGE biogenic CCCCCC(=O)N(CCCCCC(=O)[C@@H]1CC(=O)N(O)C1=O)NC(=O)CCCCCC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 514269731 NCWZQCBPNDFDKU-TWMMAJTISA-N 665.854 3.566 50 10 KHGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1Cl 725389097 YRMWKBNMTZIVCT-KRWDZBQOSA-N 508.962 3.694 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1 1867291431 MOCWWHFUTZDHNS-FQEVSTJZSA-N 504.534 3.727 50 10 KHGE Cc1cc(Br)cc2c1N(C)C(=O)C2=NNC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2296474100 SRJROUJDTJYHFJ-UHFFFAOYSA-N 562.380 3.934 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2350353033 HHKWLLZFNGWKQH-GHZYGTOFSA-N 505.703 3.581 50 10 KHGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)c1 10672059 RFNNGOPVIQLMFI-GFCCVEGCSA-N 514.829 3.994 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 14655794 GTQVCXUOXHKWKY-UHFFFAOYSA-N 501.200 3.560 50 10 KHGE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 102413342 DMBGGHGLYLMEAF-WOJGMQOQSA-N 501.546 3.936 50 10 KHGE CCOc1cc([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCCN1CCOCC1 105829719 SBDIEORNGKOQKE-MVSFAKPFSA-N 608.699 3.858 50 10 KHGE COc1ccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1084560662 MQKUITTWNQEFDF-UHFFFAOYSA-N 516.963 3.911 50 10 KHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCc2cc(OC)c(OC)cc2Br)c(OC)c1 2314808027 RJUPEVWWCJIFAE-UHFFFAOYSA-N 547.402 3.683 50 10 KHGE CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 40947742 WQNZNVGUOOCJKD-AFUMVMLFSA-N 513.645 3.703 50 10 KHGE CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)[C@@H](C)Cl)CC1)S(=O)(=O)c1ccccc1 103145819 ACVMXILBFMCZEE-HXUWFJFHSA-N 538.085 3.874 50 10 KHGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)ccc1OCc1ccccc1 254521444 TZBDXGJVPKJACY-UHFFFAOYSA-N 524.541 3.641 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccccc3OCC(=O)O)n2-c2ccccc2)cc(OC)c1OC 254808537 RKVAKYHAHUPLEG-UHFFFAOYSA-N 577.619 3.666 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2283967665 ACIPMDQBTXECPV-MQNRADLISA-N 508.330 3.537 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 2343816795 FKLCRPJYNMMSAX-IZHWHUGBSA-N 526.851 3.651 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)ccc1Br 12573498 ZYSQGASXXDRLSS-UHFFFAOYSA-N 512.429 3.990 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 13982112 TUQBKWWYIPSWSJ-UHFFFAOYSA-N 514.401 3.839 50 10 KHGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41013339 JYPSYMVZLMDYRY-GJLBFZBFSA-N 501.539 3.762 50 10 KHGE CCOc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869758 QQMXTHDKTBEORT-MNBJERMJSA-N 549.580 3.601 50 10 KHGE COc1cc(Br)c(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 101869513 AGDVZJPYPDSUDN-XDHOZWIPSA-N 559.413 3.779 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3OCC(=O)O)n2-c2ccc(OC)cc2)cc1 254492568 JYVPVJOEONRWDQ-UHFFFAOYSA-N 547.593 3.657 50 10 KHGE COC[C@](C)(CBr)N(C)C(=O)c1cc(I)ccc1Br 689310885 CPNQMRYOOIMWRD-ZDUSSCGKSA-N 504.988 3.926 50 10 KHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709798 HAJUDIYJCXUHAR-GOSISDBHSA-N 517.395 3.987 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201783250 GZILLORDEBUCEN-IINYFYTJSA-N 514.983 3.822 50 10 KHGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629881 FWHCDEJTFSWPSP-MRXNPFEDSA-N 506.397 3.811 50 10 KHGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Br)cc4)c(C)c32)c1 101613036 YKQHQUJVWUBVFW-ZXVVBBHZSA-N 539.386 3.904 50 10 KHGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(OC)c1OC 254567599 SNTVGFGOKOURGP-UHFFFAOYSA-N 504.568 3.654 50 10 KHGE COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867223900 AWWMCECLVKGPJS-RUZDIDTESA-N 529.666 4.000 50 10 KHGE Cc1cc(Br)c(N)cc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2181744704 HNEPHTZQNQHRPF-UHFFFAOYSA-N 500.506 3.524 50 10 KHGE Brc1cc(CN2C[C@H]3COC[C@@H](C2)C3Br)ccc1I 2349855583 MLNBVTKWRFGDAP-BVUQATHDSA-N 501.000 3.895 50 10 KHGE O=C(N/N=C/c1cc(Br)ccc1O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 97372102 FZBLLIZYIUDSND-LFTZEHOFSA-N 509.316 3.984 50 10 KHGE C=CCOc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OCC=C)cc2)cc1 100135328 KAJHYVULDBLDKS-UHFFFAOYSA-N 536.629 3.769 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)COc1ccccc1)[C@H]2Br 256019107 LQHFJHGMHQADQG-KKXDTOCCSA-N 553.089 3.899 50 10 KHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746606 XZNYKYCKLBMXNY-UHFFFAOYSA-N 509.906 3.695 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772746918 BKJNCQQGJJZAHS-UHFFFAOYSA-N 500.342 3.835 50 10 KHGE NC(=O)[C@H](Br)Cc1cc(Br)c(I)c(Br)c1 1931651938 XTMKCPVYGJYOSA-SSDOTTSWSA-N 511.777 3.608 50 10 KHGE Cc1sc(CN(C)C(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(B(O)O)c1C 2283942070 DMWPFVMUSIAGEB-AREMUKBSSA-N 520.460 3.566 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2366925957 UZDNVMDQFOOPTN-XMMPIXPASA-N 508.330 3.537 50 10 KHGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 100209241 GUFJPMGJUAEVRG-UHFFFAOYSA-N 559.280 3.961 50 10 KHGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)c1 217254036 XOKANTVGTPLWIK-KAMYIIQDSA-N 519.295 3.631 50 10 KHGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720382 MJZRPMHIAAUTBH-UHFFFAOYSA-N 594.577 3.509 50 10 KHGE CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)OO[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 1848437139 DQNMGBRITCFYTQ-XITCCLNHSA-N 710.836 3.574 50 10 KHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Br)cc1Br 2314795881 ZQIAPTZCIRTLHZ-UHFFFAOYSA-N 580.229 3.970 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2366922476 XFNDLWVTCVKTRA-ODCWNRFASA-N 508.330 3.537 50 10 KHGE CS(=O)(=O)SCCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 22059370 SIGYPNVVBNLVNJ-UHFFFAOYSA-N 513.549 3.990 50 10 KHGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccccc1I 33573313 TZKMXCDGIREZTI-GFCCVEGCSA-N 517.161 3.899 50 10 KHGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCC#N 58891583 FUSQFKDZMFFOQT-YNJLWJOVSA-N 507.328 3.556 50 10 KHGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2OC)cc1OC 100869801 UBUQNXGQHXMPKX-DHRITJCHSA-N 524.442 3.512 50 10 KHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 104999704 GYCTUIQQVMAFJN-RADFDNFISA-N 551.386 3.924 50 10 KHGE COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)c1 207054410 LVPPAPRCNIKYGS-ZHZULCJRSA-N 514.563 3.669 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)ccc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084454806 BKQHZFFVIJJDFC-UHFFFAOYSA-N 607.439 3.729 50 10 KHGE COC(=O)COc1cccc(C=NNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1 1084552329 WYUVSBGPWREABT-UHFFFAOYSA-N 544.029 3.854 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC(=O)O)c(I)c2)cc1 1084636910 OKKKOGCKHIYJDM-SFHVURJKSA-N 605.223 3.880 50 10 KHGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2297498241 INHBNBUORIFGFB-GOSISDBHSA-N 529.530 3.771 50 10 KHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 13621149 NWXTWXYXAUJEFU-LICLKQGHSA-N 502.596 3.995 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(Br)c1 100279624 WCOVALWKSCNBLE-RMKNXTFCSA-N 521.393 3.595 50 10 KHGE O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101515795 AJZUVLBFJZPFCE-UHFFFAOYSA-N 543.313 3.666 50 10 KHGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCn3ccnc3)c2)CC1 150448440 RFSXQMFAPIMFGA-NHFJDJAPSA-N 641.754 3.813 50 10 KHGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)CON=Cc2ccc(OC)c(OC)c2)c2ccccc21 254403345 GNDIRDZJHBMGAN-UHFFFAOYSA-N 523.634 3.781 50 10 KHGE CCOc1ccc(C=NNC(=O)c2nnn(-c3ccc([N+](=O)[O-])cc3)c2C(=O)NN=Cc2ccc(OCC)cc2)cc1 254742146 XYJHHKJXFOBNGE-UHFFFAOYSA-N 570.566 3.501 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2OCC[C@]2(CBr)C1 2296361550 RXROVKJLINJLQR-JSGCOSHPSA-N 514.983 3.680 50 10 KHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 9696141 ILLOHHNJTJMLMR-UHFFFAOYSA-N 507.410 3.536 50 10 KHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1cccc2ccccc12 12574128 RYYQKZQELBUYIN-UHFFFAOYSA-N 519.410 3.966 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 14771025 DATIEYNBYKMHAB-UHFFFAOYSA-N 521.437 3.782 50 10 KHGE CCOC(=O)C1=C(SCc2cc3c(nc2N)CCN(C)C3)OC(C#N)=C(C#N)[C@H]1c1ccc(F)cc1 164975090 UGWNEGRGEFHCHL-JOCHJYFZSA-N 505.575 3.914 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccccc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 252599405 DIMJAEHWWJWSOB-UHFFFAOYSA-N 517.991 3.711 50 10 KHGE Cc1cc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 725430400 ZPRMUCQRLYOFFR-GDLZYMKVSA-N 640.187 3.962 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084312651 BTZXLQLYUXKPGO-UHFFFAOYSA-N 544.427 3.577 50 10 KHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745244 VAEKMGKOBKBHOZ-UHFFFAOYSA-N 509.906 3.695 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1)Oc1ccc([N+](=O)[O-])cc1 1858960280 AQYVCWHFBDNFPA-UHFFFAOYSA-N 507.883 3.795 50 10 KHGE COc1cccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1c(F)cccc1Cl 1873792938 UZHFQZIJDGQXPL-KVSWJAHQSA-N 510.909 3.633 50 10 KHGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br 2297486828 ZDDJJUYAKKWSTO-UHFFFAOYSA-N 553.119 3.937 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(C)=C(C#N)C1=O 2314620814 VMPLXHHEVBYBBW-UHFFFAOYSA-N 510.550 3.711 50 10 KHGE CCN(C[C@](C)(CI)OC1C[C@H](C)S(=O)(=O)[C@@H](C)C1)C(=O)OC(C)(C)C 2352656804 MGNNKRYHCPCIPF-DEYYWGMASA-N 503.443 3.808 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1 100189098 JTACZLRTJFRXOJ-UHFFFAOYSA-N 540.436 3.603 50 10 KHGE CCOc1ccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254881168 GJLAQROBCUCCNH-IRLDBZIGSA-N 515.570 3.538 50 10 KHGE CCOc1ccccc1N(CC(=O)NN=Cc1cc2c(cc1Br)OCO2)S(=O)(=O)c1ccccc1 725423101 PLRGGENUDIGKFB-UHFFFAOYSA-N 560.426 3.922 50 10 KHGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1866130568 BGSZFBGOECIUTO-XNTDXEJSSA-N 510.797 3.669 50 10 KHGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1916333253 QOAKKILYGJCMOQ-HXUWFJFHSA-N 537.476 3.695 50 10 KHGE CCC(CBr)(CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823930 GUCVCXSAXPUBSB-UHFFFAOYSA-N 538.302 3.701 50 10 KHGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 2325903566 SDKYKIICNKROBP-UHFFFAOYSA-N 517.611 3.523 50 10 KHGE CCOc1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 3064536 KYFZRBXNPNQIFW-DFWUMYFXSA-N 502.590 3.698 50 10 KHGE biogenic Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1C 10152112 YKMPOZZVGQNBJD-CYBMUJFWSA-N 500.187 3.822 50 10 KHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1Br 100199363 UKOOVPOOUAZUHK-UHFFFAOYSA-N 545.253 3.713 50 10 KHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccc(OC)c(OCn2cccn2)c1 1084202033 VQKRFDQBLGBXMS-UHFFFAOYSA-N 546.657 3.869 50 10 KHGE Cc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(=O)(=O)N(C)C 1866633067 HZEDKCSOJOAYJV-HSZRJFAPSA-N 540.642 3.937 50 10 KHGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061567 HEHXWUAAIWGSQJ-UHFFFAOYSA-N 553.163 3.878 50 10 KHGE COc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101341741 SIFHAVNZFGBYAU-OEAKJJBVSA-N 522.529 3.585 50 10 KHGE CCOC(=O)COc1ccc(Br)cc1C=NNC(=O)CC[C@H](O)c1ccc(OCC)cc1 725430067 MFZFLZHGJXEUJO-FQEVSTJZSA-N 507.381 3.754 50 10 KHGE COc1ccccc1N(CC(=O)NN=Cc1cccc(OC2CSC2)c1)S(=O)(=O)c1ccccc1 1083852572 ZDZOPHXLQXHKBU-UHFFFAOYSA-N 511.625 3.535 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccnc(Cl)c3)cc2)cc1 1858677657 HLRDFAJDVRRMPE-UHFFFAOYSA-N 501.977 3.749 50 10 KHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)Cc4ccc(Br)cc4)c(=O)c23)cc1 1860770725 URIDGQWBEDJLHC-UHFFFAOYSA-N 511.401 3.586 50 10 KHGE CN1CCN(C2CCC(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)CC2)CC1 1867285346 XHUKMVVQUHNBMC-XAZLJPHMSA-N 523.678 3.871 50 10 KHGE CCCCCCOc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962056 PCZWUTNYFXFJMN-YADHBBJMSA-N 507.635 3.776 50 10 KHGE CC1(C)OC[C@@H](NC(=O)c2cc(I)ccc2Br)[C@@H]1Br 1911024548 DJIMGKPLYFPTLD-MNOVXSKESA-N 502.972 3.724 50 10 KHGE CCN1CC[C@@H]([C@@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2142285287 NSSNCZUHTMXWBE-RYUDHWBXSA-N 523.028 3.914 50 10 KHGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2297498235 DJHRYPRHOWNFET-FQEVSTJZSA-N 529.530 3.771 50 10 KHGE COc1ccc(C=C(C#N)C(=O)Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3s2)cc1OC 2329703221 ABPUFPKAHSAPGC-UHFFFAOYSA-N 500.602 3.793 50 10 KHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c1 9229838 BKLSIMJSIGNVRB-VGOFMYFVSA-N 503.540 3.504 50 10 KHGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100087062 IDPMLLPCHZAMMO-BQYQJAHWSA-N 541.265 3.943 50 10 KHGE CC1=C(Br)C(=O)[C@](C)(Br)[C@H](Br)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 102939781 QUVPCCJRVQBBMH-SEDDXWAVSA-N 559.030 3.893 50 10 KHGE O=C(CN(/N=C/COc1ccc2c(c1)Oc1cc(O)ccc1[C@]21OC(=O)c2ccccc21)C(=O)CN1C(=O)C=CC1=O)OCc1ccccc1[N+](=O)[O-] 150343752 ZCVMMLGSUDDYSY-CGZZIRBUSA-N 718.631 3.730 50 10 KHGE COc1cc(OC)c(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c(OC)c1 254452122 PRZZIPRRZPSTKR-UHFFFAOYSA-N 518.595 3.962 50 10 KHGE O=S(=O)(NC[C@H](Br)CBr)c1cc(Br)ccc1Br 2005149563 CKCXWLKHCZCBHO-SSDOTTSWSA-N 514.859 3.648 50 10 KHGE COc1cc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)ccc1OCC(=O)O 2295196044 NUSKQXIICWLROL-UHFFFAOYSA-N 521.551 3.814 50 10 KHGE COc1cc(C(=O)NCC(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)cc(OC)c1OC 2295869297 PELLPUJHZYLFJI-UHFFFAOYSA-N 586.395 3.567 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100203392 YCXGSIUUKHFAOR-UHFFFAOYSA-N 595.697 3.605 50 10 KHGE O[C@H](CBr)COc1c(I)cc(I)cc1I 163103955 CTZBSYVOYPMYPO-ZCFIWIBFSA-N 608.777 3.635 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C=N[C@@H]4C(N5C(=O)c6ccccc6C5=O)=NC=N[C@@H]43)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 254514230 RSALMWXDDHSQLZ-VLVZFXCZSA-N 641.874 3.804 50 10 KHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc(OC)c1OC(C)=O 254566173 FWXVVOIWHXDHPC-UHFFFAOYSA-N 532.578 3.571 50 10 KHGE CO[C@]1(CBr)CCN(C(=O)c2cc(Br)ccc2I)C1 401491076 GSZMABHZHVFNFN-ZDUSSCGKSA-N 502.972 3.680 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745188 SVYRBGBTXOIEQZ-UHFFFAOYSA-N 509.906 3.695 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2281769142 ABKVPFMNSWOWSD-UHFFFAOYSA-N 500.467 3.761 50 10 KHGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)COc4ccc(Cl)cc4Cl)c3N)CC2)c1C 54550895 HCVZHMYHXISKGI-UHFFFAOYSA-N 516.433 3.831 50 10 KHGE CC(C)(C)OC(=O)[C@]1(N(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)CSCC1=O 71261307 MSLQWUJWYHFQMQ-VWLOTQADSA-N 500.573 3.863 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccccn1)[C@@H]2Br 100935397 IBTHKOQREXXGAT-RLCCDNCMSA-N 524.051 3.528 50 10 KHGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OCC 207197704 TVCINQFDPZMLOJ-ADURVBBCSA-N 506.555 3.877 50 10 KHGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 207231438 HMINHJQTIZWXIJ-LTQVYNCTSA-N 501.539 3.762 50 10 KHGE O=C(NCCN1CCC(Br)CC1)c1ccc(I)c(Br)c1 721606030 VJCJHFZGOVPZLD-UHFFFAOYSA-N 516.015 3.643 50 10 KHGE O=C(O)c1ccccc1[C@@H]1c2cc([N+](=O)[O-])c(O)c(Br)c2O[C@@H]2[C@H](Br)C(=O)[C@@H]([N+](=O)[O-])C[C@@H]21 1307310482 BWCXYYMKYMIDAC-WFGDTNETSA-N 586.145 3.652 50 10 KHGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1ccc(I)c(Br)c1 1878686898 QIUCGLGDLVPQJN-BXKDBHETSA-N 502.972 3.584 50 10 KHGE N#CC(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)=C1Nc2ccccc2S1 2053614584 ZJVQKVMNJBHSJU-UHFFFAOYSA-N 554.433 3.693 50 10 KHGE BrCCN1CCCN(Cc2ccc(I)c(Br)c2)CC1 2349844549 GWXVASMKLQQENR-UHFFFAOYSA-N 502.032 3.956 50 10 KHGE O=C(NCC(F)(F)C(F)(F)CI)c1cc(I)ccc1F 2361678771 DQYHDVUPEFDUQP-UHFFFAOYSA-N 518.989 3.866 50 10 KHGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667394 AMBLHSNLXQRYQU-UHFFFAOYSA-N 506.422 3.998 50 10 KHGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100317626 WNRKZFXCMUUYQX-CCVNUDIWSA-N 553.524 3.686 50 10 KHGE Cc1cccc(C)c1OCC(=O)N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccc(Br)cc21 1614467461 FQFOLDDILWGACK-XVHLYKRZSA-N 604.505 3.550 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2Cl)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859005746 ZPPFFWVWSXRRAY-UHFFFAOYSA-N 521.910 3.837 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CC2(C1)OCCC[C@H]2Br 2159660070 KMDCEBCHSFAXGL-GFCCVEGCSA-N 514.983 3.822 50 10 KHGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCOCC3)c2)C1 2314476452 OVKWUWUKHHJZHJ-DHIUTWEWSA-N 559.692 3.972 50 10 KHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1Br 14654302 BSVUSFDMGMYAAU-UHFFFAOYSA-N 514.829 3.852 50 10 KHGE CCCCCN1C(=O)/C(=N\NC(=O)CCC(=O)N/N=C2/C(=O)N(CCCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 100870218 UKTZAIOJEWIGPL-CRHVBUSDSA-N 604.708 3.898 50 10 KHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113149 UJHLGENXFQTOLW-OGLMXYFKSA-N 525.359 3.875 50 10 KHGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207210112 JYPSYMVZLMDYRY-CPTCYYDTSA-N 501.539 3.762 50 10 KHGE CC(C)(C)OC(=O)NNC(=O)[C@H]1[C@H](C(=O)O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 226084382 VJZQCLUHXUVMQC-HFXNXJNXSA-N 502.993 3.705 50 10 KHGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(Br)cc2)cc1 252621126 MTKISVFMZIDSFM-UHFFFAOYSA-N 597.451 3.947 50 10 KHGE COc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1OC 1084454767 MDDMXOHDMSPEFN-UHFFFAOYSA-N 560.470 3.850 50 10 KHGE COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc2ccccc2c1 1084474227 OGINCOPQQAKVNQ-UHFFFAOYSA-N 512.404 3.972 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)Cc3c(F)cccc3F)cc2)cc1 1858679614 FDXIPTVTSNUBMB-UHFFFAOYSA-N 516.551 3.907 50 10 KHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2cc(Br)ccc2I)C1 2109025624 WFNWESXPHAYVRL-UWVGGRQHSA-N 502.972 3.678 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 2343827948 PTRANOSUJNZLHA-QFIPXVFZSA-N 526.851 3.651 50 10 KHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668668 REDJHGYJKHAZRW-UHFFFAOYSA-N 521.437 3.924 50 10 KHGE O=C(NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658812 DFJHTKCGHYXIGE-UHFFFAOYSA-N 506.325 3.914 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)CCc1ccccc1 100081390 LXNFGOZLUBRVMC-UHFFFAOYSA-N 529.254 3.554 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(Br)c2)cc1 1084004856 LMJLYESSTKNOSV-UHFFFAOYSA-N 530.444 3.841 50 10 KHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747701 SMJCHEQOKARTDI-UHFFFAOYSA-N 523.933 3.624 50 10 KHGE C[C@H](CCCCCI)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2054146703 CSHKIYLOODXDMH-OAHLLOKOSA-N 520.433 3.612 50 10 KHGE BrC[C@@H]1CC[C@H]2CN(c3ncc(I)cc3Br)C[C@@H]2O1 2273540137 ZVSSJZBQNUJSNA-PEXQALLHSA-N 501.988 3.827 50 10 KHGE COc1cc(Br)cc(C=NNC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c1O 2297620084 JLEVIWIOFCCEOO-UHFFFAOYSA-N 539.342 3.993 50 10 KHGE COc1cc(CBr)cc(-n2c(C)nc(I)c2I)n1 2317183342 JJEOLUFFQDFTJS-UHFFFAOYSA-N 533.933 3.688 50 10 KHGE CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(SC#N)c1C 11117884 AQDBPHIRGLJGQU-UHFFFAOYSA-N 511.622 3.985 50 10 KHGE N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)NCCNC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1 15906717 ICETVJXAIQGTDX-JYFOCSDGSA-N 502.424 3.636 50 10 KHGE COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)C(Cl)Cl 103041994 PNZFOISLIGLTMT-UHFFFAOYSA-N 517.475 3.924 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCC(=O)O)cc2Br)cc1 725397395 YCHBDZAFSQVJHW-LJQANCHMSA-N 523.380 3.674 50 10 KHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084528192 XDDMKAGMDJPYII-HKBQPEDESA-N 633.796 3.925 50 10 KHGE CN(C)CCCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc2C1=O 1866610463 UHTMQSULBPRICM-VWLOTQADSA-N 541.633 3.917 50 10 KHGE Brc1cc(I)cnc1N1CCC2(CC1)C[C@@H](Br)CO2 2133374059 UNFMEAHXQKFRMZ-SECBINFHSA-N 501.988 3.972 50 10 KHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NC[C@H]1CCCO1 2296846465 PAYISELTNFRUBZ-AREMUKBSSA-N 545.665 3.916 50 10 KHGE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)sc(C(C)=CC#N)c1C 2331560231 IQWHIYPMZUOQMJ-SFHVURJKSA-N 511.600 3.817 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1ccccc1Br 104768542 PZZDSGWMVZGWBY-QPJQQBGISA-N 605.110 3.894 50 10 KHGE COc1cc(C=NNC(=O)c2nc3nc(-c4ccc(Cl)cc4)cc(C)n3n2)cc(Br)c1O 252595368 CAKOSRIKMBDPQR-UHFFFAOYSA-N 515.755 3.994 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)cc(OC)c2OC)cc1 1084097629 WZGRTRHRSXDJQO-SFHVURJKSA-N 512.344 3.671 50 10 KHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743433 AHBQULFWCJFYTN-UHFFFAOYSA-N 513.348 3.797 50 10 KHGE CCN1CC[C@H]([C@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2142285288 NSSNCZUHTMXWBE-VXGBXAGGSA-N 523.028 3.914 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)c1ccccc1 2378020109 RGXDWMFMUPPLJZ-HSZRJFAPSA-N 515.698 3.987 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 13981047 AWIWFLDUMZXQRO-UHFFFAOYSA-N 500.187 3.940 50 10 KHGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079292 AUSOLYGZZUZFIR-UHFFFAOYSA-N 567.259 3.845 50 10 KHGE O=S(=O)(/N=C1/C=C/C(=N\S(=O)(=O)c2ccccc2)[C@H](Br)[C@H]1Br)c1ccccc1 101051783 DMRSNQOTECEXAV-IUCZZLLSSA-N 546.262 3.743 50 10 KHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCCN1CCOCC1 102857800 BPSYMCROMYFCCL-SILNSSARSA-N 506.404 3.657 50 10 KHGE COc1ccc(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)CC2)cc1 215668190 AXISLXOLACSPOR-SSMPMURPSA-N 558.672 3.875 50 10 KHGE biogenic CC(C)CCN1C(=O)C(=NNC(=O)CCCC(=O)NN=C2C(=O)N(CCC(C)C)c3ccccc32)c2ccccc21 254447312 ARVPKQYSVDRMRK-UHFFFAOYSA-N 558.683 3.983 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1 254512592 BDQUDRAKKINYFO-UHFFFAOYSA-N 561.620 3.989 50 10 KHGE CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)C1=O 254817476 WUEYZASNNCZPSD-UHFFFAOYSA-N 518.492 3.726 50 10 KHGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(SCC(=O)NNc2ccc(Cl)cc2)n[nH]1 1084014701 ZCSRVCPMNZDMQA-UHFFFAOYSA-N 525.042 3.700 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2ccc3c(c2)OCCO3)C(=O)Nc2ccc(SC#N)cc2)cc1 1866607515 VLUSVUKKQKYMNW-XMMPIXPASA-N 531.590 3.865 50 10 KHGE O=C(N[C@@H](C[S@@](=O)CC1CC(Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893205530 VYLPSXAFSPGXBB-LIRKENMLSA-N 506.418 3.901 50 10 KHGE Brc1cc(I)cnc1N1C[C@@H](Br)C[C@]2(CCCO2)C1 2133381179 DJVFOJOLGNQXJE-TVQRCGJNSA-N 501.988 3.972 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146696300 CRJIXSJOSSNHGJ-TVYUQYBPSA-N 514.983 3.821 50 10 KHGE C[C@@H](CBr)N1CCN(C(=O)c2cc(Br)ccc2I)CC1 2169358055 KAZYORKCKVLLTN-JTQLQIEISA-N 516.015 3.595 50 10 KHGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 13999274 BGSASNOWDCCKRZ-UHFFFAOYSA-N 503.624 3.797 50 10 KHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccccc1Br 100076239 MMCBGVHUVSRALM-UHFFFAOYSA-N 518.220 3.810 50 10 KHGE O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100132891 KWKWOZGMPMQVPN-UHFFFAOYSA-N 546.649 3.921 50 10 KHGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207412 IMEQEGNGIALHMX-UHFFFAOYSA-N 558.454 3.794 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 100306450 SWNQNZTXKPLPST-INIZCTEOSA-N 528.197 3.609 50 10 KHGE CCOc1cc(/C=C(\C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)cc(Br)c1O 103577882 NMDNPSVPDXEKDQ-NTUHNPAUSA-N 536.404 3.957 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084030657 KZDRJLFTMIVRGT-UHFFFAOYSA-N 566.514 3.976 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084505382 HLIPDIGBNHENQJ-UHFFFAOYSA-N 592.468 3.829 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314618873 VWIFQIZDTOCFCQ-XMMPIXPASA-N 571.659 3.561 50 10 KHGE O=C(NNC(=O)c1ccccc1OCCOc1ccccc1)c1ccccc1I 14040538 PQHDHEHQDIRIIJ-UHFFFAOYSA-N 502.308 3.824 50 10 KHGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40645771 XHPWOWDTODRITE-UHFFFAOYSA-N 501.297 3.825 50 10 KHGE Cc1cc(/C=N/NC(=O)COc2cccc(Br)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59250288 FKMHYVLFFLMLHB-OPEKNORGSA-N 514.332 3.782 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 101340985 LAMWXHBJJVKWTG-LPYMAVHISA-N 514.513 3.842 50 10 KHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(C)cc3)cc2OCC)cc1 254402684 IDISLQBPMYTGFE-UHFFFAOYSA-N 503.555 3.892 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C=N[C@@H]4C(N5C(=O)c6ccccc6C5=O)=NC=N[C@@H]43)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 254514233 RSALMWXDDHSQLZ-YZJUCVRQSA-N 641.874 3.804 50 10 KHGE O=C1[C@H](Br)C[C@@H]2Nc3cc(Br)c(O)c(Br)c3O[C@H]2[C@H]1Br 1307331917 GUZLXPLSTAEBLP-RVQIJJJHSA-N 534.824 3.959 50 10 KHGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1cc(I)ccc1Br 2279404792 DBKVAHSGTFHBRK-GXSJLCMTSA-N 516.999 3.974 50 10 KHGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNC1CCN(C(=O)OC(C)(C)C)CC1 2325417793 KQBYGWILSJTGAI-UHFFFAOYSA-N 510.376 3.935 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC2(CC2)N(C(=O)OC(C)(C)C)C1 2350351735 AHCOCJAKPAGCBI-QFIPXVFZSA-N 505.703 3.869 50 10 KHGE NNC(=O)CCCCCCOc1c(I)cc(Cl)cc1I 2363173189 GFYAXYHVCSWUGB-UHFFFAOYSA-N 522.552 3.868 50 10 KHGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1 100139311 PSAKYSXISGRZRV-UHFFFAOYSA-N 546.624 3.906 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601503 YYQXLSMLSVMPIS-YZSQISJMSA-N 509.906 3.695 50 10 KHGE Cc1cc(Cl)cc2c1NC(=O)/C2=N/NC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 105519702 YPQNUSPGESXQIK-LCIIEAPSSA-N 546.020 3.666 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1Cl 1083988403 VBEOGDYTQRKNBK-UHFFFAOYSA-N 532.962 3.611 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746031 OMEINZHIDIGFLM-UHFFFAOYSA-N 554.357 3.804 50 10 KHGE COCCn1cc(C=NNC(=O)COc2ccc(C(=O)NCc3ccccc3)cc2)c2cc(OC)ccc21 2321697737 XOOAZFWUJHCIKR-UHFFFAOYSA-N 514.582 3.755 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)cc1 12730537 ZZLWHDGJJXIKTO-UHFFFAOYSA-N 511.625 3.535 50 10 KHGE aggregator Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c(c2)OCO3)c2cccc3cccnc23)cc1 16675718 DHTVEDNTAIGMAG-UHFFFAOYSA-N 502.552 3.618 50 10 KHGE CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959212 VQETVPNXKMZOCZ-LQKURTRISA-N 508.527 3.859 50 10 KHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100047948 YJQXJCFGYXKRRO-VXGBXAGGSA-N 580.252 3.610 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)ccc1Br 100158322 KNLGNDAEEJZIDM-UHFFFAOYSA-N 558.454 3.930 50 10 KHGE COc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100293893 MSFDXUCFFXKDEI-NBZOHKLQSA-N 564.161 3.868 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc4ccccc4n3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920646 XFMJRLJCUHDBBO-UABWPREISA-N 573.690 3.663 50 10 KHGE biogenic O[C@@H](CBr)COc1c(I)cc(Cl)cc1I 379904650 JOYJSNNMBWSLDG-LURJTMIESA-N 517.326 3.684 50 10 KHGE Nn1c(SCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nnc1-c1ccccc1Br 1084005545 PZZDSGWMVZGWBY-UHFFFAOYSA-N 605.110 3.894 50 10 KHGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686774 ALAKFKXMIPBPLT-AREMUKBSSA-N 533.604 3.571 50 10 KHGE CN(C)CCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866610589 BOZFHIIOGXHNTQ-SANMLTNESA-N 555.660 3.787 50 10 KHGE O=C=NC1(c2cc(I)cc(I)c2I)CC1 1951523655 HIYWOYHSUGCREK-UHFFFAOYSA-N 536.876 3.825 50 10 KHGE C[C@H](Br)C[C@H]1CCCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2164503036 SMAYKWSEJOXWJK-GCKMJXCFSA-N 503.434 3.759 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]21 2349641965 ISVOPJJRQGERHQ-DMPWYTOCSA-N 505.703 3.725 50 10 KHGE C[C@H]1C[C@H](O[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)S1(=O)=O 2352654922 FLPIHSPCMPSCNW-KRXQYRFLSA-N 501.427 3.562 50 10 KHGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c(Br)c1 13977989 RNVIWMFODWAQNG-UHFFFAOYSA-N 506.578 3.779 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 13982257 GXDAIFRZCYTFLL-UHFFFAOYSA-N 511.401 3.959 50 10 KHGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645990 RMPXQCODABSWKW-UHFFFAOYSA-N 508.438 3.761 50 10 KHGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)n1 20836773 YBNABENZQRSXSZ-BRJLIKDPSA-N 516.027 3.769 50 10 KHGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 101334294 RXMPIECLYQMOCI-CHZJBYNNSA-N 585.686 3.951 50 10 KHGE Cc1ccc(OCC(=O)O)c(/C=N\NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)c1 675029459 AEMGZQLODRBQOG-KSEXSDGBSA-N 507.977 3.738 50 10 KHGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1cccc(Br)c1 1084511472 GMUHDQGDYJSOLY-UHFFFAOYSA-N 548.390 3.705 50 10 KHGE COCCN(C[C@@H](C)Br)C(=O)c1ccc(I)c(Br)c1 2272441612 LUOSWVYLQDIVOP-SECBINFHSA-N 504.988 3.926 50 10 KHGE CC(C)(C)C1CC(CBr)(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2289839519 FDQJDLHZNQVVCY-NAXCRDPKSA-N 503.434 3.520 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643370 GSTYYTSSOSICOA-MRXNPFEDSA-N 507.381 3.626 50 10 KHGE COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)CCCCCCl)CC1 23316275 WHDNPRUAUKAHGV-UHFFFAOYSA-N 526.074 3.803 50 10 KHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] 101472846 DNEPBHQIPGJZGX-UHFFFAOYSA-N 568.594 3.890 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214314468 SBCQHCBPKDSUEB-VEILYXNESA-N 609.664 3.946 50 10 KHGE CC(C)COc1ccc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 254441313 YCSNOTQZCODBSX-UHFFFAOYSA-N 510.572 3.975 50 10 KHGE N#C/C(=C/c1cc(I)c(O)c(I)c1)C(=O)NC1CCCCC1 725436938 QFCFWZQDHGGPTA-WDZFZDKYSA-N 522.124 3.957 50 10 KHGE CCOc1cc(C=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)ccc1O 1084418284 AKEKEMQIQKCBDK-UHFFFAOYSA-N 519.425 3.548 50 10 KHGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)c1 1084499149 GPOQJZNCKQAQIW-UHFFFAOYSA-N 536.404 3.713 50 10 KHGE Cc1c(I)c(C)c(B(O)O)c(C)c1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887534933 VGZARAPOXYIXJK-UHFFFAOYSA-N 610.301 3.963 50 10 KHGE C[P@@]1(=O)C[C@H](NC(=O)c2cc(Br)ccc2I)[C@@H](Br)C1 2121338877 WCRYVJQTHJCOGY-KKRWKGTOSA-N 520.927 3.922 50 10 KHGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 2295483077 YQHDPODHVHATBE-UHFFFAOYSA-N 517.542 3.686 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC12CC2 2349643273 LPDIVVAGRCHGKR-QFIPXVFZSA-N 505.703 3.727 50 10 KHGE COc1cc(NS(=O)(=O)c2ccc(N/C=C(\C=O)c3nc4cc(Cl)ccc4o3)cc2)nc(OC)n1 16215085 FBYUIEROWJGGFE-ACCUITESSA-N 515.935 3.741 50 10 KHGE C/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccc2c(c1)OCO2 58989966 QFCDQSFPCGZGRB-CFRMEGHHSA-N 517.409 3.563 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1 100078669 BCHNCJZQEOHVNH-UHFFFAOYSA-N 565.671 3.653 50 10 KHGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S/C1=N/NC(=O)Cc1ccccc1 100844258 GPCDAGJTWZKCJD-VKWSUVGGSA-N 501.406 3.538 50 10 KHGE COc1ccc(C=NNC(=O)CSc2nnc(C)s2)cc1Cn1nc(C)c(Br)c1C 263628232 YGAHUDIFFQJFDL-UHFFFAOYSA-N 509.455 3.722 50 10 KHGE O=C(NCC1(CBr)CCOCC1)c1cc(I)ccc1Br 700911090 JQSUXVUXJPQKIG-UHFFFAOYSA-N 516.999 3.975 50 10 KHGE CC(=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1N)c1ccc(Br)cc1 1083862910 QZZKULWJYRSSGL-UHFFFAOYSA-N 501.454 3.952 50 10 KHGE O=C(CCCO)NN=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 1084394202 OKRHOMGZHHXVKJ-NSIFAMOJSA-N 558.432 3.874 50 10 KHGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1084641212 YHABLKWUURIKEP-UHFFFAOYSA-N 527.574 3.731 50 10 KHGE Cn1cc(I)c(C(=O)Oc2cccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2)n1 1084642543 DTVCJCVGWSNZPI-UHFFFAOYSA-N 580.382 3.630 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCCN1CCOCC1 1865687584 VLYHHFLEFBAVMO-MUUNZHRXSA-N 529.641 3.794 50 10 KHGE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1 1867198353 RKKZMNGMHADROD-IBGZPJMESA-N 515.389 3.644 50 10 KHGE CC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867249463 AAMDCLWQNQEHCP-QZTJIDSGSA-N 514.409 3.591 50 10 KHGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NN=C1CN(C(=O)OCc2ccccc2)C1 2033817548 QYXNTXANGDBUOW-UHFFFAOYSA-N 525.653 3.908 50 10 KHGE C[C@H](Cl)COCc1cn(-c2cc(I)cc(I)c2)nn1 2278375764 JZZGURAHDJGNGM-QMMMGPOBSA-N 503.509 3.620 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cc(=O)n2nc(C)sc2n1 2297350775 RLFUSTPUSDUOCP-UHFFFAOYSA-N 517.567 3.991 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC2(CCN(C(=O)OC(C)(C)C)C2)C1 2349642683 QSDYLKIKGNCZFA-UHFFFAOYSA-N 505.703 3.727 50 10 KHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCCC)cc2)cc1 14029196 DMFYYLZYFALIDW-UHFFFAOYSA-N 515.632 3.927 50 10 KHGE O=C(NNC(=O)c1csc(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1)c1ccccn1 35190118 JBHKQRKTNITFBP-UHFFFAOYSA-N 503.506 3.652 50 10 KHGE COc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)cc(I)c1O 101965474 JIFBLAXVWHANJZ-ODCIPOBUSA-N 533.160 3.914 50 10 KHGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 206827261 ZRHPPKFKLLYGDL-SXGWCWSVSA-N 502.596 3.995 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OCC)cc3)cc2)cc1 254519288 GPHUQCZMDLRSRG-UHFFFAOYSA-N 503.555 3.973 50 10 KHGE C[P@]1(=O)C[C@H](Br)[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 2177847182 LWWMOYBKRKJTOW-DQPNGWRMSA-N 509.982 3.629 50 10 KHGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1ccc(I)c(Br)c1 2206496612 AURDCKUEXOHJMX-VXGBXAGGSA-N 514.983 3.869 50 10 KHGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611751 XZCQTBFYMUAIIK-VUTHCHCSSA-N 537.444 3.583 50 10 KHGE COc1cccc(C=NNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1OC 252629466 UGKKUVSYXMUSSZ-UHFFFAOYSA-N 546.443 3.808 50 10 KHGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 725415349 ZWLFVZQGHXDGAB-SFHVURJKSA-N 589.224 3.960 50 10 KHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747803 RGTPVHBWVUMBEA-UHFFFAOYSA-N 526.365 3.554 50 10 KHGE CC(C)[C@@H](NC(=O)CCOCCNC(=O)OCC1[C@@H]2CCC#CCC[C@@H]12)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2049382289 AGARCEMRBHGQGE-YGROZJOWSA-N 835.912 3.896 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCCCCCI 2316824563 NDUVUASSZDOKAZ-UHFFFAOYSA-N 520.433 3.758 50 10 KHGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325307176 MNBXVRRUWALRGV-UHFFFAOYSA-N 547.033 3.776 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)ccc1Br 14037266 KVRBABSFIHMTMW-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCCc2ccccc2)c(Br)c1 100313628 DOKUHWPZDIXVCH-QFIPXVFZSA-N 536.426 3.880 50 10 KHGE COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2I)ccc1OCc1ccccc1 105052986 VHEVAANTQDCMEZ-MZJWZYIUSA-N 543.361 3.759 50 10 KHGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 2314476370 NMAGBQRUEIWHQY-VWLOTQADSA-N 595.747 3.560 50 10 KHGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(OC)c1OC 2331330111 WVIMNFGPVKFFEU-UHFFFAOYSA-N 509.540 3.830 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)cc3)cc2OC)cc1 254839157 SEBOBULXEIRXQX-UHFFFAOYSA-N 519.554 3.592 50 10 KHGE CCCCCC(=O)N(CCCCCC(=O)[C@H]1CC(=O)N(O)C1=O)NC(=O)CCCCCC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 514269732 NCWZQCBPNDFDKU-XDCOUKQESA-N 665.854 3.566 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)c(B(O)O)cc1C 2283986074 OBPNGAHTBCFJER-XGCWNURASA-N 500.404 3.875 50 10 KHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14039111 IAYFFXZYMIVXNR-UHFFFAOYSA-N 500.802 3.604 50 10 KHGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212858 WYZBXJUEZYOCMW-UHFFFAOYSA-N 573.425 3.693 50 10 KHGE CCN1CCN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)CC1 100921955 BCGYXFXPGICFBS-KNXALSJPSA-N 501.101 3.836 50 10 KHGE CC1(CC(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)OCCO1 102522422 VTOFLBOPQLNSEL-PKECXXQMSA-N 539.563 3.632 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1cccnc1 104768889 YBOARXAUHOOMOM-UVHMKAGCSA-N 538.431 3.638 50 10 KHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1OCc1ccccc1)c1ccccc1Br 1084370068 PAHQLERPQBIOSJ-UHFFFAOYSA-N 516.417 3.944 50 10 KHGE CCOC(=O)COc1cc(Br)c(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 1084588529 VJYOSNHPRAUUGY-LJQANCHMSA-N 507.381 3.754 50 10 KHGE C[C@@H]([C@@H](Br)c1cc(Br)ccc1I)S(=O)(=O)N(C)C 2029075444 QXNYOSJVNQNGEA-WRWORJQWSA-N 511.017 3.770 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2COC[C@@H](C1)C2Br 2167776365 GFQYUSMPABPPON-HWYHXSKPSA-N 514.983 3.536 50 10 KHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 9826213 KUUUEBVQANSDNJ-CYBMUJFWSA-N 500.404 3.512 50 10 KHGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14031863 VIGNZQWPXWEQBN-FQEVSTJZSA-N 521.639 3.975 50 10 KHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2cc(OC)c(OC)cc2Br)c(OC)c1 101869490 RJUPEVWWCJIFAE-WOJGMQOQSA-N 547.402 3.683 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C(\C)c1cccnc1 105151532 KBNZFSGYHPOKJL-MFKUBSTISA-N 547.426 3.708 50 10 KHGE Cc1ccc(OCC(=O)O)c(C=NNC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2cccs2)c1 1081159488 AITRITDSZPVJCS-UHFFFAOYSA-N 507.977 3.738 50 10 KHGE C=CCn1cc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3)n2CC=C)cn1 1084270198 KNTHHPNIKMQICW-MRXNPFEDSA-N 576.468 3.694 50 10 KHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(OCc5ccccc5)cc4)c(=O)c23)C1 1860769754 GVZAWVWHPOJYNM-QGZVFWFLSA-N 502.596 3.623 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866870965 AGBRSZNCRQMTEW-QFQXNSOFSA-N 542.617 3.904 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867291202 JKWNNAVHULXGLO-JOCHJYFZSA-N 562.570 3.652 50 10 KHGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1ccc(I)c(Br)c1 2195507441 VYQYLFUPFXFCLV-MWLCHTKSSA-N 516.999 3.974 50 10 KHGE O=C(C=Cc1cccc(OCc2ccccc2)c1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 2325888178 BEPVVJKWIQDXKB-UHFFFAOYSA-N 514.607 3.777 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCC#N)c(I)c2)cc1 58893959 UBCONQHUEWBJOI-QCYAWUEASA-N 507.328 3.556 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 224080771 KHVLHRYSOPSVJR-FUOQNJDISA-N 509.756 3.623 50 10 KHGE CC(C)OC(=O)C1=c2sc(=Cc3ccc(Br)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(Br)cc1 252673009 QQIHMMHEUAOSEM-HXUWFJFHSA-N 601.320 3.814 50 10 KHGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(OC)c1OC 254480405 OBTLLXYSPPTQMN-PUYTUNHBSA-N 502.571 3.700 50 10 KHGE CC(C)(C)NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084443040 DIYLWKIIRMRUIK-UHFFFAOYSA-N 531.034 3.689 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](c2cccnc2)N(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1867278752 LLVUAEWMZMXLQC-DQEYMECFSA-N 517.611 3.549 50 10 KHGE CN1CC[C@@H]([C@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2029051868 PIXWHNLGCSXTMF-WDEREUQCSA-N 509.001 3.524 50 10 KHGE CCOC1(CBr)CN(C(=O)c2ccc(I)c(Br)c2)C1 2116385105 UTBDFOIREPTHQA-UHFFFAOYSA-N 502.972 3.680 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cc(B(O)O)cs1 2268646709 LCDFLKJMUWCZPW-TZPNTHKFSA-N 506.433 3.559 50 10 KHGE CN(c1ccc(C(=O)NN=Cc2cc3c(cc2Br)OCO3)cc1)S(=O)(=O)c1ccccc1 2297709220 OMAPDRFUVUCVEL-UHFFFAOYSA-N 516.373 3.767 50 10 KHGE CCN(C[C@](C)(CI)OC1C[C@@H](C)S(=O)(=O)[C@H](C)C1)C(=O)OC(C)(C)C 2352656809 MGNNKRYHCPCIPF-LBTNJELSSA-N 503.443 3.808 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CCBr)CCSCC1 2364204670 GBPWMCCKXWUPQG-UHFFFAOYSA-N 517.511 3.813 50 10 KHGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665563 ZCAXRJXADMELFW-UHFFFAOYSA-N 514.332 3.819 50 10 KHGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 101696454 ZXIPHWXIMBZGIE-XDJHFCHBSA-N 548.552 3.799 50 10 KHGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NNC(=O)c2cc(OC)cc(OC)c2)cc1 205964106 OVGLDHMHNZVCOZ-LFVJCYFKSA-N 531.525 3.580 50 10 KHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254833455 QRPJGMYZGAIHDS-UHFFFAOYSA-N 519.554 3.592 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748213 OTLUNYDHABKLKO-UHFFFAOYSA-N 554.903 3.603 50 10 KHGE ClCc1nc2cc(I)ccc2n1CCn1cc(I)cn1 2153502562 VYBGSQHJPZDGEA-UHFFFAOYSA-N 512.520 3.881 50 10 KHGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C(C)=C(C#N)C1=O 2314620728 TWUDWXAFWYQBTD-UHFFFAOYSA-N 525.521 3.993 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 100082302 AGYCEYPHFTWOCP-UHFFFAOYSA-N 541.855 3.539 50 10 KHGE CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 102991332 LTKQPOALIUKHTL-MAOGVLORSA-N 520.611 3.807 50 10 KHGE C=CCn1nc(C)c(/C=N/NC(=O)CSc2nnc(CNc3ccc(I)cc3)n2CC=C)c1C 253573029 QXRVGGOUJIBCHQ-LGJNPRDNSA-N 590.495 3.923 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C=N[C@H]4C(N5C(=O)c6ccccc6C5=O)=NC=N[C@@H]43)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 1074680594 RSALMWXDDHSQLZ-FXBNSDBLSA-N 641.874 3.804 50 10 KHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)cc1 1083941360 GZSJODRARIXNLM-SSEXGKCCSA-N 619.769 3.617 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 1866863549 XLJUEQSZMSXUPW-DVECYGJZSA-N 500.580 3.684 50 10 KHGE Cc1cc(Br)c(S(=O)(=O)NC[C@H](Br)CBr)cc1Br 2052802878 KNCCJWBGVQSLKY-SSDOTTSWSA-N 528.886 3.957 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2269558717 MWVHSNFKOYQVRH-RUZDIDTESA-N 506.795 3.912 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2282405278 SZTIWDSGBYHOJY-UHFFFAOYSA-N 500.467 3.761 50 10 KHGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OC)c1 2293198113 PNABTZMHLCQKTK-RUZDIDTESA-N 535.556 3.717 50 10 KHGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)Nc3c(C)ccc(Cl)c32)c1 96835942 OUJNUWZDGMKPKK-XSFVSMFZSA-N 518.957 3.909 50 10 KHGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 214295625 ZQNWJSRQDZHJHF-ITYLOYPMSA-N 573.675 3.808 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(OCC=C)c(OC)c2)cc1OC 254519319 ICAVDZYYBGEQKB-UHFFFAOYSA-N 522.602 3.994 50 10 KHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743898 NHVPDJGFOFEDKQ-UHFFFAOYSA-N 501.425 3.987 50 10 KHGE COc1ccc(N2C(=O)C(=CNNC(=O)COc3ccc(C)c(C)c3)c3ccccc3C2=O)cc1OC 2042445473 PSGXSSJZMSPWNZ-UHFFFAOYSA-N 501.539 3.548 50 10 KHGE O=C(NNC=C1C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccccc21)c1cc2c(s1)CCCC2 2042456018 AUGBGYUGVWYFNU-UHFFFAOYSA-N 501.564 3.814 50 10 KHGE CCOC1(CBr)CN(C(=O)c2cc(I)ccc2Br)C1 2116388016 HJSMEKWUKNLINN-UHFFFAOYSA-N 502.972 3.680 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178080902 ANLXKUURZBHOMU-QWRKXWFKSA-N 514.983 3.536 50 10 KHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)c1 2313861585 BKLSIMJSIGNVRB-UHFFFAOYSA-N 503.540 3.504 50 10 KHGE COC[C@]1(CBr)C=CCN1C(=O)c1ccc(I)c(Br)c1 2379832403 HGFMWZZLSHDIDT-CQSZACIVSA-N 514.983 3.846 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1cccc(Cl)c1 100118592 YUUTXYKAHXXTSX-UHFFFAOYSA-N 521.618 3.580 50 10 KHGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100279560 UDRLKQZHIIBXML-DHZHZOJOSA-N 529.372 3.625 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341493 GGJZOGVMGDRXRV-YZSQISJMSA-N 540.576 3.720 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603649 BKJNCQQGJJZAHS-WPWMEQJKSA-N 500.342 3.835 50 10 KHGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3Br)c(C)c21 101615699 QLSQNGCWCPVADQ-KOEQRZSOSA-N 513.348 3.797 50 10 KHGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2268679640 OXJOMLLFUKQTJW-CRICUBBOSA-N 506.433 3.511 50 10 KHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCCN1CCOCC1 2296728682 BPSYMCROMYFCCL-UHFFFAOYSA-N 506.404 3.657 50 10 KHGE CO[C@@H]1CN(Cc2ccc(I)c(Br)c2)[C@@H](CBr)[C@H]1OC 2377355571 UQJDHJIRUPRUDN-BFHYXJOUSA-N 519.015 3.663 50 10 KHGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1Br 100087303 VHRZNFKBBQWEAL-UHFFFAOYSA-N 535.645 3.888 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)ccc2OC)S(=O)(=O)c2ccccc2)c(OC)c1 1084111899 KUZFFGREGYZKRA-UHFFFAOYSA-N 562.442 3.821 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772743685 IPRZHEDZRQYMCT-UHFFFAOYSA-N 539.386 3.904 50 10 KHGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)c1cc(I)cc(I)c1O 1887823335 MGSXMRHWUXEENW-OCAPTIKFSA-N 549.972 3.847 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cscc1B(O)O 2268647437 PACGLCSEUBVIGX-QLODZENZSA-N 506.433 3.559 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1 2314646810 PEEYDNAWZGTUIP-MHZLTWQESA-N 697.795 3.715 50 10 KHGE O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 40571090 IWUJAWFQNYVRRZ-MOCCXMHUSA-N 515.589 3.633 50 10 KHGE C=CCn1cc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3)n2CC=C)cn1 253567838 KNTHHPNIKMQICW-YEEYNWEUSA-N 576.468 3.694 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccccc2)cc1OC 1083859528 OBBVIMVXUNUIPL-UHFFFAOYSA-N 536.404 3.713 50 10 KHGE O=C(CCl)Cc1cc(I)cc(I)c1I 1952712040 WEKAJRZOJQUEFJ-UHFFFAOYSA-N 546.311 3.851 50 10 KHGE CCN1CC[C@@H]([C@@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2089530384 GNABKPILJYGIQE-RYUDHWBXSA-N 523.028 3.914 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2350363793 QLAIDSDPKIZCCP-OYHNWAKOSA-N 507.719 3.971 50 10 KHGE COc1c(I)cc(I)cc1/C=N\NC(=O)OC(C)(C)C 33923718 XERZECGYCIGVAZ-APSNUPSMSA-N 502.090 3.763 50 10 KHGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 100190961 AMXCKYUALHJCGF-UHFFFAOYSA-N 566.474 3.765 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 100306459 OEUXPOJISMOCDF-KRWDZBQOSA-N 542.224 3.918 50 10 KHGE CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869715 SSAKJTLFCWJSPM-FJEPWZHXSA-N 584.423 3.964 50 10 KHGE NNC(=O)c1ccc(COc2c(I)cc(I)cc2I)s1 154936160 YBQGKPFBMCBNHW-UHFFFAOYSA-N 625.995 3.744 50 10 KHGE O=C(NNC(=O)c1ccccc1O)Nc1ccc(Cc2ccc(NC(=O)NNC(=O)c3ccccc3O)cc2)cc1 198753477 VTJNATFKVWNHHY-UHFFFAOYSA-N 554.563 3.622 50 10 KHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cc2c(cc1Br)OCO2 252627458 RUSPHXDRJVEPGQ-UHFFFAOYSA-N 530.400 3.519 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253578976 ZAGZKZKIVJDNLQ-GMJSKMFWSA-N 510.536 3.524 50 10 KHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3C)cc2OCC)cc1 254508397 LSWYTKMIJPSQMP-UHFFFAOYSA-N 503.555 3.892 50 10 KHGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNS(=O)(=O)c2ccccc2)cc1 254757016 SIPBSDYYWLQYAT-UHFFFAOYSA-N 517.611 3.757 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C=Cc1ccc(F)cc1 2313617230 QZBMIWJLAXKGST-UHFFFAOYSA-N 545.228 3.773 50 10 KHGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C(F)(F)F)c(B(O)O)c1 2370122641 MDIIWFDNDOPGTM-UHFFFAOYSA-N 512.293 3.641 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314618437 NOMRKNNAROJPGT-UHFFFAOYSA-N 578.654 3.977 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1I 100136918 QVSIVPBSOVAUBL-UHFFFAOYSA-N 541.411 3.674 50 10 KHGE O=C(COc1ccccc1)NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] 101472860 DHSONIFJRPHRBK-UHFFFAOYSA-N 539.596 3.819 50 10 KHGE CC(C)(C)OC(=O)[C@@]1(N(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)CSCC1=O 206914871 MSLQWUJWYHFQMQ-RUZDIDTESA-N 500.573 3.863 50 10 KHGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)cc3)cc2OC)cc1 254708527 LIBFTJPDKVRPHZ-UHFFFAOYSA-N 533.581 3.982 50 10 KHGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccc(Cl)cc1Cl 1084044338 REWTWHMSGNGPPG-UHFFFAOYSA-N 507.333 3.770 50 10 KHGE CCCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866810113 WQZVZVKICIEGGV-JOCHJYFZSA-N 516.645 3.696 50 10 KHGE C[C@@H](Br)[C@H]1CN(C(=O)c2cc(Br)ccc2I)CCO1 2117530026 DUVDDSCUFLYQKT-PRHODGIISA-N 502.972 3.678 50 10 KHGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285033003 YZMUXDNSTXUOHY-MHZLTWQESA-N 500.404 3.875 50 10 KHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccco3)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 2296545927 BFJHQJNNNDNYCT-UHFFFAOYSA-N 529.000 3.799 50 10 KHGE N#CC(=CNc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc(Br)cc2)cs1 2296763915 DNTPDYIYDSKTLL-UHFFFAOYSA-N 504.391 3.906 50 10 KHGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])cc1 40628024 XGFXKZARDXCKJE-UHFFFAOYSA-N 519.971 3.569 50 10 KHGE CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCCO)(c5ccccc54)[C@H]3C2=O)cc1 59382412 WQLZVODARQYNNY-VKVUBDOKSA-N 523.589 3.511 50 10 KHGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 100278278 DRVDQEGVVQETQV-UHFFFAOYSA-N 532.622 3.972 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 205371667 KHVLHRYSOPSVJR-ZBPHCFQXSA-N 509.756 3.623 50 10 KHGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 214226649 OSYKUGIICBLNMF-DIBXZPPDSA-N 585.686 3.953 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 1084267799 PNTXOWUWPXVMOE-UHFFFAOYSA-N 553.637 3.761 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2207259159 KEXYNAOEYUMFNP-DYLAAIIWSA-N 514.983 3.536 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC(=O)OC)c(OCC)c2)cc1 1084526523 XAZHWFZKVVDWTH-HXUWFJFHSA-N 537.407 3.762 50 10 KHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)cc1 1084537549 NUOIERBEOPWGSN-UHFFFAOYSA-N 502.424 3.951 50 10 KHGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865687493 SHZVZFMZGATVNE-SANMLTNESA-N 545.640 3.906 50 10 KHGE O=C(NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293430094 SJBIYEIENHNVBJ-UHFFFAOYSA-N 508.874 3.604 50 10 KHGE CCOC(=O)COc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313567540 LGGIFLTYZGDXJX-UHFFFAOYSA-N 589.430 3.888 50 10 KHGE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NNC(=O)C(c1ccccc1)c1ccccc1 2313683062 QRICJRBCUGQTOP-UHFFFAOYSA-N 527.537 3.587 50 10 KHGE Cn1cc(I)c(C(=O)Oc2cccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2)n1 100268681 DTVCJCVGWSNZPI-LQKURTRISA-N 580.382 3.630 50 10 KHGE CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 118919451 DJHCCTTVDRAMEH-ZGDDTELJSA-N 521.050 3.943 50 10 KHGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc(Br)ccc3O)c3ccccc32)cc1 252462459 SKLOWEVLEQCOIS-UHFFFAOYSA-N 507.344 3.583 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2F)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858957719 MZVHKRQHAXWFPS-UHFFFAOYSA-N 527.408 3.559 50 10 KHGE O=C(NN=Cc1cc(I)ccc1O)C(=Cc1cccs1)NC(=O)c1ccccc1 2296472978 CXDIYDGOXXYTLK-UHFFFAOYSA-N 517.348 3.980 50 10 KHGE CC(=O)n1c(SCC(=O)NNC(=O)c2ccc(NC(=O)CSc3nc4ccccc4n3C(C)=O)cc2)nc2ccccc21 105528021 WFDPBJHHVJZXGJ-UHFFFAOYSA-N 615.697 3.990 50 10 KHGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OC)[C@H]1OCc1ccccc1 206614742 ZXDTXTMEFLROMN-PCPRHZMTSA-N 536.741 3.896 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725437942 TXSUHDXFUPYNHA-UHFFFAOYSA-N 527.002 3.987 50 10 KHGE O=C(COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 1084324307 RTQUFEXQLMZVBQ-UHFFFAOYSA-N 584.698 3.766 50 10 KHGE C/C(=C\C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1867073615 AZBIXTVFCOPVRH-ABFIKHOGSA-N 564.689 3.985 50 10 KHGE Cc1cc(OCC(=O)N/N=C/c2ccc(Cl)cc2)nc(SCC(=O)N/N=C/c2ccc(Cl)cc2)n1 3047830 VJCBHIFIDKMSFL-LYXAAFRTSA-N 531.425 3.863 50 10 KHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 12489427 CYNXRTOWYLOPCY-IZZDOVSWSA-N 506.422 3.695 50 10 KHGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 100200589 LNOBTAHKWUHUBX-XFFZJAGNSA-N 550.475 3.878 50 10 KHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1 254871590 ZSPNWFOTUZXOER-UHFFFAOYSA-N 503.555 3.973 50 10 KHGE C[C@@H](Br)Cc1cn(-c2cc(I)cc(I)c2)nn1 709274291 XBSUWDFTJGWKQC-SSDOTTSWSA-N 517.934 3.802 50 10 KHGE CC(=NNC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc(Br)cc1 1084175219 BJPHKOYCHFESPL-UHFFFAOYSA-N 563.394 3.651 50 10 KHGE O=C(NN=Cc1cc(Br)c(N2CCCC2)o1)c1ccc(I)c(O)c1 1084322319 PQCBJYPLTZURCK-UHFFFAOYSA-N 504.122 3.716 50 10 KHGE CCOc1cc(C=NNC(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720831 ZATLUTOLONSIAY-UHFFFAOYSA-N 609.632 3.618 50 10 KHGE Cc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(=O)(=O)N(C)C 1866633403 MGUZQYSZRPLWJT-QHCPKHFHSA-N 538.651 3.504 50 10 KHGE C[C@H]([C@@H](Br)c1cc(I)ccc1Br)S(=O)(=O)N(C)C 2029076333 YLFLREZEKBJEEY-RDDDGLTNSA-N 511.017 3.770 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)c(Br)c1 10672048 SVXIZLUYUGKLJH-CQSZACIVSA-N 508.438 3.903 50 10 KHGE COc1cc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(OC)c1OC 12570270 IZWJEQZEWJAKQM-UHFFFAOYSA-N 516.403 3.514 50 10 KHGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)cc1OC 40816001 OSAZNYQRWYREPY-MWAVMZGNSA-N 505.571 3.813 50 10 KHGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(Br)cc1 103864830 RJEHVDNKEZMKOC-WYMPLXKRSA-N 541.240 3.582 50 10 KHGE O=C(CCl)Nc1cc(I)c(I)c(I)c1 204970200 NEXKHCHXJTXLCN-UHFFFAOYSA-N 547.299 3.678 50 10 KHGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@H](CBr)O1 235354035 YBZLJGLCWGSWRI-SCZZXKLOSA-N 502.972 3.678 50 10 KHGE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2350096029 IOFNRAWYSHCDGE-QFIPXVFZSA-N 507.719 3.973 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]1[C@H]3C2 2378007192 FUBOIUYTERPTKI-WBMPEDJVSA-N 517.714 3.581 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)ccc1Br 100080798 FDLKIRHZLKKADS-UHFFFAOYSA-N 610.122 3.762 50 10 KHGE O=C(/C=C\c1cccc2ccccc12)NNC(=O)CCC(=O)NNC(=O)/C=C\c1cccc2ccccc12 101476079 MNTNMMYMUMUZDA-IQRFGFHNSA-N 506.562 3.795 50 10 KHGE CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)[C@H](C)Cl)CC1)S(=O)(=O)c1ccccc1 103139492 JMFBCLQMVUHQTF-NRFANRHFSA-N 550.121 3.743 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(C)c1C 1084585344 ZZBFCAUCVBVBGI-INIZCTEOSA-N 578.484 3.662 50 10 KHGE O=C(N/N=C(/CNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F)c1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1 1614018924 NQGIWHJDENNPLC-LZJGWOLESA-N 563.430 3.920 50 10 KHGE CCOC(=O)Cc1cc(I)c(CBr)c(I)c1 2055238117 PAXSILGKTCNJRT-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CC2(C1)OCCC[C@H]2Br 2159660094 KRKRBRFJMXFKEN-GFCCVEGCSA-N 514.983 3.822 50 10 KHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(Cl)cc3C)cc2)c1 12503410 ZVKXZDTUHMRITB-UHFFFAOYSA-N 511.003 3.924 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)c(Br)c1 14644921 YISCXXWPNLRSAY-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc(OC)c1OC 38700411 WGRXKLQVDFRKBK-LOSJGSFVSA-N 516.506 3.676 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100080201 AUJYPMRDHUVLHV-UHFFFAOYSA-N 596.095 3.697 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1cccc(Cl)c1 100118596 QHWQIDBNCDKENP-UHFFFAOYSA-N 535.645 3.888 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C=N[C@@H]4C(N5C(=O)c6ccccc6C5=O)=NC=N[C@@H]43)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 229710684 RSALMWXDDHSQLZ-ARTOXVKGSA-N 641.874 3.804 50 10 KHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Br)cc1)Nc1ccc(F)cc1 1084267792 NNGAJONGJTVDAV-UHFFFAOYSA-N 513.323 3.695 50 10 KHGE Nn1c(SCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084472126 VTGOQHBLGCRUGB-UHFFFAOYSA-N 534.514 3.510 50 10 KHGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 1084625341 OBVFWPIJYTWEGY-UHFFFAOYSA-N 522.945 3.623 50 10 KHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749300 KSSJTEBVDGRIJX-UHFFFAOYSA-N 552.403 3.661 50 10 KHGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)ccc1OCC(=O)N(CC)CC 1865707479 XTKKZVZCNGVHBU-LJQANCHMSA-N 507.513 3.786 50 10 KHGE COc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](C)C(=O)Nc4ccc(SC#N)cc4)cc3C2=O)cc1OC 1866574318 LZSHLAJBQZPZOZ-HNNXBMFYSA-N 530.562 3.835 50 10 KHGE CN(C[C@H]1C[C@H](Br)C1)C(=O)c1cc(I)cc(I)c1O 1887823336 MGSXMRHWUXEENW-ZKCHVHJHSA-N 549.972 3.847 50 10 KHGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2268678637 JINFOHDLHSRQCN-CRICUBBOSA-N 506.433 3.511 50 10 KHGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 14646004 OHVJIDZZHMOHDS-UHFFFAOYSA-N 524.437 3.597 50 10 KHGE CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)NN=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 58986974 BUNBLIWQGMYAKY-VWLOTQADSA-N 518.526 3.807 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3OCC(=O)O)n2-c2ccc(C)cc2)cc1 254680020 VPLPNQQDXFLIAL-UHFFFAOYSA-N 531.594 3.957 50 10 KHGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(C)=O 254863534 TUSWVJKSFVHETR-MSRJNXITSA-N 500.555 3.608 50 10 KHGE COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)NN=Cc4ccc(F)cc4)[C@H]3C)c1OC)OCO2 254874913 SJYBJZLTBKRSMK-QLJPJBMISA-N 508.300 3.548 50 10 KHGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 2296846432 LTKQPOALIUKHTL-PMACEKPBSA-N 520.611 3.807 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccccc3Cl)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642481 JJHDYZGLZGFCAG-HWAWHHLPSA-N 557.087 3.769 50 10 KHGE N#CC(=Cc1cc(I)c(O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313546035 YCQCSMYXUKIOCL-UHFFFAOYSA-N 585.183 3.857 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 2349644078 GPLALDNTGVDNIZ-ZMPRRUGASA-N 505.703 3.725 50 10 KHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)c1 14651250 APDSNDDZJBSFJA-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 100136801 ZPHDUVARIDRRTI-UHFFFAOYSA-N 542.441 3.820 50 10 KHGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NC1CCN(C(=O)OC(C)(C)C)CC1 217254442 KQBYGWILSJTGAI-SQFISAMPSA-N 510.376 3.935 50 10 KHGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)NCc3ccccn3)o2)cc1 1084028589 VUNCNZMTUNHBAV-UHFFFAOYSA-N 580.066 3.794 50 10 KHGE CCOC(=O)COc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084072815 NYCWAOKWWVBYBW-SFHVURJKSA-N 636.224 3.802 50 10 KHGE COC(=O)COc1cccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 1084241764 FDLBUHVMZFEWGK-UHFFFAOYSA-N 550.420 3.891 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=CC(C)C 1084627182 AXNLNDDORNCTMV-AWEZNQCLSA-N 512.421 3.919 50 10 KHGE C[C@@H](C(=O)NC[C@@H](C)Cl)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865891141 OOYWVQGMMCZMQT-UHNVWZDZSA-N 798.322 3.833 50 10 KHGE CC1(C)OC[C@@H](NC(=O)c2ccc(Br)cc2I)[C@H]1Br 2142282762 IFLQEQSGFPCFBX-GHMZBOCLSA-N 502.972 3.724 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 101608989 UUAAGFAITCKSEX-OVVQPSECSA-N 565.435 3.754 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 254493813 ROHLTFYNPYJBRU-UHFFFAOYSA-N 503.540 3.935 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)c2ccccc2F)cc1 1083995005 JULMAGKRAGRWJA-UHFFFAOYSA-N 513.616 3.974 50 10 KHGE Cc1cc(I)ccc1NC(=O)CCC(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O 1084013997 YFYKNZWEICRPJL-UHFFFAOYSA-N 530.706 3.736 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC 1084108683 FVNINZQAZAAVQH-UHFFFAOYSA-N 523.611 3.610 50 10 KHGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3s2)cc1 1866215126 COTUEYGAUHRTFZ-LDADJPATSA-N 514.629 3.801 50 10 KHGE Brc1cc(I)cnc1N1C[C@H](Br)C2(CCOCC2)C1 2133379916 XJGKAKBIPPLTJL-NSHDSACASA-N 501.988 3.829 50 10 KHGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1cc(I)ccc1Br 2195496976 PYOWYVFWOKYNJX-MWLCHTKSSA-N 516.999 3.974 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CC[C@]2(C[C@H](Br)CO2)C1 2201763819 QIWOGUUYHWTNGK-XPTSAGLGSA-N 514.983 3.822 50 10 KHGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 14667356 DFVKAPDIAOBGIS-UHFFFAOYSA-N 514.829 3.852 50 10 KHGE O=C(CCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br)NCc1ccccc1 100061509 GJJXARHZMSVCBR-UHFFFAOYSA-N 563.246 3.988 50 10 KHGE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866609396 SJEHHRROSGMNAS-HSZRJFAPSA-N 521.643 3.735 50 10 KHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)CCC(CCl)CCl)C1 2084715836 PCDMPUAFPXCMAB-FQEVSTJZSA-N 508.512 3.511 50 10 KHGE O=S(=O)(N=C1C=CC(=NS(=O)(=O)c2ccccc2)[C@@H](Br)[C@@H]1Br)c1ccccc1 2296463509 DMRSNQOTECEXAV-QZTJIDSGSA-N 546.262 3.743 50 10 KHGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCC(=O)O 2313560784 GSUTXSQEDDXDMQ-UHFFFAOYSA-N 506.296 3.926 50 10 KHGE N#C/C(=C\c1cc(Br)c(I)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 59105011 LKWJBGSTHJLXFI-SGKSJHCHSA-N 508.117 3.854 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100201953 YFATUSINXUWZKI-UHFFFAOYSA-N 595.697 3.605 50 10 KHGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4Br)c(C)c32)cc1 101609533 PJKPAHSKMPTZSB-LGUFXXKBSA-N 559.442 3.753 50 10 KHGE COCC(=O)N1CCN(C(=O)/C(C#N)=C2\SC=C(c3cccc(OC)c3)N2c2ccc(C)cc2)CC1 103152621 HIWRTPTUBJYCKT-VYIQYICTSA-N 504.612 3.608 50 10 KHGE CCCCCCOc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 252426638 INZACIMZNYCMHW-KEJFTWOCSA-N 592.423 3.980 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 254295036 WDJRFLYBUNPZSR-UHFFFAOYSA-N 523.611 3.610 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(B(O)O)cc1C 2283963352 LFCAMDGOYPOZDL-QLXKLKPCSA-N 520.460 3.648 50 10 KHGE NC(=O)Cn1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2Br)c(-c2ccccc2)n1 100422038 QLDJBHVIQGTDNZ-IPPBACCNSA-N 545.397 3.814 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1 1084465017 OCBVUCCRFBHJID-UHFFFAOYSA-N 639.659 3.911 50 10 KHGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2ccc(I)c(Br)c2)C1 2121365786 ABGIYZLQMRRIJR-OKAXRFMISA-N 520.927 3.922 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCCl)COCc1ccccc1 2303766308 HCGUWVMITLGLQC-OAQYLSRUSA-N 507.052 3.977 50 10 KHGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C(C)=C(C#N)C1=O 2314619093 ZQNWJSRQDZHJHF-UHFFFAOYSA-N 573.675 3.808 50 10 KHGE COC(=O)[C@@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 106048731 KXTNIKNREDJJSO-FCUGFLGKSA-N 583.387 3.956 50 10 KHGE COc1ccc(Br)cc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 725274187 JTGBZNJVPOECSY-UHFFFAOYSA-N 587.496 3.800 50 10 KHGE O=C(CSc1n[nH]c(NN=Cc2cc(Br)cc(Br)c2O)n1)NNC(=O)c1ccc(Cl)cc1 1083890542 PWWOZWCXRFPHFX-UHFFFAOYSA-N 603.684 3.688 50 10 KHGE Cc1c(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1083954625 ZMUBSRFCMRYCHA-UHFFFAOYSA-N 614.640 3.998 50 10 KHGE O=C(CSc1n[nH]c(NN=Cc2cc(Br)c(O)c(Br)c2)n1)NNC(=O)c1ccc(Cl)cc1 1084326240 UJOOFMJFLQMWMR-UHFFFAOYSA-N 603.684 3.688 50 10 KHGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccc(OCC(=O)O)cc2)cc1 1084655556 OSXZRIMEHXFAID-UHFFFAOYSA-N 515.975 3.534 50 10 KHGE O=C(NC[C@H](Br)CBr)c1cc(Br)ccc1I 1981566418 UFQJECCPRMETPY-SSDOTTSWSA-N 525.804 3.942 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CC[C@]2(C[C@H](Br)CO2)C1 2201763803 QGFVIOPJLSARDD-HZMBPMFUSA-N 514.983 3.822 50 10 KHGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314617768 AIIKFBNGTHPUPY-UHFFFAOYSA-N 629.739 3.968 50 10 KHGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(=O)OCCC)cc1 14033104 OEFNVUJQKVTZMK-UHFFFAOYSA-N 515.632 3.927 50 10 KHGE Cc1cccc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14639309 OEVAPKWIHFAIJZ-CYBMUJFWSA-N 500.187 3.822 50 10 KHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40815988 KSMUKJLVEKFTOA-JBASAIQMSA-N 504.562 3.925 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCN(c3ncccn3)CC1)[C@@H]2Br 100922117 WBFPLNQECDITCI-UUWFMWQGSA-N 551.121 3.811 50 10 KHGE CSCC[C@H](C(=O)Nc1cccc(C)c1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 103618882 ZJZCVKBDKIUHRQ-LBXREMGKSA-N 544.309 3.833 50 10 KHGE COc1ccc(C=NNC(=O)COc2c(Br)cc(C)cc2Br)cc1[N+](=O)[O-] 252641160 ZASJAKOFPBHQBR-UHFFFAOYSA-N 501.131 3.966 50 10 KHGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(I)c(=NCc3ccccc3)nc2O)C[C@H]1O 616587728 ZDMIDTVJIFIPGD-GUDVDZBRSA-N 557.505 3.964 50 10 KHGE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H]1C[C@H](C(=O)OCCl)CN(C(=O)OCc2ccccc2)C1 675061077 XOZQFUPUGAVDQX-GIVPXCGWSA-N 510.031 3.694 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1cccs1 1084095331 QOFLAKIYAGQKEB-UHFFFAOYSA-N 506.447 3.894 50 10 KHGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)cc(I)c1O 1084367558 CLDLXTJRLFTHGU-OAHLLOKOSA-N 550.134 3.565 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cnn(C(C)C)c1 1084408111 VLFQEJYNYVCVQO-UHFFFAOYSA-N 564.457 3.701 50 10 KHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746685 FHCXNBQRRASWFG-UHFFFAOYSA-N 533.560 3.997 50 10 KHGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749050 WAOMCZSBDGKNOV-UHFFFAOYSA-N 507.418 3.817 50 10 KHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)COc4ccc(Cl)cc4Cl)c(=O)c23)C1 1860771953 NACKSXZNVZAWEY-RYUDHWBXSA-N 509.415 3.677 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2ccc(N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)c2ccccc2)cc1 1866907858 AVEJQIPGDRAILE-XTEPFMGCSA-N 589.743 3.679 50 10 KHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(I)c(Br)c2)C[C@H]1Br 2130804131 GSPWWDGYNILGAX-MKPLZMMCSA-N 502.972 3.724 50 10 KHGE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H]1C[C@@H](C(=O)OCCl)CN(C(=O)OCc2ccccc2)C1 616574058 XOZQFUPUGAVDQX-CEWLAPEOSA-N 510.031 3.694 50 10 KHGE COc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1083934640 JWQJIXUJIWNGAF-UHFFFAOYSA-N 539.610 3.519 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1083934677 UVBBFLZZPGJKEP-UHFFFAOYSA-N 556.597 3.745 50 10 KHGE COCCN(C[C@H](C)Br)C(=O)c1ccc(Br)cc1I 2272468532 YIMXRPZDQMAURL-VIFPVBQESA-N 504.988 3.926 50 10 KHGE Cc1ccc(S(=O)(=O)NNC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 35649056 ZOMDGRWHMBYYMP-QGOAFFKASA-N 510.062 3.640 50 10 KHGE COc1cccc(C=NNC(=O)[C@H](C)Sc2nnc(S[C@H](C)C(=O)NN=Cc3cccc(OC)c3OC)s2)c1OC 252631061 VHHRYNHMMAJZLZ-IYBDPMFKSA-N 618.763 3.834 50 10 KHGE COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)NN=Cc4ccccc4F)[C@H]3C)c1OC)OCO2 254751040 HHHLHNKIVCNYOV-QLJPJBMISA-N 508.300 3.548 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(O)c(OC)c3)n2-c2ccc(OC)cc2)cc1 254907623 LJHSDZLKHDRURJ-UHFFFAOYSA-N 519.583 3.908 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084648356 LVBWCYGPWGUCME-UHFFFAOYSA-N 523.611 3.923 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 14654092 GURXBYQZEZAJRC-UHFFFAOYSA-N 500.802 3.606 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1 100086848 DLUCZGPSIONGLF-UHFFFAOYSA-N 535.247 3.798 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)NN=Cc1cccc(F)c1 254397798 DQWQYARFQXDUHT-UHFFFAOYSA-N 507.609 3.518 50 10 KHGE COC(=O)[C@@H]1O[C@@H](Br)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083804961 KXTNIKNREDJJSO-ODTAKUCXSA-N 583.387 3.956 50 10 KHGE in-vitro Nn1c(SCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nnc1-c1ccccc1Br 1083914509 OHCNWVIFMMHKMQ-UHFFFAOYSA-N 605.110 3.894 50 10 KHGE CN(C)c1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1 1084014679 NGBPSECOIPIDBP-UHFFFAOYSA-N 502.442 3.510 50 10 KHGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(N=[N+]=[N-])c(C)c1B(O)O 1887521475 RNMPJBGAEWZFQU-UHFFFAOYSA-N 511.391 3.992 50 10 KHGE CN1CCC[C@H]([C@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2142285948 WVIFYTDZGGTXDS-VXGBXAGGSA-N 523.028 3.914 50 10 KHGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314611505 WAEIHENUHLKVGH-UHFFFAOYSA-N 585.686 3.808 50 10 KHGE C[C@H]1C[C@H](OC2(CI)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)S1(=O)=O 2352578721 KHXUKGCQNYICRV-QDMKHBRRSA-N 501.427 3.562 50 10 KHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 14660435 AAYWXNZEWRVHSJ-UHFFFAOYSA-N 519.421 3.534 50 10 KHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 100101015 LYULDRZKDRWBKP-ZDUSSCGKSA-N 525.412 3.828 50 10 KHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCOC 100203197 OKUJGSOVBGWUHF-HNNXBMFYSA-N 538.464 3.702 50 10 KHGE COc1cc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])cc1O 104769634 FKMOQEOIDHPVNS-JVWAILMASA-N 532.582 3.917 50 10 KHGE O=C(N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 105668122 GFMQZDDQYQVUNW-NDILIQOGSA-N 514.090 3.695 50 10 KHGE CC(CC(=O)Nc1ccccc1Cl)=NNC(=O)[C@@H]1C[C@H]1C(=O)NN=C(C)CC(=O)Nc1ccccc1Cl 1084067694 ACQYPPYMXILRRC-IAGOWNOFSA-N 545.427 3.971 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Br)cc2)Cc2ccccc2)cc1 1084256017 ILWUMFKIRZPYPK-UHFFFAOYSA-N 516.417 3.799 50 10 KHGE CCN1CC[C@@H]([C@@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2089522970 LXDLHDMGPPYPHO-RYUDHWBXSA-N 523.028 3.914 50 10 KHGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc(OCC)c1OCC 2314793632 VZYLKYDLGWMMDT-UHFFFAOYSA-N 524.570 3.876 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1I 12573734 VEECHITZGHUNJH-UHFFFAOYSA-N 511.385 3.547 50 10 KHGE CNc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100273167 SQPFQLKKWRNLTD-OLIBUNOHSA-N 563.177 3.901 50 10 KHGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 101335219 KTAPOUQWJMBVOK-FYJGNVAPSA-N 513.510 3.695 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 101493312 MKYMZVHQVSFWCT-UHFFFAOYSA-N 571.721 3.532 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)c1 214286588 CYKCUWWTUQWZMI-ITYLOYPMSA-N 573.675 3.808 50 10 KHGE COc1c(OC(C)=O)ccc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1[N+](=O)[O-] 254352163 SAZODZZJMUYHIG-AHCSXMLKSA-N 508.512 3.511 50 10 KHGE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H]1C[C@H](C(=O)OCCl)CN(C(=O)OCc2ccccc2)C1 616574107 XOZQFUPUGAVDQX-SESVDKBCSA-N 510.031 3.694 50 10 KHGE CC(C)(CNC(=O)c1ccc(I)c(Br)c1)OCCBr 721512915 ZGVBCBMNHYQUMG-UHFFFAOYSA-N 504.988 3.974 50 10 KHGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCNC(=O)c3ccccc3Cl)cc2)cc(OC)c1OC 1772720571 RHXYJSZZXWJFSB-UHFFFAOYSA-N 539.972 3.855 50 10 KHGE COc1ccc(-c2n[nH]cc2C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 2295650061 OUAMXTCMCLFXHF-UHFFFAOYSA-N 506.569 3.888 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cc(Br)ccc3O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642424 CZMITVFZEVPIFM-WGOVGHMOSA-N 617.537 3.583 50 10 KHGE COc1cc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 18200242 RBRDCLJCYBTNNE-LFPIHBKWSA-N 522.554 3.947 50 10 KHGE O=C(COc1ccc(Br)cc1Br)N/N=C1/C(=O)Nc2ccc(Br)cc21 100092846 RCYAYYZNZIPSMX-UHFFFAOYSA-N 531.986 3.826 50 10 KHGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Cl)cc1Cl 103863964 SMQYYHLTPUABDM-OPEKNORGSA-N 578.234 3.968 50 10 KHGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc(OC)c1OC 1084062091 JKUKSNTWITXOFG-UHFFFAOYSA-N 511.600 3.675 50 10 KHGE CC(/C=C/c1ccccc1)=NNC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 1084422523 ZEWULEPVGRGHKO-FJVSJHGPSA-N 510.536 3.553 50 10 KHGE O=C(N[C@H](C[S@](=O)C[C@H]1C[C@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877465698 VYLPSXAFSPGXBB-JHIZVHIMSA-N 506.418 3.901 50 10 KHGE O=C(N[C@H](C[S@@](=O)CC1CC(Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893205529 VYLPSXAFSPGXBB-LHELDSRHSA-N 506.418 3.901 50 10 KHGE CCc1cc(Br)ccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 101832461 NYOTUQIMSIIEOR-XDHOZWIPSA-N 529.387 3.770 50 10 KHGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1cc(F)ccc1[N+](=O)[O-] 103594577 NXWFDJLVXCKBRG-MHWRWJLKSA-N 526.502 3.515 50 10 KHGE CCOC(=O)COc1cc(Br)c(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 1084090584 XNNPQKCQRWFWCK-FQEVSTJZSA-N 537.407 3.762 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)c2cc(Cl)ccc2OC)cc1OC 1084285947 DMNUTNVCEDSBRR-UHFFFAOYSA-N 633.123 3.615 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743602 GCDBZNDKVKDPCW-UHFFFAOYSA-N 509.906 3.695 50 10 KHGE O=C(CN1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O)Nc1nnc(CCl)s1 1865893934 MYPDDLYKJOUQEA-UHFFFAOYSA-N 840.344 3.930 50 10 KHGE COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959245 DWWAOMUFFGZLHQ-VULFUBBASA-N 509.471 3.612 50 10 KHGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 101472819 JJJQORZFJCOXDT-UHFFFAOYSA-N 554.567 3.962 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccco1)[C@H]2Br 256019002 FMQCMHHFAACWAN-LKTVYLICSA-N 513.024 3.726 50 10 KHGE C#CCOc1c(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 1084087131 SYIZJLICFOMQJB-HMMYKYKNSA-N 541.389 3.958 50 10 KHGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 1084400899 HSPUWRLGIUGXTC-UHFFFAOYSA-N 530.002 3.546 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Cl)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858956489 HXTAYJXZIRZUIF-UHFFFAOYSA-N 507.883 3.795 50 10 KHGE Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(=O)(=O)N(C)C 1866638513 JZPPQJOBRNCDNT-QHCPKHFHSA-N 522.652 3.798 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2268644717 NEKXIBJVSQDLHA-LMKMVOKYSA-N 506.795 3.912 50 10 KHGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 2324186188 MDDSMCPDNURHQW-UHFFFAOYSA-N 502.596 3.686 50 10 KHGE Cc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1B(O)O 2381148396 ZABWARVVWJBJGV-DEOSSOPVSA-N 504.367 3.706 50 10 KHGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 10041116 KKTRDBDSMDDSSS-ACCUITESSA-N 514.401 3.725 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1OC 14646019 JVDYMMYRCBJACT-UHFFFAOYSA-N 524.437 3.841 50 10 KHGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCOCC3)c2)C1 101066110 VVLCNNJQORLVHI-YMLINEMLSA-N 545.665 3.726 50 10 KHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101606878 FHCXNBQRRASWFG-JBASAIQMSA-N 533.560 3.997 50 10 KHGE C[C@@H](CO)OCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCO[C@@H](C)CO 197424362 ARUUUQLULLOGLU-VXKWHMMOSA-N 528.908 3.740 50 10 KHGE C[C@@H]1CN(C(=O)c2cc(Br)ccc2I)C[C@@H](CBr)O1 235353906 YBZLJGLCWGSWRI-PSASIEDQSA-N 502.972 3.678 50 10 KHGE O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 1083894223 HBRBAOFAXGIHTL-UHFFFAOYSA-N 517.361 3.703 50 10 KHGE O=S(=O)(CCOCCCl)Nc1cc(Br)c(I)c(Br)c1 1877119257 HUBIHDLSZUSBSK-UHFFFAOYSA-N 547.434 3.813 50 10 KHGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 2296540766 QHYWBXVBIZIRPA-QFIPXVFZSA-N 504.612 3.847 50 10 KHGE CC/C(=N/NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 100154863 AWVIYEMNFIYYMJ-RRAHZORUSA-N 586.623 3.755 50 10 KHGE NNC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 100562354 NTUIUTBKQRWXKR-RSXGOPAZSA-N 580.483 3.858 50 10 KHGE CC(C)C1=C/C(=N/S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@](C)(Br)[C@H](Br)C1=O 103726719 CYMLLQJWPBLHBV-CKCVYMDASA-N 508.188 3.807 50 10 KHGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 104803585 ANBLBOZXGRHBOE-UHFFFAOYSA-N 535.464 3.944 50 10 KHGE O=C(N[C@H]1CCCN(CCBr)C1)c1cc(Br)ccc1I 384669702 CTTAZWQAMXCFFC-NSHDSACASA-N 516.015 3.643 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)cc1 9231609 OZPSMJIPESDBRN-UHFFFAOYSA-N 506.397 3.916 50 10 KHGE CCOC(=O)COc1ccc(Br)cc1/C=N\NC(=O)CC[C@@H](O)c1ccc(OCC)cc1 58895610 MFZFLZHGJXEUJO-PUDRWSQFSA-N 507.381 3.754 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612307 HISKZAOTYIMSSH-VUTHCHCSSA-N 559.406 3.970 50 10 KHGE COc1cc(C=NNC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254387124 SKEBUQAZJNCRDN-UHFFFAOYSA-N 507.543 3.811 50 10 KHGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 254573536 RLGXDCXIWJRYTE-NDEPHWFRSA-N 545.621 3.970 50 10 KHGE CCS[C@@H]1O[C@](COC(C)=O)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC)[C@@H]1OC(C)=O 575449042 JZSNCODNDCJVAL-MCLUNMOSSA-N 632.848 3.853 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 1084238437 UKCLPACJDMWFPU-UHFFFAOYSA-N 553.637 3.618 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 2314620583 RLGJQSHXDKKHTD-UHFFFAOYSA-N 558.566 3.859 50 10 KHGE CC[C@](C)(NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 2331922408 CHUXWMVVQZKKNI-DEOSSOPVSA-N 500.646 3.837 50 10 KHGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1ccc(OC(=O)N2CCOCC2)cc1 3013952 MYSVYORQAJEDJJ-IBGZPJMESA-N 522.359 3.888 50 10 KHGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 13993213 GJRTWPHHUUXUNS-CYBMUJFWSA-N 500.187 3.822 50 10 KHGE O=C(CCCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc(-c2ccccc2)cc1 100098737 FTSYEJJXZAZAKH-UHFFFAOYSA-N 580.641 3.944 50 10 KHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 100113004 JBWPCEWDZCUNKD-OAHLLOKOSA-N 526.442 3.739 50 10 KHGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccncc5)c(C)c43)coc2c1 1772752090 WNHVVKRWJBUEFH-UHFFFAOYSA-N 513.554 3.820 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCc2nc(O)c3ccccc3n2)cc1 1867262500 SSBHBKIKRHOFPC-HSZRJFAPSA-N 513.579 3.913 50 10 KHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCBr)Cc1ccccc1 1956235334 ZANWPJGEGPUITM-QFIPXVFZSA-N 511.413 3.628 50 10 KHGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2132364336 HHPZQWDEJFISTQ-HOCLYGCPSA-N 504.244 3.832 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1ccccc1Br 104768656 OHCNWVIFMMHKMQ-QPJQQBGISA-N 605.110 3.894 50 10 KHGE O=C(CSCc1ccc(Cl)cc1)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 104995954 XFIGIVQBWIKQCD-KRUMMXJUSA-N 533.009 3.737 50 10 KHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1cccc(Br)c1 252600711 DTBXNIXIWQNENO-UHFFFAOYSA-N 544.427 3.562 50 10 KHGE aggregator N#CC1=C(N)n2c(sc(=Cc3cc(Br)ccc3F)c2=O)=C(C#N)[C@H]1c1cc(Br)ccc1F 252668251 FAVSSUPWZVWWDL-IBGZPJMESA-N 576.220 3.664 50 10 KHGE CS(=O)(=O)O[C@@H]1[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](n2ccc(O)nc2=O)[C@@H]1Br 261493356 UVZKDSPZQUZHDS-RSYZFUPGSA-N 613.486 3.921 50 10 KHGE CC(C)(CNC(=O)c1cc(Br)ccc1I)OCCBr 311382659 BQZBXZNMJKJVCI-UHFFFAOYSA-N 504.988 3.974 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2283967668 ACIPMDQBTXECPV-ODCWNRFASA-N 508.330 3.537 50 10 KHGE CC1=C(Br)C(=O)[C@@](C)(Br)[C@@H](Br)C1=NS(=O)(=O)c1ccccc1 2297463838 OPWIFPBMJSZQCX-JSGCOSHPSA-N 514.033 3.985 50 10 KHGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623245 CSDJIEPKYMJCGS-GOSISDBHSA-N 502.409 3.684 50 10 KHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812988 VXFHYWOXYIGKQL-XAYXJRQQSA-N 501.543 3.929 50 10 KHGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 216980711 ZLFLYUIEOXYVFW-DAFNUICNSA-N 500.624 3.615 50 10 KHGE CCCCCCCCCCCC(=O)O[C@H]1[C@H]([S@@](C)=O)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@@H](O)[C@H]1O 504386154 CIBVDGZXDAXGHD-QNTLRWPESA-N 623.297 3.877 50 10 KHGE C=CCOc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 1084356234 AVEHLHICZDDCGQ-UHFFFAOYSA-N 523.611 3.610 50 10 KHGE Cc1c(CC(=O)OC(C)(C)C)cc(B(O)O)cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887520322 YPELYDCTQSBOSZ-UHFFFAOYSA-N 501.388 3.944 50 10 KHGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c(I)c2)cc1 2295482990 NKZCLXCOVZZXJR-UHFFFAOYSA-N 554.388 3.984 50 10 KHGE CCOC(=O)C(C#N)=Cc1ccc(N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1 2296744197 VLMDSMCCGXJMCH-UHFFFAOYSA-N 508.578 3.728 50 10 KHGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)c1 2314476973 ZDNBELUTOXULEJ-UHFFFAOYSA-N 561.664 3.546 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 14021931 GPSDVZUDVYWNDQ-UHFFFAOYSA-N 506.005 3.836 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 100080034 NXAZQASKRRIGMJ-UHFFFAOYSA-N 541.457 3.992 50 10 KHGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100113044 SVVXLRMFLFRJDF-UHFFFAOYSA-N 538.670 3.797 50 10 KHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 100314019 WLAAHORWJLBCAJ-LJQANCHMSA-N 561.502 3.558 50 10 KHGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccc(F)cc3)[C@H]2C)c(OC)c2c1OCO2 263629806 IVINAXBERJFNBP-QLJPJBMISA-N 508.300 3.548 50 10 KHGE CCOc1c(I)cc(C=NNC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc1OC 1084387948 BIMSWYTXVYEWEP-UHFFFAOYSA-N 617.238 3.712 50 10 KHGE C[C@@H](Cl)CNC(=O)[C@@H](C)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865891140 OOYWVQGMMCZMQT-RFZPGFLSSA-N 798.322 3.833 50 10 KHGE N#CC(=Cc1cc(Br)c(I)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 2313556805 LKWJBGSTHJLXFI-CXAGYDPISA-N 508.117 3.854 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c(Br)c1 2313860893 WCOVALWKSCNBLE-UHFFFAOYSA-N 521.393 3.595 50 10 KHGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 100207366 WQYMZPAKYUEHEJ-UHFFFAOYSA-N 543.399 3.928 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OC)c([N+](=O)[O-])c2)cc1 100237511 RYANDYQNSHCWPV-WQFTWXBESA-N 527.315 3.571 50 10 KHGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1OC 1083972458 FDCJGSYDVOPJRY-UHFFFAOYSA-N 531.974 3.839 50 10 KHGE C[C@@H](C(=O)NCCCBr)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865890667 GYXZPZSUMQDURB-YFKPBYRVSA-N 842.773 3.991 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)cc1 1866926090 DSRZMHIXDLHZCT-UGKGYDQZSA-N 517.698 3.831 50 10 KHGE Cc1nnc2sc(CCC(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)nn12 1867042724 VTVAZPRWGVNQIE-LJQANCHMSA-N 509.592 3.505 50 10 KHGE O=C(CCN1CCN(Cc2ccc3c(c2)OCO3)CC1)NNC=C1C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 2053621873 BSYRZTQYNPVZHO-UHFFFAOYSA-N 621.616 3.791 50 10 KHGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)c1 10672259 AHXMXUCPKCZEPO-GFCCVEGCSA-N 514.829 3.994 50 10 KHGE O=C(CSc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2)n1)NNC(=O)c1ccc(F)cc1 20923560 POVIJOBKMUCCMR-MZJWZYIUSA-N 519.562 3.522 50 10 KHGE O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658811 NGFNRXFYETVBJS-UHFFFAOYSA-N 506.325 3.914 50 10 KHGE O=C(NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1)c1ccccc1I 100161542 SMFARTGHSFZOFG-UHFFFAOYSA-N 561.401 3.698 50 10 KHGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101333750 YIKKVVRRIQTCRE-BUVRLJJBSA-N 529.622 3.790 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 205778661 XNTSDYRCDFZGLY-RXULLKCLSA-N 559.556 3.780 50 10 KHGE CCO[Si](CCCNC(=O)N[C@@H]1N=C(c2ccccc2F)c2ccccc2N(C)C1=O)(OCC)OCC 1887620386 MZKMYDDFSKBDLW-DEOSSOPVSA-N 530.673 3.703 50 10 KHGE COc1c(Br)cc(Br)cc1C=CC(=O)NC(=S)NNC(=O)c1cccs1 2313630051 BPRVHCCSOWVCGK-UHFFFAOYSA-N 519.240 3.631 50 10 KHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 12570063 TVHGGNAJNZLDJD-CQSZACIVSA-N 511.431 3.818 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14655770 XZEJIKMRTYLMSE-UHFFFAOYSA-N 521.437 3.782 50 10 KHGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)ccc1OCCc1ccccc1 100313608 FQROFPOPGIKRHM-OAQYLSRUSA-N 536.426 3.880 50 10 KHGE C/C(CC(=O)Nc1ccc(I)cc1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 100981291 PRQDNPNFOYDWFJ-UFFVCSGVSA-N 500.680 3.987 50 10 KHGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccncc5)c(C)c43)coc2c1C 101619884 NEVFOOITUDGNAI-MWAVMZGNSA-N 513.554 3.820 50 10 KHGE COc1cc(C=NNC(=O)CNC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cccs1 254307935 OCUZMXCIOPZQLM-UHFFFAOYSA-N 516.373 3.619 50 10 KHGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4Br)c(C)c32)c1 1772747821 RQUFJJUGEWXUBP-UHFFFAOYSA-N 539.386 3.904 50 10 KHGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314793013 JYPSYMVZLMDYRY-UHFFFAOYSA-N 501.539 3.762 50 10 KHGE CCN(C[C@](C)(CI)O[C@H]1C[C@H](C)S(=O)(=O)[C@H](C)C1)C(=O)OC(C)(C)C 2352656806 MGNNKRYHCPCIPF-KRXQYRFLSA-N 503.443 3.808 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2378013839 HLMGVZZVYUVNAP-RJNZEALMSA-N 519.730 3.973 50 10 KHGE COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@H](c3ccc(F)cc3)C(C#N)=C(N)N2C1=O 3770045 ZFAAOOFRZYUAIM-TZIWHRDSSA-N 506.559 3.591 50 10 KHGE COc1cc(C(=O)N/N=C\c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC 33939363 KBDQGBVPOIJRNF-MBTHVWNTSA-N 524.526 3.721 50 10 KHGE COc1cc(/C=N/NC(=O)c2cncc(Br)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100527185 CUQLCRYODWGCJG-LUOAPIJWSA-N 544.358 3.862 50 10 KHGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 725419157 PBIVTPMCNJOHAY-UHFFFAOYSA-N 522.945 3.623 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2ccc(Cl)cc2Cl)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083986258 XUIRKJBONMSQLO-UHFFFAOYSA-N 539.361 3.805 50 10 KHGE COc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)ccc1O 1084091454 VOPBFJLUJBCLIK-UHFFFAOYSA-N 546.443 3.547 50 10 KHGE COc1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1[N+](=O)[O-] 1084301803 DKWLUSBUGHGANE-UHFFFAOYSA-N 510.572 3.950 50 10 KHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1Cl 1084414256 NEDDWFDGCQPFGB-UHFFFAOYSA-N 510.816 3.863 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084521229 CTPLSWOOWXWIFJ-UHFFFAOYSA-N 555.678 3.852 50 10 KHGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686884 DKLFPOFIRTVRHY-HHHXNRCGSA-N 529.641 3.740 50 10 KHGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NNC(=O)C(F)(F)F 20829243 YMKMGZLJZDQEMY-UHFFFAOYSA-N 500.506 3.834 50 10 KHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c(OC)c1 38656955 VJUOJJLKSJWIMK-VWLOTQADSA-N 503.467 3.815 50 10 KHGE CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 97945226 FWWDYSTTZBLGKL-RLDOKIBZSA-N 512.242 3.528 50 10 KHGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100080921 UZAHCGVFQIRBOC-UHFFFAOYSA-N 534.638 3.960 50 10 KHGE COc1ccc(C(C)=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 254296077 XYFMCXZDDHFFQN-YOWGWDLHSA-N 502.483 3.643 50 10 KHGE COc1cc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 1083935403 DNYYQKCTCCSMBV-UHFFFAOYSA-N 511.600 3.675 50 10 KHGE Cc1cccc(Cl)c1OCc1ccc(C=NNc2nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)o1 1084143325 ROKZHIKFSSVQND-AWEZNQCLSA-N 520.015 3.669 50 10 KHGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687313 OHQKSDJIMBTKAY-SANMLTNESA-N 533.604 3.571 50 10 KHGE Cc1nc(I)c(NC(=O)c2ccc(CCl)cc2)c(I)n1 2178367374 JDVOUVMTBKBYOE-UHFFFAOYSA-N 513.504 3.985 50 10 KHGE NCCCNCCCCNCCCNCCOc1ccc(N=Nc2ccc(OCCN3C(=O)C[C@@H](Cl)C3=O)cc2)cc1 2297679752 FQANYHMYGJSPQS-MUUNZHRXSA-N 602.180 3.514 50 10 KHGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2314737923 BYXFTCYPILZZTF-UHFFFAOYSA-N 548.552 3.797 50 10 KHGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14651195 AGFFHUOBQSTBAU-UHFFFAOYSA-N 524.437 3.597 50 10 KHGE COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1OC 100887952 WKJXWRMZWWQZKJ-QYZOEREBSA-N 500.374 3.549 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(O)cc1O 252605143 GGODNBVYDAHWMX-AWEZNQCLSA-N 578.436 3.723 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc(Br)ccc3O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530908 CZMITVFZEVPIFM-DXWHHXFESA-N 617.537 3.583 50 10 KHGE biogenic COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccccc1[N+](=O)[O-])c1ccccc1 1084374051 JGOIMJRJGLDSFY-UHFFFAOYSA-N 547.387 3.712 50 10 KHGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1914640315 YERBFBMCVXTWIL-KRWDZBQOSA-N 507.450 3.924 50 10 KHGE COC[C@](C)(CCBr)NC(=O)c1cc(Br)ccc1I 2101775911 FXGFMSFAEWNARB-ZDUSSCGKSA-N 504.988 3.974 50 10 KHGE CCOc1cc([N+](=O)[O-])cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 2295483041 TVWLONIYUHXNJH-UHFFFAOYSA-N 517.542 3.686 50 10 KHGE CC1=C(Br)C(=O)[C@](C)(Br)[C@@H](Br)C1=NS(=O)(=O)c1ccccc1 2297463837 OPWIFPBMJSZQCX-GXTWGEPZSA-N 514.033 3.985 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 12502737 JPOJCXHUBXPQQP-UHFFFAOYSA-N 504.612 3.658 50 10 KHGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cc(I)c(O)c(I)c1 100452970 UHFQGEFZJRYXEG-IXJMWADBSA-N 550.134 3.565 50 10 KHGE Nn1c(SCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nnc1-c1ccc(Br)cc1 1084370551 IEHQMRYVGGCKGI-UHFFFAOYSA-N 605.110 3.894 50 10 KHGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2ccccc2OCc2cccc(Br)c2)n1 1084467421 FDCLZJWBBFRTEK-UHFFFAOYSA-N 560.478 3.878 50 10 KHGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 2314476242 LIHPGBDKBLDUNG-PMACEKPBSA-N 503.628 3.859 50 10 KHGE CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c(SC#N)c1C 11132297 RVUUOGZXGOTJGL-UHFFFAOYSA-N 523.658 3.854 50 10 KHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)c(C)c1 100087160 KFEXJIWCZRRCNG-UHFFFAOYSA-N 541.855 3.539 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cccc([N+](=O)[O-])c1 1083970123 JJIQUJKZWMAONV-UHFFFAOYSA-N 500.964 3.632 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2F)cc1)Oc1ccc([N+](=O)[O-])cc1 1859008804 NGJGEIBGISLZFV-UHFFFAOYSA-N 521.910 3.837 50 10 KHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1ccc(I)c(Br)c1 2097938280 MCNVECXOSXQLSI-VHSXEESVSA-N 502.972 3.726 50 10 KHGE Cc1cc(Br)c2c(c1)C(=NNC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)C(=O)N2C 2297220899 YLOYJDPDDDANHZ-UHFFFAOYSA-N 562.380 3.934 50 10 KHGE N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)NCCN1CCN(C(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)CC1 97984146 YLTFMRSPTCGRIX-KBNZVFGVSA-N 571.531 3.664 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1I 100136940 OAFCFPGKZJGMIX-UHFFFAOYSA-N 525.412 3.974 50 10 KHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615097 IRFLZOBCCYTWET-VVEOGCPPSA-N 536.404 3.581 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCC#N)c(I)c2)cc1 1084234155 UBCONQHUEWBJOI-LJQANCHMSA-N 507.328 3.556 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746266 ACZVLSVNOTVGFW-UHFFFAOYSA-N 530.368 3.600 50 10 KHGE Fc1cncc(-n2cnc(I)c2I)c1CBr 1935702172 PTGUPAIFXCTTIX-UHFFFAOYSA-N 507.870 3.511 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OC 2053623286 POCXBRSXWNXMJX-UHFFFAOYSA-N 509.256 3.858 50 10 KHGE Cc1nc(I)c(NC(=O)c2cccc(CCl)c2)c(I)n1 2178368025 OUMXRZSSNAMEEF-UHFFFAOYSA-N 513.504 3.985 50 10 KHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NC[C@H]1CCCO1 2296547589 HRCRNFLLZYIRMD-RUZDIDTESA-N 531.638 3.526 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1 100078061 LYAGAILTCNKPQR-UHFFFAOYSA-N 521.220 3.544 50 10 KHGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 100079324 HSXBFGBBKVSNPM-UHFFFAOYSA-N 537.779 3.878 50 10 KHGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100149946 CSTQAIIHPLNMPZ-UHFFFAOYSA-N 559.280 3.961 50 10 KHGE COc1ccccc1C(=O)NCC(=O)N/N=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 100289102 IWLSRVZHSRJWOF-JJKYIXSRSA-N 511.365 3.799 50 10 KHGE CN1C(=O)/C(=C/c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)SC1=S 102618970 WODDOOAHTIPEOD-DAFNUICNSA-N 572.672 3.962 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2n[nH]c3c2CCCC3)C(=O)Nc2ccc(SC#N)cc2)cc1 1866851365 DZUJUCOAPNAOPP-QHCPKHFHSA-N 503.584 3.767 50 10 KHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C=Cc1ccc(OC(C)C)c(OC)c1 2314795908 CAELMRNULUOUQG-UHFFFAOYSA-N 506.555 3.876 50 10 KHGE O=C(COc1ccc(Br)cc1)NNC(=O)COc1ccc2ccccc2c1Br 12582908 ZOKWKFZVNHRLKO-UHFFFAOYSA-N 508.166 3.970 50 10 KHGE CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14023281 QWCUOMRWRPASQK-MRXNPFEDSA-N 500.187 3.904 50 10 KHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607191 SMJCHEQOKARTDI-ZXVVBBHZSA-N 523.933 3.624 50 10 KHGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCC#N)cc1)S(=O)(=O)c1ccc(C)cc1 1084391447 UJVSJLVKFYTJOA-UHFFFAOYSA-N 527.002 3.905 50 10 KHGE CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=NNC(=O)CCCO)(c5ccccc54)[C@H]3C2=O)cc1 1084645013 WQLZVODARQYNNY-MWKZZOCJSA-N 523.589 3.511 50 10 KHGE CC[C@@](C)(NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866899201 UNUCZDPMCIOAJH-HHHXNRCGSA-N 505.644 3.856 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(C)c(B(O)O)s1 2283986109 ORAOSIBBSQCHEE-NSYGIPOTSA-N 520.460 3.648 50 10 KHGE Cc1c(NC(=O)/C(C#N)=C\c2sc(N3CCOCC3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 105416622 VHGKUMUMGAERJM-FXBPSFAMSA-N 526.622 3.990 50 10 KHGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 1084490414 VJUUKYRQDDYHAT-UHFFFAOYSA-N 517.991 3.711 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)c(OC)c1 1084504164 QSPASZWJMZTHNI-UHFFFAOYSA-N 541.651 3.544 50 10 KHGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1cc(Br)ccc1I 2195494288 MOISHOHDSIJPKF-GXSJLCMTSA-N 516.999 3.974 50 10 KHGE CN1CCN(C(=O)c2ccc(I)c(Br)c2)[C@H](CCBr)C1 2202834451 JZTGHGQKTLZVIT-LLVKDONJSA-N 516.015 3.595 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H](CNC(=O)OC(C)(C)C)C1(C)C 2349662666 MZRYIVKIQMVMPT-NYHFZMIOSA-N 507.719 3.876 50 10 KHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 2742695 KLLIXMDIFGHWOB-RPPGKUMJSA-N 501.012 3.995 50 10 KHGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 14029693 QCKMLLRHJFGKOI-UHFFFAOYSA-N 511.385 3.810 50 10 KHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1C 14654341 QGCXJWCDBNQNED-UHFFFAOYSA-N 508.438 3.815 50 10 KHGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 214295502 IKBBFBWKSKQWGW-RRAHZORUSA-N 615.712 3.579 50 10 KHGE CCOc1cc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214437601 NKPGFYQPCQKWKK-IWIPYMOSSA-N 536.556 3.975 50 10 KHGE CCOc1ccccc1OCC(=O)NN=Cc1cccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c1 254512752 GFQYOKGGHUXIEQ-UHFFFAOYSA-N 508.527 3.859 50 10 KHGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1ccc(Br)cc1 256028599 XDJPESKQKDUREZ-UHFFFAOYSA-N 508.423 3.713 50 10 KHGE O=C1[C@H](Br)CCCN1c1cc(I)cc(I)c1 690418843 FNAGDZWYBKFZBM-SNVBAGLBSA-N 505.919 3.786 50 10 KHGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1084388669 YPCRGAWUKQQKBF-PNNQIPOWSA-N 563.057 3.935 50 10 KHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)NCc1ccco1 1084570935 FNANQFRNRBNKKO-UHFFFAOYSA-N 526.549 3.643 50 10 KHGE COc1cc(C=NNC(=O)CCNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720758 XOHRVEUOJGDHRT-UHFFFAOYSA-N 614.449 3.973 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(C)c(B(O)O)s1 2283986110 ORAOSIBBSQCHEE-SSOJOUAXSA-N 520.460 3.648 50 10 KHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3Br)cc2)c1 12500900 PVJVDBQJAZUTCY-UHFFFAOYSA-N 511.401 3.959 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc(OC)c1OC 38700414 WGRXKLQVDFRKBK-RPBOFIJWSA-N 516.506 3.676 50 10 KHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCOC)cc1 100203416 NCBKNAZKAGWSEO-OAHLLOKOSA-N 538.464 3.702 50 10 KHGE COc1cc(C(=O)NNC=C2C=C(I)C(=O)C(I)=C2)ccc1I 195806828 HLCPZYLZPXVADX-UHFFFAOYSA-N 647.976 3.639 50 10 KHGE COc1ccccc1C(=O)NCC(=O)NN=Cc1cc(Br)ccc1OC(=O)/C=C\c1ccco1 254466449 FCLQUXOJSYKQGL-HAVNASTCSA-N 526.343 3.550 50 10 KHGE aggregator CCOc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(SC)cc2)cc1 1084069958 RVXSVVBEILWRHL-UHFFFAOYSA-N 613.718 3.898 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866646873 JFXSLARWZCULHC-RUZDIDTESA-N 580.688 3.724 50 10 KHGE Cc1c(I)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1B(O)O 1887515579 OILGAZKRJIHXAA-UHFFFAOYSA-N 596.274 3.655 50 10 KHGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCCOCCOCCOCc2ccccc2)C1 2211319651 JQFAMQFWTAYCDH-VQTJNVASSA-N 535.419 3.676 50 10 KHGE COC(=O)C(C#N)=Cc1ccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OC)c1 2297497579 FJJOXWDOJDAHGD-HSZRJFAPSA-N 510.502 3.588 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2377092459 SOLNNQQOYFJCFE-HKARXFIJSA-N 519.730 3.973 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1I 100078369 RYEQZRWWGOITLX-UHFFFAOYSA-N 545.402 3.767 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(Br)c1 100195927 LNPQZXAFIDSEET-UHFFFAOYSA-N 531.226 3.568 50 10 KHGE Cc1cccc(Cl)c1OCc1ccc(/C=N/Nc2nnc(SCC(=O)NNC(=O)c3ccccc3)[nH]2)o1 253575445 UPGMAMRRSJVDIZ-RPPGKUMJSA-N 540.005 3.938 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084091371 ONUFJQIWWMPWTF-UHFFFAOYSA-N 534.638 3.594 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1OC 1772720633 USJLIYJKVAFVHY-UHFFFAOYSA-N 564.551 3.500 50 10 KHGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(I)cc1 2336539363 QREPMGFBFANONO-UHFFFAOYSA-N 500.999 3.727 50 10 KHGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2366240465 IMFVZZJOIQVJIZ-UZLBHIALSA-N 517.442 3.860 50 10 KHGE COc1cc(Br)ccc1OCC(=O)N/N=C1\C(=O)N(C)c2c(Br)cc(Br)cc21 1958545 IDOLJAPHSHTGEI-KQWNVCNZSA-N 576.039 3.858 50 10 KHGE COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1OC 32522877 JPVWMCLTFPULIQ-MZJWZYIUSA-N 519.583 3.840 50 10 KHGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 100318742 RIBZLRCWDKQABY-INIZCTEOSA-N 565.490 3.685 50 10 KHGE CC(=NNC(=O)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)NN=C(C)c3cccnc3)cc2)cc1)c1cccnc1 254698972 CVXUOCYMMSFNEY-ROJLCIKYSA-N 594.628 3.941 50 10 KHGE COC(=O)[C@@H](Br)COc1c(I)cc(Cl)cc1I 393844850 ZSQGXUMFOPJXHL-LURJTMIESA-N 545.336 3.865 50 10 KHGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1C 725383365 XVLFPCOSFISTHR-PMERELPUSA-N 619.769 3.617 50 10 KHGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)Nc3ccc(Br)cc32)cc1 2293561047 PSKZDUXAVVMNCE-UHFFFAOYSA-N 532.398 3.759 50 10 KHGE BrC[C@@]12COC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349858154 PABFGCLLHFDAKD-BXUZGUMPSA-N 501.000 3.897 50 10 KHGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1ccccc1 19651396 JXKHXJUQAMNAIY-YNCTYVJUSA-N 517.611 3.716 50 10 KHGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813655 WAOMCZSBDGKNOV-TURZUDJPSA-N 507.418 3.817 50 10 KHGE CCN(CC)c1ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(O)c1 254522550 DDODFARBHLVHDP-NTFUKSSRSA-N 500.555 3.888 50 10 KHGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2cc(I)cc(I)c2O)c1C#N 1083984636 DHEXPFWURRDRDG-UHFFFAOYSA-N 685.054 3.615 50 10 KHGE Cc1sc2ncn(CC(=O)NNC(=O)Cc3ccc(Br)s3)c(=O)c2c1-c1ccccc1 1860770101 SUNHNZXOHMDNBB-UHFFFAOYSA-N 517.430 3.648 50 10 KHGE COC[C@@](C)(CCBr)NC(=O)c1ccc(I)c(Br)c1 2101798986 GEXANYSBAOEBAT-CYBMUJFWSA-N 504.988 3.974 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2268652473 URMXITXPKWYXLY-CPJLOUKISA-N 506.795 3.912 50 10 KHGE BrC[C@@H]1CO[C@@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]12 2349826009 FUIQWYXBCOEZAR-JTNHKYCSSA-N 501.000 3.895 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355687347 ANLXKUURZBHOMU-XTWCZFFVSA-N 514.983 3.536 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 100082293 KGJSVKLISFFGRQ-UHFFFAOYSA-N 521.220 3.544 50 10 KHGE CC(C)C1=C/C(=N/S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@](C)(Br)[C@H](Br)C1=O 103726715 CYMLLQJWPBLHBV-BWXBNJGRSA-N 508.188 3.807 50 10 KHGE Cc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)NN=Cc2cccc(F)c2O[C@@H](C)C(=O)O)c1 1081159616 RWHKXGQZZBXRNU-AWEZNQCLSA-N 505.549 3.612 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)N3CCOCC3)cc2)c2cccc(Cl)c2C)cc1 1084340351 AXJCYFKLUJERIQ-UHFFFAOYSA-N 599.109 3.540 50 10 KHGE COc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)c1 1858990985 JOARMDFXHYAXEB-UHFFFAOYSA-N 510.597 3.751 50 10 KHGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)OC 2313567319 IVPPHNPLBKIDSE-UHFFFAOYSA-N 524.415 3.985 50 10 KHGE BrC[C@@]12COC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349858156 PABFGCLLHFDAKD-SMDDNHRTSA-N 501.000 3.897 50 10 KHGE Cc1ccc(OCC(=O)NN=Cc2cc(I)c(O)c(I)c2)cc1C 252635532 WXXVNTMDVMJQQC-UHFFFAOYSA-N 550.134 3.747 50 10 KHGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccco2)ccc1OC(=O)c1ccc(Br)cc1 254877717 OMXTUMVWJCNRNP-UHFFFAOYSA-N 514.332 3.540 50 10 KHGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)ccc1OC(C)=O 1084076021 PQGGFGLCNPAQFL-UHFFFAOYSA-N 514.170 3.983 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccccc1F)c1ccccc1 1084138937 AXYAVURTWBNCRB-UHFFFAOYSA-N 520.380 3.942 50 10 KHGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccncc5)c(C)c43)coc2c1C 1772751806 NEVFOOITUDGNAI-UHFFFAOYSA-N 513.554 3.820 50 10 KHGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCCc1ccccc1 1772760235 DNYPXNZBASFNJZ-GOSISDBHSA-N 531.638 3.758 50 10 KHGE Cc1sc2ncn(CC(=O)NNC(=O)Cc3ccc(Br)cc3)c(=O)c2c1-c1ccccc1 1860770134 UZRKWWLQIXYHFR-UHFFFAOYSA-N 511.401 3.586 50 10 KHGE Cc1nnc2sc(CCC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)nn12 1867042723 VTVAZPRWGVNQIE-IBGZPJMESA-N 509.592 3.505 50 10 KHGE O=C(COc1ccccc1Cl)NN=Cc1cc(I)cc(I)c1O 2297708299 UFCVWUDNHUSFFC-UHFFFAOYSA-N 556.525 3.784 50 10 KHGE COC(=O)COc1c(I)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 2313557184 WMPJKQHVNVAPSP-UHFFFAOYSA-N 559.360 3.599 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc2c(c1)OCO2 2313567456 HQIZMJLRCTWXOQ-UHFFFAOYSA-N 520.323 3.993 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 2379541628 PFMCGSHRVDOGEC-FQEVSTJZSA-N 529.672 3.972 50 10 KHGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)C1 33547397 HHZDLTCKSHTCGK-CVVHJZTLSA-N 529.597 3.727 50 10 KHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c(OC)c1 38656833 KHEFFIXJVAKDEK-RUZDIDTESA-N 503.467 3.815 50 10 KHGE COc1cc(C(=O)NNC(=O)c2ccc(Oc3ccc(C(=O)NNC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC 163322529 ZILJHPCHMNQKGM-UHFFFAOYSA-N 674.663 3.680 50 10 KHGE COc1ccc(CCNC(=O)c2cc3cccc(OC)c3oc2=NNC(=O)c2cccc(F)c2)cc1OC 254379821 JWSFFADRJRDYCY-UHFFFAOYSA-N 519.529 3.816 50 10 KHGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCC(=O)O 1084463492 FRTBSAGANINEMW-UHFFFAOYSA-N 508.268 3.663 50 10 KHGE CCC[C@@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867229308 SIUHQFXPSCCLJI-OAQYLSRUSA-N 506.625 3.722 50 10 KHGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2123205421 NGOCEVTZAXUVTK-GASCZTMLSA-N 504.244 3.975 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101337156 OHBDBGOTDAFSOD-RGXRWQALSA-N 571.659 3.561 50 10 KHGE CCOc1cc(C=NNC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)ccc1OCc1ccccc1 254683519 UZPWSUJILHJIAI-UHFFFAOYSA-N 541.626 3.598 50 10 KHGE COc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 1083995700 MNFYLEQQLHYLFZ-UHFFFAOYSA-N 515.563 3.506 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2350351020 AOHYVXDUFSWBNZ-AOMKIAJQSA-N 507.719 3.973 50 10 KHGE CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)NN=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 8451678 BUNBLIWQGMYAKY-RUZDIDTESA-N 518.526 3.807 50 10 KHGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccccc3)c(N3CCN(Cc4ccccc4)CC3)nc12 33350210 PNRXSMFTHANWDQ-PLRJNAJWSA-N 525.634 3.664 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc(OC)c1OC 38700412 WGRXKLQVDFRKBK-DQEYMECFSA-N 516.506 3.676 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 100087143 RZACRGISXOLBPX-UHFFFAOYSA-N 541.638 3.889 50 10 KHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 100113015 NBADUWLKLZKSQP-UHFFFAOYSA-N 546.649 3.839 50 10 KHGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207407 RGYLSKRDFSAKMG-UHFFFAOYSA-N 573.425 3.693 50 10 KHGE COC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100284182 XPIXJTSZCVFEED-OYPWENPISA-N 575.197 3.569 50 10 KHGE COc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1OC 254698441 IBASWRHOHMFJQR-UHFFFAOYSA-N 501.518 3.576 50 10 KHGE Cn1ncc([C@H](Cl)c2cc(I)cc3c2OCC3)c1I 381737500 AVYWCPHUVOYMAN-LLVKDONJSA-N 500.505 3.892 50 10 KHGE CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 1083953746 GHSLLRXMORJDJU-CPNJWEJPSA-N 528.403 3.655 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCC#N)c(I)c2)cc1 1084234154 UBCONQHUEWBJOI-IBGZPJMESA-N 507.328 3.556 50 10 KHGE COc1ccc2cc(C=NNC(=O)CN(c3ccccc3Br)S(C)(=O)=O)c(Cl)nc2c1 1084604192 OOOXKODQUWGXEM-UHFFFAOYSA-N 525.812 3.576 50 10 KHGE CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2049389295 CGEAPJPMSXLZSV-NGQVCNFZSA-N 731.760 3.661 50 10 KHGE CCc1cc(B(O)O)ccc1NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285034538 ARWLDXAQVXHUIL-HHHXNRCGSA-N 500.404 3.821 50 10 KHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 12502410 VXNKQTFNYUCMGK-UHFFFAOYSA-N 517.822 3.775 50 10 KHGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3[N+](=O)[O-])CC2)c1C 101493343 FDWQHZMRMDTSSG-UHFFFAOYSA-N 526.941 3.647 50 10 KHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 103557849 DYDLRDOATGJWGH-BKUYFWCQSA-N 519.355 3.701 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084324903 XXDNMJCISBUGRA-UHFFFAOYSA-N 553.637 3.931 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745199 TUGMDYUCDQIQBC-UHFFFAOYSA-N 554.357 3.804 50 10 KHGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(I)c1OC(C)=O 2297551570 RZVUJBCUJCJSOI-UHFFFAOYSA-N 525.230 3.818 50 10 KHGE N#CC(=Cc1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567097 GCEJLMTVBMRXJL-UHFFFAOYSA-N 596.219 3.773 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCC(=O)O)cc2Br)cc1 58895031 YCHBDZAFSQVJHW-YCCHBACSSA-N 523.380 3.674 50 10 KHGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1 254391408 AEZMDUUUWRBMSZ-UHFFFAOYSA-N 572.630 3.708 50 10 KHGE CC1(C)[C@]2(C(=O)N3CCN(C(=O)[C@]45CC[C@](C)(C(=O)[C@@H]4Br)C5(C)C)CC3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019064 IYHXNBAPKLPCLW-CGCIFUBKSA-N 600.392 3.975 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cc(OC)ccc1OC 1084421727 GNRNOYOILRTDFP-UHFFFAOYSA-N 592.463 3.940 50 10 KHGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)c1O 1865696637 PBDRJEYUGJKSMV-CQSZACIVSA-N 508.254 3.981 50 10 KHGE COC1CC(CBr)(NC(=O)c2cc(I)ccc2Br)C1 1899800303 XAMCKOAMWQOERK-UHFFFAOYSA-N 502.972 3.726 50 10 KHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](Br)[C@H](Br)C1 2075313793 GKMYTPYARQAMTJ-RKDXNWHRSA-N 526.870 3.743 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185299214 XXBDTEMIWDPVTF-AQUOVQTQSA-N 514.983 3.821 50 10 KHGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@H]4CCCO4)c(=O)oc3c2)cc1OC 2314751000 JLAHZSLXXGHBTE-OAQYLSRUSA-N 518.522 3.622 50 10 KHGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214283722 HAPUUHZBAYAVDU-DIBXZPPDSA-N 585.686 3.953 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)NN=Cc1cc(Br)ccc1O 254750457 AGYWITJPYBPIAV-UHFFFAOYSA-N 501.410 3.787 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772748989 ZWLCTEQFNFXTSL-UHFFFAOYSA-N 510.438 3.771 50 10 KHGE Cc1nc(I)c(I)n1CC(C)(C)CI 1893376804 OODXRZOHQRHGER-UHFFFAOYSA-N 529.929 3.862 50 10 KHGE C[C@H]([C@@H](Br)c1cc(Br)ccc1I)S(=O)(=O)N(C)C 2029075443 QXNYOSJVNQNGEA-RDDDGLTNSA-N 511.017 3.770 50 10 KHGE CCN1CC[C@@H]([C@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2142285286 NSSNCZUHTMXWBE-NWDGAFQWSA-N 523.028 3.914 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178085812 HRKKMEMZNAIMQE-BREBYQMCSA-N 514.983 3.536 50 10 KHGE Cc1c(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ccc(B(O)O)c1Cl 2268679077 CEYNEHFCBRQQPW-RUZDIDTESA-N 506.795 3.830 50 10 KHGE CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646571 CXYDDYNNVDWKJB-MHZLTWQESA-N 667.769 3.706 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)ccc1Br 100132850 ZIKRCSLUAJKMNN-UHFFFAOYSA-N 550.475 3.505 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 100215346 FGMMJUKXOOFCBO-UHFFFAOYSA-N 521.220 3.869 50 10 KHGE O=C(NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1)c1ccccc1I 100242054 HHMNYNCYDJFZFS-UHFFFAOYSA-N 545.402 3.862 50 10 KHGE CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H](CBr)O1 164339838 KXIWROMADYLWNW-SNVBAGLBSA-N 506.054 3.775 50 10 KHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253565852 IGIHKNNRZCVZSA-BHGWPJFGSA-N 530.954 3.788 50 10 KHGE Cc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 254288371 GVUDDWSBOVBMGN-UHFFFAOYSA-N 502.596 3.938 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2cc(Cl)ccc2O)nnc1-c1ccccc1Br 1084060568 UULCZMJWSZFEOR-UHFFFAOYSA-N 509.817 3.803 50 10 KHGE COc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 1084110658 ZQHZBYIFIKTZFB-UHFFFAOYSA-N 546.045 3.750 50 10 KHGE Cc1cc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084630198 CQSMWYZDIJUWLH-LJAQVGFWSA-N 640.187 3.962 50 10 KHGE CS(=O)(=O)SCCNC(=O)[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 1085210268 ACUCNTBNWRWVMU-OFYIWSMMSA-N 831.096 3.514 50 10 KHGE O=S(=O)(c1ccc(CBr)cc1Br)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2123268762 NLAFONWDJIZPRX-SJORKVTESA-N 500.256 3.991 50 10 KHGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)c1 10283747 BEAJTBDBTYPFRW-UHFFFAOYSA-N 514.829 3.852 50 10 KHGE C[C@@H]1[C@H](OC(=O)CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254841911 UZEOVNLCUPRZCB-XCJZNAOXSA-N 586.682 3.591 50 10 KHGE CC(CC(=O)Nc1ccc(Br)cc1)=NNC(=O)C(=O)NN=C(C)CC(=O)Nc1ccc(Br)cc1 1084216178 YRXJZIRGXZSGHZ-UHFFFAOYSA-N 594.264 3.553 50 10 KHGE O=C(Nc1c(I)ncnc1I)[C@H](Br)C1CCCC1 2057388992 MUXGDUCHLYOVLB-SSDOTTSWSA-N 535.949 3.578 50 10 KHGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2268678640 JINFOHDLHSRQCN-SSOJOUAXSA-N 506.433 3.511 50 10 KHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCc1ccccc1 2314476467 PBMZPZQAEVFADB-UHFFFAOYSA-N 553.644 3.784 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 100060109 BINKSVZBCSZCRE-UHFFFAOYSA-N 529.800 3.849 50 10 KHGE O=C(CCC(=O)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br)NCc1ccccc1 150388044 LMCWISFQXDYDPP-UHFFFAOYSA-N 622.339 3.862 50 10 KHGE C=CCOc1cccc(C=NNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)c1 1084063373 JMLTWYBNSDEGPJ-UHFFFAOYSA-N 509.584 3.614 50 10 KHGE COc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(C)(=O)=O 1866890570 DUHJJZFBCQTILK-NRFANRHFSA-N 527.599 3.791 50 10 KHGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)ccc1I 2178906221 IXNVMDAPIKZMKS-MNOVXSKESA-N 516.015 3.593 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2285028728 CQWGUKZPBXFENT-AVRWGWEMSA-N 520.460 3.901 50 10 KHGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2362886 ZMEKKMMAUGUOFY-XOYGFPHKSA-N 504.612 3.784 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 9696151 ORWGDCBLZRBCGH-UHFFFAOYSA-N 514.401 3.986 50 10 KHGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)ccc1OC(C)=O 12483028 PQGGFGLCNPAQFL-LSFURLLWSA-N 514.170 3.983 50 10 KHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C)c(I)c1 100093909 WQXGCCQXOGNGIV-CYBMUJFWSA-N 525.412 3.828 50 10 KHGE COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)CCNC(=O)c3ccccc3Br)cc2)cc(OC)c1OC 100869940 DCBGLHSQRCHTBN-UHBFCERESA-N 584.423 3.964 50 10 KHGE COc1cc(C=NNC(=O)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 252600279 DQHHMSYWDLYLPS-UHFFFAOYSA-N 614.440 3.701 50 10 KHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Br)cc1 1084628607 JXQSIUDKIDGPLP-UHFFFAOYSA-N 602.267 3.814 50 10 KHGE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1Cl 1866806928 DRMDCZKKJLZHEM-IBGZPJMESA-N 542.104 3.962 50 10 KHGE Cc1ccc(C=CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 2330910772 YUDDXJYHQAMOIA-UHFFFAOYSA-N 509.540 3.753 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C12CCCC2 2349641613 IESWVBUKWCMYBZ-JOCHJYFZSA-N 505.703 3.869 50 10 KHGE CCCN(CCC)CN1C(=O)C(=NNC(=O)Cc2ccc(OC)c(OC)c2)c2cc(Br)ccc21 254311250 OUGWAZJHASMNGR-UHFFFAOYSA-N 531.451 3.955 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3OCC(=O)O)n2-c2ccccc2)cc1OC 254600740 IQUJWZJNDSPKTB-UHFFFAOYSA-N 547.593 3.657 50 10 KHGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 725427029 OYBUFTHSHBTVHZ-UHFFFAOYSA-N 503.422 3.773 50 10 KHGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCC(=O)O 1083852544 MTBGRGPEEHIKKO-RQZCQDPDSA-N 559.360 3.900 50 10 KHGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1cc(I)ccc1Br 2101336266 GMVFNOUNAVDBTI-WPRPVWTQSA-N 502.972 3.584 50 10 KHGE O=C(NN=Cc1ccc(I)o1)C(=Cc1ccccc1O)NC(=O)c1ccccc1 2296733659 WYIMUCLRCKDNLY-UHFFFAOYSA-N 501.280 3.511 50 10 KHGE O=S(=O)(CBr)Nc1c(I)cc(I)cc1I 155808358 YHTUTHAPMDIHBO-UHFFFAOYSA-N 627.805 3.595 50 10 KHGE O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 254876443 YEBCDTHTIYBIIC-UHFFFAOYSA-N 581.635 3.676 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CCOC[C@@H]1CCBr 694884112 ZTLNWFVSDRIYOF-JTQLQIEISA-N 502.972 3.680 50 10 KHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(F)cc1 1084601960 NDLGHMDYOGMHDC-UHFFFAOYSA-N 504.381 3.929 50 10 KHGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@H]1C[C@@H]1Br 1991493210 ZQYXBVVQCIRCDA-OREJSRFESA-N 536.444 3.955 50 10 KHGE C[P@]1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 2177847186 LWWMOYBKRKJTOW-HQVAUKCESA-N 509.982 3.629 50 10 KHGE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)N(CCc4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 2294990353 OUDGXDDOTPOXKS-UHFFFAOYSA-N 529.574 3.606 50 10 KHGE O=C(CSc1n[nH]c(NN=C(Cc2ccccc2)Cc2ccccc2)n1)NNC(=O)c1ccc(F)cc1 20924070 YFPCUXXGKQSUOX-UHFFFAOYSA-N 517.590 3.750 50 10 KHGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 33561886 JUEKSPFJQJWQCB-GHXNOFRVSA-N 520.449 3.869 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1I 100098664 PUQPSUHJIWJORF-UHFFFAOYSA-N 561.401 3.681 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101341619 SVNJIQHTWKNPAU-PCLIKHOPSA-N 555.547 3.619 50 10 KHGE CC1=C(Br)C(=O)[C@@](C)(Br)[C@@H](Br)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 102967773 QUVPCCJRVQBBMH-XSSVRIRQSA-N 559.030 3.893 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084428872 ZAGZKZKIVJDNLQ-OAHLLOKOSA-N 510.536 3.524 50 10 KHGE COC(=O)COc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1OC 2313567617 IYQAKWXMWIIBIR-UHFFFAOYSA-N 506.296 3.706 50 10 KHGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2313620874 YPCRGAWUKQQKBF-XMMPIXPASA-N 563.057 3.935 50 10 KHGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(F)cc1 40657962 UWMHUVYCULPJET-UHFFFAOYSA-N 501.478 3.556 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)cc1 58892705 BRFZJSZYKSODLR-XNQWGTPPSA-N 512.344 3.671 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1 100077076 ILMPPECKYCYOGY-UHFFFAOYSA-N 535.645 3.888 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 100342012 BDFQKAVKZMQJRD-JFLMPSFJSA-N 524.002 3.630 50 10 KHGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1ccccc1F 1084649725 YBRFKCWBDBOVKP-UHFFFAOYSA-N 521.412 3.912 50 10 KHGE O=C(N[C@H](CC[S@](=O)C[C@H]1C[C@@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893201050 PQTQHOGUSYSKEM-QMVQKNLWSA-N 506.418 3.901 50 10 KHGE CCOC(=O)Cc1cc(I)c(I)c(CBr)c1 2055232475 ISVNPIHNIQKDGG-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201763805 QGFVIOPJLSARDD-QMTHXVAHSA-N 514.983 3.822 50 10 KHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039696 KEAORRZQZQICNJ-UHFFFAOYSA-N 520.611 3.832 50 10 KHGE O=C(NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1ccccc1Br 101492952 ZNQWCLFKMJFXHK-UHFFFAOYSA-N 522.319 3.814 50 10 KHGE COCCCNC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 1084291160 ZOPHWGKNPJLAQV-UHFFFAOYSA-N 595.505 3.889 50 10 KHGE O=C1[C@@H](Br)[C@@H]2Oc3c(cc(Br)c(O)c3Br)N[C@H]2C[C@H]1Br 1307331919 GUZLXPLSTAEBLP-YXNFOVCVSA-N 534.824 3.959 50 10 KHGE CC1(C)OC[C@H](NC(=O)c2ccc(Br)cc2I)[C@H]1Br 2142282765 IFLQEQSGFPCFBX-WDEREUQCSA-N 502.972 3.724 50 10 KHGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 101483936 HSGKGZCLGUNYCT-UHFFFAOYSA-N 584.442 3.988 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599613 BPWAEMNSKHEWOZ-YZSQISJMSA-N 554.357 3.804 50 10 KHGE Cc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)cc1Cl 1083852557 RNFFIJTXCQIIFY-UHFFFAOYSA-N 572.043 3.739 50 10 KHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 1084098427 QITUUMOZBNRXCP-UHFFFAOYSA-N 531.038 3.998 50 10 KHGE Cc1nc(I)c(I)n1-c1ncc(CBr)s1 1934276511 LGOBGXLLUPMCLO-UHFFFAOYSA-N 509.936 3.741 50 10 KHGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 58988124 AZVYMWBXZMKHJW-WGOQTCKBSA-N 502.556 3.909 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(I)c1 100193687 ZMNFVDGVOLPBPG-UHFFFAOYSA-N 592.253 3.800 50 10 KHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1CCCCC1 101013179 GGDWFKMUHMWLLG-NKFKGCMQSA-N 545.665 3.916 50 10 KHGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)c1 252607311 GZZATRMWTKJBBY-UHFFFAOYSA-N 518.570 3.735 50 10 KHGE CCn1c(CCn2nc(C)c([N+](=O)[O-])c2C)nnc1SCC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 254566007 BDIZPJSSKYSWDU-UHFFFAOYSA-N 581.615 3.981 50 10 KHGE Cc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)O)c1NS(=O)(=O)c1ccc(Cl)s1 675032201 UFWYMMLSZOTYCV-KSEXSDGBSA-N 507.977 3.738 50 10 KHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2ccc(I)c(Br)c2)C1 721510382 MZWUGXJCQFDJMH-UWVGGRQHSA-N 502.972 3.678 50 10 KHGE COC[C@@](C)(CBr)CNC(=O)c1cc(Br)ccc1I 1926999048 HMRIOKOGXMKEIN-ZDUSSCGKSA-N 504.988 3.831 50 10 KHGE C[C@H](Br)[C@H]1CN(C(=O)c2cc(Br)ccc2I)CCO1 2117530027 DUVDDSCUFLYQKT-QPUJVOFHSA-N 502.972 3.678 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2285006078 HFGYNMKSYRJHEW-HSZRJFAPSA-N 508.330 3.537 50 10 KHGE O=C(NN=Cc1ccc(O)c(I)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482933 CNASIGDGOBOYRT-UHFFFAOYSA-N 555.328 3.647 50 10 KHGE O=C(CNc1ccccc1I)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 2297710496 LWPVYPKNQYMVEW-UHFFFAOYSA-N 507.332 3.752 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 13976528 CYKHEUXWJNHGHR-UHFFFAOYSA-N 522.465 3.923 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)c(C)c1 14654218 FEUTTZWMYZNBIR-UHFFFAOYSA-N 508.438 3.815 50 10 KHGE C[C@@H](Br)c1cn(-c2cc(I)cc(I)c2)nn1 690362911 HKDVBEHZVFFUOQ-ZCFIWIBFSA-N 503.907 3.932 50 10 KHGE O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1Cl 1084135024 JMSYCSYMQAGJCA-UHFFFAOYSA-N 517.907 3.502 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1scc(C)c1B(O)O 2283963714 KFUUTCNWSWGDEH-MRDQGFSESA-N 520.460 3.648 50 10 KHGE COc1ccc(Br)cc1/C=N/NC(=O)CCCSc1nnc(CCc2ccccc2)n1N 58990353 GLGQXXWAMDKIOC-MFKUBSTISA-N 517.453 3.571 50 10 KHGE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 103920686 RTPQLRNJASUUHQ-JJIBRWJFSA-N 516.554 3.681 50 10 KHGE O=C(NC[C@]1(CBr)CCCO1)c1ccc(I)c(Br)c1 1879588972 MKIMGWGBSUQLPI-CYBMUJFWSA-N 502.972 3.728 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCC(=O)O 2313567406 JUXFHBWGIMYZJL-UHFFFAOYSA-N 514.376 3.567 50 10 KHGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 252634665 WQHWAVRERMFDNN-GWDDZQHXSA-N 553.325 3.713 50 10 KHGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 1084277839 FBCUQDYSDWKXTQ-UHFFFAOYSA-N 514.460 3.820 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCC(=O)OC)c(OCC)c2)cc1 1084489533 SAHAUCBPEPXMJO-FQEVSTJZSA-N 584.407 3.604 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2Cl)cc1)Oc1ccc([N+](=O)[O-])cc1 1859005293 NOFXRPNUVFCYJR-UHFFFAOYSA-N 503.920 3.698 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3[nH]2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859008960 UCORNRJVVGVTGZ-UHFFFAOYSA-N 508.512 3.526 50 10 KHGE CCOC(=O)Cc1ccc(CBr)c(I)c1I 2055233251 WVXJMFKSGBRKFT-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349642101 JGNYGRBRDYHNMF-KSFYIVLOSA-N 507.719 3.971 50 10 KHGE N#CC1=C(N)n2c(sc(=O)c2=Cc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1cccc(C(F)(F)F)c1 8448597 QIHFGAWELKOSQF-IBGZPJMESA-N 518.442 3.899 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OC 59676813 CPVASZXHDOLEDV-SFQUDFHCSA-N 503.340 3.564 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 100081432 DQQMFJGXSHSIHZ-UHFFFAOYSA-N 535.645 3.888 50 10 KHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 100101013 LYULDRZKDRWBKP-CYBMUJFWSA-N 525.412 3.828 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100202008 PUMUUOFWBZMQCF-UHFFFAOYSA-N 595.697 3.605 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC(=O)OC)c(I)c2)cc1 100235184 QWGNJHWRGMUUTM-AXKQXYKKSA-N 619.250 3.968 50 10 KHGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 101332968 LVVJTSNHRKXDLI-ZXVVBBHZSA-N 585.686 3.953 50 10 KHGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 214426352 ZQVUJJREJVPMLX-IWIPYMOSSA-N 538.560 3.856 50 10 KHGE NNC(=O)c1cc(COc2c(I)cc(Cl)cc2I)cs1 689156548 VZZANZCYRSVEAH-UHFFFAOYSA-N 534.544 3.793 50 10 KHGE CC(C)(CNC(=O)c1ccc(Br)cc1I)OCCBr 2142286078 XHHPQZHVYBERCH-UHFFFAOYSA-N 504.988 3.974 50 10 KHGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629884 FWHCDEJTFSWPSP-INIZCTEOSA-N 506.397 3.811 50 10 KHGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1OC 38658844 NFMMPGDSKKGBHS-DEOSSOPVSA-N 503.467 3.815 50 10 KHGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2[N+](=O)[O-])cc1 40628033 IPCLKROEVJHZBT-UHFFFAOYSA-N 519.971 3.569 50 10 KHGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214247556 VKWHLRSHCRKRKR-ONUIUJJFSA-N 571.659 3.561 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3ccncc3)n2-c2ccccc2)cc(OC)c1OC 254714030 JELXISBUIFNTEY-UHFFFAOYSA-N 518.599 3.988 50 10 KHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(=O)OC)cc2)c2ccc(C)cc2)cc1 1084077676 YGBLCIVKDDYEJD-UHFFFAOYSA-N 509.584 3.526 50 10 KHGE C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866635337 MVWUUJRNUFSHMC-KXBFYZLASA-N 544.058 3.893 50 10 KHGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1 58991870 BPWFNIGXZQPPAR-ZVHZXABRSA-N 503.426 3.843 50 10 KHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OC)c(I)c1 100093862 UGLTVJQXMAZPAY-ZDUSSCGKSA-N 541.411 3.528 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1I 100148667 QUYJKMGAQJAUEU-UHFFFAOYSA-N 541.411 3.674 50 10 KHGE COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 105056180 KNMNNPHPVKQPCG-AFUMVMLFSA-N 543.317 3.608 50 10 KHGE COc1ccc(C=NNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 252593670 BLJWWYASBFCUHZ-HSZRJFAPSA-N 522.583 3.794 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1 254741778 CVAAEQNDTIOJRW-UHFFFAOYSA-N 549.580 3.601 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3ccc4ccccc4n3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 263621985 XFMJRLJCUHDBBO-CVQPWVBUSA-N 573.690 3.663 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084196960 JYNZBMWGSKXLLM-SDQBBNPISA-N 538.254 3.904 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nnc1-c1ccccc1O 1084493067 RDNGKJYPSLCTMZ-UHFFFAOYSA-N 570.267 3.618 50 10 KHGE COc1cc(C=NNC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1OC 1772719689 MEYRANGKYHMDSF-UHFFFAOYSA-N 566.449 3.933 50 10 KHGE CN(C)CCCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866610586 BOZFHIIOGXHNTQ-AREMUKBSSA-N 555.660 3.787 50 10 KHGE Cc1cc(CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2285006526 IJKOUYSEPZJIAF-RUZDIDTESA-N 520.460 3.648 50 10 KHGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669705 ASXQCEBVAIRCAQ-UHFFFAOYSA-N 514.332 3.819 50 10 KHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccccc1I 100076905 RQSWWUFBXZNZRZ-SECBINFHSA-N 538.194 3.701 50 10 KHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 100181961 CYKXZCMVMUOMRF-UHFFFAOYSA-N 549.491 3.606 50 10 KHGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc(OC)c1O 254391480 FIJZUGHJQQQRED-AEMZTLSLSA-N 506.534 3.536 50 10 KHGE C#CCOc1ccc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 1084120406 NRMMDPGHIMXYKX-HXUWFJFHSA-N 506.340 3.666 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])c2cc(C)cc(C)c2)cc1OC 1084273266 HGLCKZIWHBFQBV-UHFFFAOYSA-N 526.571 3.574 50 10 KHGE O=C(NC1(CBr)CCOCC1)c1ccc(Br)cc1I 2142285576 QZLNRRAHTLCSTJ-UHFFFAOYSA-N 502.972 3.728 50 10 KHGE O=C(NC[C@]1(CBr)CCCOC1)c1ccc(Br)cc1I 2207274767 FJFVLQLGVOKCKN-CQSZACIVSA-N 516.999 3.975 50 10 KHGE COc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 14006391 FRJCBZIUVVBMGG-LBPRGKRZSA-N 516.186 3.522 50 10 KHGE COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1OC 35404678 MZWRXSAGULNMKD-BWAHOGKJSA-N 513.594 3.707 50 10 KHGE O=C(NN=Cc1cc(C=NNC(=O)c2ccccc2)cc(C=NNC(=O)c2ccccc2)c1)c1ccccc1 254309355 OHVWRNKTFRTYCX-UHFFFAOYSA-N 516.561 3.978 50 10 KHGE COc1ccc(CC(=O)NN=C2C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3ccccc32)cc1OC 254798476 TUYKYKQFTDBPDV-HSZRJFAPSA-N 513.598 3.693 50 10 KHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2ccc(Br)cc2I)C1 2142285108 LMMQIRXKJUXNMB-UWVGGRQHSA-N 502.972 3.678 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)Nc1ccccc1 100081355 ZMAQBWDCMUPPQC-UHFFFAOYSA-N 516.215 3.626 50 10 KHGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Br)cc4)c(C)c32)cc1 101604202 SWCMXWXUMNWQCY-ZXVVBBHZSA-N 539.386 3.904 50 10 KHGE CCOC(=O)Cc1cc(I)cc(CBr)c1I 2055232893 NUCIAQRMJGVEMG-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1C 10154391 VHKITIAYXRDUKU-HNNXBMFYSA-N 508.438 3.956 50 10 KHGE O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 53392461 BVTCWAPRBLKZJX-VXPUYCOJSA-N 579.638 3.932 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100082914 PVDVWCQUYDXYSW-UHFFFAOYSA-N 559.280 3.562 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 100203187 QUNHZZMMIVXRJJ-UHFFFAOYSA-N 558.454 3.856 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612287 FMRAKPZSMXXGFY-OGLMXYFKSA-N 530.368 3.600 50 10 KHGE COc1ccc(/C=C/C(=O)NCC(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C\c2ccco2)cc1 252642548 ZNMVGAGIAADOLF-AYLQGDCZSA-N 552.381 3.949 50 10 KHGE Nn1c(SCC(=O)NN=Cc2ccc(Cl)cc2Cl)nnc1-c1ccccc1Br 1084261214 WKOWNRZKFWSAKT-UHFFFAOYSA-N 500.209 3.971 50 10 KHGE N#CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084366046 WLGGBJMTVXROHO-QGZVFWFLSA-N 542.171 3.920 50 10 KHGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCC(=O)N1CCOCC1 1772754952 BZKRPZUIBMDTQI-UHFFFAOYSA-N 540.667 3.689 50 10 KHGE COC[C@](C)(CBr)CNC(=O)c1ccc(I)c(Br)c1 1926978287 FKBNXZIIFWANQD-CYBMUJFWSA-N 504.988 3.831 50 10 KHGE O=C(CCl)c1ccc(I)c(I)c1I 2054975741 ZNEAVALRONGPRT-UHFFFAOYSA-N 532.284 3.922 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C(C)=C(C#N)C1=O 2314620604 SJRYUKOBGMTVBH-UHFFFAOYSA-N 555.547 3.619 50 10 KHGE O=C(Oc1cccc(/C=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c1)c1cccc(Br)c1 35982667 WUOYZBKFVWBCHY-VXPVFZLISA-N 506.356 3.648 50 10 KHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 100082777 NJUQABSLPYGBMH-UHFFFAOYSA-N 537.779 3.878 50 10 KHGE CCCOc1ccc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OCC 1084241775 IBJVWBVZLCHDKQ-UHFFFAOYSA-N 501.527 3.809 50 10 KHGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)CN3CCOCC3)cc2Br)cc1 1084351790 FZUXAYXQVXVRJZ-UHFFFAOYSA-N 525.241 3.881 50 10 KHGE COc1ccccc1C=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 1084450151 BDKIUHZWTWBELB-UHFFFAOYSA-N 502.390 3.803 50 10 KHGE Nn1c(SCC(=O)NN=Cc2ccc(Cl)cc2Cl)nnc1-c1ccc(Br)cc1 1084624700 NEEHDCDYFYNHEI-UHFFFAOYSA-N 500.209 3.971 50 10 KHGE Cc1nc(I)c(NC(=O)[C@H](Cl)c2ccccc2)c(I)n1 2178366751 AMFYSXDDUAAIIO-SECBINFHSA-N 513.504 3.913 50 10 KHGE C=CC[C@]1(CBr)CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2287847061 SJXCYJOBQSPGFN-NHCUHLMSSA-N 501.418 3.536 50 10 KHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1Br 14645972 MYNVVIFRJRNHAE-UHFFFAOYSA-N 509.382 3.732 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1 100081158 JACQVYPXJOELOG-JTQLQIEISA-N 521.220 3.624 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 204468018 KHVLHRYSOPSVJR-VGYLUTEMSA-N 509.756 3.623 50 10 KHGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668640 KQLMZHVBEHLTOJ-UHFFFAOYSA-N 507.410 3.534 50 10 KHGE COc1ccc2oc(=O)c(C(=O)Oc3ccc(/C=C(\C#N)C(=O)NCc4ccco4)cc3OC)cc2c1 40949565 WULZDPUDTKXVRJ-VCHYOVAHSA-N 500.463 3.846 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2C)c(Br)c1 100088074 MGXKZWBUHKLQAF-UHFFFAOYSA-N 559.280 3.562 50 10 KHGE CC1(C)[C@]2(C(=O)NNC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 100922181 BEFXHGRXLPDPLG-LVXYFWQTSA-N 599.158 3.942 50 10 KHGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)c2C)cc1 103123874 OVNUQDVTDYWTNM-MOSHPQCFSA-N 530.537 3.672 50 10 KHGE COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1OCn1cccn1 103929079 FCOZNTSSWARPPX-MUFRIFMGSA-N 540.609 3.813 50 10 KHGE O=C(Cc1ccc(Cl)cc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859005253 LMSCWCIBQIREOR-UHFFFAOYSA-N 535.937 3.766 50 10 KHGE Cc1cc(C)cc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 13981009 MNTBLLDQASNUAG-UHFFFAOYSA-N 500.187 3.742 50 10 KHGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067481 ZFMYHRJYGJFLEU-UHFFFAOYSA-N 532.786 3.884 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101337158 OHBDBGOTDAFSOD-NHVVDLMHSA-N 571.659 3.561 50 10 KHGE Nc1c(I)cc(I)c(CCl)c1I 167533516 YTDOYYPORSPYKL-UHFFFAOYSA-N 519.289 3.821 50 10 KHGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc(OCC)c1OCC 207177927 VZYLKYDLGWMMDT-STZFKDTASA-N 524.570 3.876 50 10 KHGE CCN(CC)c1c(/C=N/Nc2nnc(SCC(=O)NNc3ccc(F)cc3)[nH]2)c(C)nn1-c1ccccc1 253576236 VOIFQMNNBRKJPD-JFLMPSFJSA-N 536.641 3.966 50 10 KHGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2cc(I)c(O)c(I)c2)c1C#N 1084059844 SFPZMMHBFFIWPC-UHFFFAOYSA-N 685.054 3.615 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)ccc2OC)Cc2ccccc2)cc1 1084418928 DZSZZMQYSNEHFQ-UHFFFAOYSA-N 546.443 3.808 50 10 KHGE C[C@H](CCCCCI)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2054155992 VMKBIVKYIXOECK-MRXNPFEDSA-N 520.433 3.756 50 10 KHGE COc1ccc(OC)c(C=NNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 2297672278 ZKLGANXWWPVVLS-QHCPKHFHSA-N 567.580 3.702 50 10 KHGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316821368 FGVFMADRRQJUEM-MAUKXSAKSA-N 520.433 3.612 50 10 KHGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCC(=O)N/N=C1/C(=O)N(CC(C)C)c3ccc(OC)cc31)C(=O)N2CC(C)C 100870245 KIZUDDGMZXWVBE-CRHVBUSDSA-N 604.708 3.610 50 10 KHGE CC(C)CNC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084103406 SDMNVXNLDRJTBZ-UHFFFAOYSA-N 531.034 3.546 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2379880879 WODWCRKWDYPLST-VWLOTQADSA-N 508.330 3.537 50 10 KHGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 14031841 XUMZBIHAFZJAOH-LJQANCHMSA-N 507.612 3.585 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 100080150 QOPFALZYOOYEAP-UHFFFAOYSA-N 541.427 3.968 50 10 KHGE CC(C)CN1C(=O)/C(=N\NC(=O)CCCCC(=O)N/N=C2\C(=O)N(CC(C)C)c3ccccc32)c2ccccc21 102114550 FOPJBJYBJANMGB-YSBSNMNTSA-N 544.656 3.593 50 10 KHGE COC(=O)[C@@H](Br)COc1c(I)cc(I)cc1I 160400737 RRJUQTAGSVCOPV-LURJTMIESA-N 636.787 3.816 50 10 KHGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 725428133 PSDHVYWWLWFNFP-HXUWFJFHSA-N 537.407 3.762 50 10 KHGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1084459133 PWZNQKOYZGNBPP-UHFFFAOYSA-N 530.002 3.546 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CCOC[C@@H]1CCBr 2142289878 VMIUTZMKHQIQPE-JTQLQIEISA-N 502.972 3.680 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201763806 QGFVIOPJLSARDD-YGRLFVJLSA-N 514.983 3.822 50 10 KHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)c(C)c2)c1 12573629 MUAMTBVUHRZMRS-UHFFFAOYSA-N 508.438 3.669 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)ccc1Cl 14660325 RRPPXCWYBLWHHF-UHFFFAOYSA-N 514.829 3.913 50 10 KHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 100112987 VTCVVIPSLSJGBY-UHFFFAOYSA-N 572.481 3.959 50 10 KHGE CCOc1cccc(C(=O)NNC(=O)c2csc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)c1 107487793 GJXMKDCDMUWPPC-UHFFFAOYSA-N 510.591 3.704 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1 1084028578 PDNLKPWZLPIRLH-UHFFFAOYSA-N 560.426 3.590 50 10 KHGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3c2OCCO3)c2ccc(C)cc2)cc1 1084042900 OEOAXGXYCDQZKB-UHFFFAOYSA-N 511.625 3.834 50 10 KHGE C[C@@H]([C@H](Br)c1cc(Br)ccc1I)S(=O)(=O)N(C)C 2029075441 QXNYOSJVNQNGEA-CPCISQLKSA-N 511.017 3.770 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)NNC(=O)COc2cccc(F)c2)cc1OC 2042442863 OJLPDBXAVBLKGT-UHFFFAOYSA-N 516.529 3.935 50 10 KHGE C=C[C@]1(CBr)COCCN1C(=O)c1ccc(I)c(Br)c1 2199857219 XZALVRLWXNCDAJ-AWEZNQCLSA-N 514.983 3.846 50 10 KHGE Cc1sc(CN(C)C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(B(O)O)c1C 2283942071 DMWPFVMUSIAGEB-SANMLTNESA-N 520.460 3.566 50 10 KHGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 2313653092 OHOUQKKWTXSNCF-UHFFFAOYSA-N 503.205 3.870 50 10 KHGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)cc1 100079195 QYYZWEGNSXCANT-UHFFFAOYSA-N 529.416 3.665 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598890 GNBZFDOKYNHRAN-YZSQISJMSA-N 509.906 3.695 50 10 KHGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 214425921 TWUDWXAFWYQBTD-IWIPYMOSSA-N 525.521 3.993 50 10 KHGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(SC)cc1 254407204 HAJFPBKHHOCCSX-UHFFFAOYSA-N 527.624 3.882 50 10 KHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1 1772746841 HVFFRGVXGKPSDW-UHFFFAOYSA-N 524.375 3.599 50 10 KHGE CCCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866810114 WQZVZVKICIEGGV-QFIPXVFZSA-N 516.645 3.696 50 10 KHGE O=S(=O)(C[C@H](Br)c1cc(I)ccc1Br)N1CCCC1 2089389301 NEMDAOFKWUPTGE-LBPRGKRZSA-N 523.028 3.915 50 10 KHGE C[C@H]1C[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 2333224452 YPDNOVWUTMHAKI-KTEGMLPHSA-N 537.436 3.840 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 2343816796 FKLCRPJYNMMSAX-MYYSRTQBSA-N 526.851 3.651 50 10 KHGE O=C(NCC(F)(F)C(F)(F)CI)c1ccc(F)cc1I 2361680296 WJQASZLWMDWCMY-UHFFFAOYSA-N 518.989 3.866 50 10 KHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334192 XRHKVLCWZVUOEW-UHFFFAOYSA-N 504.612 3.996 50 10 KHGE N#CCOc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 100452994 VNHPYZQRTDPVKC-QWUOEIFBSA-N 589.171 3.762 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)c(OC)c3C(=O)O)n2-c2ccccc2)cc(OC)c1OC 254403199 NKHLAAXDXCTFSG-UHFFFAOYSA-N 607.645 3.918 50 10 KHGE BrCc1c(-n2cnc(I)c2I)nc2ccccn12 310796460 WQPNQQCYDDMZEC-UHFFFAOYSA-N 528.917 3.624 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(OC)c2OC)c2cc(C)cc(C)c2)cc1OC 1083974548 OZACOXGHJMGCFI-UHFFFAOYSA-N 541.626 3.683 50 10 KHGE CCOc1cc(C=NNC(=O)COc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720670 VQETVPNXKMZOCZ-UHFFFAOYSA-N 508.527 3.859 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc(Br)c1O 1865688840 CHCGNHDTQPRFGM-AWEZNQCLSA-N 508.254 3.981 50 10 KHGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 1873792742 OPUHJLBCYPKTNE-LGJNPRDNSA-N 507.344 3.594 50 10 KHGE CCN1CC[C@@H]([C@@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2089523880 QWWHYEANZPBVKY-RYUDHWBXSA-N 523.028 3.914 50 10 KHGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H](CBr)O1 2142286137 XXWSGTCMGPKEKX-PSASIEDQSA-N 502.972 3.678 50 10 KHGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 2301120962 QIZIATJONICDMG-GFCCVEGCSA-N 524.051 3.997 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 14655750 VZMZVKSIWLGWAT-UHFFFAOYSA-N 502.390 3.716 50 10 KHGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc(Cl)cc4)c(C)c32)cc1 40815296 BUZAOZWQQILQHL-LGUFXXKBSA-N 514.991 3.644 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100228339 QDODHUROTISSCL-UHFFFAOYSA-N 533.448 3.926 50 10 KHGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21)c1ccc(OCc2ccccc2)cc1 254832796 OEAKBJQCBURGCM-UHFFFAOYSA-N 563.622 3.918 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 1084632403 BAXNSLVMHALDHP-UHFFFAOYSA-N 547.387 3.712 50 10 KHGE COc1ccc(-n2nncc2C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866926788 YDKKBZXHXXMCSU-RUZDIDTESA-N 556.604 3.754 50 10 KHGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cc(OCC)c(O)cc2Br)sc(C(N)=O)c1C 2297616649 YRYLGIRUZACELW-UHFFFAOYSA-N 522.377 3.745 50 10 KHGE CC(C)(C)OC(=O)N1C(=O)[C@H]2C[C@H]1[C@@H](I)C[C@@H]2NC(=O)OCc1ccccc1 2297731573 JESNUBIUQOQQRA-VGWMRTNUSA-N 500.333 3.641 50 10 KHGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297734952 SKJHBFMFRXMPJL-UHFFFAOYSA-N 510.510 3.716 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@H]2C[C@H]1C[C@H]2NC(=O)OC(C)(C)C 2350361852 UXXQDTRUXYKFGZ-IGMOGCDKSA-N 505.703 3.629 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 12502744 NWFHBBYQADJMSI-UHFFFAOYSA-N 512.429 3.990 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 100079894 YRXWALRHVONIIM-NSHDSACASA-N 535.247 3.933 50 10 KHGE NNC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 100562358 NTUIUTBKQRWXKR-AHWVRZQESA-N 580.483 3.858 50 10 KHGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 725404738 URPYUXDXDKZWDN-LJQANCHMSA-N 507.381 3.754 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2c(F)cccc2Cl)cc1 725406392 LLSVLBHDXLQJGH-UHFFFAOYSA-N 531.009 3.821 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCCN1CCOCC1 1865687260 NFTDWACXBWOGAM-RUZDIDTESA-N 522.005 3.772 50 10 KHGE O=S(=O)(C[C@H](Br)c1ccc(I)c(Br)c1)N1CCCC1 2089394014 QRACVCDKJTWSFL-NSHDSACASA-N 523.028 3.915 50 10 KHGE COC(=O)C(C#N)=Cc1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OC)c1 2297497580 FJJOXWDOJDAHGD-QHCPKHFHSA-N 510.502 3.588 50 10 KHGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314737980 DVQSUAATTWFESU-UHFFFAOYSA-N 503.555 3.889 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccccc2OCCC(C)C)cc1 14034432 QDZPYBWPILSATR-UHFFFAOYSA-N 500.621 3.565 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100228306 IGWLCJXPVKNPLM-VIFPVBQESA-N 521.220 3.868 50 10 KHGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254838016 FWJZZIBEJBCKGH-UHFFFAOYSA-N 645.505 3.579 50 10 KHGE O=C(COc1ccc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 1084570942 MVYKHEORRQJHKK-UHFFFAOYSA-N 601.641 3.636 50 10 KHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14016298 FOFQQYFZZWLSBL-HXUWFJFHSA-N 513.660 3.947 50 10 KHGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 100079300 VSNDELQDJLFKHS-UHFFFAOYSA-N 541.427 3.665 50 10 KHGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NC[C@@H]1CCCO1 102688063 HRCRNFLLZYIRMD-YHHBSCGTSA-N 531.638 3.526 50 10 KHGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccccc3F)[C@@H]2C)c(OC)c2c1OCO2 254512572 ADUZNBAZZCQJMS-MGPLVRAMSA-N 508.300 3.548 50 10 KHGE COc1c2c(c(Br)c([C@H]3ON=C(C(=O)NN=Cc4cccc(F)c4)[C@@H]3C)c1OC)OCO2 254590269 XLXUQUYSHFXAIM-QFYYESIMSA-N 508.300 3.548 50 10 KHGE COc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3ccc(OCCOc4cccc(OC)c4)cc3)s2)cc1 254712807 FTFAYUTZOKSNQD-UHFFFAOYSA-N 561.620 3.958 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 1083910293 RRWOUBPIAWWYHS-UHFFFAOYSA-N 576.204 3.554 50 10 KHGE N#Cc1ccccc1COc1ccc(C=NNC(=O)[C@@H](O)c2ccccc2)cc1I 1084074439 VGCJDFBVGLINBF-QFIPXVFZSA-N 511.319 3.926 50 10 KHGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(Br)cc3)cc2)cc1 1084438833 NTIDLXKXDMUGIJ-UHFFFAOYSA-N 509.360 3.864 50 10 KHGE O=C(COc1ccccc1Cl)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858957267 QBIFBZZQGKLBII-UHFFFAOYSA-N 537.909 3.560 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2269559725 XVBLLFMGROXHSF-RUZDIDTESA-N 506.795 3.912 50 10 KHGE C#CCN1C(=O)C(=NNC(=O)C(=Cc2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2cc(Br)ccc21 2295170687 BTEDYCDETWQDKI-UHFFFAOYSA-N 587.430 3.738 50 10 KHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(Br)cc3)nc12 2296720861 GZNFPQRHXGLPIV-IBGZPJMESA-N 509.360 3.760 50 10 KHGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl 2314475761 BUQJMTYRUZODJU-FQEVSTJZSA-N 511.003 3.802 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2350353506 JYGJKRQJJFESDK-HZPDHXFCSA-N 505.703 3.582 50 10 KHGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3ccccc3)cc2OC)cc1OC 33959244 YSYMXOXQTVGZGG-UXHLAJHPSA-N 519.554 3.592 50 10 KHGE COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)COc1ccc(Br)cc1Br 40877837 KSLBANJIWKYRMJ-WUXMJOGZSA-N 510.138 3.597 50 10 KHGE CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 97990556 FZGUHJBKCNIVJU-JZJYNLBNSA-N 507.568 3.912 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC#N)c(OC)c2)cc1 100237556 DGXMOOIIPUUQIE-LPANUZLBSA-N 537.354 3.565 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1OC 1084619028 HDRFMGSIKXEMGS-UHFFFAOYSA-N 539.610 3.623 50 10 KHGE CCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C=NNC(=O)CCCO)(c5ccccc54)[C@@H]3C2=O)cc1 1084645011 WQLZVODARQYNNY-BDELYBFDSA-N 523.589 3.511 50 10 KHGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 2324406298 DZWGVFLDYVNEPO-UHFFFAOYSA-N 514.913 3.838 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2355687346 ANLXKUURZBHOMU-RLCGTCKNSA-N 514.983 3.536 50 10 KHGE CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=S)Nc1ccc(N=C=S)cc1 197575315 HBAYEVATSBINBX-UHFFFAOYSA-N 752.961 3.684 50 10 KHGE in-vitro C[C@@H]1[C@H](OC(=O)CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 254841908 UZEOVNLCUPRZCB-QDYZIABKSA-N 586.682 3.591 50 10 KHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 1084001980 RGFPKWLBNBDWEF-UHFFFAOYSA-N 548.543 3.639 50 10 KHGE CCOC(=O)c1c(N)sc(C(C)=NNC(=O)CCCCC(=O)NN=C(C)c2sc(N)c(C(=O)OCC)c2C)c1C 1084061998 SCBXRDSYLOWANE-UHFFFAOYSA-N 592.744 3.885 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C(C)c1ccccc1O)c1ccccc1 1084333786 RKAKWHJNKGMCHK-UHFFFAOYSA-N 532.416 3.899 50 10 KHGE CCOc1cc(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720747 XJVJQJMNKFIBKT-UHFFFAOYSA-N 568.495 3.911 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866808572 XOUYNVBIINOQLN-VWLOTQADSA-N 550.662 3.748 50 10 KHGE OC[C@@H](Br)c1cc(I)cc(I)c1I 1951668832 YUZSISSJKFWXAC-ZCFIWIBFSA-N 578.751 3.929 50 10 KHGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1cc(I)ccc1Br 2206484507 JGFOBRYWHIYVPN-NWDGAFQWSA-N 514.983 3.869 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296359826 HZENYJLUWATCNM-GXTWGEPZSA-N 514.983 3.680 50 10 KHGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1Cl 14668686 WAPUWPYNDJQORD-UHFFFAOYSA-N 500.802 3.604 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100201831 VPVLQQKNCPNKHU-NSHDSACASA-N 565.273 3.884 50 10 KHGE COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 104955325 YCEHEQHSBRKWLN-PDGQHHTCSA-N 529.578 3.902 50 10 KHGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)cc1 254559246 SRJBFILIERLVKY-UHFFFAOYSA-N 572.618 3.646 50 10 KHGE CCOc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254876909 IXPGXBNFLGBILR-GGAORHGYSA-N 560.651 3.656 50 10 KHGE Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1C 1858955054 IUCOPXSRBAJSNL-UHFFFAOYSA-N 501.492 3.758 50 10 KHGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1ccc(Br)cc1I 2279407026 IDNGJRKSTZHQIL-GXSJLCMTSA-N 516.999 3.974 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc(Br)cc3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642404 BBIBEWFLADSSMB-GXXKAFGISA-N 601.538 3.878 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cc(Br)ccc3O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642422 CZMITVFZEVPIFM-LUROOHPNSA-N 617.537 3.583 50 10 KHGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999180 GIRKXZDREPHMDX-UHFFFAOYSA-N 519.623 3.711 50 10 KHGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Br)cc1 14644360 AXGHPXXDAJTHPV-SNVBAGLBSA-N 506.578 3.859 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)ccc1OCC(=O)O 33670282 NUSKQXIICWLROL-UYRXBGFRSA-N 521.551 3.814 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OCC)c2)cc1 58894960 PBAIJVPOCLJDDY-WEPUMBSASA-N 523.380 3.674 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(O)c(OCC)c2)cc1 58894993 NMWFFSKLOAQVER-QRAWFLTRSA-N 512.344 3.758 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101336397 IWCFRJHDOBHHOP-JVWAILMASA-N 578.654 3.977 50 10 KHGE C[C@@H]([C@@H](Br)c1ccc(Br)cc1I)S(=O)(=O)N(C)C 2086149685 QTRVRBXNAVWQDC-WRWORJQWSA-N 511.017 3.770 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C=Cc1cccs1 2313620159 RXAHDMRCGYHCCM-UHFFFAOYSA-N 533.267 3.696 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039668 CBCKKWKBLAESIN-UHFFFAOYSA-N 507.612 3.982 50 10 KHGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(=O)O)cc3)nnc2-c2cccnc2)cc1 254792391 XSRGWHHQPQZRHH-UHFFFAOYSA-N 502.556 3.669 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCCN1CCOCC1 1865687663 XIWKHHWSCYHAHU-VWLOTQADSA-N 522.005 3.772 50 10 KHGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2131197116 GHWABGAVDDELLE-GJZGRUSLSA-N 504.244 3.832 50 10 KHGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C(C)=C(C#N)C1=O 2314620198 MIKFVUFMUFCSOW-UHFFFAOYSA-N 511.494 3.603 50 10 KHGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c1 2314620963 XISCFNVMPFTAIF-UHFFFAOYSA-N 540.576 3.720 50 10 KHGE O=C1Nc2ccc(I)cc2/C1=N/NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 713657 UPOOXNHBGOGQOK-DEDYPNTBSA-N 536.329 3.535 50 10 KHGE COc1ccc(C=NOCC(=O)NN=C2C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3ccccc32)cc1OC 254668920 IIIUHZYICRDADM-DEOSSOPVSA-N 556.623 3.501 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2OC)cc1 254839915 PKSSTLJQLAXOBV-UHFFFAOYSA-N 532.578 3.824 50 10 KHGE COC(=O)[C@@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 255984428 KXTNIKNREDJJSO-RMRNXIRCSA-N 583.387 3.956 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCCCN1CCOCC1)[C@H]2Br 256019780 DJLACTNXEGNFMQ-ZLIFDBKOSA-N 531.127 3.511 50 10 KHGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1OC 1772744198 BBJNKHQAFMGXFQ-UHFFFAOYSA-N 520.542 3.956 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3OC)cc2OC)cc1 254817434 WKXHIFKGPAPOKV-UHFFFAOYSA-N 505.527 3.801 50 10 KHGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 254848102 BXBPGVHYMPJNIR-UHFFFAOYSA-N 504.568 3.654 50 10 KHGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865687505 SPAAFBKCWLIBPJ-XMMPIXPASA-N 501.587 3.508 50 10 KHGE Cc1c(CN=[N+]=[N-])cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1B(O)O 1887521411 KSXBUPNBILJGOB-UHFFFAOYSA-N 511.391 3.865 50 10 KHGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 1962722024 MVCXKUUXYXJBRA-UHFFFAOYSA-N 536.489 3.622 50 10 KHGE Cc1cccc(C)c1OCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 13981081 PFNQPSWRRFWSCD-UHFFFAOYSA-N 500.187 3.742 50 10 KHGE COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OCCSC)cc1)S(=O)(=O)c1ccccc1 33354748 GHHRLNMQAZLGRM-STBIYBPSSA-N 606.122 3.979 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)c(Br)c1 100060096 AOMVLXQXHPZZIX-UHFFFAOYSA-N 519.215 3.643 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 100203286 FSNIUQMWVCKXKB-UHFFFAOYSA-N 585.480 3.984 50 10 KHGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 150411532 RCAYTISJCRIUOD-QTMOJHABSA-N 667.769 3.706 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)NN=Cc1ccncc1 252637634 XUVXSKLYGANBJB-UHFFFAOYSA-N 526.640 3.619 50 10 KHGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 254522013 PDAXHDBRXRKZRK-UHFFFAOYSA-N 503.555 3.973 50 10 KHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)cc1C 1084024984 OCTZFXNWNOMYHQ-WJOKGBTCSA-N 633.796 3.925 50 10 KHGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cccc(Br)c3)cc2)cc1 1084059164 DZJKEUMWKMMGFN-UHFFFAOYSA-N 525.359 3.564 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2281761622 BSGJFDAFLKCOLR-UHFFFAOYSA-N 500.467 3.761 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(C)cc1B(O)O 2283968768 GNDZLPMLKMSVOD-QUGAMOGWSA-N 520.460 3.648 50 10 KHGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)cc1 2296732266 ORBLFZWBHZXJOM-UHFFFAOYSA-N 511.607 3.668 50 10 KHGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 58988723 UIPTXCCFBUEIHA-ZMOGYAJESA-N 502.442 3.510 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)c(Br)c1 100087344 BDDHCDXKMQMLSN-UHFFFAOYSA-N 579.698 3.907 50 10 KHGE CC(C)COc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1 100139320 IUQHVPSJFZPZQC-UHFFFAOYSA-N 526.634 3.539 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1Br 100215462 PROXGBMYSCTXJG-UHFFFAOYSA-N 545.253 3.633 50 10 KHGE Cc1ccc(S(=O)(=O)/C=C(/CCl)N2CCN(/C(CCl)=N/S(=O)(=O)c3ccc(C)cc3)CC2)cc1 101783751 TYGIELWYAPFTML-MYGCFCGXSA-N 544.526 3.801 50 10 KHGE O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S 104286979 SDVWZIDCNZKCMX-NFLUSIDLSA-N 594.812 3.840 50 10 KHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)ccc1OC(C)=O 254834284 AYXVWPXKEINBOC-UHFFFAOYSA-N 516.579 3.870 50 10 KHGE CCN1CCN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)CC1 256018938 BCGYXFXPGICFBS-XFBWCDHKSA-N 501.101 3.836 50 10 KHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCC(=O)c4ccc(C)cc4C)c(=O)c23)cc1 1865845274 PCFJKSARGSAQSI-UHFFFAOYSA-N 502.596 3.861 50 10 KHGE O=C1CC[C@@H](N2C(=O)c3cccc(NC(=O)CCCCCOCCOCCOCCCCCCI)c3C2=O)C(=O)N1 2080389404 QZIUVZMTAVRENH-HSZRJFAPSA-N 685.556 3.632 50 10 KHGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)ccc1OC(=O)N1CCOCC1 9489999 NSKHRLCSYITXRT-JOCHJYFZSA-N 517.542 3.533 50 10 KHGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(C)c(I)c2)c(Br)c1 12493030 OOIZYFPJIQNXFB-UHFFFAOYSA-N 503.134 3.511 50 10 KHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2Br)cc1 14832348 NXULABNPZRWNDS-OAHLLOKOSA-N 507.381 3.745 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)ccc1Br 100081869 DLOOBBPQVMWLNU-UHFFFAOYSA-N 541.855 3.539 50 10 KHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c1 100248622 YAPGPUPNNAWXAV-UHFFFAOYSA-N 546.443 3.732 50 10 KHGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 101472807 XAHJKVSIGATZLW-UHFFFAOYSA-N 554.567 3.962 50 10 KHGE COc1cccc(N(CC(=O)NN=C(C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1084156152 JFZIVQBBIJVIFY-UHFFFAOYSA-N 508.600 3.698 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)s2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859007776 WJIMDNSHWIPJQJ-UHFFFAOYSA-N 509.949 3.760 50 10 KHGE CCO[Si](CCCNC(=O)CCOCCOCCOCCNC(=O)O[C@H]1CC/C=C/CCC1)(OCC)OCC 2060005949 ZXQAFZQBZKLJGI-NJFIGMEYSA-N 576.804 3.596 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CCO[C@]2(CBr)C1 2239896419 SSYZVPVCWMREIH-YMTOWFKASA-N 514.983 3.680 50 10 KHGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)NCc1cccc(CNC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)c1 3287055 BZBHKFPSSOSEGU-WDBPGAOMSA-N 534.528 3.591 50 10 KHGE COc1ccc(O[C@H](C)C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 14006390 FRJCBZIUVVBMGG-GFCCVEGCSA-N 516.186 3.522 50 10 KHGE Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14639306 OEVAPKWIHFAIJZ-ZDUSSCGKSA-N 500.187 3.822 50 10 KHGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)COc1ccc(Cl)cc1Cl 101573097 RQDPWBARHYTNPT-UHFFFAOYSA-N 561.213 3.717 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084577623 WBPSTTQNTCTUKL-UHFFFAOYSA-N 606.451 3.549 50 10 KHGE CCC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867248285 WNFJCVOOFPJQIN-OALUTQOASA-N 528.436 3.981 50 10 KHGE CCN1CC[C@H]([C@@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2089523878 QWWHYEANZPBVKY-NEPJUHHUSA-N 523.028 3.914 50 10 KHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C1CCCCC1 2164491736 IYTNDPMCVZTMHG-RXVVDRJESA-N 503.434 3.664 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2349648000 VMMZTKURINOVHN-MFKICJERSA-N 505.703 3.867 50 10 KHGE CN(C1(CBr)CCSCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364214921 QITIIFQCCBLSLM-UHFFFAOYSA-N 517.511 3.765 50 10 KHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 13987026 PXXGEWBPIHBMKC-UHFFFAOYSA-N 507.410 3.536 50 10 KHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Br)c1nc3cc4c(cc3nc12)OCO4 100947462 FCDQBAFQPQBMKQ-RPBOFIJWSA-N 523.387 3.911 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OC)c(OCn2cccn2)c1 1084082120 YJGBIDHPQWLRMY-HXUWFJFHSA-N 546.657 3.949 50 10 KHGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cccs1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084443984 ZMGOAAMZDZDQKQ-UHFFFAOYSA-N 522.992 3.972 50 10 KHGE Cc1c(NC(=O)C(C#N)=Cc2c(Oc3ccccc3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 2296721765 QURBOUXDDKUCPZ-UHFFFAOYSA-N 518.533 3.830 50 10 KHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649963 FFZPJCRGWMEOQG-UHFFFAOYSA-N 507.381 3.529 50 10 KHGE O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1)c1ccc(NC(=O)C2CC2)cc1 100057690 PISXJVUJYHOXFB-LTTYKRRRSA-N 536.592 3.911 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 100162725 KRVGCJOUOJTUKQ-UHFFFAOYSA-N 558.454 3.930 50 10 KHGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C1/C(=O)N(C)c3ccc(C)cc31)C(=O)N2C 100869971 KSKNJVWMTCGEIE-DENOHBPFSA-N 544.656 3.718 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c1 103806417 MZUOAPVWWDYIMT-YVVITCHPSA-N 533.654 3.772 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O 252589925 AOMMSALEIUWFHS-AWEZNQCLSA-N 607.434 3.926 50 10 KHGE COc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084242437 MSFDXUCFFXKDEI-MRXNPFEDSA-N 564.161 3.868 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745859 LKBVCJLSYDHBKQ-UHFFFAOYSA-N 530.368 3.600 50 10 KHGE CCC[C@@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866894592 URKZYCBZBLPQEG-XMMPIXPASA-N 505.644 3.856 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](c2cccnc2)N(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1867278753 LLVUAEWMZMXLQC-JWQCQUIFSA-N 517.611 3.549 50 10 KHGE COc1cc(C=NNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1O 2297709315 JXAZPVQRTHQWHL-JOCHJYFZSA-N 531.525 3.778 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314618193 IWCFRJHDOBHHOP-UHFFFAOYSA-N 578.654 3.977 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C2(CC2)C1 2350359005 ZWIJCUZVVIEZGQ-JOCHJYFZSA-N 505.703 3.869 50 10 KHGE COc1cc(/C=N/NC(=O)CCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc(Br)c1OC 100869608 WKKMMZUTCABRSZ-KOZSXFMUSA-N 600.264 3.627 50 10 KHGE COc1ccc(CCNC(=O)CCC(=O)NNc2nc3ccccc3c3nc(-c4ccccc4)nn23)cc1OC 101475512 LJZZLWRRVBSFQV-UHFFFAOYSA-N 539.596 3.544 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1I 150388597 REPSELXTBSBJCY-UHFFFAOYSA-N 643.095 3.539 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc2c(c1)OCO2 1083871272 ZSYOTYYNABYITF-GIDUJCDVSA-N 506.296 3.603 50 10 KHGE CN1C(=O)C(=Cc2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)SC1=S 2297497997 WODDOOAHTIPEOD-UHFFFAOYSA-N 572.672 3.962 50 10 KHGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1cccc([N+](=O)[O-])c1 100207436 DWUFNKYTDZIFIJ-UHFFFAOYSA-N 543.399 3.928 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 253573912 RYTKJGVMDIPMML-WYMPLXKRSA-N 577.408 3.831 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 254438552 ZGYUZZMSTODNIA-UHFFFAOYSA-N 549.580 3.601 50 10 KHGE O=C(NN=C(c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1)c1cc2ccccc2oc1=O 1081823725 VEUVYRFDCXBVOY-UHFFFAOYSA-N 501.564 3.905 50 10 KHGE O=C(NC[C@H]1C[C@@H](Br)C1)c1cc(I)cc(I)c1O 2076193096 GFUXXZUIKVKJKD-KNVOCYPGSA-N 535.945 3.505 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CCOC[C@H]1CCBr 2142289879 VMIUTZMKHQIQPE-SNVBAGLBSA-N 502.972 3.680 50 10 KHGE CCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1Br 100214620 GLZMSGPRAAOMRB-UHFFFAOYSA-N 519.133 3.536 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c1 101341068 AGEKCGGCUKBHQZ-OVVQPSECSA-N 601.685 3.725 50 10 KHGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1Br 101826273 ICAQMCUIOQFNQD-ULKOKDFMSA-N 527.371 3.851 50 10 KHGE CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 103850824 CHIFWUDRGZZKCS-ZMOGYAJESA-N 523.414 3.793 50 10 KHGE O=S(=O)(CCCCl)Nc1c(I)cc(I)cc1I 155198593 PBLUUIUHIFZNNW-UHFFFAOYSA-N 611.408 3.871 50 10 KHGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)[C@@H](O)C(=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C 196095808 OWYICONKDDFJMF-KRVNPZJJSA-N 714.881 3.861 50 10 KHGE in-vitro Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)c1cc(Br)ccc1O 1083844332 HYWHFCYRJVSTHX-UHFFFAOYSA-N 503.269 3.538 50 10 KHGE COc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 1084362698 YJUWQGJTJPVIPS-UHFFFAOYSA-N 516.417 3.799 50 10 KHGE COC(=O)COc1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 1084559967 NOYUYNHIHOPJHL-UHFFFAOYSA-N 530.002 3.622 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751699 WUDJXQBBGMMHSY-UHFFFAOYSA-N 506.544 3.598 50 10 KHGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1B(O)O 1887551547 MDQKKTPVARCNNX-UHFFFAOYSA-N 571.483 3.771 50 10 KHGE C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1 2059028364 AIXIAWILZQXBCZ-XIEYBQDHSA-N 546.696 3.878 50 10 KHGE COCCN1C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2349858325 WCQIBMKFTMOQOC-YPMHNXCESA-N 503.016 3.938 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 13980055 ZTOYJPIYGZQJRX-UHFFFAOYSA-N 514.401 3.839 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)c(Br)c1 14035408 ZEKGSGXWORNJBO-UHFFFAOYSA-N 508.438 3.761 50 10 KHGE CCOc1ccc(C=NNC(=O)COc2ccc(F)cc2F)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 252643866 ZYGAMJIRHCMDGE-RTWAWAEBSA-N 536.579 3.674 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2350353488 JYGJKRQJJFESDK-HOTGVXAUSA-N 505.703 3.582 50 10 KHGE CCCCC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 13985885 DUZUJGZKFCOEHS-UHFFFAOYSA-N 517.243 3.956 50 10 KHGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1N1CCN(c2cccc(Cl)c2)CC1 40728290 XVQVHXHZSPWNLZ-UHFFFAOYSA-N 502.804 3.558 50 10 KHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc3ccccc3)cc2)c1 100112997 UJHFZNMABPLEMM-UHFFFAOYSA-N 546.649 3.839 50 10 KHGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)[nH]1 104441056 FDCLZJWBBFRTEK-BRJLIKDPSA-N 560.478 3.878 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920630 UNUCCJSFGMVRKV-CJWWTDALSA-N 602.084 3.677 50 10 KHGE biogenic N#CC1=C(N)n2c(sc(=Cc3ccc(Br)s3)c2=O)=C(C#N)[C@H]1c1ccc(Br)s1 252674756 SMAUXPCWRLZWJZ-HNNXBMFYSA-N 552.298 3.509 50 10 KHGE CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)NN=Cc1cnc2ccccc2n1 254840536 LSXDOCGOECJPHU-UHFFFAOYSA-N 521.504 3.604 50 10 KHGE COc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 1084076237 PEBWMZLDYZXXEZ-UHFFFAOYSA-N 530.444 3.841 50 10 KHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(I)cc1 1084120399 KWNYWZSMJWZDFJ-UHFFFAOYSA-N 602.267 3.814 50 10 KHGE COc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084242436 MSFDXUCFFXKDEI-INIZCTEOSA-N 564.161 3.868 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)ccc2O)nnc1-c1ccccc1Br 1084458540 WMXUFIFIYAOJAM-UHFFFAOYSA-N 554.268 3.912 50 10 KHGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2297551823 ITSHASXJVFCKQZ-UHFFFAOYSA-N 526.368 3.861 50 10 KHGE CC(C)(C)OC(=O)[C@]1(N(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)CSC[C@@H]1O 71261304 PISNKGOLEFDKDQ-CPJSRVTESA-N 502.589 3.655 50 10 KHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 100030764 LNOBTAHKWUHUBX-YRNVUSSQSA-N 550.475 3.878 50 10 KHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1 100080482 ORHHJKCYYLVYGF-UHFFFAOYSA-N 562.273 3.884 50 10 KHGE CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)[C@@H](C)Cl)CC1)S(=O)(=O)c1ccccc1 103139490 JMFBCLQMVUHQTF-OAQYLSRUSA-N 550.121 3.743 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 205778683 XNTSDYRCDFZGLY-BTVXTAIASA-N 559.556 3.780 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(Cl)c2)cc1OC 1084322960 INKMNVJGKAIZEO-UHFFFAOYSA-N 516.019 3.741 50 10 KHGE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866609397 SJEHHRROSGMNAS-QHCPKHFHSA-N 521.643 3.735 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178083432 RTNXDZZAATWQLT-QWRKXWFKSA-N 514.983 3.536 50 10 KHGE C[C@@H](Br)COCc1cn(-c2cc(I)ccc2Br)nn1 2278380996 SKDJCJIGCAUUMT-MRVPVSSYSA-N 500.960 3.934 50 10 KHGE COc1ccc(C=C2SC(=O)N(CC(=O)Oc3ccc(C=NNC(=O)c4ccccc4O)cc3)C2=O)cc1OC 2297309340 GPSDQQLJMDHNIW-UHFFFAOYSA-N 561.572 3.815 50 10 KHGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40658691 MWUQRTCQONIMAF-UHFFFAOYSA-N 501.843 3.624 50 10 KHGE CCN(CCOCCBr)C(=O)c1cc(I)ccc1Br 388543337 RWWYFPJUPGXGCF-UHFFFAOYSA-N 504.988 3.927 50 10 KHGE CCCCN1C(=O)C(=NNC(=O)CCCC(=O)NN=C2C(=O)N(CCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720153 DQOYZTWFTJIHCZ-UHFFFAOYSA-N 590.681 3.508 50 10 KHGE COc1ccc(CCNC(=O)C(C#N)=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1OC 2297533962 MZWRXSAGULNMKD-UHFFFAOYSA-N 513.594 3.707 50 10 KHGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C(F)(F)F)c(B(O)O)c1 2370117710 RJDYKNFWEBUEQL-QHCPKHFHSA-N 512.293 3.641 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 101618940 RFQKYOMPJCTGEK-MWAVMZGNSA-N 511.538 3.690 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3ccc4ccccc4n3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 263621987 XFMJRLJCUHDBBO-HMAGLPQGSA-N 573.690 3.663 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccccc2O)c2cc(Cl)ccc2OC)cc1OC 1084009043 YAXKSOMAUCBERF-UHFFFAOYSA-N 548.017 3.807 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772750124 XZNPBQBZHPYGBW-UHFFFAOYSA-N 540.367 3.791 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 1902841697 TWVLVCAQTOHJEY-FQEVSTJZSA-N 537.476 3.743 50 10 KHGE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNC(=O)Nc2ccc(SC#N)cc2)C1=O 2297534387 SDAWRCLDDVSLOH-UHFFFAOYSA-N 500.334 3.619 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccc(Br)cc1 58989066 NEEHDCDYFYNHEI-GZIVZEMBSA-N 500.209 3.971 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1I 100078701 FKZUERZGYXIMNL-UHFFFAOYSA-N 531.375 3.916 50 10 KHGE CCCCN1C(=O)/C(=N\NC(=O)CCC(=O)N/N=C2/C(=O)N(CCCC)c3ccc(C)cc32)c2cc(C)ccc21 100870034 BJDDMHLWYSSGJM-DENOHBPFSA-N 544.656 3.718 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1ccccc1O 104768625 NBZDVQJCSODHJG-AUEPDCJTSA-N 570.267 3.618 50 10 KHGE N#C/C(=C/Nc1ncc(Br)cn1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216510812 WPMCEXCBZBUEMQ-PGMHBOJBSA-N 503.404 3.992 50 10 KHGE CSc1sc(I)cc1C=NNC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 254696967 GXQAARSVOHFCHC-LJQANCHMSA-N 603.467 3.933 50 10 KHGE CCOC(=O)COc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084072814 NYCWAOKWWVBYBW-GOSISDBHSA-N 636.224 3.802 50 10 KHGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142287568 NSCIMGRAWSTFEE-NXEZZACHSA-N 502.972 3.678 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189042285 GFQYUSMPABPPON-IWIIMEHWSA-N 514.983 3.536 50 10 KHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 12570065 TVHGGNAJNZLDJD-AWEZNQCLSA-N 511.431 3.818 50 10 KHGE CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(OCCN2CCOCC2)c(OCC)c1 34953308 KPUWHBVVKNQOBO-RUZDIDTESA-N 519.598 3.578 50 10 KHGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCOCC3)c2)C1 101066112 VVLCNNJQORLVHI-QYJRXKHCSA-N 545.665 3.726 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 101336393 IAFOZGKSQRENMG-RDRPBHBLSA-N 620.691 3.748 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 101832150 OGOAEEYUQMZBRJ-OYLIBOFWSA-N 557.397 3.859 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCC(=O)O)cc2Br)cc1 725397394 YCHBDZAFSQVJHW-IBGZPJMESA-N 523.380 3.674 50 10 KHGE Cc1cc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 725430401 ZPRMUCQRLYOFFR-LJAQVGFWSA-N 640.187 3.962 50 10 KHGE O=C(N[C@H](C[S@@](=O)C[C@H]1C[C@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877465697 VYLPSXAFSPGXBB-FXJVXJGSSA-N 506.418 3.901 50 10 KHGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1ccc(Br)cc1I 2207267813 NOBXBBBVOFKXRH-RYUDHWBXSA-N 514.983 3.869 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CCN(CCCBr)CC1 2207270291 AGOCOAPTDAETAN-UHFFFAOYSA-N 516.015 3.597 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314618143 IAFOZGKSQRENMG-UHFFFAOYSA-N 620.691 3.748 50 10 KHGE O=C(NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40647329 FNRTYBHCHIFQRY-UHFFFAOYSA-N 509.664 3.604 50 10 KHGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1OC 40858392 UXIMKXHNRQJNJI-CPNJWEJPSA-N 507.572 3.847 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCCC)cc2)cc1Br 100164043 JPBUSINFKPXIRX-UHFFFAOYSA-N 566.474 3.909 50 10 KHGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCCc1ccccc1 102011460 DNYPXNZBASFNJZ-IUUQDGFPSA-N 531.638 3.758 50 10 KHGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCOCC3)c2)C1 110558792 OVKWUWUKHHJZHJ-GNOAMTAQSA-N 559.692 3.972 50 10 KHGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1 253575063 UEGQVNANXVYGKU-OAHLLOKOSA-N 564.453 3.768 50 10 KHGE COc1cc(C=NNC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccc(Br)cc1 254519759 WCYDHBAFMOEICO-UHFFFAOYSA-N 528.334 3.696 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 2377094376 CHCRMELOICKHTL-KXNSMUHISA-N 519.730 3.971 50 10 KHGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 14651270 QQBZFTUZDSGUOL-UHFFFAOYSA-N 509.382 3.732 50 10 KHGE N#C/C(=C\c1cc(Br)c(I)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 59105009 LKWJBGSTHJLXFI-FNGPVNCPSA-N 508.117 3.854 50 10 KHGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 100242144 OQIYKMOIBGEPLN-UHFFFAOYSA-N 528.428 3.785 50 10 KHGE Cc1ccc(/C=C/C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1859008009 YUDDXJYHQAMOIA-OVCLIPMQSA-N 509.540 3.753 50 10 KHGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1cc(I)c(OC)c(OC)c1 2053515781 KAFRASYQYZUREV-UHFFFAOYSA-N 509.256 3.771 50 10 KHGE Cc1cc(Br)c(S(=O)(=O)N2CC[C@H](I)C2)cc1Br 2084165601 HWRISLNDCITIGL-QMMMGPOBSA-N 509.001 3.718 50 10 KHGE CN1CCC[C@@H]([C@@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2089531318 LRPSLNDIDRTEHJ-RYUDHWBXSA-N 523.028 3.914 50 10 KHGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1ccc(Br)cc1I 2207264871 KPHGGPMCAJYIOX-ONGXEEELSA-N 516.999 3.974 50 10 KHGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2268607808 QPYKRMKNRJTEJU-VWLOTQADSA-N 506.795 3.830 50 10 KHGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)c2C)cc1 2297486626 OVNUQDVTDYWTNM-UHFFFAOYSA-N 530.537 3.672 50 10 KHGE Brc1cc(CN2C[C@H]3COC[C@@H](C2)[C@H]3Br)ccc1I 2349836438 MLNBVTKWRFGDAP-GNXNZQSNSA-N 501.000 3.895 50 10 KHGE COc1cc(/C=N/NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc(Br)c1O 3108974 ZOILHBVBQCXEJZ-SQXSDERWSA-N 539.342 3.993 50 10 KHGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)CCc1ccccc1Cl 10460446 VWLCZLLCKUJPTF-UHFFFAOYSA-N 505.221 3.789 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)c(Br)c1 12489220 ZEDRFHVBMPQEFA-UHFFFAOYSA-N 500.187 3.940 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2C)cc1Br 14649154 HXCOFECNBGLLGG-UHFFFAOYSA-N 508.438 3.959 50 10 KHGE COc1ccc(N2CCN(c3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3N)CC2)cc1 40727853 OSCMNIKFANPFDF-UHFFFAOYSA-N 509.614 3.669 50 10 KHGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/Nc1ccc(-c2ccc(N/C=C3/C(=O)N(C)C(=O)C(C#N)=C3C)cc2)cc1 101459149 GWAHJBMGJHUZRX-RYQLWAFASA-N 532.560 3.623 50 10 KHGE C[C@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 253568347 LCKVLAIZSMUTCT-HNNXBMFYSA-N 576.464 3.912 50 10 KHGE CCCN(CCC)CN1C(=O)C(=NNC(=O)COc2ccccc2OC)c2cc(Br)ccc21 254759854 RPEOFZQCICYEFM-UHFFFAOYSA-N 517.424 3.783 50 10 KHGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(C)=O 254863533 TUSWVJKSFVHETR-ANBYXCMOSA-N 500.555 3.608 50 10 KHGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 1084526451 ULBMTRDELJGIPU-UHFFFAOYSA-N 509.584 3.592 50 10 KHGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1ccc(I)c(Br)c1 2195507439 VYQYLFUPFXFCLV-GXSJLCMTSA-N 516.999 3.974 50 10 KHGE CC1CCC([C@@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2379736045 HWHFENLATOQAFK-AOTIDICTSA-N 503.434 3.520 50 10 KHGE CCc1ccc(OCC(=O)NNC(=O)C2CCC(C(=O)NNC(=O)COc3ccc(CC)cc3Br)CC2)c(Br)c1 150392318 LRWJFBKYRDXYSP-UHFFFAOYSA-N 682.410 3.895 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc(Br)ccc3O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530910 CZMITVFZEVPIFM-VRZPXPRBSA-N 617.537 3.583 50 10 KHGE biogenic CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@H](C)C[C@@H]2[C@@H]3[C@H]([C@@H](O)C[C@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 575346705 DJHCCTTVDRAMEH-RXMPYUCFSA-N 521.050 3.943 50 10 KHGE Cc1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1 1858959846 YXIQCWFODVUYCI-MDWZMJQESA-N 513.503 3.849 50 10 KHGE O=C(CN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)NCCCl 1866027938 ZHSNQKQMNLUZCD-UHFFFAOYSA-N 582.268 3.688 50 10 KHGE CN1CCN(Cc2ccc(I)c(Br)c2)[C@H](CCBr)C1 2349827929 DDUASODPAPKNRX-GFCCVEGCSA-N 502.032 3.955 50 10 KHGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OC 59676824 XYYRWJVOXJKUDN-QGOAFFKASA-N 517.367 3.954 50 10 KHGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)ccc1O 254493396 PJXADJFIXZHQDI-UHFFFAOYSA-N 504.568 3.741 50 10 KHGE C[C@@H](Oc1c(F)cccc1/C=N\NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1)C(=O)O 675030344 MCVZJUDDIXIXQJ-SKBUGYKVSA-N 525.967 3.957 50 10 KHGE COc1ccc(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)cc1Br 2181752752 LWHOXQBTUDKLJC-UHFFFAOYSA-N 501.490 3.642 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 2377094379 CHCRMELOICKHTL-SYJLOODJSA-N 519.730 3.971 50 10 KHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1C 10154233 YPMPZCVSHHBNOJ-FQEVSTJZSA-N 507.612 3.864 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1Br 10154313 YXOBBSPTESNDJL-HNNXBMFYSA-N 508.438 3.958 50 10 KHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 12500906 GOHGDPXRCCHRKE-UHFFFAOYSA-N 511.401 3.959 50 10 KHGE COc1cc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc(OC)c1OC 14642196 ADRFNJWKLZOLSK-UHFFFAOYSA-N 515.360 3.982 50 10 KHGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c2)C[C@@H](C)O1 101013768 CTPXKAKBZPVSMY-CGWKZPOPSA-N 575.691 3.539 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 1084109905 GOJPSKXCDDSQPC-UHFFFAOYSA-N 614.724 3.774 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccnc3Cl)cc2)cc1 1858679855 RAAKMRCQAHJGHI-UHFFFAOYSA-N 501.977 3.749 50 10 KHGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)CCN4CCOCC4)CC3)nc(Cc3ccccc3)n2)cc1 1868207900 RYTQLVJBTQTYTL-UHFFFAOYSA-N 543.697 3.755 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cscc1B(O)O 2268647439 PACGLCSEUBVIGX-TZPNTHKFSA-N 506.433 3.559 50 10 KHGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)c1 10672266 AHXMXUCPKCZEPO-LBPRGKRZSA-N 514.829 3.994 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccccc1 100075620 HOEOSIXUDLRBGC-BQYQJAHWSA-N 527.238 3.634 50 10 KHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc3cc([N+](=O)[O-])ccc3nc12 100942310 CRSJXXDYLIJKCJ-RPWUZVMVSA-N 524.921 3.890 50 10 KHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 721510808 PRCJHKAGLNVRDU-PSASIEDQSA-N 502.972 3.678 50 10 KHGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1ccccc1I 12489772 VAFPCBQXMGQCAX-UHFFFAOYSA-N 503.134 3.511 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 12503420 AYYGMKJMCZCUOO-UHFFFAOYSA-N 511.003 3.924 50 10 KHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 14002193 HQWYFBJBCLMSLV-UHFFFAOYSA-N 506.809 3.899 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 100115414 ADIKUEAQCBVTIG-UHFFFAOYSA-N 549.672 3.817 50 10 KHGE COc1cccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)c1 1084632818 PUUSFUOARAGYFV-UHFFFAOYSA-N 503.426 3.843 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748786 GEDXNGUCSIZKQG-UHFFFAOYSA-N 567.374 3.561 50 10 KHGE Cc1cc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc(S(N)(=O)=O)c1 1867236449 FLVCCNZDZCOODQ-QHCPKHFHSA-N 540.692 3.886 50 10 KHGE N#CC=Cc1c(I)cc(I)c(N)c1I 1951602090 KPDKAXWFQMLIBQ-UHFFFAOYSA-N 521.865 3.619 50 10 KHGE O=C(NCCOCCCI)c1ccc(Br)cc1I 2086148537 BWPQTUSISMSXPY-UHFFFAOYSA-N 537.961 3.625 50 10 KHGE CCOC(=O)c1c(NC(=O)c2ccc(NC=C3C(=O)NC(=O)C(C#N)=C3C)cc2)sc2c1CCCC2 2297459186 XOIIWFMPXVVAFS-UHFFFAOYSA-N 504.568 3.848 50 10 KHGE N#CC1=C(N)n2c(sc(=O)c2=Cc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1cccc(C(F)(F)F)c1 8448596 QIHFGAWELKOSQF-LJQANCHMSA-N 518.442 3.899 50 10 KHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 9826226 UFZOJTGERGYHHD-UHFFFAOYSA-N 520.611 3.612 50 10 KHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016412 SRRQYHNEXNTYKV-FQEVSTJZSA-N 513.660 3.947 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)COc1ccccc1 100077597 DQZQOWQUUHQDEQ-UHFFFAOYSA-N 567.259 3.845 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1ccncc1 252605138 GGKQKAFNRQWEGW-UHFFFAOYSA-N 553.666 3.528 50 10 KHGE O=C(NN=C1CCSC1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 254439338 MZIOXMQENMUGQS-UHFFFAOYSA-N 542.711 3.634 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(O)ccc3ccccc23)Cc2ccccc2)cc1 1084042148 FUAZAPBWZCBRMA-UHFFFAOYSA-N 530.606 3.845 50 10 KHGE Cc1cc(OCC(=O)NN=Cc2ccc(Cl)cc2)nc(SCC(=O)NN=Cc2ccc(Cl)cc2)n1 1084078541 VJCBHIFIDKMSFL-UHFFFAOYSA-N 531.425 3.863 50 10 KHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865711913 LFIGYJTUVUMFBH-SFHVURJKSA-N 515.404 3.797 50 10 KHGE O=C(NCC[C@@H]1COC[C@H]1Br)c1cc(I)ccc1Br 2111278759 CFFDKVORYWKZAD-PRHODGIISA-N 502.972 3.584 50 10 KHGE COCCN(C[C@H](C)Br)C(=O)c1ccc(I)c(Br)c1 2272441613 LUOSWVYLQDIVOP-VIFPVBQESA-N 504.988 3.926 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1(C)C 2345320699 TTXNVNMBNNOOAP-QFIPXVFZSA-N 507.719 3.973 50 10 KHGE O=C(Cc1ccccc1I)NCC(F)(F)C(F)(F)CI 2361683844 HJOCMWRLGSHRQS-UHFFFAOYSA-N 515.026 3.656 50 10 KHGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1I 100177609 NHDWPGFHTVFZKR-SECBINFHSA-N 553.578 3.944 50 10 KHGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207235 HUIQDXRJGBUZFA-UHFFFAOYSA-N 558.454 3.794 50 10 KHGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C#N 1083994135 RRBIZNHBUDQBBG-UHFFFAOYSA-N 520.458 3.546 50 10 KHGE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2351484813 JKFXAAUTFITHGT-ZHRRBRCNSA-N 507.719 3.973 50 10 KHGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1 9231614 RJUNYRXXTMSAEU-UHFFFAOYSA-N 500.187 3.940 50 10 KHGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)c(O)c1 104769500 MVYFZCSVQQWIQB-CVKSISIWSA-N 546.495 3.996 50 10 KHGE Cc1ccc(CN2C(=O)C(=NNC(=O)Cn3cnc4sc5c(c4c3=O)CCCC5)c3ccccc32)cc1 254442014 QTHHHPBWBZEXTO-UHFFFAOYSA-N 511.607 3.713 50 10 KHGE CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@H](C)C[C@@H]2[C@@H]3[C@H]([C@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 575346706 DJHCCTTVDRAMEH-ZBGMYYCKSA-N 521.050 3.943 50 10 KHGE COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(C)(=O)=O 1866892182 GQPZTNKFHNOTLN-OAQYLSRUSA-N 509.609 3.652 50 10 KHGE CCN1CC[C@H]([C@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2089530385 GNABKPILJYGIQE-VXGBXAGGSA-N 523.028 3.914 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2COC[C@@]2(CBr)C1 2234568109 QXAWAVTYVVOIOK-YMTOWFKASA-N 514.983 3.537 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2285027902 WZOJRXJCFIMCLS-HFJWLAOPSA-N 520.460 3.901 50 10 KHGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C(C)=C(C#N)C1=O 2314620538 QDTXVBHEABCEEW-UHFFFAOYSA-N 511.494 3.603 50 10 KHGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1OC 38658760 HQIOODQDGNVZEH-DEOSSOPVSA-N 503.467 3.815 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 100203257 RHYDPIDAOKAHQC-UHFFFAOYSA-N 542.455 3.942 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101067251 HBFMIKHHQOZIBB-YZSQISJMSA-N 525.359 3.601 50 10 KHGE COc1ccc(C=NNC(=O)c2ccc(COc3ccccc3OC)cc2)cc1Cn1cnc([N+](=O)[O-])n1 254577597 QFALBRYNXWFTMB-UHFFFAOYSA-N 516.514 3.595 50 10 KHGE COc1ccccc1N(CC(=O)NN=Cc1cc(Br)c(C)o1)S(=O)(=O)c1ccccc1 1084227939 BYFRPCYLYUCHLU-UHFFFAOYSA-N 506.378 3.705 50 10 KHGE NCCCNCCCCNCCCNCCOc1ccc(N=Nc2ccc(OCCN3C(=O)C[C@H](Cl)C3=O)cc2)cc1 1565534661 FQANYHMYGJSPQS-NDEPHWFRSA-N 602.180 3.514 50 10 KHGE CN1C(=O)C(=NNC(=O)COc2ccc(Br)cc2Br)c2cc(Br)ccc21 1772752712 HDLUWILXBPTPMD-UHFFFAOYSA-N 546.013 3.850 50 10 KHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2I)C[C@@H]1Br 2142279088 LSYFCKHLHUOPGU-PTOFAABTSA-N 502.972 3.724 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2268644621 LYHIQNJVXQWJSJ-CPJLOUKISA-N 506.795 3.912 50 10 KHGE Cn1nc(C(F)(F)F)c(CBr)c1-n1cnc(I)c1I 2339719772 WMIZLNJCRUNOEW-UHFFFAOYSA-N 560.881 3.729 50 10 KHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1Br 14654263 WXFVIGRMGGSWAY-UHFFFAOYSA-N 514.829 3.852 50 10 KHGE COCC(=O)N1CCN(C(=O)/C(C#N)=C2/SC=C(c3cccc(OC)c3)N2c2ccc(C)cc2)CC1 37441803 HIWRTPTUBJYCKT-SLEBQGDGSA-N 504.612 3.608 50 10 KHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)CC1 40811730 MQYMNLICYNXCLU-NLRVBDNBSA-N 516.392 3.846 50 10 KHGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100205279 OGZRZWMCZNFIIL-UHFFFAOYSA-N 545.253 3.713 50 10 KHGE O=C(O)c1ccccc1[C@@H]1c2cc([N+](=O)[O-])c(O)c(Br)c2O[C@@H]2[C@H](Br)C(=O)[C@H]([N+](=O)[O-])C[C@H]21 1307310479 BWCXYYMKYMIDAC-MHJSFLICSA-N 586.145 3.652 50 10 KHGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1cc(Br)ccc1I 2279409705 PKMZYIYDJFUCFN-GXSJLCMTSA-N 516.999 3.974 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN=CC=Cc1ccccc1 2296736751 XSYDMRTUTYJYLS-UHFFFAOYSA-N 501.630 3.736 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1I 100078797 VHNXDVNHLZZCAY-SECBINFHSA-N 568.220 3.710 50 10 KHGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)C2CCC(C(=O)NNC(=O)c3ccc(NC(=O)CC(C)C)cc3)CC2)cc1 100103723 KRMMBTAHXWVADK-UHFFFAOYSA-N 606.724 3.684 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100228364 OOGAJEDKNOZSTO-UHFFFAOYSA-N 527.400 3.659 50 10 KHGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 214218559 UJFHYRHWABYDPC-ITYLOYPMSA-N 571.659 3.562 50 10 KHGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084540846 NFDXRFCPKRDWGP-UHFFFAOYSA-N 602.467 3.540 50 10 KHGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720597 SZVGUOVZZXHNNM-UHFFFAOYSA-N 539.972 3.855 50 10 KHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1cc(I)ccc1Br 2097945216 JOSWKRPIQIAOTG-WPRPVWTQSA-N 502.972 3.726 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CCN(CCCBr)CC1 2169927928 KSXOBQISXYFDMJ-UHFFFAOYSA-N 516.015 3.597 50 10 KHGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccccc3)c(N3CCN(c4ccccc4)CC3)nc12 33350325 SRTPFMMBGSEJBS-CLCOLTQESA-N 511.607 3.668 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)c(Br)c1 100086868 VSDMSCSBTBVAIR-UHFFFAOYSA-N 555.882 3.793 50 10 KHGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCCOC)c2)CC1 101013651 MOPZOOAQUSDJLY-PLRJNAJWSA-N 605.717 3.563 50 10 KHGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c2)C[C@@H](C)O1 101013772 CTPXKAKBZPVSMY-VNMTVVEWSA-N 575.691 3.539 50 10 KHGE CC(C)C(=O)Nc1nc(=O)c2ncn([C@@H]3O[C@@H]4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]4[C@@H]3O)c2[nH]1 205008014 RYRMXMSXLHPLAT-FKRYTKDZSA-N 595.846 3.929 50 10 KHGE N#CC1=C(N)n2c(sc(=Cc3cc(Br)ccc3F)c2=O)=C(C#N)[C@@H]1c1cc(Br)ccc1F 252668252 FAVSSUPWZVWWDL-LJQANCHMSA-N 576.220 3.664 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cccc(Br)c3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530922 GDAPGKILSITURB-XZERQRIDSA-N 601.538 3.878 50 10 KHGE biogenic COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC 1084112601 YTZDZCYPVZCSGU-UHFFFAOYSA-N 576.469 3.816 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747899 VWXWUIXSLGEAOH-UHFFFAOYSA-N 500.342 3.835 50 10 KHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142287570 NSCIMGRAWSTFEE-VHSXEESVSA-N 502.972 3.678 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1Br 14662140 SBLZEUBFIUKHGF-UHFFFAOYSA-N 516.417 3.506 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 100078098 BUWVAQHEIRGPOP-UHFFFAOYSA-N 521.220 3.544 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1I 100078791 FFKQBMAFXYLXEQ-UHFFFAOYSA-N 588.427 3.810 50 10 KHGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 214354615 PSTDZTJPHVXFQO-JLPGSUDCSA-N 527.606 3.568 50 10 KHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc(OC)c1OC 254678061 MBOHJDKTULPULA-UHFFFAOYSA-N 504.568 3.654 50 10 KHGE C#CCN1C(=O)C(=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2cc(Br)ccc21 725438790 YACGZOODLTWWQB-FAIMXCQZSA-N 570.447 3.786 50 10 KHGE Cc1cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1084001209 IUXDVTQFTSTJKQ-UHFFFAOYSA-N 505.575 3.974 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084146292 GXGWXKWVNHYJGT-UHFFFAOYSA-N 507.612 3.910 50 10 KHGE COc1cccc(-n2cnc(I)c2I)c1CBr 2024108467 YVSFIGKKBFRZJW-UHFFFAOYSA-N 518.918 3.985 50 10 KHGE COCCN(C[C@H](C)Br)C(=O)c1cc(I)ccc1Br 2272458705 AENLQWNPQOMZFY-VIFPVBQESA-N 504.988 3.926 50 10 KHGE CC(C)(C)C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 13988374 RJCIFYRUJUUTEF-UHFFFAOYSA-N 517.243 3.812 50 10 KHGE CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 33347720 AYVCHEXKUHANMY-AFUMVMLFSA-N 508.443 3.893 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 100189137 YSJQJMMVEYCYHU-UHFFFAOYSA-N 533.448 3.926 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 100195997 LXMYIXILUHFJCB-UHFFFAOYSA-N 545.253 3.633 50 10 KHGE CCOc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)ccc1O 1084511584 PMMPJBVQDDBHES-UHFFFAOYSA-N 560.470 3.937 50 10 KHGE C[C@@H](C(=O)NNC(=O)CCC(=O)c1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771417 VSQJGLDRCGMGFQ-KGLIPLIRSA-N 501.008 3.608 50 10 KHGE CSCC[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866626892 GTEDILUXVFPWRT-NRFANRHFSA-N 518.686 3.680 50 10 KHGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)CCN4CCOCC4)CC3)nc(-c3ccccc3)n2)cc1 1868364596 AMXKFFKITMBAEA-UHFFFAOYSA-N 529.670 3.831 50 10 KHGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1cc(Br)ccc1I 2206483783 GHJUEKWKVZKYIT-RYUDHWBXSA-N 514.983 3.869 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1scc(C)c1B(O)O 2283963725 KFUUTCNWSWGDEH-WGDIFIGCSA-N 520.460 3.648 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 101608971 GDCXWBIUZNUUFQ-NLRVBDNBSA-N 535.409 3.989 50 10 KHGE O=C(CSc1nc2ccccc2[nH]1)NNC(=O)c1ccc2cc(C(=O)NNC(=O)CSc3nc4ccccc4[nH]3)ccc2c1 150431041 XWAGDRVETPDCFU-UHFFFAOYSA-N 624.708 3.699 50 10 KHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1cc(Br)ccc1I 235594180 MHMCZJVBKVIHMY-WCBMZHEXSA-N 502.972 3.678 50 10 KHGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccccc3Br)S(C)(=O)=O)cc2)cc1 1084365355 AKEMYHPHMFZKPO-UHFFFAOYSA-N 573.469 3.691 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(I)c1 1084472947 SAEKROGDLIUZOA-UHFFFAOYSA-N 576.204 3.554 50 10 KHGE CSCC[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1866887689 UJXSJNODFVBVMY-LJQANCHMSA-N 512.078 3.954 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2OCC[C@]2(CBr)C1 2296392767 QTPYJAOCNLKPJV-OCCSQVGLSA-N 514.983 3.680 50 10 KHGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)n1-c1ccc(Br)cc1 103123409 BGGUPIUSBUZEGH-WQRHYEAKSA-N 557.426 3.593 50 10 KHGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 214216316 QHEHSJZLUBRLFF-JLPGSUDCSA-N 529.622 3.792 50 10 KHGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=Cc1ccc2c(c1)OCO2 254439326 RLYQXGJKVZTPQE-UHFFFAOYSA-N 502.512 3.814 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)c2cc(C)cc(C)c2)cc1OC 254749307 NESCFEFIZZMIJT-UHFFFAOYSA-N 540.598 3.965 50 10 KHGE O=C(O)COc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1083894909 MFMYNNITLVABNL-UHFFFAOYSA-N 590.111 3.869 50 10 KHGE CCOc1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1 1084097013 QCAKPSZFWSZXPM-UHFFFAOYSA-N 503.426 3.843 50 10 KHGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2329662137 QEXULKAAZAKHKV-UHFFFAOYSA-N 510.797 3.669 50 10 KHGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14031865 VIGNZQWPXWEQBN-HXUWFJFHSA-N 521.639 3.975 50 10 KHGE O=C(NNC(=O)c1ccccc1I)c1cccc(OCCOc2ccccc2)c1 14040874 VMCQNQOXJUBABX-UHFFFAOYSA-N 502.308 3.824 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C(=O)O)cc3)n2-c2ccc(OC)cc2)cc1 32576989 DNCCCHUVZIVGBN-DICXZTSXSA-N 517.567 3.892 50 10 KHGE COc1cc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1OC(=O)c1cc(F)c(F)cc1Cl 33353187 DSPNFKNTHUHRBC-VWDPFFEDSA-N 581.923 3.978 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1 205779730 PEEYDNAWZGTUIP-WSFYNJOLSA-N 697.795 3.715 50 10 KHGE CCc1ccc(OCC(=O)O)c(C=NNC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2cccs2)c1 1081159564 MBDMMKFBABHSLL-UHFFFAOYSA-N 522.004 3.992 50 10 KHGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)CC1 1083925428 SYVJJUYXCAEQPF-UHFFFAOYSA-N 538.446 3.664 50 10 KHGE O=C(N[C@H]1CCOC[C@H]1CBr)c1cc(I)ccc1Br 1878683521 BWPNEKAASPZHHO-PELKAZGASA-N 502.972 3.584 50 10 KHGE CC1=C(Br)C(=O)[C@@](C)(Br)[C@H](Br)C1=NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2053611756 QUVPCCJRVQBBMH-OCCSQVGLSA-N 559.030 3.893 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2269540351 BQQHDYPBNLNDSY-VWLOTQADSA-N 506.795 3.912 50 10 KHGE COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1193042 IWJSNKYZGUKLPE-VULFUBBASA-N 509.471 3.612 50 10 KHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)COc1ccc(C(C)(C)C)cc1 13976402 HBVNTTLVJQUEMG-UHFFFAOYSA-N 505.040 3.766 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14012755 UUFYRGPZDQOKLO-UHFFFAOYSA-N 508.438 3.860 50 10 KHGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14654323 ZQGOPOYANWHCLM-UHFFFAOYSA-N 506.422 3.998 50 10 KHGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccc(Cl)cc1Cl 59160814 REWTWHMSGNGPPG-SGWCAAJKSA-N 507.333 3.770 50 10 KHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3I)cc2)c1 100076900 NWAZKGZWLSJOAH-UHFFFAOYSA-N 558.401 3.801 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 100158332 PWEXRXMDACLLFL-UHFFFAOYSA-N 558.454 3.930 50 10 KHGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869876 FFAUWTPDJRUBEX-KBVAKVRCSA-N 594.577 3.509 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 101619197 BRLFYNKVPYSIPJ-MTDXEUNCSA-N 583.425 3.893 50 10 KHGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)ccc1O 252616653 KCWGLHKLWQNVCR-UHFFFAOYSA-N 519.583 3.908 50 10 KHGE COC[C@](C)(CBr)CNC(=O)c1cc(Br)ccc1I 1926998981 HMRIOKOGXMKEIN-CYBMUJFWSA-N 504.988 3.831 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 2314620162 LAMWXHBJJVKWTG-UHFFFAOYSA-N 514.513 3.842 50 10 KHGE COc1ncc(-n2c(C)nc(I)c2I)c(C)c1CCl 2342386929 OXYFICIDNKXWII-UHFFFAOYSA-N 503.509 3.841 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)ccc1Br 100081942 GEUUSDWHARKENX-UHFFFAOYSA-N 547.475 3.991 50 10 KHGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 100087351 NEVQAQZJHBYFIM-UHFFFAOYSA-N 586.089 3.998 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1I 100145584 YRAMJQZCAJDUSV-AWEZNQCLSA-N 533.391 3.856 50 10 KHGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1OC 100869623 MEYRANGKYHMDSF-RWPZCVJISA-N 566.449 3.933 50 10 KHGE NNC(=O)c1ccccc1COc1c(I)cc(I)cc1I 154936545 LGTJZZJNEGYVJR-UHFFFAOYSA-N 619.966 3.683 50 10 KHGE COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1 198739957 RGOQVWCOFXZPEI-CCVNUDIWSA-N 571.371 3.537 50 10 KHGE COc1cc(C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC(=O)/C=C/c1ccccc1 254508076 ALTJWNPJBIXDTN-JLXWWPFDSA-N 527.562 3.921 50 10 KHGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)cc1 1084594436 WYGUNMVHBUHGRD-UHFFFAOYSA-N 504.362 3.634 50 10 KHGE CN([C@H](CCBr)C(F)(F)F)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364212506 YBNRXYVBIHMNFZ-MRXNPFEDSA-N 513.376 3.821 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNS(=O)(=O)c1ccc(Cl)cc1 12483872 UADXQKCZXUOFET-UHFFFAOYSA-N 512.607 3.562 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3cccnc3)n2-c2ccccc2)cc(OC)c1OC 254505030 ODBWGUHPOYCOGP-UHFFFAOYSA-N 518.599 3.988 50 10 KHGE COc1cc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 1084523191 VXWWQSIUPZCLPB-UHFFFAOYSA-N 525.627 3.983 50 10 KHGE O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771285 PBHISGRDXRNBSY-NTCAYCPXSA-N 514.607 3.777 50 10 KHGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1956235163 XRIMEFSZSAIOGW-KSFYIVLOSA-N 511.413 3.626 50 10 KHGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2123199083 NGOCEVTZAXUVTK-GASCZTMLSA-N 504.244 3.975 50 10 KHGE COc1ccccc1C=C1SC(=S)N(CCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)C1=O 2297293628 LNGXJSUPPOGCRW-UHFFFAOYSA-N 540.450 3.820 50 10 KHGE O=C(Cc1n[nH]/c(=N\C(=O)c2ccccc2)s1)NN=Cc1cn(CCOc2ccccc2)c2ccccc12 254479578 HYDTVKQAKMLGDJ-UHFFFAOYSA-N 524.606 3.939 50 10 KHGE COc1cc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc(OC)c1O 254712003 WGKLRBOGCGTXAF-UHFFFAOYSA-N 579.635 3.925 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749372 KGGFSFDOEHBVKZ-UHFFFAOYSA-N 539.386 3.661 50 10 KHGE C[C@]12CCCCN1S(=O)(=O)C(=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O 1887588367 SAJLLINFBFKXLX-MUUNZHRXSA-O 506.584 3.907 50 10 KHGE COc1ccc(C(C)=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 2293441598 XYFMCXZDDHFFQN-UHFFFAOYSA-N 502.483 3.643 50 10 KHGE C[C@H](NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C12CC3CC(CC(C3)C1)C2 2324901956 VHYWXWCVWQJZSV-BALBBAFXSA-N 533.094 3.901 50 10 KHGE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349649487 IBWKBXJMJKVFPD-AOMKIAJQSA-N 507.719 3.973 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 14655696 YJVRZPFHAGARTM-UHFFFAOYSA-N 502.390 3.716 50 10 KHGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c(OC)c1 38656836 KHEFFIXJVAKDEK-VWLOTQADSA-N 503.467 3.815 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1I 100162658 DTBFAMOZZSLTAW-UHFFFAOYSA-N 591.427 3.707 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 100202069 QDYDMGQBUUOOIQ-OAHLLOKOSA-N 546.443 3.731 50 10 KHGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C 150657753 WRCRIBZAXPFUBP-LHLOQNFPSA-N 649.733 3.904 50 10 KHGE Cc1cccc(Cl)c1OCc1ccc(/C=N/Nc2nnc(S[C@H](C)C(=O)NNC(=O)C3CCC3)[nH]2)o1 253568492 LHDQCOVKXJYJOP-WGLQYDGWSA-N 532.026 3.813 50 10 KHGE COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)NN=Cc4cccc(F)c4)[C@@H]3C)c1OC)OCO2 254590268 XLXUQUYSHFXAIM-MGPLVRAMSA-N 508.300 3.548 50 10 KHGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865686955 GBYVALOMTFGRDN-VWLOTQADSA-N 531.613 3.516 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)c1 2314617911 CYKCUWWTUQWZMI-UHFFFAOYSA-N 573.675 3.808 50 10 KHGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)c1 10471894 FIUCSYIPXFOUIU-UHFFFAOYSA-N 500.802 3.604 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)c(Br)c1 12573198 BHZDKNQATPHLPY-UHFFFAOYSA-N 515.227 3.543 50 10 KHGE CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(SC#N)c1C 14017394 YSVDJAQEIZUEJG-AWEZNQCLSA-N 511.622 3.985 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OC(C)=O 100319451 CFWWOSZKKDQSQN-AUWJEWJLSA-N 521.267 3.987 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1cccc(OC)c1O)c1ccccc1 1083951094 GLKPFKVJDOGZHR-UHFFFAOYSA-N 548.415 3.518 50 10 KHGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)S(C)(=O)=O)cc1C 1084555221 XRYNABQINOAGGC-UHFFFAOYSA-N 565.652 3.778 50 10 KHGE Cn1ncc(I)c1-n1c(CCl)nc2cc(I)c(F)cc21 2381859513 ZZAJSQDEWFGDID-UHFFFAOYSA-N 516.483 3.846 50 10 KHGE Cc1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1C 13992829 KEKASARMNINLOF-UHFFFAOYSA-N 500.187 3.742 50 10 KHGE C/C(=N\NC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc(Br)cc1 58990972 URNYQEWIRGCOHG-YDZHTSKRSA-N 518.397 3.742 50 10 KHGE O=C(N/N=C1\C(=O)Nc2ccc(Br)cc21)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 101008414 HIAYCQSMFOUHKJ-NDENLUEZSA-N 534.326 3.601 50 10 KHGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 214224271 LVVJTSNHRKXDLI-DIBXZPPDSA-N 585.686 3.953 50 10 KHGE CS(=O)(=O)O[C@H]1[C@H](Br)[C@@H](n2ccc(O)nc2=O)O[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 261493355 UVZKDSPZQUZHDS-CQJMVLFOSA-N 613.486 3.921 50 10 KHGE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@H]3O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1 575417010 IJUAKMXOOVCLEV-AVOSEHMPSA-N 753.796 3.751 50 10 KHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 721510813 PRCJHKAGLNVRDU-WCBMZHEXSA-N 502.972 3.678 50 10 KHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc2c(c1)OCO2 725434533 FHPPRRHRFMMASY-UHFFFAOYSA-N 530.400 3.519 50 10 KHGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084563910 WRDBMUOSIDICJC-UHFFFAOYSA-N 607.041 3.937 50 10 KHGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 2295924304 SRCYMQNCEDITRI-UHFFFAOYSA-N 504.977 3.691 50 10 KHGE COC[C@]1(CBr)C=CCN1C(=O)c1cc(I)ccc1Br 2379833183 QWSYCPNSGGLOQF-CQSZACIVSA-N 514.983 3.846 50 10 KHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 14037179 PUCNLJLWADVIGR-UHFFFAOYSA-N 511.385 3.665 50 10 KHGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 14834020 PNPDLTZBVVCODX-FPYGCLRLSA-N 503.205 3.870 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(C(=O)O)cc3)n2-c2ccccc2)cc(OC)c1OC 254378066 BFIFORUBYAJKBF-UHFFFAOYSA-N 547.593 3.901 50 10 KHGE CCOc1cc(C=NNC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)ccc1OCc1ccccc1 254755091 ZRSGGUNMBUUVBI-UHFFFAOYSA-N 524.541 3.641 50 10 KHGE O=C(Nc1c(I)ncnc1I)[C@@H](Br)C1CCCC1 2057388993 MUXGDUCHLYOVLB-ZETCQYMHSA-N 535.949 3.578 50 10 KHGE C/C(=N\NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1ccc(I)cc1 103748699 APZRDTDOOGIFAF-MFKUBSTISA-N 547.418 3.849 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1ccccc1I 150387328 BSGXGQOOYDDIAL-UHFFFAOYSA-N 627.096 3.839 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc2c(c1)OCO2 263628524 ANECNZWQOSKZMB-UHFFFAOYSA-N 544.427 3.562 50 10 KHGE aggregator COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1 1083887542 GEMKMNSLNPQPHN-UHFFFAOYSA-N 503.426 3.843 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 1083960989 MHMASEVCDFLFBH-QGZVFWFLSA-N 510.620 3.733 50 10 KHGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NCCCN5CCOCC5)c(C)c43)coc2c1 1772752204 YVWRTYHOKSGDIT-UHFFFAOYSA-N 520.630 3.802 50 10 KHGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687129 JYVQQFDLSHSZFC-MHZLTWQESA-N 545.640 3.771 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 1866622796 MJTOXMNWLNZLLY-VWLOTQADSA-N 550.662 3.875 50 10 KHGE CN1CC[C@@H]([C@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2086149480 OJBYYTRGLCCDFP-WDEREUQCSA-N 509.001 3.524 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(C)c(C)c1B(O)O 2283968512 DXIRZTUPJUDHMG-QMTYFTJSSA-N 520.460 3.614 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2350361857 UXXQDTRUXYKFGZ-YDGQEPMXSA-N 505.703 3.629 50 10 KHGE CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c(SC#N)c1C 14021552 JGVMTWLGGQMHCJ-OAHLLOKOSA-N 523.658 3.854 50 10 KHGE COc1cc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)NN=Cc2ccc(N(C)C)cc2)cc(OC)c1OC 254631505 UNLMIMWNEGNUIJ-IINYUFORSA-N 520.561 3.839 50 10 KHGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)Cc2cccnc2)cc1 254762554 FBGVTGJTKQNZCI-UHFFFAOYSA-N 677.805 3.656 50 10 KHGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084163516 IGIHKNNRZCVZSA-UHFFFAOYSA-N 530.954 3.788 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Br)c1 1084576236 CMDXGHLIGLAAKP-UHFFFAOYSA-N 500.418 3.833 50 10 KHGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720041 DWWAOMUFFGZLHQ-UHFFFAOYSA-N 509.471 3.612 50 10 KHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747988 UJHLGENXFQTOLW-UHFFFAOYSA-N 525.359 3.875 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 1866863551 XLJUEQSZMSXUPW-YADARESESA-N 500.580 3.684 50 10 KHGE Cc1nc(I)c(I)n1-c1cccnc1CBr 1936811287 UMPZDDAMKSCIPF-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccccc2C)c(C(C)C)cc1Br 13976521 SZXUXFIBJYVFBQ-UHFFFAOYSA-N 508.438 3.669 50 10 KHGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1OC 33497793 DUBOEPOFGRXFHJ-ZSOIEALJSA-N 518.595 3.613 50 10 KHGE CCOc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2Br)cc(Br)c1O 39724892 UTBSGCRQCVJYNU-KSEXSDGBSA-N 513.186 3.586 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C)cc1Br 41014647 UMXDAISYWXTAEO-LDADJPATSA-N 515.360 3.516 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Br 102857810 ATSAUMXDCJFPLH-DPWKNNTCSA-N 541.427 3.521 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc(Br)ccc3O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920621 CZMITVFZEVPIFM-PPMFSKNKSA-N 617.537 3.583 50 10 KHGE CCN(CC)C1=CC(=O)/C(=C/NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)C=C1 135635933 YZPXNYRUSZXCGT-DYTRJAOYSA-N 530.654 3.904 50 10 KHGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OC(=O)OC)c(OC)c1)S(=O)(=O)c1ccccc1 725403296 CQGKXLBTRIZNMA-UHFFFAOYSA-N 541.582 3.585 50 10 KHGE C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866635334 MVWUUJRNUFSHMC-BEFAXECRSA-N 544.058 3.893 50 10 KHGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2132364330 HHPZQWDEJFISTQ-GDBMZVCRSA-N 504.244 3.832 50 10 KHGE N#CC(=Cc1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568833 ZBRDDCPBXGDCAE-UHFFFAOYSA-N 549.219 3.931 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1 2350100346 WOAXJKGVYMZUTP-OPAMFIHVSA-N 505.703 3.725 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccccc3Cl)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 38140235 JJHDYZGLZGFCAG-HNIDXQFGSA-N 557.087 3.769 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(O)c(I)c2)cc1 1084113857 MHMLYDDYJIQEFC-KRWDZBQOSA-N 594.187 3.964 50 10 KHGE Cc1ccc(CCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1 1859004587 CLJSBQXAXWLUEG-UHFFFAOYSA-N 529.546 3.811 50 10 KHGE CO[C@@H]1C[C@H](NC(=O)c2cc(I)ccc2Br)C[C@@H]1Br 2130821021 IABURBPOCAHBKU-JFUSQASVSA-N 502.972 3.724 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1scc(C)c1B(O)O 2283963721 KFUUTCNWSWGDEH-QUGAMOGWSA-N 520.460 3.648 50 10 KHGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@H]3CCCO3)c2)C[C@@H](C)O1 2314475818 CTPXKAKBZPVSMY-VHFRWLAGSA-N 575.691 3.539 50 10 KHGE COCCn1cc(C=NNC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)c2cc(OC)ccc21 2321698234 UOIQOKGNPOKMED-UHFFFAOYSA-N 506.603 3.888 50 10 KHGE O=C(C=Cc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 2330910523 PQBVQMOWDDPKJV-UHFFFAOYSA-N 513.503 3.583 50 10 KHGE CC1CCC([C@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2379736048 HWHFENLATOQAFK-MCNBGVANSA-N 503.434 3.520 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1I 100199304 DNMIALPBMNNRBB-UHFFFAOYSA-N 592.253 3.799 50 10 KHGE CC1(C)[C@]2(C(=O)N3CCN(C(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)CC3)CC[C@@]1(C)C(=O)[C@H]2Br 256019066 IYHXNBAPKLPCLW-WIOIUZHTSA-N 600.392 3.975 50 10 KHGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686885 DKLFPOFIRTVRHY-MHZLTWQESA-N 529.641 3.740 50 10 KHGE CCC[C@@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1867074505 RFNJLLCNUAYSEB-JWIKTPOESA-N 500.646 3.837 50 10 KHGE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2cc(Br)cc(CBr)c2F)C1 2123247597 IQNMMFFEOYVWIO-UHFFFAOYSA-N 506.235 3.988 50 10 KHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(I)c(Br)c2)C[C@@H]1Br 2130804133 GSPWWDGYNILGAX-UBHAPETDSA-N 502.972 3.724 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282477404 PFGDDEDUDLIPJQ-UHFFFAOYSA-N 500.467 3.761 50 10 KHGE Cc1sc(CNC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2285010600 RGYWSSJSSZNUOV-XMMPIXPASA-N 520.460 3.614 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1I 100060078 WPSCPZRLVIIKOO-UHFFFAOYSA-N 606.280 3.900 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(c(O)c32)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O4)cc(OC)c1OC 105814798 HDTALITUGUDJSK-DQEYMECFSA-N 614.611 3.880 50 10 KHGE COc1ccc(CCNC(=O)C(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1OC 254297263 MEUUTRCOUJHNOZ-UHFFFAOYSA-N 516.520 3.939 50 10 KHGE COc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3ccccc3OCCOc3ccccc3OC)s2)cc1 254518432 DHWQFKSUEKUMMD-UHFFFAOYSA-N 561.620 3.958 50 10 KHGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 1083936844 NBIYJKLWDAYIJR-UHFFFAOYSA-N 539.610 3.623 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=CC(C)C 1084627183 AXNLNDDORNCTMV-CQSZACIVSA-N 512.421 3.919 50 10 KHGE COc1cc(/C=N/NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]3OC4(CCCCC4)O[C@@H]23)cc(I)c1O 1615016774 PGKNQBWYPMQJNS-BYUMTOFTSA-N 628.460 3.701 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745254 VZGGWNRUBGXPCP-UHFFFAOYSA-N 509.360 3.896 50 10 KHGE Cc1cccc(C)c1OCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858956989 BXDRGBJLHGVJEP-UHFFFAOYSA-N 531.518 3.523 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858957647 JVWJDHTZSWWXCV-UHFFFAOYSA-N 538.513 3.932 50 10 KHGE O=C(NCC[C@H]1COC[C@@H]1Br)c1cc(Br)ccc1I 2111280415 RBZKCFQYMQGSEG-KWQFWETISA-N 502.972 3.584 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CC2(C1)OCCC[C@@H]2Br 2159665083 VSLWLMWVOKKWBI-LBPRGKRZSA-N 514.983 3.822 50 10 KHGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1ccc(Br)cc1I 2279407027 IDNGJRKSTZHQIL-KOLCDFICSA-N 516.999 3.974 50 10 KHGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080703 PTQGRXJWJOIDBX-UHFFFAOYSA-N 567.259 3.845 50 10 KHGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(Br)cc3)c(C)c21 101600899 FXEPEIBWSNEFJS-OVVQPSECSA-N 539.386 3.904 50 10 KHGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2ccccc2OCc2ccc(Cl)cc2)n1 1084224922 YBNABENZQRSXSZ-UHFFFAOYSA-N 516.027 3.769 50 10 KHGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712287 UWWOVZJESSHPNN-HXUWFJFHSA-N 510.304 3.841 50 10 KHGE COc1ccc(-c2cc(C(=O)N[C@@H](CCSC)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866622343 MCLSKXIWCYAOMY-IBGZPJMESA-N 509.613 3.921 50 10 KHGE N#CC(=Cc1cc(I)c(OCC(=O)O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566933 DSRPJVOBSXHNRI-UHFFFAOYSA-N 643.219 3.615 50 10 KHGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1Br 14032427 BTJLHVABIWBNKG-UHFFFAOYSA-N 508.438 3.905 50 10 KHGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720033 DFGMLEFZKDLJOA-UHFFFAOYSA-N 549.580 3.601 50 10 KHGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1cc(I)ccc1Br 2101336265 GMVFNOUNAVDBTI-WCBMZHEXSA-N 502.972 3.584 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(C)c(C)c1B(O)O 2283968511 DXIRZTUPJUDHMG-DXPJPUQTSA-N 520.460 3.614 50 10 KHGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)c1OC(=O)N1CCOCC1 3013954 UKXJRQRNRXXAGT-LJQANCHMSA-N 552.385 3.897 50 10 KHGE C=CCc1cccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)c1O 58988402 JBLUUFRLVUCEGU-AFUMVMLFSA-N 515.437 3.878 50 10 KHGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 101335576 MRORNFDIOSWVIC-HZHRSRAPSA-N 510.550 3.939 50 10 KHGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4Br)c(C)c32)c1 101613064 RQUFJJUGEWXUBP-ZXVVBBHZSA-N 539.386 3.904 50 10 KHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(OC)c(OCn2cccn2)c1 103929087 VQKRFDQBLGBXMS-MUFRIFMGSA-N 546.657 3.869 50 10 KHGE O=S(=O)(c1cc(CBr)ccc1Br)N1CC2(CN(Cc3ccccc3)C2)C1 2123269123 PNCGVALEQOPXCY-UHFFFAOYSA-N 500.256 3.851 50 10 KHGE C[C@@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@H](CBr)O1 2142286138 XXWSGTCMGPKEKX-SCZZXKLOSA-N 502.972 3.678 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(B(O)O)cc1C 2283963348 LFCAMDGOYPOZDL-MRDQGFSESA-N 520.460 3.648 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 10154326 JSJGZQZMFBUDHC-HNNXBMFYSA-N 508.438 3.958 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643197 LAXCMMQMYAVHLL-INIZCTEOSA-N 506.397 3.798 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101341501 SJRYUKOBGMTVBH-PCLIKHOPSA-N 555.547 3.619 50 10 KHGE C[C@@H](Oc1c(F)cccc1C=NNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159565 MCVZJUDDIXIXQJ-GFCCVEGCSA-N 525.967 3.957 50 10 KHGE CC(C)NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083927173 GYWFUJGSAJTHND-UHFFFAOYSA-N 557.072 3.585 50 10 KHGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)c1 1084030069 DZPHPOHJPOTREC-HKBQPEDESA-N 633.796 3.925 50 10 KHGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccccc1 1084249714 NETNRIGDLBPASS-UHFFFAOYSA-N 572.043 3.739 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749640 ONOKXGHXJLZJOY-UHFFFAOYSA-N 515.389 3.957 50 10 KHGE O=C(NC[C@@]1(CBr)CCCOC1)c1ccc(Br)cc1I 2207274766 FJFVLQLGVOKCKN-AWEZNQCLSA-N 516.999 3.975 50 10 KHGE CCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C(=O)Nc4ccc(OC)cc4)cc3OC)nc2s1 2297350731 IJFPHBQGLSMZHG-UHFFFAOYSA-N 517.567 3.855 50 10 KHGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1C 10154357 GDZQPLXGRSOQDM-OAHLLOKOSA-N 508.438 3.956 50 10 KHGE CN(C)C(=O)[C@@]1(C)CSS[C@](C)(C(=O)N(C)C)CSS[C@](C)(C(=O)N(C)C)CSS1 12384507 KIYYDWQIWSKZSL-OKZBNKHCSA-N 531.882 3.685 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1I 14027854 ZSHXPNGASULNSP-UHFFFAOYSA-N 502.308 3.954 50 10 KHGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 14651262 CHRSNUPEKZJTFK-UHFFFAOYSA-N 524.437 3.597 50 10 KHGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 41018260 HMINHJQTIZWXIJ-YYZDAUDSSA-N 501.539 3.762 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)Cc2ccccc2)cc1 1083933344 WPDZHZLWJJJWIW-UHFFFAOYSA-N 516.982 3.779 50 10 KHGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)ccc1OCC(=O)N(CC)CC 1865706825 GJPWEOYQKKSSQS-VWLOTQADSA-N 516.602 3.694 50 10 KHGE O=C(NCCOCCCI)c1cc(I)ccc1Br 2042202857 FWSKPHLCUPYRKR-UHFFFAOYSA-N 537.961 3.625 50 10 KHGE Cc1cc(-n2cnc(I)c2I)cc(CBr)n1 2244979689 WHMGGAQNMXHMKF-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc1Br 14647741 SUSGBULSSQWXHV-UHFFFAOYSA-N 514.829 3.914 50 10 KHGE CNc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 100273172 SQPFQLKKWRNLTD-VBHHZLGVSA-N 563.177 3.901 50 10 KHGE Cc1cccc(Cl)c1OCc1ccc(/C=N/Nc2nnc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)[nH]2)o1 253568491 LHDQCOVKXJYJOP-BKUHRTFNSA-N 532.026 3.813 50 10 KHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCCCBr)CC1 2283136671 DNOGGEYKYFIESB-NRFANRHFSA-N 503.434 3.618 50 10 KHGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314618782 UHHKNDATSOIADV-UHFFFAOYSA-N 629.739 3.968 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 2345251303 ODDOGUOQGFDJIF-QRQCRPRQSA-N 505.703 3.773 50 10 KHGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1OC 40583755 SEEPNNUXENEKOE-UHFFFAOYSA-N 517.340 3.576 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 100132776 MBXPFPBZFJDPSW-UHFFFAOYSA-N 526.442 3.740 50 10 KHGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100200754 BRBWBBITFIDQLL-UHFFFAOYSA-N 536.604 3.730 50 10 KHGE CCOC1=CC(Br)=C/C(=C\NNC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)C1=O 135982356 LCEYVFOLFRQSPE-REPKJQSUSA-N 508.372 3.744 50 10 KHGE Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NN=Cc3c(Br)cnn3C)o2)n1 252598971 DFWJUDFRHBHAQJ-UHFFFAOYSA-N 503.304 3.949 50 10 KHGE O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(=O)O 725382757 KXTNMMCPSWSFDW-UHFFFAOYSA-N 505.474 3.749 50 10 KHGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)c(O)c1 1084491683 MVYFZCSVQQWIQB-UHFFFAOYSA-N 546.495 3.996 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772746747 GJGCIJGNIGXUSV-UHFFFAOYSA-N 519.341 3.798 50 10 KHGE CCC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867248287 WNFJCVOOFPJQIN-RTBURBONSA-N 528.436 3.981 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(C)=C(C#N)C1=O 2314620933 WLIHVXQJFSPFNC-UHFFFAOYSA-N 513.344 3.881 50 10 KHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 9826218 ZXCJFOOIKNEHGK-UHFFFAOYSA-N 514.431 3.903 50 10 KHGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14007391 UPALVZSXMSWSFH-SNVBAGLBSA-N 506.578 3.859 50 10 KHGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)COc1cccc2ccccc12 100088240 JWKIDIVVXCQTSD-UHFFFAOYSA-N 522.808 3.735 50 10 KHGE COc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1OC 1083945520 RMWWKVOXNXUWRT-UHFFFAOYSA-N 516.019 3.741 50 10 KHGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 1084374503 OVNHMOZXTVEIEK-UHFFFAOYSA-N 575.603 3.976 50 10 KHGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)SC1=NNC(=O)Cc1ccccc1 1772718549 GPCDAGJTWZKCJD-GOSISDBHSA-N 501.406 3.538 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CCBr)COCc1ccccc1 1902791109 TWVLVCAQTOHJEY-HXUWFJFHSA-N 537.476 3.743 50 10 KHGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@@H]4CCCO4)c(=O)oc3c2)cc1OC 2314750999 JLAHZSLXXGHBTE-NRFANRHFSA-N 518.522 3.622 50 10 KHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041118 ULKJAHHMXJNPHY-UHFFFAOYSA-N 520.611 3.688 50 10 KHGE CCOc1cc(CNNC(=O)CCCCCCCCC(=O)NNCc2ccc(O)c(OCC)c2)ccc1O 34982653 BTRFWHWYNIRXAZ-UHFFFAOYSA-N 530.666 3.958 50 10 KHGE C/C(=N/NC(=O)c1cccnc1)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(/C(C)=N/NC(=O)c3cccnc3)cc2)cc1 101468330 LZNDWEDTUUSYAC-ZIBDGKGDSA-N 594.628 3.941 50 10 KHGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1C(F)(F)F 217056933 KIPJPDRVLNAMOA-YPKPFQOOSA-N 514.913 3.838 50 10 KHGE COC[C@@](C)(CBr)N(C)C(=O)c1cc(Br)ccc1I 708335224 XFQVAWZTWWVSGC-CYBMUJFWSA-N 504.988 3.926 50 10 KHGE O=C(NC[C@]1(CBr)CCCOC1)c1ccc(I)c(Br)c1 721624095 ZHHCFDBQILYVPJ-CQSZACIVSA-N 516.999 3.975 50 10 KHGE COc1ccc(-n2nncc2C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866924398 LRRGVRLGHSFXPL-HSZRJFAPSA-N 516.558 3.968 50 10 KHGE CCOc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313546056 ZMVWGKBYCCWAAO-UHFFFAOYSA-N 517.367 3.954 50 10 KHGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)c1 2314476905 XSHUYQVFGDMDEO-UHFFFAOYSA-N 573.675 3.712 50 10 KHGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314620584 RLSKZOBMDFRAJL-UHFFFAOYSA-N 613.696 3.869 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1Br 10154310 YXOBBSPTESNDJL-OAHLLOKOSA-N 508.438 3.958 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(Br)c1 100086951 DZYWJKKVQWLKGG-UHFFFAOYSA-N 535.464 3.711 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)COc3ccc(C(C)C)cc3)cc2)cc1 100096423 BXGDCBPSNBVCQI-UHFFFAOYSA-N 546.624 3.613 50 10 KHGE N=C1O[C@H](c2ccccc2Cl)C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)/C1=N/NC(=O)c1cccc([N+](=O)[O-])c1 108863624 PJHBECCWIORYHA-JAACDUFZSA-N 549.887 3.777 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC 1084004785 XPNMJYUTQRQOFE-UHFFFAOYSA-N 598.634 3.921 50 10 KHGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1ccc(I)c(Br)c1 2101330691 DFNHYLGTMLVCNP-PSASIEDQSA-N 502.972 3.584 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CC2(C1)OCCC[C@@H]2Br 2159660071 KMDCEBCHSFAXGL-LBPRGKRZSA-N 514.983 3.822 50 10 KHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 2296727622 RPLCUHORCSFTBG-FQEVSTJZSA-N 511.401 3.512 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cc(Br)ccc3O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642423 CZMITVFZEVPIFM-NCRYHCEPSA-N 617.537 3.583 50 10 KHGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(OCC)c1OCC 205933259 HEIAMMNKIXWLFC-PXLXIMEGSA-N 511.535 3.722 50 10 KHGE C[C@H]1CCCCN1Cc1c(C(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnn1-c1nonc1N 254287052 GPNCZOYULPTXIL-INIZCTEOSA-N 537.669 3.671 50 10 KHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747911 VZTVWCLAEYLNNQ-UHFFFAOYSA-N 504.499 3.554 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915175567 APKKCSPRARNRQJ-OAQYLSRUSA-N 505.434 3.678 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2350352617 GBVKLUBXSNKHKM-ZMPRRUGASA-N 505.703 3.582 50 10 KHGE CCOC(=O)[C@@H]1C[C@H](I)[C@H](OCc2cccc(I)c2)C1 2367353084 QMGFFNOPQQAOQL-KWCYVHTRSA-N 500.114 3.953 50 10 KHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 100314022 WLAAHORWJLBCAJ-IBGZPJMESA-N 561.502 3.558 50 10 KHGE C=CCOc1c(Br)cc(C=NNC(=O)C(=O)NN=Cc2cc(Br)c(OCC=C)c(OC)c2)cc1OC 252593451 BJYNJBDJGPUSNK-UHFFFAOYSA-N 624.286 3.959 50 10 KHGE O=S(=O)(Nc1cc(I)ccc1Br)N1CCC(Br)CC1 2105894165 VQLXODVWCYQCRH-UHFFFAOYSA-N 524.016 3.570 50 10 KHGE C[C@@]1(CBr)COCCN1C(=O)c1cc(I)ccc1Br 2112714376 WTUNYQFSEIWOMF-CYBMUJFWSA-N 502.972 3.680 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2207259165 KEXYNAOEYUMFNP-WLTAIBSBSA-N 514.983 3.536 50 10 KHGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c(Br)c1 100053695 OSIKFBUEMPAMPO-UHFFFAOYSA-N 551.029 3.888 50 10 KHGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 150411527 RCAYTISJCRIUOD-OHYDGAEDSA-N 667.769 3.706 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214321612 VWIFQIZDTOCFCQ-XPRKOMQSSA-N 571.659 3.561 50 10 KHGE O=C(NN=Cc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1 252625142 QEENFRZTOCFHLY-IAFDGEETSA-N 512.566 3.717 50 10 KHGE BrC[C@@H]1CC[C@@H]2CN(c3ncc(I)cc3Br)C[C@H]2O1 2273540148 ZVSSJZBQNUJSNA-UBHAPETDSA-N 501.988 3.827 50 10 KHGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccccc1I 100076891 AOIKHVZAVVTOLF-UHFFFAOYSA-N 584.233 3.921 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)c(Br)c1 100162701 DOKRHSWQGTUKSW-UHFFFAOYSA-N 558.454 3.930 50 10 KHGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 102122502 YYFVSQRXNHJUNL-IQTRMIALSA-N 535.944 3.964 50 10 KHGE CCOc1cc(C=NNC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)ccc1OCc1ccc(F)cc1 254506636 VVLPFMBTACTIAX-UHFFFAOYSA-N 542.531 3.780 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 254764396 CUEQNAUEZWXTRD-UHFFFAOYSA-N 543.601 3.799 50 10 KHGE CC1(C)[C@]2(C(=O)NNC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)CC[C@@]1(C(Br)Br)[C@H]2Br 256018941 BEFXHGRXLPDPLG-RDHZRAOUSA-N 599.158 3.942 50 10 KHGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)CCN4CCOCC4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868456080 JEGXEOYAAFFAQF-UHFFFAOYSA-N 547.660 3.970 50 10 KHGE Brc1ccc(I)cc1CO[C@@H]1COC[C@@H]1I 1902315754 QOCFRWNKGKSVMZ-WDEREUQCSA-N 508.919 3.773 50 10 KHGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1956235165 XRIMEFSZSAIOGW-ZHRRBRCNSA-N 511.413 3.626 50 10 KHGE O=C(NCC1(CBr)CCOCC1)c1ccc(Br)cc1I 2207276466 WRDKNCPCURUNFJ-UHFFFAOYSA-N 516.999 3.975 50 10 KHGE BrC[C@@]12CCCO[C@H]1CN(c1ncc(I)cc1Br)C2 2230625564 ORUZUPCKKSBMPI-WCQYABFASA-N 501.988 3.829 50 10 KHGE O=S(=O)(Nc1c(I)cc(I)cc1I)N1CCC(Cl)CC1 2240604550 MIFWJZWGFVTKAG-UHFFFAOYSA-N 652.461 3.860 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)c2ccccc2CCl)C1 2272034764 YIVQNLXKKUPRNQ-UHFFFAOYSA-N 504.049 3.560 50 10 KHGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)ccc1OS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 2297367074 YCEHEQHSBRKWLN-UHFFFAOYSA-N 529.578 3.902 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 12579297 DBALZUMBVHPXEA-UHFFFAOYSA-N 514.376 3.946 50 10 KHGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14016390 NXRAXLHIHILEFZ-UHFFFAOYSA-N 507.612 3.587 50 10 KHGE O=C(NNC(=O)c1ccccc1I)c1ccc(OCCOc2ccccc2)cc1 14039452 CIZXEROYNCLWRJ-UHFFFAOYSA-N 502.308 3.824 50 10 KHGE Cc1cc(OCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)cc(C)c1Cl 100091596 JKIZMNZIGDOPAN-UHFFFAOYSA-N 587.460 3.907 50 10 KHGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 1872961058 IEBFJTSGLIHGQT-GJZGRUSLSA-N 543.468 3.854 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642594 UNUCCJSFGMVRKV-LUROOHPNSA-N 602.084 3.677 50 10 KHGE O=C(CCC(=O)N1CCN(Cc2ccccc2)CC1)NNc1nc2ccccc2c2nc(-c3ccccc3)nn12 101475491 OHAHUBNQBDZYBF-UHFFFAOYSA-N 534.624 3.512 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OC)c(OCn2cccn2)c1 103929118 YJGBIDHPQWLRMY-IIELIFRRSA-N 546.657 3.949 50 10 KHGE COC(=O)C(=C(/C(=O)OC)P(c1ccccc1)c1ccccc1)/C(C(=O)OC)=C(\C(=O)OC)c1ccccc1 104113840 PIZZNCNSBRXZDQ-RIIXPHEHSA-N 546.512 3.519 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cc(OC)ccc1OC 105151574 GNRNOYOILRTDFP-LGJNPRDNSA-N 592.463 3.940 50 10 KHGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1OS(=O)(=O)c1ccc(C)cc1 254867572 HPLJXQANSZSHGL-UHFFFAOYSA-N 565.633 3.568 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C(=O)CCl)CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 716275600 AGTVKIAZYQUXOD-UHFFFAOYSA-N 549.109 3.779 50 10 KHGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)NC(C)(C)C)o2)S(=O)(=O)c2ccc(C)cc2)cc1 1084447821 YNHIQZTULDAKSZ-UHFFFAOYSA-N 524.643 3.652 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744183 RNJOGVWGGPOPBA-UHFFFAOYSA-N 539.386 3.661 50 10 KHGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1ccc(I)c(Br)c1 2101330693 DFNHYLGTMLVCNP-WCBMZHEXSA-N 502.972 3.584 50 10 KHGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)=C(C#N)C1=O 2314611271 RXMPIECLYQMOCI-NRFANRHFSA-N 585.686 3.951 50 10 KHGE CSCC[C@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 2331924540 ULCSRPKHZVDWRH-QFIPXVFZSA-N 532.713 3.790 50 10 KHGE O=C(NC(=S)NNC(=O)c1ccccc1I)c1ccc(-c2ccccc2)cc1 12500676 ZEOJHOPCEKKCLO-UHFFFAOYSA-N 501.349 3.908 50 10 KHGE CCOC(=O)COc1ccc(Br)cc1C=NNC(=O)CC[C@@H](O)c1ccc(OCC)cc1 725430068 MFZFLZHGJXEUJO-HXUWFJFHSA-N 507.381 3.754 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)ccc2O)nnc1-c1ccc(Br)cc1 1084241825 ZFQCLBPGQWSLJG-UHFFFAOYSA-N 554.268 3.912 50 10 KHGE CN1CC[C@H]([C@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2029051862 PIXWHNLGCSXTMF-GHMZBOCLSA-N 509.001 3.524 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)N2CCC(Br)CC2)CC1 2220637124 QAXNCNZEUQKWMH-UHFFFAOYSA-N 519.481 3.756 50 10 KHGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@@H]3CCCO3)c2)C[C@@H](C)O1 2314475816 CTPXKAKBZPVSMY-LOYIFYEOSA-N 575.691 3.539 50 10 KHGE COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc(OC)c1OC 100181993 DSILIUCTEIPOHY-UHFFFAOYSA-N 554.463 3.849 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cnn(C(C)C)c1 104425155 VLFQEJYNYVCVQO-YSURURNPSA-N 564.457 3.701 50 10 KHGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 214259559 RXMPIECLYQMOCI-CPYLFOLBSA-N 585.686 3.951 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC(=O)O)c(I)c2)cc1 1084636909 OKKKOGCKHIYJDM-GOSISDBHSA-N 605.223 3.880 50 10 KHGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687565 VCOCWZVVHRHRQD-MHZLTWQESA-N 547.631 3.961 50 10 KHGE O=CC=Cc1cc(I)cc(I)c1I 1951365357 HEKNXYILLVSVEQ-UHFFFAOYSA-N 509.850 3.713 50 10 KHGE O=S(=O)(NCCOCCCI)c1c(Cl)cc(Br)cc1Cl 2160291461 ZEZBBELFGARWTR-UHFFFAOYSA-N 517.010 3.876 50 10 KHGE O=C(O)COc1ccc(Br)cc1C=NNC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2296645829 HIVUSVSVTPJTFI-UHFFFAOYSA-N 567.352 3.742 50 10 KHGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2296721731 JRFPRIKKHCBOTC-UHFFFAOYSA-N 548.559 3.839 50 10 KHGE N#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100451941 WLGGBJMTVXROHO-NSTHGIQOSA-N 542.171 3.920 50 10 KHGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083958306 YKLVTYUUGQWBRL-UHFFFAOYSA-N 538.626 3.706 50 10 KHGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1C 1084069937 JBPCCBQUHZTDEM-SSEXGKCCSA-N 633.796 3.925 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1 1866809315 MSQPBUHOPDFWSV-RUZDIDTESA-N 536.635 3.878 50 10 KHGE N#CSc1ccc(NC(=O)CNC(=O)c2cc(-c3ccc(Cl)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 1868133253 ZAOZIWWHCFIUDP-GOSISDBHSA-N 530.031 3.505 50 10 KHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCCCBr)CC1 2283136674 DNOGGEYKYFIESB-OAQYLSRUSA-N 503.434 3.618 50 10 KHGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 2314475870 DUFKYVWGYHTZKG-UHFFFAOYSA-N 501.612 3.923 50 10 KHGE BrC[C@]12COC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2349829648 PABFGCLLHFDAKD-RISCZKNCSA-N 501.000 3.897 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600343 OSOOFSICZCXXIG-NLRVBDNBSA-N 509.906 3.695 50 10 KHGE COc1ccc(Br)cc1/C=N/NC(=O)CN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 103811217 UYXQOPJNLBWQCX-AFUMVMLFSA-N 527.400 3.564 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 214432096 SJRYUKOBGMTVBH-XYGWBWBKSA-N 555.547 3.619 50 10 KHGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Br)cc1)c1ccccc1 252642017 ZIEYIOCBZGEYMT-QGZVFWFLSA-N 523.387 3.794 50 10 KHGE C=CCc1cccc(C=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)c1O 1084461299 JIHBJMSQVNZHRH-UHFFFAOYSA-N 515.437 3.878 50 10 KHGE CS(=O)(=O)SCCNC(=O)[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 1085210269 ACUCNTBNWRWVMU-XINZFJMUSA-N 831.096 3.514 50 10 KHGE COc1cc(C(=O)NC(=Cc2ccc(F)cc2)C(=O)NN=Cc2ccc(N(C)C)cc2)cc(OC)c1OC 2053622906 UNLMIMWNEGNUIJ-UHFFFAOYSA-N 520.561 3.839 50 10 KHGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1S(=O)(=O)N1CCC(Br)CC1 2163054028 SVRNEIFTRFLZJP-UXHICEINSA-N 502.475 3.602 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 40884493 LWFDLSMIQLRWGD-CAOOACKPSA-N 506.427 3.856 50 10 KHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccccc1I 100076924 GTVLUTKJDLZRBE-UHFFFAOYSA-N 565.220 3.652 50 10 KHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100157167 IZWXMBCWLMBKED-UHFFFAOYSA-N 545.253 3.713 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1Br 100215434 HOOPZUSFMXRLDF-UHFFFAOYSA-N 545.253 3.633 50 10 KHGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc(OC)c1OC 100869933 BMPYEFTZWJELCY-DHRITJCHSA-N 524.442 3.512 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(B(O)O)cc1C 2283963362 LFCAMDGOYPOZDL-WGDIFIGCSA-N 520.460 3.648 50 10 KHGE CCOc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccc(Cl)cc1 2328792566 YHZQPKIHSDTMFQ-UHFFFAOYSA-N 506.946 3.884 50 10 KHGE COc1cc(SC#N)ccc1NC(=O)N/C=C1\C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 101350108 LWGSJHCPINYEPX-NTEUORMPSA-N 544.387 3.936 50 10 KHGE O=C(N/N=C1\CCSC1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 102933651 MZIOXMQENMUGQS-XSFVSMFZSA-N 542.711 3.634 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 214432737 RLGJQSHXDKKHTD-IWIPYMOSSA-N 558.566 3.859 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(F)cc1 1084209995 RJIWOLPJYNBQHK-UHFFFAOYSA-N 518.408 3.972 50 10 KHGE COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)(C)C)C(C)(C)C 1848436016 CUXBSWCTEGIRQD-YXOGWZJSSA-N 646.833 3.814 50 10 KHGE CO[C@@H]1C[C@H](NC(=O)c2cc(I)ccc2Br)C[C@H]1Br 2130821020 IABURBPOCAHBKU-GGZOMVNGSA-N 502.972 3.724 50 10 KHGE O=C(C=Cc1cccc2ccccc12)NNC(=O)CCC(=O)NNC(=O)C=Cc1cccc2ccccc12 2293556292 MNTNMMYMUMUZDA-UHFFFAOYSA-N 506.562 3.795 50 10 KHGE O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCOCCOCCOCCNC(=O)CCSSCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21 150671012 ZJVGOGQIAYMKAS-ZAZQKZRESA-N 869.145 3.609 50 10 KHGE CCOC(=O)COc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OCC 1084047119 NSPKUZIFZVJCFP-OAQYLSRUSA-N 598.434 3.994 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746676 FCADTIJZYLHTEW-UHFFFAOYSA-N 523.933 3.624 50 10 KHGE CC(C)[C@@H](NC(=O)CCOCCNC(=O)OCC1[C@H]2CCC#CCC[C@H]12)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2049382288 AGARCEMRBHGQGE-UBTNPOEUSA-N 835.912 3.896 50 10 KHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2I)C[C@H]1Br 2142279086 LSYFCKHLHUOPGU-HLUHBDAQSA-N 502.972 3.724 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc4ccccc4n3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642627 XFMJRLJCUHDBBO-BGEIVDIYSA-N 573.690 3.663 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 2349644077 GPLALDNTGVDNIZ-XCGNWRKASA-N 505.703 3.725 50 10 KHGE CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 35447587 LIHPGBDKBLDUNG-QGUWTQRLSA-N 503.628 3.859 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1ccccc1Cl 100083061 ZWVFDAMDVDWDNO-UHFFFAOYSA-N 565.671 3.653 50 10 KHGE O=C(CCCO)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 105434168 OKRHOMGZHHXVKJ-QHLWMXTJSA-N 558.432 3.874 50 10 KHGE COC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 1084151497 UHCDFORWBBVEGR-UHFFFAOYSA-N 550.420 3.891 50 10 KHGE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1OC 1858666059 QNFVZVFKGGXXBA-UHFFFAOYSA-N 526.596 3.717 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2285024117 HFGYNMKSYRJHEW-HSZRJFAPSA-N 508.330 3.537 50 10 KHGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(S(=O)(=O)O)c1 2324197037 FWCYWDJNHSRECC-UHFFFAOYSA-N 502.596 3.686 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CCC)cc1 14654127 NLDHDNLBYWRAAF-UHFFFAOYSA-N 521.437 3.926 50 10 KHGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 38658493 LWMCDEMSHBOXNC-RUZDIDTESA-N 503.467 3.815 50 10 KHGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1OC 100869823 QBNIAUZFPQMXAF-DPNNOFEESA-N 609.632 3.618 50 10 KHGE N#C/C(=C\c1cc(I)cc(I)c1O)C(=O)N1CCN(c2ccccc2)CC1 103882555 XZQKNPJQTJNPFZ-XNTDXEJSSA-N 585.183 3.857 50 10 KHGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 206488102 RSZWBYSHLKYQII-JXAWBTAJSA-N 535.509 3.835 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCC(=O)O)c(OCC)c2)cc1 1084271553 PBAIJVPOCLJDDY-IBGZPJMESA-N 523.380 3.674 50 10 KHGE CC1(C)CC[C@H](Br)[C@H](CNS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2164512014 FINUZFYOMXFCIZ-XXHMAFKTSA-N 503.434 3.520 50 10 KHGE ClCCc1nc2cncnc2n1-c1cc(I)cc(I)c1 2235271273 YGROHENPKBGQOP-UHFFFAOYSA-N 510.504 3.806 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214316439 XHKOLGBHDBNWMY-VEILYXNESA-N 609.664 3.946 50 10 KHGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)[nH]1 253567133 JTDNTJNTPMAOJZ-FCUAXUHVSA-N 560.478 3.876 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(Br)cc2)cc1 1084254485 CDPHRENNIPJONQ-UHFFFAOYSA-N 557.470 3.791 50 10 KHGE N#CC(=Cc1ccc(OC(F)F)cc1)C(=O)NCCNC(=O)C(C#N)=Cc1ccc(OC(F)F)cc1 2053614241 ICETVJXAIQGTDX-UHFFFAOYSA-N 502.424 3.636 50 10 KHGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1CC2(CN(Cc3ccccc3)C2)C1 2123361292 DFXAYZQDXBIAFY-UHFFFAOYSA-N 500.256 3.851 50 10 KHGE C[C@@H](Br)COCc1cn(-c2ccc(I)cc2Br)nn1 2278382419 JKXXQYSQFMNDIQ-MRVPVSSYSA-N 500.960 3.934 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Br 2296728666 ATSAUMXDCJFPLH-IBGZPJMESA-N 541.427 3.521 50 10 KHGE CSCC[C@H](Br)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338848516 XNZKQAIAXWQHNY-MRXNPFEDSA-N 505.500 3.669 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H](NC(=O)OC(C)(C)C)C12CCC2 2345251301 ODDOGUOQGFDJIF-NYHFZMIOSA-N 505.703 3.773 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869722 WGMZBXQMFXGXIL-FDAWAROLSA-N 578.578 3.890 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)c2ccccc2F)cc1 1084009787 RVQNJFUGIRNUEO-UHFFFAOYSA-N 513.616 3.974 50 10 KHGE C=CCOc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 1084453845 WJPIGLMQFGKUQU-UHFFFAOYSA-N 534.638 3.594 50 10 KHGE O=C(NC[C@@H]1C[C@@H](Br)CCO1)c1ccc(Br)cc1I 2142284061 XVTUQSJDDAQCIO-UWVGGRQHSA-N 502.972 3.726 50 10 KHGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14660627 HBDBJXMDJQLSMU-UHFFFAOYSA-N 500.404 3.513 50 10 KHGE O=C(NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101493294 ADBWREZZFODKSO-UHFFFAOYSA-N 522.865 3.613 50 10 KHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2OC)cc1 254387186 VLUVPEBNVQKKJF-UHFFFAOYSA-N 545.577 3.920 50 10 KHGE C[C@@H](Oc1c(Cl)cccc1C=NNC(=O)c1cc(F)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159599 PDZGLSRAKUZEKC-GFCCVEGCSA-N 525.967 3.957 50 10 KHGE Cc1nc(I)c(I)n1-c1nc2ccccn2c1CBr 2088991814 DNOWZACGPJGJTJ-UHFFFAOYSA-N 542.944 3.933 50 10 KHGE O=S(=O)(c1cc(CBr)ccc1Br)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2123267864 IROSQLNGVRVIDT-SJORKVTESA-N 500.256 3.991 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2283972310 QWOFECUKAXVXOB-BZQUYTCOSA-N 508.330 3.537 50 10 KHGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)o1 2313619267 ZMWWLRWEAMZBSB-UHFFFAOYSA-N 531.226 3.536 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1C 14654119 DLIIHONYVOTUJU-UHFFFAOYSA-N 514.829 3.914 50 10 KHGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)c1 20220908 LVPPAPRCNIKYGS-XSFVSMFZSA-N 514.563 3.669 50 10 KHGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)cc1 33371750 UIVSKFIARABBNB-PLRJNAJWSA-N 525.634 3.664 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 100228303 LDRNTEKGWXZRRO-UHFFFAOYSA-N 541.427 3.968 50 10 KHGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(I)o1 101649409 XZARSZQMNBRHOP-UBKPWBPPSA-N 527.938 3.938 50 10 KHGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)N1CCOCC1 101727416 KPGWDONTHWWALZ-UVHMKAGCSA-N 561.085 3.952 50 10 KHGE O=C(CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)NNc1ccccn1 301362979 OQNZHWGKYUDXDU-JOCHJYFZSA-N 506.584 3.640 50 10 KHGE ClCc1cc(Br)cnc1-n1cnc(I)c1I 390415865 LUPXHEUHFLWORE-UHFFFAOYSA-N 524.325 3.978 50 10 KHGE O=C(N[C@@H](C[S@](=O)CC1CC(Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893205531 VYLPSXAFSPGXBB-OMKREUEKSA-N 506.418 3.901 50 10 KHGE CC(C)(C)OC(=O)NCCCN(c1cccc(Br)c1)S(=O)(=O)CI 2007707657 JFJOUVRVIRUOOA-UHFFFAOYSA-N 533.226 3.893 50 10 KHGE Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1921419 UHNXFYHYFWFKGH-HSZRJFAPSA-N 543.645 3.662 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)c(Br)c1 10283730 MCYSULSBJGLNGR-UHFFFAOYSA-N 508.438 3.761 50 10 KHGE Cc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1I 100065065 TUSWOZAYMVEHJO-UHFFFAOYSA-N 568.003 3.965 50 10 KHGE CCOc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254350782 SENOGFOURLIJBB-RTWAWAEBSA-N 515.570 3.538 50 10 KHGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccc(F)cc3)[C@@H]2C)c(OC)c2c1OCO2 263629805 IVINAXBERJFNBP-QFYYESIMSA-N 508.300 3.548 50 10 KHGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 2313892238 BYCJVQZDCGAOIW-UHFFFAOYSA-N 512.813 3.615 50 10 KHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)c1cc(Br)ccc1O 59152594 HYWHFCYRJVSTHX-ZVBGSRNCSA-N 503.269 3.538 50 10 KHGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 101013762 BBZRGCDQSJNBAE-RZWQSRIRSA-N 531.638 3.546 50 10 KHGE O=C(CI)Nc1c(I)cc(I)cc1I 203527388 JJVJVVGDKOEWNY-UHFFFAOYSA-N 638.750 3.874 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 1084383742 HFXWKIHCABWFHD-UHFFFAOYSA-N 583.663 3.770 50 10 KHGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc1OC 1772760510 JPVWMCLTFPULIQ-UHFFFAOYSA-N 519.583 3.840 50 10 KHGE CSCC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866626893 GTEDILUXVFPWRT-OAQYLSRUSA-N 518.686 3.680 50 10 KHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2cc(I)ccc2Br)C1 2109026166 ZUCGAGBKMBRPPZ-SCZZXKLOSA-N 502.972 3.678 50 10 KHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCCCCCC1 2164487100 JJTGYBKPMBAWKX-HXUWFJFHSA-N 503.434 3.808 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2285006083 HFGYNMKSYRJHEW-QHCPKHFHSA-N 508.330 3.537 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc1Br 14770874 AGVZGOCJPAMSOZ-UHFFFAOYSA-N 500.802 3.524 50 10 KHGE COc1cccc(OCC(=O)N/N=C/c2ccc(OC)c(Cn3nc(C)c(Br)c3C)c2)c1 20294351 HTUCROUTNDSNEJ-BRJLIKDPSA-N 501.381 3.857 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/Nc1c(Br)cc([N+](=O)[O-])cc1Br 101235268 WMNWKHRETARJTI-ZBQKXELDSA-N 540.168 3.803 50 10 KHGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214203808 QIHJKLFPIMDAQN-UQQQWYQISA-N 541.633 3.936 50 10 KHGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214306332 UHHKNDATSOIADV-BRPDVVIDSA-N 629.739 3.968 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc(Br)ccc3O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530909 CZMITVFZEVPIFM-RCLSKHPJSA-N 617.537 3.583 50 10 KHGE biogenic CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 1083986190 OILFGNJOPBLSRK-UHFFFAOYSA-N 568.608 3.661 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746911 BJCUGZOPBAZLLK-UHFFFAOYSA-N 554.903 3.603 50 10 KHGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1OC 2314729081 UXIMKXHNRQJNJI-UHFFFAOYSA-N 507.572 3.847 50 10 KHGE CCOC(=O)c1c(NC(=O)c2ccc(N/C=C3/C(=O)NC(=O)C(C#N)=C3C)cc2)sc2c1CCCC2 2137969 XOIIWFMPXVVAFS-CPNJWEJPSA-N 504.568 3.848 50 10 KHGE Cc1cccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 12500780 DJBFCMOARUQWPP-UHFFFAOYSA-N 515.227 3.543 50 10 KHGE O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cc(Br)cc(I)c1O 58887398 FTLDNAQNHSHEFC-VYXQJKENSA-N 503.134 3.723 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596880 BMKUUBXEZBKECW-MTDXEUNCSA-N 545.379 3.911 50 10 KHGE O=C(CCCO)NN=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 1084394201 OKRHOMGZHHXVKJ-FPWWFTSNSA-N 558.432 3.874 50 10 KHGE CCO[Si](CCCNC(=O)CCOCCOCCOCCNC(=O)O[C@H]1CCC=CCCC1)(OCC)OCC 1857791907 ZXQAFZQBZKLJGI-VWLOTQADSA-N 576.804 3.596 50 10 KHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(N3CCN(c4ccccc4)CC3)nc12 33551760 HPNIPCXIPBUURB-DAFNUICNSA-N 518.621 3.595 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100088233 ZNDHLXSXYXUUGR-UHFFFAOYSA-N 535.645 3.888 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)cc1I 100162112 FAPJDKDNBQQVGJ-UHFFFAOYSA-N 532.334 3.832 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccccn3)n2-c2ccccc2)cc(OC)c1OC 254761444 ZMUAUQQJCFEGLR-UHFFFAOYSA-N 504.572 3.598 50 10 KHGE Cc1c(CN=[N+]=[N-])cc(B(O)O)c(C)c1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887551671 XPWRTBIUWBYEFW-UHFFFAOYSA-N 511.391 3.865 50 10 KHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C1CCCCC1 2164491734 IYTNDPMCVZTMHG-GHTZIAJQSA-N 503.434 3.664 50 10 KHGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OC)c1 103746568 PNABTZMHLCQKTK-GJISQHIDSA-N 535.556 3.717 50 10 KHGE CC(=NNC(=O)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C(=O)NN=C(C)c3cccnc3)cc2)cc1)c1cccnc1 254698970 CVXUOCYMMSFNEY-MEKGRNQZSA-N 594.628 3.941 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccco2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084098881 WQNWKMIXZWRHFS-UHFFFAOYSA-N 506.378 3.786 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(C)c1ccc(N)cc1 1084141111 KHFLBOJQQGZVCY-UHFFFAOYSA-N 561.453 3.896 50 10 KHGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1cc(Br)ccc1I 2206483781 GHJUEKWKVZKYIT-NEPJUHHUSA-N 514.983 3.869 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 2297506440 QKMXCVRLPUMNBQ-UHFFFAOYSA-N 528.594 3.599 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCC(=O)N/N=C/c2cc(Br)c(O)c(OCC)c2)cc(Br)c1O 100869643 YYHSKNSAQFPATL-KOZSXFMUSA-N 600.264 3.801 50 10 KHGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 100869951 AGJIOWFQEUSMAG-OCSSWDANSA-N 564.551 3.500 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597502 ZXNRLMOXXSKAMJ-NLRVBDNBSA-N 554.357 3.804 50 10 KHGE CC(C)C1=C/C(=N/S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@](C)(Br)[C@@H](Br)C1=O 111922570 CYMLLQJWPBLHBV-QYIVHRSDSA-N 508.188 3.807 50 10 KHGE CC(C)(C)OC(=O)NNC(=O)[C@@H]1[C@H](C(=O)O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 226084371 VJZQCLUHXUVMQC-NCCMUGIUSA-N 502.993 3.705 50 10 KHGE CSCCOC(=O)COc1ccc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 254866100 ZGEPDVFFLYNCFI-UHFFFAOYSA-N 555.678 3.702 50 10 KHGE COc1ccc(CN(C(=O)/C=C\C(=O)O)[C@H]2CC(=O)N(c3ccc(OCCCCCCl)cc3)C2=O)cc1 1084022188 SRLVVUBITGILDP-DSTYWPJMSA-N 528.989 3.785 50 10 KHGE Cc1c(NC(=O)C(C#N)=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 2297382448 VHGKUMUMGAERJM-UHFFFAOYSA-N 526.622 3.990 50 10 KHGE Cc1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)c(Br)c1 12490086 NUKUMJDPPROACO-UHFFFAOYSA-N 500.187 3.742 50 10 KHGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 14022082 PZEMWDKNHGDFOV-UHFFFAOYSA-N 511.385 3.665 50 10 KHGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1ccccc1I 100079161 VMDXZHQSXWGPDO-UHFFFAOYSA-N 584.233 3.921 50 10 KHGE COC(=O)c1cc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc(C(=O)OC)c1 101508272 JDVYCXOQSJCJMY-UHFFFAOYSA-N 526.553 3.651 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615052 GEDXNGUCSIZKQG-VPUKRXIYSA-N 567.374 3.561 50 10 KHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618929 NOWIKQXGBJJHSE-TWKHWXDSSA-N 511.538 3.690 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 214432269 TYFLQDQSZYGXKT-XYGWBWBKSA-N 555.547 3.619 50 10 KHGE COc1cc(C=NNC(=O)C(=O)NCCc2ccccc2)cc(I)c1OCC(=O)Nc1c(C)cccc1C 252626254 QZFCWSYNFYMHSP-UHFFFAOYSA-N 628.467 3.743 50 10 KHGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3ccc(F)cc3Cl)c3ccccc23)C1 254741179 VTPIVXJKZNOAHB-SFHVURJKSA-N 505.015 3.994 50 10 KHGE COc1cc(Br)cc(C=NNC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c1O 1082989089 JLEVIWIOFCCEOO-HVPJZHIDSA-N 539.342 3.993 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1Cl 1083987290 HZBFEANXVJILCF-UHFFFAOYSA-N 559.044 3.591 50 10 KHGE CSCC[C@@H](NC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1867078810 ULCSRPKHZVDWRH-JWIKTPOESA-N 532.713 3.790 50 10 KHGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313567481 JYNZBMWGSKXLLM-UHFFFAOYSA-N 538.254 3.904 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2350361855 UXXQDTRUXYKFGZ-TWJGEFDFSA-N 505.703 3.629 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1C 14650261 GOFQIZZRHJVQQS-UHFFFAOYSA-N 508.438 3.959 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 59475515 MHMASEVCDFLFBH-VSWHYLHOSA-N 510.620 3.733 50 10 KHGE CCCCCCOc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 252426639 INZACIMZNYCMHW-LYCSZFELSA-N 592.423 3.980 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)c1 2314617666 PZOPFFMJNRRUEN-UHFFFAOYSA-N 529.622 3.792 50 10 KHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016409 SRRQYHNEXNTYKV-HXUWFJFHSA-N 513.660 3.947 50 10 KHGE C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 100090231 CMPRMEQKHNHOEI-YZSQISJMSA-N 535.464 3.679 50 10 KHGE CCCCCCCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100171160 JRHCKOUZYBTAKQ-UHFFFAOYSA-N 509.264 3.973 50 10 KHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 100194120 VQPUTXLDNKQFJY-UHFFFAOYSA-N 533.448 3.782 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCCN1CCOCC1 1865687639 WMGRTYSGYWYZJO-QHCPKHFHSA-N 555.557 3.888 50 10 KHGE C[C@@H](CBr)N1CCN(C(=O)c2cc(I)ccc2Br)CC1 2169358066 KEHLIBXMFIQQRC-JTQLQIEISA-N 516.015 3.595 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2268644718 NEKXIBJVSQDLHA-PUAOIOHZSA-N 506.795 3.912 50 10 KHGE C[C@@H](Br)COCc1cn(-c2cc(I)cc(I)c2)nn1 2278381715 BFDZZRDUOJNNFZ-MRVPVSSYSA-N 547.960 3.777 50 10 KHGE CN(C)C[C@H]1C[C@H](Br)CN1Cc1ccc(I)c(Br)c1 2349862155 MSPRIFKGEVHADB-NWDGAFQWSA-N 502.032 3.953 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(I)c1OC(C)=O 867465 RZVUJBCUJCJSOI-XGICHPGQSA-N 525.230 3.818 50 10 KHGE C/C(=N/NC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1 33906392 UCUHFWIFSHROPY-WHXCVRPHSA-N 518.371 3.697 50 10 KHGE O=C(C[S@](=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12 100989219 YDDUJSKUUCOSLF-DIPNUNPCSA-N 577.427 3.571 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(c(O)c32)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O4)cc(OC)c1OC 105814792 HDTALITUGUDJSK-PLQXJYEYSA-N 614.611 3.880 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)NN=Cc1cc(OC)ccc1O 1084124412 HTMQCITUOUHGNW-UHFFFAOYSA-N 598.703 3.847 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc(Br)c1O 1865688841 CHCGNHDTQPRFGM-CQSZACIVSA-N 508.254 3.981 50 10 KHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2cc(I)ccc2Br)C1 2109026168 ZUCGAGBKMBRPPZ-WPRPVWTQSA-N 502.972 3.678 50 10 KHGE C=C[C@]1(CBr)COCCN1C(=O)c1ccc(Br)cc1I 2207264456 FUBMRWLCYXAJAV-AWEZNQCLSA-N 514.983 3.846 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 100087330 UDDZXNFDVMBLHY-UHFFFAOYSA-N 565.671 3.653 50 10 KHGE O=C(Cl)c1c(I)cc(I)cc1I 144984724 HRMQJJGGCUYILB-UHFFFAOYSA-N 518.257 3.879 50 10 KHGE C[C@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@@H](CBr)O1 235666355 IEFGYBHDFKUBIM-WCBMZHEXSA-N 502.972 3.678 50 10 KHGE COc1cccc(C(=O)NN=c2oc3c(OC)cccc3cc2C(=O)NCCc2ccc(OC)c(OC)c2)c1 254759033 PSGUZOZNTSYCGG-UHFFFAOYSA-N 531.565 3.685 50 10 KHGE O=C(CC(=O)NN=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)NN=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 254814787 NWNWTGPHJJSJLQ-UHFFFAOYSA-N 728.543 3.748 50 10 KHGE CC(=O)O[C@@H]1[C@H](CI)O[C@H](Oc2ccc(Oc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 504285781 WMDFAFFCJRGMPH-JTKSJCOOSA-N 584.359 3.813 50 10 KHGE biogenic COC(=O)Oc1ccc(C=NNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1OC 1084000478 QQGXHJLDYLCWRD-UHFFFAOYSA-N 525.583 3.803 50 10 KHGE COc1c(OC(C)=O)ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1[N+](=O)[O-] 2293239168 HDMVWVFGZZAPTP-UHFFFAOYSA-N 545.552 3.516 50 10 KHGE O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C1\C(=O)Nc2ccccc21 653384 LBHOFXFEILQIQQ-UHFFFAOYSA-N 504.138 3.611 50 10 KHGE CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F 97977336 MOJQBNGTBRYNMF-FCDROCEGSA-N 839.961 3.781 50 10 KHGE in-vitro Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)cc1C 100081541 HSVNXDXMRXGVMO-UHFFFAOYSA-N 600.333 3.956 50 10 KHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1C 100087244 KMZABLSLHJCXFI-UHFFFAOYSA-N 541.855 3.539 50 10 KHGE N#C/C(=C\c1cc(I)cc(I)c1O)C(=O)NCc1ccccc1 100461049 ZNTYMSZKQCVVSG-AWNIVKPZSA-N 530.103 3.825 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c1 214435432 YCWSXKSTWWIDMT-BRPDVVIDSA-N 645.738 3.742 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CCOC[C@H](CBr)C1 2098237756 NDUXXGBGDILHAM-SECBINFHSA-N 502.972 3.537 50 10 KHGE C[C@@H](NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C12CC3CC(CC(C3)C1)C2 2324901957 VHYWXWCVWQJZSV-ZFGQVMFLSA-N 533.094 3.901 50 10 KHGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N1CCN(c2cccc(Cl)c2)CC1 101513208 CZXFEUWMDZFVAM-UHFFFAOYSA-N 522.824 3.868 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(Cl)c2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859005495 RZKFKDPQRPYESB-UHFFFAOYSA-N 521.910 3.837 50 10 KHGE CC/C(=C\C(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867115541 HIHVABIOIUEUPT-ATEOEAFZSA-N 504.406 3.940 50 10 KHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142285278 NSCIMGRAWSTFEE-UWVGGRQHSA-N 502.972 3.678 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CCN(CCCBr)CC1 2169928569 WXEPWUGETKCXSK-UHFFFAOYSA-N 516.015 3.597 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C 2200957511 BYUPFQBTWKHTFL-SFHVURJKSA-N 515.698 3.850 50 10 KHGE CC(C)(C)C1CC(CBr)(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2289839520 FDQJDLHZNQVVCY-RDCFFDHZSA-N 503.434 3.520 50 10 KHGE CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2C=C(C#N)c2nn(CCO)c(N)c2C#N)CC1 2297278798 JHVKTLCKUJBBQF-UHFFFAOYSA-N 518.622 3.774 50 10 KHGE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2350358847 ZEOMXQKYWUQVBE-AOMKIAJQSA-N 507.719 3.973 50 10 KHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(F)c(CBr)cc1F 2368824358 GDVSAAKBCJYRLE-IBGZPJMESA-N 505.312 3.626 50 10 KHGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)Cc1cccc2ccccc12 13979241 MFVPXMHXGGHCMD-UHFFFAOYSA-N 506.809 3.899 50 10 KHGE COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c(=O)c1C#N 59639897 LNUWUDILTLVXIX-KVSWJAHQSA-N 524.419 3.804 50 10 KHGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)cc1 102686894 UWPUKYVMSIDTBT-PLRJNAJWSA-N 525.634 3.976 50 10 KHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)cc1)Nc1ccc(F)cc1 725434190 IFIVAPZGBSWNKP-UHFFFAOYSA-N 513.323 3.695 50 10 KHGE O=C(NN=Cc1c(O)cc(O)cc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084582020 LKJDCWMEEAFLBF-UHFFFAOYSA-N 514.194 3.992 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)c(Br)c1 13978616 DCQDCWAWKMDFKC-UHFFFAOYSA-N 522.465 3.923 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1I 100083523 NJSYZKDYNSDNPG-UHFFFAOYSA-N 579.247 3.961 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1I 100145556 LYVSVWSHYHBCIL-ZDUSSCGKSA-N 549.390 3.556 50 10 KHGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c1 101341629 XISCFNVMPFTAIF-YZSQISJMSA-N 540.576 3.720 50 10 KHGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCc3ccccc32)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254405499 GYMRBMPANQSXES-UHFFFAOYSA-N 655.588 3.567 50 10 KHGE O=C(NP(=O)(N1CCCC1)N1CCCC1)C1=C(N2CCOCC2)C(=Cc2cccc([N+](=O)[O-])c2)CC1 2053566888 GPKRGIXAIFEXLO-UHFFFAOYSA-N 515.551 3.774 50 10 KHGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 2313864267 HCBVIIKNORHNDR-UHFFFAOYSA-N 547.656 3.979 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2370253831 KGHXCQHKUCHYTN-HZPDHXFCSA-N 511.360 3.573 50 10 KHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)c1C 14667405 PPJXZXMOKLQAFT-UHFFFAOYSA-N 508.438 3.815 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)COc1ccccc1Cl 100081580 CPWGTHDPXXQFNG-UHFFFAOYSA-N 565.671 3.653 50 10 KHGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 100158313 MSVNILAVSAUNJD-UHFFFAOYSA-N 544.427 3.621 50 10 KHGE O=C(CCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)NCc1ccccc1 100207363 KKDPPPRUHZTTGC-UHFFFAOYSA-N 583.508 3.803 50 10 KHGE Cc1ccc(OCC(=O)O)c(/C=N\NC(=O)c2cccc(F)c2NS(=O)(=O)c2ccc(Cl)s2)c1 675031773 MXABKKYVYDHCPM-VROXFSQNSA-N 525.967 3.877 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CCCN(CCBr)CC1 721572317 KZZUHDNAJAQFEM-UHFFFAOYSA-N 516.015 3.597 50 10 KHGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)o2)cc1 1084625349 AHQNBACTFQTEPB-UHFFFAOYSA-N 503.964 3.693 50 10 KHGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C(C)=C(C#N)C1=O 2314611093 QHEHSJZLUBRLFF-UHFFFAOYSA-N 529.622 3.792 50 10 KHGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 14651211 QQYHQAQJNJTRMN-UHFFFAOYSA-N 509.382 3.732 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14653109 NKIHHKXVJAFTEF-UHFFFAOYSA-N 507.381 3.891 50 10 KHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)cc3)cc2OCC)cc1 254340580 BDUQAHCYJUVSKY-UHFFFAOYSA-N 519.554 3.592 50 10 KHGE COc1ccccc1N(CC(=O)NN=Cc1ccc(N(C)C)c(Br)c1)S(=O)(=O)c1ccccc1 254769732 QUQVREYWDPVTJM-UHFFFAOYSA-N 545.459 3.869 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cccc(Br)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084352377 KWMYONQSXWOJMS-UHFFFAOYSA-N 562.442 3.821 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2CCO[C@]2(CBr)C1 2239905743 ZRMOOTVKLAXFPJ-YMTOWFKASA-N 514.983 3.680 50 10 KHGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 40890096 HMDBBXUOIQIPLI-CAPFRKAQSA-N 503.555 3.890 50 10 KHGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214304108 AIIKFBNGTHPUPY-BRPDVVIDSA-N 629.739 3.968 50 10 KHGE Cn1cnnc1SCc1ccc(C(=O)NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1 254484470 AZPQDCRVAXULSL-UHFFFAOYSA-N 519.656 3.831 50 10 KHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Br)cc(Br)c1O 1772719632 HFEKDIIBCZODKB-UHFFFAOYSA-N 527.213 3.976 50 10 KHGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3Br)cc2)cc(OC)c1OC 1772720551 QHVLWQYCFSDSRF-UHFFFAOYSA-N 570.396 3.574 50 10 KHGE C[C@@H](Br)CN1CCN(C(=O)c2ccc(Br)cc2I)CC1 2207271881 KYEILYAHVBVKOQ-SNVBAGLBSA-N 516.015 3.595 50 10 KHGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)COc1ccc2ccccc2c1 100088147 LNVITQOOMKPWHU-UHFFFAOYSA-N 522.808 3.735 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1I 100161601 AZKWUHBNNIKVQK-UHFFFAOYSA-N 591.427 3.707 50 10 KHGE CCOc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101341735 NKPGFYQPCQKWKK-BUVRLJJBSA-N 536.556 3.975 50 10 KHGE O=C(N/N=C/C=N/NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 150357605 ICRBLLPEWRODHD-SELJIPONSA-N 674.630 3.949 50 10 KHGE CCOc1cc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214438003 TZHXJBVDKGXMKC-HAHDFKILSA-N 536.556 3.975 50 10 KHGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(S(=O)(=O)O)c1 216952974 FWCYWDJNHSRECC-ATJXCDBQSA-N 502.596 3.686 50 10 KHGE COc1ccc(-c2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(-c4ccc(OC)c([N+](=O)[O-])c4)o3)o2)cc1[N+](=O)[O-] 254815804 GWTAZQLUWUGOSZ-UHFFFAOYSA-N 576.478 3.641 50 10 KHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2cc(I)ccc2Br)C1 388657600 AWAXMBCPIMCLMZ-VHSXEESVSA-N 502.972 3.678 50 10 KHGE CCOC(=O)COc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 1083930972 MPJHNIXUWAIKAR-LJQANCHMSA-N 554.381 3.596 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(O)c(I)c2)cc1 1084113858 MHMLYDDYJIQEFC-QGZVFWFLSA-N 594.187 3.964 50 10 KHGE CCCCCN1C(=O)C(=NNC(=O)CC(=O)NN=C2C(=O)N(CCCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720516 NQMHGDSSPDRXPM-UHFFFAOYSA-N 590.681 3.508 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(-c3cccnc3)[nH]n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867158107 KDRCMGXBOLQECN-XMMPIXPASA-N 526.578 3.950 50 10 KHGE BrC[C@@H]1C[C@H]2OCCN(c3ncc(I)cc3Br)[C@@H]2C1 2135046509 MYHIDGLFYCOIJB-XXILOJSOSA-N 501.988 3.827 50 10 KHGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1ccc(Br)cc1I 2207265756 VSKVKOPYIUULRX-KBPBESRZSA-N 514.983 3.870 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c(Br)c1 100132829 PHHCJTZENLIDQY-UHFFFAOYSA-N 550.475 3.505 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)N/N=C/c1cc(OC)ccc1O 105365433 HTMQCITUOUHGNW-UXHLAJHPSA-N 598.703 3.847 50 10 KHGE COc1ccccc1C=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 252627937 SELVIOPJBYLQRD-UHFFFAOYSA-N 502.390 3.803 50 10 KHGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)[C@H](O)C(=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]21C)C3(C)C 503956924 OWYICONKDDFJMF-AKQWFVEWSA-N 714.881 3.861 50 10 KHGE CC(=NNC(=O)CCCSc1nnc(-c2ccccc2Br)n1N)c1ccc2c(c1)OCO2 1084185587 QFCDQSFPCGZGRB-UHFFFAOYSA-N 517.409 3.563 50 10 KHGE COc1cc(C=NNC(=O)CNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720446 ONPVJQLSZZZZKJ-UHFFFAOYSA-N 600.422 3.583 50 10 KHGE CCCCCCCCCCCC(=O)O[C@H]1[C@H]([S@@](C)=O)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848434892 CIBVDGZXDAXGHD-BBMRZSAASA-N 623.297 3.877 50 10 KHGE C[C@@H](Br)[C@H]1CN(C(=O)c2cc(I)ccc2Br)CCO1 2117533360 PCMNARDEWNBFOI-PRHODGIISA-N 502.972 3.678 50 10 KHGE O=C(c1cc(I)ccc1Br)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146691062 FBYALOKYCCYNHI-TVYUQYBPSA-N 514.983 3.821 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1 2304596664 QDFUKILTFQUVLF-UHFFFAOYSA-N 513.682 3.738 50 10 KHGE COc1ccc(N2CCN(c3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3[N+](=O)[O-])CC2)cc1 101471504 JLLJTEYENBPQNW-UHFFFAOYSA-N 539.596 3.995 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc4ccccc4n3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920645 XFMJRLJCUHDBBO-XQEYLQQESA-N 573.690 3.663 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C=N[C@@H]4C(N5C(=O)c6ccccc6C5=O)=NC=N[C@H]43)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 1074680595 RSALMWXDDHSQLZ-PDHKOFKWSA-N 641.874 3.804 50 10 KHGE Cc1nc2ccc(Br)cn2c1C(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1 1084169235 XDZOWCWHACXVKN-UHFFFAOYSA-N 534.414 3.907 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC3)cc1 1772747633 NHCAIAWAQYCDKJ-UHFFFAOYSA-N 522.474 3.640 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2269561066 BQQHDYPBNLNDSY-RUZDIDTESA-N 506.795 3.912 50 10 KHGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 2295924225 DMBGGHGLYLMEAF-UHFFFAOYSA-N 501.546 3.936 50 10 KHGE N#CC(=Cc1ccc(OCC(=O)O)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2313557279 ZCROGHYJNJRFNV-UHFFFAOYSA-N 515.307 3.502 50 10 KHGE COC[C@@]1(CBr)C=CCN1C(=O)c1cc(I)ccc1Br 2379833182 QWSYCPNSGGLOQF-AWEZNQCLSA-N 514.983 3.846 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)c(Cl)c(C)c1 14655633 SJJGRHGJGCMOPU-UHFFFAOYSA-N 514.829 3.833 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1I 100076791 PIMSHRKBKOMULB-UHFFFAOYSA-N 524.167 3.556 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 100351862 GOJPSKXCDDSQPC-QCFMCPCVSA-N 614.724 3.774 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)NN=Cc1c[nH]c2ccccc12 252461410 LZZFOJKZSLTSDG-UHFFFAOYSA-N 528.656 3.860 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN=Cc1ccccc1I 254442536 LVVUWDQBMHPEOA-UHFFFAOYSA-N 601.488 3.675 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1Cl 1084158535 KJVBAVCXURKJRV-UHFFFAOYSA-N 579.462 3.936 50 10 KHGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 14651243 DRBZKUJOABXEHH-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(OC)c1OC 100869949 JXFZYIPMKKODDK-OCSSWDANSA-N 564.551 3.500 50 10 KHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NN=C4C(=O)N(Cc5ccccc5)c5ccccc54)c(=O)c23)C1 254804193 QBFYQDSVKFVYEK-KRWDZBQOSA-N 511.607 3.650 50 10 KHGE CO[C@H]1C[C@H](Br)CN(C(=O)c2ccc(I)c(Br)c2)C1 2109017935 MVQAJPUGRYKTDN-UWVGGRQHSA-N 502.972 3.678 50 10 KHGE O=C(CCCC(=O)NNC(=O)COc1ccccc1-c1ccccc1)NNC(=O)COc1ccccc1-c1ccccc1 100092648 KEUZGYBMNOGEPY-UHFFFAOYSA-N 580.641 3.944 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN=C/C=C\c1ccccc1 252637426 XSYDMRTUTYJYLS-LHZFBKPSSA-N 501.630 3.736 50 10 KHGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 254347545 FNYUWQUODQYKFA-UHFFFAOYSA-N 520.659 3.719 50 10 KHGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3OC)nnc2-c2cccnc2)cc1 254841490 OZDVFJXIESVMCF-UHFFFAOYSA-N 518.599 3.988 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(O)cc1 1084229894 CTXFDPDVNWIWCS-UHFFFAOYSA-N 516.417 3.538 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084428871 ZAGZKZKIVJDNLQ-HNNXBMFYSA-N 510.536 3.524 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751601 HBFMIKHHQOZIBB-UHFFFAOYSA-N 525.359 3.601 50 10 KHGE O=C(NCC12CC(CBr)(CO1)C2)c1cc(I)ccc1Br 2159589336 QUYHFVMOPKTOIM-UHFFFAOYSA-N 514.983 3.728 50 10 KHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1CCCCC1 2314475954 GGDWFKMUHMWLLG-UHFFFAOYSA-N 545.665 3.916 50 10 KHGE C[C@H](Br)COCc1cn(Cc2ccc(I)c(Br)c2)nn1 2377433474 ABNAKVKHHUFZGH-VIFPVBQESA-N 514.987 3.994 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14007389 UPALVZSXMSWSFH-JTQLQIEISA-N 506.578 3.859 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)c(C)c1 14654030 VYHSNWVLTSCLHB-UHFFFAOYSA-N 514.829 3.914 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 14654184 KVRYRANRCKVKEH-UHFFFAOYSA-N 515.227 3.950 50 10 KHGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1 35447473 DUFKYVWGYHTZKG-OQKWZONESA-N 501.612 3.923 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OC)c(OCn2cccn2)c1 103929115 YJGBIDHPQWLRMY-CGKHLXHRSA-N 546.657 3.949 50 10 KHGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 254405247 YQHDPODHVHATBE-PXKVOTDBSA-N 517.542 3.686 50 10 KHGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)c1 1084030072 DZPHPOHJPOTREC-WJOKGBTCSA-N 633.796 3.925 50 10 KHGE COc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)ccc1OCc1ccccc1 1084035751 ZIRQAHSJQHVJLK-UHFFFAOYSA-N 546.443 3.953 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OC)c([N+](=O)[O-])c2)cc1 1084390003 RYANDYQNSHCWPV-SFHVURJKSA-N 527.315 3.571 50 10 KHGE O=C(CCCOc1ccccc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858955905 XYGKRDKURBEILD-UHFFFAOYSA-N 513.528 3.548 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201763817 QIWOGUUYHWTNGK-LKFCYVNXSA-N 514.983 3.822 50 10 KHGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(I)c1O 2295482928 BZORZUJNLSNGDP-UHFFFAOYSA-N 585.354 3.655 50 10 KHGE CCOC(=O)[C@]1(C)C(=C(O)C(=O)Nc2ccccc2)C(=NNC(=O)c2ccccc2)C(=O)N1c1ccccc1 2297672438 LOLGKGCLCFOUDA-LJAQVGFWSA-N 526.549 3.592 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2364213186 ALNJSTSRBCUDSG-UDTPNQRGSA-N 501.418 3.511 50 10 KHGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2366240456 IMFVZZJOIQVJIZ-JXFKEZNVSA-N 517.442 3.860 50 10 KHGE Cc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1I 100102844 BQKYRWJAQVLDEY-UHFFFAOYSA-N 523.552 3.856 50 10 KHGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100113071 TZEXOJZTVJQNDY-UHFFFAOYSA-N 532.622 3.531 50 10 KHGE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H]1C[C@H](C(=O)OCCl)CN(C(=O)OCc2ccccc2)C1 675061083 XOZQFUPUGAVDQX-HLAWJBBLSA-N 510.031 3.694 50 10 KHGE CN(C)c1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084008939 NYZGLMIPBZEBOC-UHFFFAOYSA-N 543.487 3.899 50 10 KHGE Cc1cccc(COc2c(Br)cc(C=NNC(=O)CN3CCOCC3)cc2I)c1 1084064715 IABDGAWKXZOQHV-UHFFFAOYSA-N 572.241 3.723 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185308221 DBVAESTYPKPDIG-JIMOISOXSA-N 514.983 3.821 50 10 KHGE CN(C)C[C@@H]1C[C@H](Br)CN1Cc1ccc(I)c(Br)c1 2349862159 MSPRIFKGEVHADB-RYUDHWBXSA-N 502.032 3.953 50 10 KHGE CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OCC 58891667 VJYOSNHPRAUUGY-ILRHRSLTSA-N 507.381 3.754 50 10 KHGE CCOC(=O)COc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 100219143 VCOBYJDWOMUELU-QVISHHADSA-N 584.407 3.604 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCC(=O)OC)cc2Br)cc1 100238320 OFLMXQPGFAWYOZ-QVISHHADSA-N 537.407 3.762 50 10 KHGE COC(=O)c1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100277834 QSKCOBBSWVQZFC-UHFFFAOYSA-N 536.176 3.991 50 10 KHGE O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2)cc1 105448956 RCLWNOYTPVUEJN-YAGSLNJISA-N 600.569 3.864 50 10 KHGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)C1 254700773 MLWHHMBIBVZTSV-OAQYLSRUSA-N 544.077 3.772 50 10 KHGE C[C@@H]1Cc2c(Cl)cc(C(=O)N(C(=O)c3cc(Cl)c4c(c3)C(=O)O[C@H](C)C4)[C@@H](CSSC[C@@H](N)C(=O)O)C(=O)O)cc2C(=O)O1 585669659 FMIDXXSGPYEEDS-KPZGXPQMSA-N 685.560 3.725 50 10 KHGE COc1cc(C=NNC(=O)CCC(=O)NN=Cc2cc(Br)c(OC)c(OC)c2)cc(Br)c1OC 1772719794 WKKMMZUTCABRSZ-UHFFFAOYSA-N 600.264 3.627 50 10 KHGE N#CC1=CCN(C(=O)c2cc(I)cc(I)c2I)CC1 1917089438 XFSQWOCQNXPOPO-UHFFFAOYSA-N 589.940 3.796 50 10 KHGE CN1CCC[C@@H]([C@@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2089530238 FLBCZJGKGASMKS-RYUDHWBXSA-N 523.028 3.914 50 10 KHGE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NNC(=O)c2cc(OC)cc(OC)c2)cc1 2313682576 GIJXLPFPNRRHCR-UHFFFAOYSA-N 504.518 3.811 50 10 KHGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C(F)(F)F)c(B(O)O)c1 2370117709 RJDYKNFWEBUEQL-HSZRJFAPSA-N 512.293 3.641 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2379884971 WODWCRKWDYPLST-RUZDIDTESA-N 508.330 3.537 50 10 KHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 10276483 PXQICJPGAJBLLR-UHFFFAOYSA-N 512.632 3.570 50 10 KHGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1OC 38658847 NFMMPGDSKKGBHS-XMMPIXPASA-N 503.467 3.815 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(Br)cc3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920608 BBIBEWFLADSSMB-ODEMENHQSA-N 601.538 3.878 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 204468004 KHVLHRYSOPSVJR-UYZIEWPDSA-N 509.756 3.623 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(O)cc1O 252605144 GGODNBVYDAHWMX-CQSZACIVSA-N 578.436 3.723 50 10 KHGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)c(O)c1 1083944855 JGVWIGNCYBQNMH-UHFFFAOYSA-N 546.495 3.996 50 10 KHGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)=C(C#N)C1=O 2314610403 HTHBFWCASJUKER-UHFFFAOYSA-N 571.659 3.562 50 10 KHGE COC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084595525 XPIXJTSZCVFEED-KRWDZBQOSA-N 575.197 3.569 50 10 KHGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc(C(=O)OCCOC)c1C 1866215170 FYIQEVWBODESPK-NBVRZTHBSA-N 516.572 3.607 50 10 KHGE CC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867249464 AAMDCLWQNQEHCP-ROUUACIJSA-N 514.409 3.591 50 10 KHGE CN1CCC(CBr)(NC(=O)c2ccc(Br)cc2I)CC1 2381141188 VWSDOKVAXUWBQL-UHFFFAOYSA-N 516.015 3.643 50 10 KHGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)CCNC(=O)c3ccccc3Br)cc2OC)cc1OC 100869807 WZJQAJYLRVLELW-UHBFCERESA-N 584.423 3.964 50 10 KHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)Nc3ccc(Br)cc32)cc1OC 2297325604 XWUGTCPAWHCBOV-UHFFFAOYSA-N 549.381 3.710 50 10 KHGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(OC)c1 951131 FJJOXWDOJDAHGD-CBIIRDDDSA-N 510.502 3.588 50 10 KHGE COc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1Cn1nc(C)c(Br)c1C 2945960 DEFPAKJSUJFPOR-BRJLIKDPSA-N 501.381 3.857 50 10 KHGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1OC 40812994 ZQYDSFNXSRJQAC-ZTKZIYFRSA-N 520.542 3.956 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 101619168 AGGDGUYUKZFIJF-NLRVBDNBSA-N 563.405 3.583 50 10 KHGE CCOc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccc(Cl)cc1 1873794210 YHZQPKIHSDTMFQ-CCVNUDIWSA-N 506.946 3.884 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146696298 CRJIXSJOSSNHGJ-BIMULSAOSA-N 514.983 3.821 50 10 KHGE C[C@H](Br)CN(CCC(C)(C)C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2288046857 DAHZVUOPAOZRMN-YCRPNKLZSA-N 505.450 3.862 50 10 KHGE O=C(NN=C1C(=O)Nc2ccc(I)cc21)C(=Cc1ccccc1)NC(=O)c1ccccc1 2297451252 UPOOXNHBGOGQOK-UHFFFAOYSA-N 536.329 3.535 50 10 KHGE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2313683184 UBPIPFWFKSXAPD-UHFFFAOYSA-N 516.554 3.681 50 10 KHGE C=CCc1cccc(/C=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)c1O 58988399 JIHBJMSQVNZHRH-AFUMVMLFSA-N 515.437 3.878 50 10 KHGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(O)c(I)c2)c(Br)c1 97136577 OYRFQDMUDYHAEP-DNTJNYDQSA-N 503.134 3.905 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611568 VRMIFXXLZJLYIM-VUTHCHCSSA-N 559.406 3.970 50 10 KHGE COc1ccc(CCNC(=O)C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1OC 725413518 RAUIHZRUDQZDGI-UHFFFAOYSA-N 527.419 3.683 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 1084438776 SBQAHSJXLZMVCB-UHFFFAOYSA-N 606.745 3.907 50 10 KHGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 1084449433 LNTOQVPKJRFBFE-UHFFFAOYSA-N 530.400 3.566 50 10 KHGE C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4cc(Cl)cc(Br)c4O)c(=O)c23)C1 1860772824 IKKGCYLSZYAAIK-FYOLSIRGSA-N 509.813 3.855 50 10 KHGE CCn1nc(C)c(CBr)c1-n1c(C)nc(I)c1I 2255279031 UGOYZLPOBLXTTL-UHFFFAOYSA-N 534.965 3.810 50 10 KHGE CC1=C(C#N)C(=O)N(C)C(=O)C1=CNc1ccc(Oc2ccc(NC=C3C(=O)N(C)C(=O)C(C#N)=C3C)cc2)cc1 2296645856 NRTOTNMIFXBVPV-UHFFFAOYSA-N 548.559 3.748 50 10 KHGE O=C(NCC(F)(F)C(F)(F)CI)c1sccc1I 2314943849 RVCVDOQTMKOQJD-UHFFFAOYSA-N 507.028 3.788 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)c(Br)c2)cc1I 100198247 SXLCTHYROSFWBU-UHFFFAOYSA-N 533.160 3.924 50 10 KHGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c(=O)c1C#N 254876666 MXJGFHMOYQYGDG-UHFFFAOYSA-N 528.382 3.634 50 10 KHGE O=C(O)COc1ccc(F)cc1C=NNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1 1081159629 SVHIKSPSTLQBFF-UHFFFAOYSA-N 511.940 3.569 50 10 KHGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCC(=O)OC 1084356900 UJLOMSDGQPGVAX-UHFFFAOYSA-N 522.295 3.752 50 10 KHGE N#CC(=C(O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nnc(N2CCOCC2)n1-c1ccccc1 2053622930 VXNVGDRIGAWJLM-UHFFFAOYSA-N 501.547 3.952 50 10 KHGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2268666450 JINFOHDLHSRQCN-GKVSMKOHSA-N 506.433 3.511 50 10 KHGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 2313862259 POKPDTYCOXGLLP-UHFFFAOYSA-N 529.372 3.625 50 10 KHGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)ccc1Br 13978001 QBMNWTZWACJDGR-UHFFFAOYSA-N 506.578 3.779 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1 58893826 LYPMMARPGOFUAZ-SFQCIDFKSA-N 513.772 3.929 50 10 KHGE CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F 97977335 MOJQBNGTBRYNMF-VAARQSOTSA-N 839.961 3.781 50 10 KHGE in-vitro C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2)C[C@@H](C)O1 110558279 CTPXKAKBZPVSMY-ALBIGANXSA-N 575.691 3.539 50 10 KHGE O=C1C(Br)=C/C(=C\NNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)C(Br)=C1O 136204601 FNVCZTFKZFEWSQ-HPINHASASA-N 604.211 3.896 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(SC)cc2)cc1 254813047 OKBYQQVMQNMOBO-UHFFFAOYSA-N 527.624 3.882 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)c2ccccc2)cc1 1083998484 UDWCRWDRJKJEOM-UHFFFAOYSA-N 511.625 3.535 50 10 KHGE COc1ccc(N([C@H](C)C(=O)NN=C(C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)cc1 1084203275 ZCQFLINKXAPQJV-LJQANCHMSA-N 508.600 3.642 50 10 KHGE C=CCOc1c(I)cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)cc1OCC 1084471477 BNFNJBBWYBSDTD-UHFFFAOYSA-N 564.380 3.505 50 10 KHGE O=C(N[C@H](CC[S@](=O)C[C@@H]1C[C@@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877476392 PQTQHOGUSYSKEM-MQQYUFSESA-N 506.418 3.901 50 10 KHGE O=C(NCc1nnc(CBr)s1)c1cc(I)ccc1Br 1877557562 DVOLRVSVGZPBPP-UHFFFAOYSA-N 516.984 3.730 50 10 KHGE C[C@H](Br)C[C@H]1CCCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2164503037 SMAYKWSEJOXWJK-MRUHUIDDSA-N 503.434 3.759 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cscc1B(O)O 2269557809 HWMCUTHBDLJLGK-CRICUBBOSA-N 506.433 3.559 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)[C@@H]2C[C@@H]3[C@@H]1N(C(=O)OC(C)(C)C)C[C@@H]3C2 2378007190 FUBOIUYTERPTKI-LTUQMJGPSA-N 517.714 3.581 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)CCC1CCCCC1 14029297 VXMCVFUWGPXFLO-UHFFFAOYSA-N 521.275 3.973 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1Br 14776607 LPDBSLQUVOPGJO-UHFFFAOYSA-N 503.422 3.918 50 10 KHGE O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 59165459 DFSSHTUNTIYURT-DNTJNYDQSA-N 501.200 3.739 50 10 KHGE Cc1cc(Br)cc2c1N(C)C(=O)/C2=N\NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 97997065 SRJROUJDTJYHFJ-BSUIVEEASA-N 562.380 3.934 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccco1 100078476 PLGUADSVFVUWHM-UHFFFAOYSA-N 527.194 3.672 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100082350 PICDDIBMMNXCMQ-UHFFFAOYSA-N 610.122 3.762 50 10 KHGE COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1 198739435 RDHWYAPHSULJOA-CCVNUDIWSA-N 524.371 3.695 50 10 KHGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)c1ccc(NC(=O)c2cccnc2)cc1 254614933 HZNUHPBGQCBHBK-UHFFFAOYSA-N 533.654 3.892 50 10 KHGE O=S(=O)(C[C@H](Br)c1cc(Br)ccc1I)N1CCCC1 2089388241 AVQODGVARMSERZ-NSHDSACASA-N 523.028 3.915 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2281789001 JEBZQBZJOWPSAS-UHFFFAOYSA-N 500.467 3.761 50 10 KHGE CCOc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1Cl 2328793507 RNQAWPCWTCHEEF-UHFFFAOYSA-N 506.946 3.884 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@@H]21 2350360665 ISVOPJJRQGERHQ-PONJGIIJSA-N 505.703 3.725 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 14662990 QFGYXCOYACVRQD-UHFFFAOYSA-N 508.438 3.721 50 10 KHGE COc1cc(OC)c([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 27113028 XXJUEPVUAWEVSW-ATIYNZHBSA-N 525.565 3.775 50 10 KHGE CCCCCCCCCCCC(=O)O[C@H]1[C@H]([S@](C)=O)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@@H](O)[C@H]1O 504386155 CIBVDGZXDAXGHD-YSCHFGJXSA-N 623.297 3.877 50 10 KHGE CN(C[C@]1(Br)CC1(F)F)S(=O)(=O)c1cc(CBr)oc1Br 2202537877 SBIOHJQHBFHYRF-SECBINFHSA-N 501.969 3.730 50 10 KHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c1 14016387 BKZNDEOUIIXHCV-UHFFFAOYSA-N 513.660 3.865 50 10 KHGE COc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c(OC)c1 40619646 SINIZZBDLUIBNN-UHFFFAOYSA-N 509.306 3.975 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1 100237493 MHMLYDDYJIQEFC-ZTBJCTOSSA-N 594.187 3.964 50 10 KHGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NC[C@H]1CCCO1 102688070 HRCRNFLLZYIRMD-UQTDQPHJSA-N 531.638 3.526 50 10 KHGE CCOc1cccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=NNC(=O)c3ccco3)oc12 254749424 RPAKWYMIYIETBZ-UHFFFAOYSA-N 505.527 3.660 50 10 KHGE COC(=O)COc1cccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 1083899278 RGANYIXCJWNTGJ-UHFFFAOYSA-N 530.002 3.622 50 10 KHGE O=C(NCc1ccco1)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 1084278525 CFWXHFGWNSISPP-UHFFFAOYSA-N 555.012 3.684 50 10 KHGE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C=NNC(=O)CCCO)c3ccccc32)c(C)c1 1084443172 MFZODGBSOGQXHA-IXWSDTCWSA-N 507.590 3.729 50 10 KHGE Cc1cc(I)ccc1NC(=O)CCC(=O)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1084553933 DRYUIAQCLDAWLU-UHFFFAOYSA-N 575.157 3.845 50 10 KHGE COC(=O)COc1cccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 1084651777 KORHEDLNDKMSIZ-UHFFFAOYSA-N 530.002 3.546 50 10 KHGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2cc(Br)ccc2I)C1 2121338880 WCRYVJQTHJCOGY-UYKLKCEZSA-N 520.927 3.922 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cc(B(O)O)cs1 2269550788 STTSVJJZENVWMS-XDHUDOTRSA-N 506.433 3.559 50 10 KHGE COc1cc(/C=N/NC(=O)CSCC(=O)Nc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 59156967 RAFIXBCNLLGHBF-MZJWZYIUSA-N 507.568 3.794 50 10 KHGE C#CCOc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100452984 YZOZJTJCLQNADH-VLZFXTDASA-N 588.183 3.872 50 10 KHGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101341261 QZVAFVOMYMMWFS-BUVRLJJBSA-N 525.521 3.993 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 104999701 GYCTUIQQVMAFJN-WKGAAENLSA-N 551.386 3.924 50 10 KHGE CCOc1cc(C=NNC(=O)CNc2ccccc2OC)c(Br)c(Br)c1O 252619887 LTPUDBYJVGLCAP-UHFFFAOYSA-N 501.175 3.887 50 10 KHGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 1083993972 OCHLYLVCAVYPFK-UHFFFAOYSA-N 560.470 3.850 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)c2cccc(C)c2)cc1 1084198660 UFDXKYBLPRNXPC-UHFFFAOYSA-N 536.654 3.552 50 10 KHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772743790 IRTBDWTYPPOUNM-UHFFFAOYSA-N 539.386 3.904 50 10 KHGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746575 DOXMYNKRSZZBRG-UHFFFAOYSA-N 504.499 3.934 50 10 KHGE C=C[C@@]1(CBr)COCCN1C(=O)c1ccc(Br)cc1I 2207264457 FUBMRWLCYXAJAV-CQSZACIVSA-N 514.983 3.846 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(Br)c1 2313862169 NMUJHEHRMAQYGP-UHFFFAOYSA-N 535.420 3.769 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314619883 GQJWSTHFLGOJGC-UHFFFAOYSA-N 585.573 3.628 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)CC2(CC2)C1 2350351989 GRPHBTPLVISDMZ-QFIPXVFZSA-N 505.703 3.727 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1I 100078794 VHNXDVNHLZZCAY-VIFPVBQESA-N 568.220 3.710 50 10 KHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1 100103104 BMHAUQFCAQSFJB-UHFFFAOYSA-N 580.686 3.727 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCC(=O)OCCc1ccccc1 100125808 JSPFVQOYVDAZSJ-UHFFFAOYSA-N 542.224 3.612 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 101341478 URFBCNLYWCTGNP-PCLIKHOPSA-N 570.602 3.728 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2cccc(Cl)c2)c1[N+](=O)[O-] 101493212 WYFYGAHCAGGDLQ-UHFFFAOYSA-N 526.724 3.624 50 10 KHGE COc1ccc(C=NNC(=O)COc2c(Br)cc(Br)cc2OC)c(OC)c1 254752391 LTFNSIIXRNRKBX-UHFFFAOYSA-N 502.159 3.767 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)Cc2ccccc2)cc1 725274055 CUKIPELHZBEQME-UHFFFAOYSA-N 560.426 3.528 50 10 KHGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)OC 1084504016 DSQNUSKOAHUUGN-CPNJWEJPSA-N 528.403 3.655 50 10 KHGE CCCCCN1C(=O)C(=NNC(=O)CCC(=O)NN=C2C(=O)N(CCCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720745 UKTZAIOJEWIGPL-UHFFFAOYSA-N 604.708 3.898 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751712 WXUZBTQBEXVZES-UHFFFAOYSA-N 526.509 3.590 50 10 KHGE CC(C)CC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 13982724 GCEBUXGHAAICQN-UHFFFAOYSA-N 517.243 3.812 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 40869940 DDMQBUFRZDTPHH-DJKKODMXSA-N 502.439 3.954 50 10 KHGE N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1083984691 ZBRDDCPBXGDCAE-MHWRWJLKSA-N 549.219 3.931 50 10 KHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)CC1 1772744217 SMPMBSABQPGLDG-UHFFFAOYSA-N 516.392 3.846 50 10 KHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772747464 MAIQWDAHQIGUPY-UHFFFAOYSA-N 506.475 3.561 50 10 KHGE CC[C@H](NC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866845226 XNORPCGJLJAXSI-AEFFLSMTSA-N 529.669 3.691 50 10 KHGE CN1CC[C@H]([C@@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2029060514 NECGEEBMONMPDM-MNOVXSKESA-N 509.001 3.524 50 10 KHGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2ccc(I)c(Br)c2)C1 2121365787 ABGIYZLQMRRIJR-UYKLKCEZSA-N 520.927 3.922 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239905742 ZRMOOTVKLAXFPJ-XPTSAGLGSA-N 514.983 3.680 50 10 KHGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)cc1 2295927337 BHEZAUGFMCLNTB-UHFFFAOYSA-N 504.431 3.810 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)COc1c(C)cc(Br)cc1Br 100081503 RWDZLJMYQJGIMP-UHFFFAOYSA-N 579.698 3.962 50 10 KHGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 100314048 FSSBFFDUGMPHEW-GOSISDBHSA-N 561.502 3.558 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607182 YWWNTQZTUKHYOC-ZXVVBBHZSA-N 568.384 3.733 50 10 KHGE Cc1ccc(S(=O)(=O)/C=C(\CCl)N2CCN(/C(CCl)=N\S(=O)(=O)c3ccc(C)cc3)CC2)cc1 101783740 TYGIELWYAPFTML-WKTQOLDKSA-N 544.526 3.801 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)NN=Cc1ccc(CC)c(OC)c1 1084262644 FMRKJSMLHNDZBJ-UHFFFAOYSA-N 547.699 3.950 50 10 KHGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 1872961059 IEBFJTSGLIHGQT-HUUCEWRRSA-N 543.468 3.854 50 10 KHGE CCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCOC)c(Br)c1 100202562 NQHUPFXMTCWSEQ-UHFFFAOYSA-N 530.213 3.639 50 10 KHGE CC1=C(Br)C(=O)[C@](C)(Br)[C@@H](Br)/C1=N/S(=O)(=O)c1ccccc1 102478625 OPWIFPBMJSZQCX-NVNMUSKQSA-N 514.033 3.985 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(I)c2)cc1 150430211 SZVGULUDIJHQHR-DAFNMPDCSA-N 652.223 3.722 50 10 KHGE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H]1C[C@@H](C(=O)OCCl)CN(C(=O)OCc2ccccc2)C1 675061085 XOZQFUPUGAVDQX-NRSPTQNISA-N 510.031 3.694 50 10 KHGE O=C(NCCCCI)c1ccc(Br)cc1I 1995285802 KUESBBUXBXTCQC-UHFFFAOYSA-N 507.935 3.999 50 10 KHGE CN1CC[C@H]([C@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2029060513 NECGEEBMONMPDM-GHMZBOCLSA-N 509.001 3.524 50 10 KHGE Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C=CC(=O)OCC(=O)NNC(=O)c1cccs1 2042441460 DZDVSSVKTYQKTO-UHFFFAOYSA-N 507.399 3.934 50 10 KHGE CCN(C[C@@](C)(CI)O[C@H]1C[C@H](C)S(=O)(=O)[C@H](C)C1)C(=O)OC(C)(C)C 2352656802 MGNNKRYHCPCIPF-BASYENTBSA-N 503.443 3.808 50 10 KHGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1I 12501565 GNZFHMRETBLKQT-UHFFFAOYSA-N 515.376 3.759 50 10 KHGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40659549 APFQBCYXSSDHAN-UHFFFAOYSA-N 506.306 3.916 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)/C=C/c1cccs1 100089012 RXAHDMRCGYHCCM-SNAWJCMRSA-N 533.267 3.696 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c(OC)c1 1084115693 TWOXWRBLFIJCQY-UHFFFAOYSA-N 505.955 3.842 50 10 KHGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 1084466767 TXHQLAMEXQDXJW-UHFFFAOYSA-N 521.412 3.912 50 10 KHGE Cc1cc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1084543560 APSUMEGWSQHUPG-GDLZYMKVSA-N 640.187 3.962 50 10 KHGE C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)O)SC1=NNC(=O)Cc1ccccc1 1772718887 UTSJOUOAUWVEPN-YJFMCDHMSA-N 530.400 3.645 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(F)cc3F)cc2)cc1 1858679020 ZKNZVJGPBRKQND-UHFFFAOYSA-N 502.524 3.978 50 10 KHGE O=C(N[C@H](C[S@](=O)CC1CC(Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893205532 VYLPSXAFSPGXBB-WKGKASRFSA-N 506.418 3.901 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)CCc3c[nH]c4ccccc34)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642513 KRPFBYNIKWZMKJ-FSRAWYDKSA-N 589.733 3.915 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NN=C[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 2297642632 YEVINKRLYXDIIZ-AZKGUJRQSA-N 601.140 3.842 50 10 KHGE C#CCOc1c(I)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 2313568198 SYIZJLICFOMQJB-UHFFFAOYSA-N 541.389 3.958 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 14030859 RHAMHVWWSBXLHF-UHFFFAOYSA-N 514.401 3.986 50 10 KHGE CCOc1cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc(OCC)c1OCC 40884525 YWMRIFRMTIGUSU-DEDYPNTBSA-N 512.559 3.780 50 10 KHGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254481660 FSKIXPNVGSLXPT-UHFFFAOYSA-N 571.611 3.862 50 10 KHGE COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)ccc1O 725383343 OHDBVGVGWPZIOR-UHFFFAOYSA-N 532.416 3.505 50 10 KHGE COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 1084071574 NNRHVLNVCQOWRA-UHFFFAOYSA-N 532.018 3.707 50 10 KHGE O=C(NN=Cc1cc(Br)cc(I)c1O)c1ccc(I)c(O)c1 1084443967 PPMVYDLLQVOPRX-UHFFFAOYSA-N 586.949 3.833 50 10 KHGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686909 DUQKEUQFORQJNS-MHZLTWQESA-N 547.631 3.961 50 10 KHGE C[C@@H](Br)COCc1cn(-c2ccc(I)c(Br)c2)nn1 2278379942 HGPZOWMFBRFEGT-MRVPVSSYSA-N 500.960 3.934 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2283963697 MGVPWSJAKCCMTB-DFXHWTJYSA-N 520.460 3.901 50 10 KHGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 2314475724 BBZRGCDQSJNBAE-SFTDATJTSA-N 531.638 3.546 50 10 KHGE CN1CCC(CBr)(NC(=O)c2cc(I)ccc2Br)CC1 2380728793 PRLWRJRZQPKDJG-UHFFFAOYSA-N 516.015 3.643 50 10 KHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 100080455 FQBRAVXCBCPBTR-NSHDSACASA-N 535.247 3.933 50 10 KHGE O=S(=O)(Nc1ccc(Br)c(I)c1)N1CCC(Br)CC1 2105892768 GPGAUMDBWQIPMO-UHFFFAOYSA-N 524.016 3.570 50 10 KHGE C[C@]1(CBr)COCCN1C(=O)c1ccc(I)c(Br)c1 2112707596 GVMKNZFPQFNWCI-ZDUSSCGKSA-N 502.972 3.680 50 10 KHGE O=C(COc1ccc(I)cc1)NN=Cc1cc(Br)c(Br)o1 2297708350 YSLXDPPEHCFKBB-UHFFFAOYSA-N 527.938 3.938 50 10 KHGE COCCCNC(=O)Cn1cc(C=C(C#N)C(=O)NCc2cccs2)c2cc(Br)ccc21 2313624325 POGYSBKJNILQJF-UHFFFAOYSA-N 515.433 3.841 50 10 KHGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1I 12576974 GNTDOPAHVVBBIC-SECBINFHSA-N 509.127 3.835 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644344 HEEFRCLYPSAUNQ-ZDUSSCGKSA-N 512.788 3.835 50 10 KHGE C[C@H](Oc1c(F)cccc1/C=N\NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccs1)C(=O)O 675029537 AQNLWCWDWHCYBD-RQSOKRQSSA-N 525.967 3.957 50 10 KHGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1c(Br)cc(Br)c(O)c1Br 725430962 KSAPBNPFYMQNEA-UHFFFAOYSA-N 614.052 3.812 50 10 KHGE CN(C)CCCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866608022 BEZRCNUEGUSLNE-AREMUKBSSA-N 573.650 3.926 50 10 KHGE O=C(N[C@@H](CCS(=O)(=O)C[C@H]1C[C@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1991493977 RNSYCHFSMBBQBW-WCJKSRRJSA-N 536.444 3.957 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H](CBr)OCC12CC2 2183964928 CLFSXPNYGAKVJJ-SNVBAGLBSA-N 514.983 3.822 50 10 KHGE C=CCC1=C/C(=C/NNC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)C=C(OC)C1=O 13122142 JQALFZJFXOVKJT-CYVLTUHYSA-N 510.616 3.774 50 10 KHGE CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150411444 CXYDDYNNVDWKJB-OHYDGAEDSA-N 667.769 3.706 50 10 KHGE CC1=C(C#N)C(=O)N(CCCOCCOc2ccccc2)C(=O)/C1=N/Nc1ccc(Cl)cc1[N+](=O)[O-] 199872890 JGDFKCQNONGRDD-XAYXJRQQSA-N 511.922 3.711 50 10 KHGE CC(=NNC(=O)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)NN=C(C)c3ccncc3)cc2)cc1)c1ccncc1 254710101 HRDOEMHGWCTKMW-ROJLCIKYSA-N 594.628 3.941 50 10 KHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084214669 GYCTUIQQVMAFJN-OAHLLOKOSA-N 551.386 3.924 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743653 IAIWYKTXQCYDGE-UHFFFAOYSA-N 509.360 3.896 50 10 KHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751320 NOWIKQXGBJJHSE-UHFFFAOYSA-N 511.538 3.690 50 10 KHGE Brc1cc(CO[C@@H]2COC[C@H]2I)ccc1I 1904373704 JXSYRSYFUQCCPT-GHMZBOCLSA-N 508.919 3.773 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100062051 UPAGXZLDBVXRSK-UHFFFAOYSA-N 571.247 3.712 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100082340 OTZHQHDAYMMARI-UHFFFAOYSA-N 562.273 3.884 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC#N)c(OC)c2)cc1 100237553 DGXMOOIIPUUQIE-ILRHRSLTSA-N 537.354 3.565 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)c1 102688153 RYQWHLILJVTUGR-MOHJPFBDSA-N 557.680 3.880 50 10 KHGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OC)[C@@H]1OCc1ccccc1 206614661 ZXDTXTMEFLROMN-RULDIGERSA-N 536.741 3.896 50 10 KHGE CCCOc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207231524 HMINHJQTIZWXIJ-IMBKBSONSA-N 501.539 3.762 50 10 KHGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)[C@H](O)C(=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]21C)C3(C)C 503956925 OWYICONKDDFJMF-FGUZPEDISA-N 714.881 3.861 50 10 KHGE CCOc1ccccc1N(CC(=O)NN=Cc1cccc(OC2CSC2)c1)S(=O)(=O)c1ccccc1 1084228134 BBJKMMAEJKZGTK-UHFFFAOYSA-N 525.652 3.925 50 10 KHGE CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 1084543522 LGGIFLTYZGDXJX-XSFVSMFZSA-N 589.430 3.888 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 1865687116 JQSRHODTRGLAEP-AREMUKBSSA-N 536.032 3.831 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2283967671 ACIPMDQBTXECPV-SGANQWHYSA-N 508.330 3.537 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C12CCCC2 2349641615 IESWVBUKWCMYBZ-QFIPXVFZSA-N 505.703 3.869 50 10 KHGE COc1ccccc1C(=O)NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1N 40729936 HCVBWBDJSADYCI-UHFFFAOYSA-N 509.614 3.736 50 10 KHGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(I)cc1 101067408 OIRKBBMFJFOOOO-UHFFFAOYSA-N 525.148 3.926 50 10 KHGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 252634666 WQHWAVRERMFDNN-LEHOZSGYSA-N 553.325 3.713 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(=O)O)n2-c2ccccc2)cc1OC 254393991 USHGLRKSFNWWOM-UHFFFAOYSA-N 517.567 3.892 50 10 KHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 254568198 YXCMNLOQABOPNY-LMXTWDENSA-N 515.566 3.983 50 10 KHGE CC(=NNC(=O)c1cccnc1)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(C)=NNC(=O)c3cccnc3)cc2)cc1 1565504481 LZNDWEDTUUSYAC-ROJLCIKYSA-N 594.628 3.941 50 10 KHGE O=C(/C=C/c1cccc(F)c1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859007475 QVQKWQZDWRXUJO-AWNIVKPZSA-N 513.503 3.583 50 10 KHGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687128 JYVQQFDLSHSZFC-HHHXNRCGSA-N 545.640 3.771 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2ccc(N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)c2ccccc2)cc1 1866907856 AVEJQIPGDRAILE-IXCJQBJRSA-N 589.743 3.679 50 10 KHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 13983516 MFYCLSZIENATQH-ZDUSSCGKSA-N 511.385 3.519 50 10 KHGE COc1ccc(CNNC(=O)CCCCCCCCC(=O)NNCc2ccc(OC)c(OC)c2)cc1OC 34982371 NJILYOJSDXOGNT-UHFFFAOYSA-N 530.666 3.784 50 10 KHGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814556 VZTVWCLAEYLNNQ-TURZUDJPSA-N 504.499 3.554 50 10 KHGE CC(/C=C/c1ccccc1)=N\NC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 58991431 ZEWULEPVGRGHKO-USFVFONBSA-N 510.536 3.553 50 10 KHGE COC(=O)[C@H]1O[C@H](Br)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 108474070 KXTNIKNREDJJSO-DFWAIWNTSA-N 583.387 3.956 50 10 KHGE CCN(CC)CN1C(=O)C(=NNC(=O)c2ccccc2Br)c2cc(Br)ccc21 254440190 DJAJYWTXSWRKOP-UHFFFAOYSA-N 508.214 3.992 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744178 ARGWMKZCIQDLJZ-UHFFFAOYSA-N 509.906 3.695 50 10 KHGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1914640316 YERBFBMCVXTWIL-QGZVFWFLSA-N 507.450 3.924 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2COC[C@@]2(CBr)C1 2234559259 NZPJTCXNYNNFDC-IINYFYTJSA-N 514.983 3.537 50 10 KHGE Cc1nc(I)c(I)n1-c1nccc(N(C)C)c1CCl 2349953546 VSZKLAKSINWIHY-UHFFFAOYSA-N 502.525 3.590 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1I 14652574 STVDXKPGDYJPQA-UHFFFAOYSA-N 503.134 3.917 50 10 KHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1Br 14660446 BTNHSANQIWDXJO-UHFFFAOYSA-N 500.802 3.604 50 10 KHGE O=C(CSc1nc2ccccc2s1)NN/C=C1\C(=O)N(c2ccc3c(c2)OCO3)C(=O)c2ccccc21 103004201 GJUYFOQBRCMLKL-PDGQHHTCSA-N 530.587 3.966 50 10 KHGE O=C(CCCCCCCC(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 105620309 DSSZKDPCRVJYEC-UHFFFAOYSA-N 548.469 3.637 50 10 KHGE O=C(Cc1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858956087 HWELODYHKFSBBG-UHFFFAOYSA-N 503.920 3.584 50 10 KHGE O=C(NCC[C@H]1COC[C@@H]1Br)c1cc(I)ccc1Br 2111278761 CFFDKVORYWKZAD-UFBFGSQYSA-N 502.972 3.584 50 10 KHGE C=CC[C@@]1(CBr)CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2287847063 SJXCYJOBQSPGFN-SFTDATJTSA-N 501.418 3.536 50 10 KHGE COC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)sc(C(C)=CC#N)c1C 2331560230 IQWHIYPMZUOQMJ-GOSISDBHSA-N 511.600 3.817 50 10 KHGE CN(C)C[C@H]1C[C@@H](Br)CN1Cc1ccc(I)c(Br)c1 2349862162 MSPRIFKGEVHADB-VXGBXAGGSA-N 502.032 3.953 50 10 KHGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccccc1OCc1ccccc1 48572480 ILGQKPJGGZRIQD-VULFUBBASA-N 513.335 3.750 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 100082593 KUFVNHBSJGWJMH-UHFFFAOYSA-N 582.230 3.988 50 10 KHGE COCCCNC(=O)Cn1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c2cc(Br)ccc21 104882432 VDGCWHYKJHPVNI-ZDLGFXPLSA-N 553.413 3.509 50 10 KHGE CCOc1ccc(N/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c([N+](=O)[O-])c1 209900830 GCGTWRMAOFJDOE-HKWRFOASSA-N 506.515 3.758 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2285009103 OIEXEIOSSXXETN-HSZRJFAPSA-N 508.330 3.537 50 10 KHGE N#CC(=Cc1cc(I)cc(I)c1O)C(=O)Nc1ccc(O)cc1 2297624361 GIYNGRTXUOIDIC-UHFFFAOYSA-N 532.075 3.853 50 10 KHGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 38683420 QDGYNYJYCBCTOB-DEOSSOPVSA-N 516.506 3.936 50 10 KHGE CCCCN1C(=O)/C(=N\NC(=O)CCCCC(=O)N/N=C2/C(=O)N(CCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 100870192 PHXDCXBKDNZLPS-CRHVBUSDSA-N 604.708 3.898 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 101606041 CZDUMVNMDJEEOO-LQKURTRISA-N 530.368 3.600 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cccc(Br)c3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920610 GDAPGKILSITURB-ODEMENHQSA-N 601.538 3.878 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CCCN(CCBr)CC1 232487657 PDOZSGXLSKFURZ-UHFFFAOYSA-N 516.015 3.597 50 10 KHGE Cn1cnnc1Sc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 254392933 LCLPJTRPKVGWGQ-UHFFFAOYSA-N 543.612 3.501 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746205 SJVPNGFJKNZJOJ-UHFFFAOYSA-N 500.342 3.835 50 10 KHGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 1872961060 IEBFJTSGLIHGQT-LSDHHAIUSA-N 543.468 3.854 50 10 KHGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c(C)c1N=[N+]=[N-] 1887521501 UUGAAWWHHOJDHA-UHFFFAOYSA-N 511.391 3.992 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C1CCCCC1 12571940 SPOOOQWHAJDNIQ-UHFFFAOYSA-N 507.248 3.501 50 10 KHGE O=C(CCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1)NNC(=O)C(c1ccccc1)c1ccccc1 100044202 SLQGRFHXCRECAP-UHFFFAOYSA-N 534.616 3.726 50 10 KHGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 214298022 CWRXYYBUHGHOSG-RRAHZORUSA-N 615.712 3.579 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=Cc3c(OC)cc(OC)cc3OC)nc3ccccc3c2=O)cc1 254479966 PKNGCRFJMRGFTK-UHFFFAOYSA-N 534.594 3.663 50 10 KHGE O=C(NCCN1CCC(Br)CC1)c1cc(I)ccc1Br 321271683 BUNRFWVLPSOZBA-UHFFFAOYSA-N 516.015 3.643 50 10 KHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2cc(Br)ccc2I)C1 388931346 LUZSLSWBOKNEIP-UWVGGRQHSA-N 502.972 3.678 50 10 KHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720572 RIGAVGAECNAMEH-UHFFFAOYSA-N 578.578 3.890 50 10 KHGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1cc(I)ccc1Br 2195496961 PYOWYVFWOKYNJX-GXSJLCMTSA-N 516.999 3.974 50 10 KHGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCOC)c2)CC1 2314476313 MOPZOOAQUSDJLY-UHFFFAOYSA-N 605.717 3.563 50 10 KHGE O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 102995214 FICARTHTLPZYFT-UVTDQMKNSA-N 527.558 3.752 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cccc(Br)c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858955357 STCJFNJYGBPQLF-UHFFFAOYSA-N 534.344 3.765 50 10 KHGE CC[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866629180 HBGTUDAXSSFOOY-LJQANCHMSA-N 507.037 3.990 50 10 KHGE C[C@@H](Br)[C@@H]1CN(C(=O)c2cc(I)ccc2Br)CCO1 2117533359 PCMNARDEWNBFOI-PELKAZGASA-N 502.972 3.678 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178080903 ANLXKUURZBHOMU-WLTAIBSBSA-N 514.983 3.536 50 10 KHGE CCc1cc(B(O)O)ccc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)CC 2283960593 ZKBGFQZDUCLPFH-MYUZEXMDSA-N 500.404 3.821 50 10 KHGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 2313567102 GHSLLRXMORJDJU-UHFFFAOYSA-N 528.403 3.655 50 10 KHGE C[C@@H]1C[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 2333224451 YPDNOVWUTMHAKI-AGQVYWRLSA-N 537.436 3.840 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100215511 PRXSOWXJXYKJTI-UHFFFAOYSA-N 565.671 3.978 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(O)c(OCC)c2)cc1 725424752 NMWFFSKLOAQVER-GOSISDBHSA-N 512.344 3.758 50 10 KHGE Cc1oc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1Br 1083891136 HZKRFJIYVJTGDL-UHFFFAOYSA-N 521.349 3.604 50 10 KHGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1ccc(I)c(Br)c1 2195507442 VYQYLFUPFXFCLV-ONGXEEELSA-N 516.999 3.974 50 10 KHGE CCOC(=O)COc1ccccc1C=NNC(=O)C(=Cc1cc(OC)ccc1OC)NC(=O)c1ccccc1 2296977096 DQSMYSBYVKMNBR-UHFFFAOYSA-N 531.565 3.567 50 10 KHGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(OC)cc2OC)c1 2297325733 KRULLSXIPQUNNK-UHFFFAOYSA-N 519.554 3.651 50 10 KHGE Cc1nc(I)c(I)n1-c1nccc(N(C)C)c1CBr 2349961538 UXJZJEVMLIOQOU-UHFFFAOYSA-N 546.976 3.746 50 10 KHGE COc1ccccc1/C=C\C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 33561890 ACQVSBNMLTYFSF-XFXZXTDPSA-N 520.449 3.869 50 10 KHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1 100087217 CNWMVPHEARKWMB-UHFFFAOYSA-N 527.828 3.556 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cccc(I)c1 100449542 ZFVBRIHNRBRFMZ-UHFFFAOYSA-N 568.003 3.965 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599620 TWTORGTZSUJLPD-NLRVBDNBSA-N 554.357 3.804 50 10 KHGE C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866635335 MVWUUJRNUFSHMC-DNVCBOLYSA-N 544.058 3.893 50 10 KHGE COc1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1I 2295482981 MIRMMAGFJGKEKA-UHFFFAOYSA-N 569.355 3.950 50 10 KHGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 2314476243 LIHPGBDKBLDUNG-WOJBJXKFSA-N 503.628 3.859 50 10 KHGE O=C(CCCCCCCC(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 100065117 CBWQWNVVVVKJEW-UHFFFAOYSA-N 583.385 3.763 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(I)c2)cc1 150430181 GZYCOXOHTLOVMS-QZUPYORJSA-N 666.250 3.810 50 10 KHGE O=C(CSc1nc2ccccc2o1)NN=C1C(=O)N(CN2CCCCC2)c2ccc(Br)cc21 254350725 OJSRATURSYUKFL-UHFFFAOYSA-N 528.432 3.993 50 10 KHGE CCC(=NNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 1084314756 FAGHCSVJDBYTLX-UHFFFAOYSA-N 526.571 3.738 50 10 KHGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865687504 SPAAFBKCWLIBPJ-DEOSSOPVSA-N 501.587 3.508 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)Cc2ccc3nc(O)c(Cc4ccccc4)cc3c2)cc1 1867087572 HMPHTJMADGQQJR-RUZDIDTESA-N 512.591 3.763 50 10 KHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 2297453560 JSOOMQQXZUDIEV-UHFFFAOYSA-N 504.499 3.542 50 10 KHGE O=C(CNC(=O)c1cccc(F)c1)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2297510243 SKISOJWZTJARFS-UHFFFAOYSA-N 514.307 3.680 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)CC2(CC2)C1 2350351986 GRPHBTPLVISDMZ-JOCHJYFZSA-N 505.703 3.727 50 10 KHGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14020789 OGPWNEOJDZNFFV-UHFFFAOYSA-N 508.438 3.860 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1Br 100162696 IJMQOICPZYJXIR-UHFFFAOYSA-N 544.427 3.865 50 10 KHGE O=C(NCC1(CBr)CCOCC1)c1cc(Br)ccc1I 700911970 XAMNDEWZWBAETC-UHFFFAOYSA-N 516.999 3.975 50 10 KHGE C#CCOc1c(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 1083997813 DGORAIFLBRSPAE-XMHGGMMESA-N 527.362 3.568 50 10 KHGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-] 1084049842 VHRFYICAFNZFFG-UHFFFAOYSA-N 517.361 3.703 50 10 KHGE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1OC 1866802489 FIFNBKMYWSLBQR-VWLOTQADSA-N 539.635 3.937 50 10 KHGE ClCc1ccc(Br)c(-n2cnc(I)c2I)n1 1983535552 IYGVQKMPWZIVQA-UHFFFAOYSA-N 524.325 3.978 50 10 KHGE COc1ccc(OCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2Cl)c(I)c1 2297708410 DQFVFKZEEHSAKP-UHFFFAOYSA-N 524.746 3.976 50 10 KHGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(Br)cc1 14643221 NWLLHRXCFFQKMK-ZDUSSCGKSA-N 500.187 3.822 50 10 KHGE O=C(N/N=C\c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])C1(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 97973013 XRTLBASCIRWPGY-LKCHOXKRSA-N 750.724 3.809 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1ccccc1Cl 100080691 DUYSLJMFUIVSMV-UHFFFAOYSA-N 521.618 3.580 50 10 KHGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 254508525 QGMRZBLQHMUFQY-UHFFFAOYSA-N 509.486 3.629 50 10 KHGE CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@H]3CC(C=O)=C4C=C(OCCCl)CC[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]12C 263606146 QNXUUBBKHBYRFW-OODYQZFZSA-N 569.066 3.963 50 10 KHGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)CCC(CCl)CCl)CCN(Cc2ccccc2)CC1 2130844105 BYXORFBKLARZKN-UHFFFAOYSA-N 522.539 3.949 50 10 KHGE Brc1cc(I)cnc1N1C[C@H](Br)C[C@@]2(CCCO2)C1 2133381178 DJVFOJOLGNQXJE-RNCFNFMXSA-N 501.988 3.972 50 10 KHGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1cc(Br)ccc1I 2206483782 GHJUEKWKVZKYIT-NWDGAFQWSA-N 514.983 3.869 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2355685901 HRKKMEMZNAIMQE-OPQQBVKSSA-N 514.983 3.536 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2370253830 KGHXCQHKUCHYTN-HOTGVXAUSA-N 511.360 3.573 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643194 LAXCMMQMYAVHLL-MRXNPFEDSA-N 506.397 3.798 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl 100081538 IJPSDNBRURMEBF-UHFFFAOYSA-N 606.724 3.993 50 10 KHGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCc1ccccc1 110556599 PBMZPZQAEVFADB-XIEYBQDHSA-N 553.644 3.784 50 10 KHGE COc1ccc(NS(=O)(=O)c2ccc(C=CC(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 2042446220 AQROOAWJIYLMKT-UHFFFAOYSA-N 509.628 3.873 50 10 KHGE C[C@H]1CN(C(=O)c2ccc(Br)cc2I)C[C@@H](CBr)O1 2142286139 XXWSGTCMGPKEKX-WCBMZHEXSA-N 502.972 3.678 50 10 KHGE COc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc(OC)c1OC 2313683118 SDHCFDNRYAXIKJ-UHFFFAOYSA-N 531.525 3.580 50 10 KHGE COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc(OC)c1OC 13977083 JTYUZQQABZSTIE-UHFFFAOYSA-N 524.437 3.722 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/C(C)C 59261419 AXNLNDDORNCTMV-DACUGSJHSA-N 512.421 3.919 50 10 KHGE Cc1ccc(S(=O)(=O)N(C)N(C(=O)c2cccc3ccccc23)C2=NS(=O)(=O)c3ccccc32)cc1 59503245 YHSQWNLDHMCVJK-UHFFFAOYSA-N 519.604 3.975 50 10 KHGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084027184 SMQYYHLTPUABDM-UHFFFAOYSA-N 578.234 3.968 50 10 KHGE O=C(N[C@H](CC[S@](=O)C[C@H]1C[C@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893201049 PQTQHOGUSYSKEM-CGPVVCFKSA-N 506.418 3.901 50 10 KHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(F)CCC(CBr)CC1 2178582473 HXFMRTWRZYDEFJ-UHFFFAOYSA-N 503.434 3.522 50 10 KHGE COCCN(C[C@@H](C)Br)C(=O)c1cc(Br)ccc1I 2272435529 DLRGMDKGQFZMTH-SECBINFHSA-N 504.988 3.926 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)ccc1Br 100081849 WUFMIKWAYYZMPX-UHFFFAOYSA-N 521.220 3.544 50 10 KHGE N#C/C(=C/Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc(Br)cc2)cs1 102924303 TYTGRXUCLLIDHC-RAXLEYEMSA-N 503.407 3.721 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 150411872 FGGPGPGTRNUVOD-UHFFFAOYSA-N 640.148 3.714 50 10 KHGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084483892 TXOZMMCFHIORDE-UHFFFAOYSA-N 529.546 3.634 50 10 KHGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c(C)c1I 1887520665 YVFTZCDJAVENCZ-UHFFFAOYSA-N 527.167 3.627 50 10 KHGE CC1(C)OC[C@H](NC(=O)c2cc(I)ccc2Br)[C@H]1Br 1911024550 DJIMGKPLYFPTLD-WDEREUQCSA-N 502.972 3.724 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CCO[C@@H](CCBr)C1 2116237764 HRIXWRVXTBFPLD-JTQLQIEISA-N 502.972 3.680 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2350351023 AOHYVXDUFSWBNZ-ZHRRBRCNSA-N 507.719 3.973 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 2378013838 HLMGVZZVYUVNAP-LNCJBJJNSA-N 519.730 3.973 50 10 KHGE COC(=O)c1cc(OC)c(OC)cc1N/C=C1/C(=O)N(CCc2c[nH]c3ccccc23)C(=O)C(C#N)=C1C 102675982 GYZVAIYAQTUKSP-RCCKNPSSSA-N 514.538 3.719 50 10 KHGE O=C(Cc1cccc2ccccc12)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084624786 UHLHWIQGOOTTKC-UHFFFAOYSA-N 502.530 3.546 50 10 KHGE O=C(NC[C@]1(CBr)CCCO1)c1cc(I)ccc1Br 1879604476 JJJPXYWENMSLKO-CYBMUJFWSA-N 502.972 3.728 50 10 KHGE Cc1nc(I)c(I)n1-c1ccc(CBr)cn1 1936399876 PTXLYULSEGJXIY-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2cccc(Br)c2)cc1 2329698816 PTUYQMWDBJLWLC-UHFFFAOYSA-N 505.394 3.783 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)cc1 14037286 FHYCRWYPQXFSKL-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc(OC)c1OC 20827079 CRYWXWFUBHQKEU-MZJWZYIUSA-N 504.572 3.598 50 10 KHGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(O)c(I)c2)cc1 1084452847 ARJYVFRDNRJWRA-UHFFFAOYSA-N 536.107 3.764 50 10 KHGE Cc1ccc(C(=O)CCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858959880 WFGRLXVSRUCXER-UHFFFAOYSA-N 525.539 3.660 50 10 KHGE C[C@H](Br)CN1CCCN(c2ncc(I)cc2Br)CC1 2133379097 SBCBISDQLDCSFH-JTQLQIEISA-N 503.020 3.744 50 10 KHGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1OC 2313617107 DUBOEPOFGRXFHJ-UHFFFAOYSA-N 518.595 3.613 50 10 KHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-] 40659229 NLECFCUATGZQLV-UHFFFAOYSA-N 506.248 3.624 50 10 KHGE O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cc(Br)c(O)c(I)c1 58886929 YDAQYTCMTYEGGZ-VYXQJKENSA-N 503.134 3.723 50 10 KHGE O=C(COc1ccccc1)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082618 DASWCVQQNWXNES-UHFFFAOYSA-N 567.259 3.845 50 10 KHGE Cc1ccc(C(=O)NNC(=O)C2CCC(C(=O)NNC(=O)c3ccc(C)c(Br)c3)CC2)cc1Br 100103712 HVBAGUXILSYWGG-UHFFFAOYSA-N 594.304 3.857 50 10 KHGE Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3I)cc2)cc1 198738627 UMYJAVQHFXQSGV-MZJWZYIUSA-N 541.345 3.699 50 10 KHGE O=C(CCl)c1c(I)ccc(I)c1I 575715318 WIVBTXACWCJVKF-UHFFFAOYSA-N 532.284 3.922 50 10 KHGE O=C(NN=Cc1cc(Br)cc([N+](=O)[O-])c1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293391479 BTWFRHDXVVGZAB-UHFFFAOYSA-N 553.325 3.713 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772751449 RFQKYOMPJCTGEK-UHFFFAOYSA-N 511.538 3.690 50 10 KHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 2297100749 BVRXZCBEEALVCH-UHFFFAOYSA-N 519.554 3.651 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)c(Br)c1 13978587 HEVFBUAOTORHBF-UHFFFAOYSA-N 516.417 3.644 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1Br 14647805 UPPCEAPMQXLFLN-UHFFFAOYSA-N 514.829 3.914 50 10 KHGE CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCCO)(c5ccccc54)[C@@H]3C2=O)cc1 59382410 WQLZVODARQYNNY-SVTQWHLGSA-N 523.589 3.511 50 10 KHGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1cccc(I)c1 100449601 KKSMBFNUWYXDGM-UHFFFAOYSA-N 509.525 3.547 50 10 KHGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1083973801 HLXYAMAQAYVNCA-UHFFFAOYSA-N 518.529 3.625 50 10 KHGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285028480 YZMUXDNSTXUOHY-HHHXNRCGSA-N 500.404 3.875 50 10 KHGE COc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100088346 IZWAGULIKMHNMG-UHFFFAOYSA-N 597.285 3.853 50 10 KHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1cc(I)ccc1Br 384744073 RFNVWFQADNXOAZ-LLVKDONJSA-N 516.015 3.643 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084610931 MWZVLSQHIWBAIN-UHFFFAOYSA-N 530.002 3.856 50 10 KHGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865708777 FVHMOTMAGIIWCT-SANMLTNESA-N 516.602 3.830 50 10 KHGE CSCC[C@@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867228350 SIZOBJOLTZNLNL-OAQYLSRUSA-N 538.692 3.675 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2207260207 FBYBNAZYYDGMRF-OASPWFOLSA-N 514.983 3.821 50 10 KHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1C 10154352 GDZQPLXGRSOQDM-HNNXBMFYSA-N 508.438 3.956 50 10 KHGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC3)cc1 40814920 SMBPRNYNVNPHCB-NLRVBDNBSA-N 506.475 3.940 50 10 KHGE CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F 97977334 MOJQBNGTBRYNMF-VXSOKJMFSA-N 839.961 3.781 50 10 KHGE in-vitro COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1I 100098929 FMDPJZDMTOKIQZ-UHFFFAOYSA-N 574.400 3.501 50 10 KHGE Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1c(Br)cc(Br)c(O)c1Br 150377191 KSAPBNPFYMQNEA-TXNBCWFRSA-N 614.052 3.812 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2ccc3c(c2)OCCO3)C(=O)Nc2ccc(SC#N)cc2)cc1 1866607514 VLUSVUKKQKYMNW-DEOSSOPVSA-N 531.590 3.865 50 10 KHGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccncc5)c(C)c43)coc2c1 101620425 WNHVVKRWJBUEFH-TWKHWXDSSA-N 513.554 3.820 50 10 KHGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 101695889 RSZWBYSHLKYQII-NBVRZTHBSA-N 535.509 3.835 50 10 KHGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 102848848 UUXGJQDUHKEVNV-JZJYNLBNSA-N 548.559 3.839 50 10 KHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1ccc(I)c(Br)c1 721510816 PRCJHKAGLNVRDU-WPRPVWTQSA-N 502.972 3.678 50 10 KHGE COC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 1084267290 XSPKVMIIHHCCML-KRWDZBQOSA-N 528.197 3.727 50 10 KHGE CCOC(=O)COc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 1084525114 VCOBYJDWOMUELU-HXUWFJFHSA-N 584.407 3.604 50 10 KHGE COc1cc(C=NNC(=O)CCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720155 GWNUWBXFAIOUQO-UHFFFAOYSA-N 569.998 3.864 50 10 KHGE CCCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1866802310 CKTNKDIFVQVXIB-FQEVSTJZSA-N 519.645 3.754 50 10 KHGE COC[C@](C)(CBr)CNC(=O)c1cc(I)ccc1Br 1926999252 INOKQJZEZFCRDJ-CYBMUJFWSA-N 504.988 3.831 50 10 KHGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCCOCCOCCOCc1ccccc1 2211319682 KAVWSLIQKFMMHY-JOCHJYFZSA-N 537.435 3.971 50 10 KHGE O=C(NN=Cc1cc(O)ccc1Br)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295116817 KJWINVNYIAAUIR-UHFFFAOYSA-N 508.328 3.805 50 10 KHGE CCOC(=O)[C@@H]1C[C@@H](I)[C@H](OCc2cccc(I)c2)C1 2367353085 QMGFFNOPQQAOQL-MRVWCRGKSA-N 500.114 3.953 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 14647821 LHAFPXDDLJRRQI-UHFFFAOYSA-N 519.421 3.536 50 10 KHGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)c1 14667331 UMWGCWCIVJJBNH-UHFFFAOYSA-N 508.438 3.815 50 10 KHGE O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 40571088 IWUJAWFQNYVRRZ-PXFLCDOESA-N 515.589 3.633 50 10 KHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1OC 100060119 HYNUVODBBGAFCV-UXBLZVDNSA-N 536.448 3.704 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065517 IAIWYKTXQCYDGE-NLRVBDNBSA-N 509.360 3.896 50 10 KHGE O=C(NN=Cc1ccccc1[N+](=O)[O-])C1[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@@H]1c1ccccc1 252625141 QEENFRZTOCFHLY-BINWOUKTSA-N 512.566 3.717 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 254288513 SJGRNONRZPGYBU-UHFFFAOYSA-N 536.610 3.564 50 10 KHGE CCOc1ccc(C=NNC(=O)c2ccc(OC)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254861680 DGVGWIXNVJHFKL-GGAORHGYSA-N 500.599 3.639 50 10 KHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(CC)CC 1084592690 SRDCWYBKIIOUGN-UHFFFAOYSA-N 583.726 3.840 50 10 KHGE O=C(N[C@@H](C[S@@](=O)C[C@H]1C[C@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877465696 VYLPSXAFSPGXBB-FNGMIQBHSA-N 506.418 3.901 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2CCO[C@]2(CBr)C1 2239886041 MQUAKJDATGXYJT-IINYFYTJSA-N 514.983 3.680 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C=Cc1cccc([N+](=O)[O-])c1 2313854811 LFNCSFKLEHZPFF-UHFFFAOYSA-N 513.142 3.668 50 10 KHGE CCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)c(Br)c1 2314795929 FSYCQUJTMMVVNN-UHFFFAOYSA-N 529.387 3.770 50 10 KHGE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349654469 JTQZDLGPZAEHDR-DMPWYTOCSA-N 507.719 3.971 50 10 KHGE CCCC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 12503570 UNFYCKLQGLMUTN-UHFFFAOYSA-N 503.216 3.566 50 10 KHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 100103080 GMYXOQPPPMAWRY-UHFFFAOYSA-N 538.411 3.678 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 1083911761 IBBNLEINAJJGKI-UHFFFAOYSA-N 569.636 3.631 50 10 KHGE O=C(CSc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1)NNC(=O)C(F)(F)F 1084113252 FXAAZQGLXKYJJR-UHFFFAOYSA-N 511.489 3.950 50 10 KHGE CC(C)NC(=O)COc1ccc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 1084528765 DGJQNXIPKYVFPN-UHFFFAOYSA-N 587.496 3.698 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@]1(F)CC[C@H](CBr)CC1 2178585285 JFELDGCRQHNARL-OQIWPSSASA-N 503.434 3.666 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@H](CBr)OCC12CC2 2183974949 STNDVMBKVOVTCR-JTQLQIEISA-N 514.983 3.822 50 10 KHGE COc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314620603 SIFHAVNZFGBYAU-UHFFFAOYSA-N 522.529 3.585 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cc([N+](=O)[O-])cc(OC)c1O 252631194 VJLYCOYOGLEFPP-UHFFFAOYSA-N 623.433 3.546 50 10 KHGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCCCCC(=O)NN=C1C(=O)N(C)c3ccc(C)cc31)C(=O)N2C 1772720276 KSKNJVWMTCGEIE-UHFFFAOYSA-N 544.656 3.718 50 10 KHGE NC(=O)[C@@H](Br)Cc1cc(Br)c(I)c(Br)c1 1931651939 XTMKCPVYGJYOSA-ZETCQYMHSA-N 511.777 3.608 50 10 KHGE C[C@@H](CCCCCI)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2054146702 CSHKIYLOODXDMH-HNNXBMFYSA-N 520.433 3.612 50 10 KHGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2N)cc1 101545171 JDNSKDRCILRAEN-UHFFFAOYSA-N 524.434 3.897 50 10 KHGE COc1cc(C(=O)NN=Cc2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)cc(OC)c1OC 1083911723 OZAKWRRVQMPIFJ-UHFFFAOYSA-N 533.585 3.707 50 10 KHGE CC[C@](C)(NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867228481 WEQBPJJXHZBGQS-QHCPKHFHSA-N 506.625 3.722 50 10 KHGE O=C(N[C@H](C[S@](=O)C[C@H]1C[C@@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877479462 VYLPSXAFSPGXBB-BODKZJLJSA-N 506.418 3.901 50 10 KHGE C[P@@]1(=O)C[C@H](NC(=O)c2ccc(I)c(Br)c2)[C@@H](Br)C1 2121365784 ABGIYZLQMRRIJR-KKRWKGTOSA-N 520.927 3.922 50 10 KHGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814601 DOXMYNKRSZZBRG-VFCFBJKWSA-N 504.499 3.934 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 40814922 ZWLCTEQFNFXTSL-YZSQISJMSA-N 510.438 3.771 50 10 KHGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 101332856 IVVVQNCRERBIQZ-LFVJCYFKSA-N 529.622 3.792 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101341495 GQJWSTHFLGOJGC-BUVRLJJBSA-N 585.573 3.628 50 10 KHGE COc1cc(/C=N\NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]3OC4(CCCCC4)O[C@@H]23)cc(I)c1O 230040833 PGKNQBWYPMQJNS-GOICJZKYSA-N 628.460 3.701 50 10 KHGE O=C(NC1(CBr)CCOCC1)c1ccc(I)c(Br)c1 721505847 BUNHYUIZMSFIRS-UHFFFAOYSA-N 502.972 3.728 50 10 KHGE Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1S(=O)(=O)N(C)C 1866638223 LZZNEAPYBPIRBR-QHCPKHFHSA-N 508.625 3.928 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(C)c(C)c1B(O)O 2283968513 DXIRZTUPJUDHMG-YHAMSUFESA-N 520.460 3.614 50 10 KHGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325071432 PXXSPNVZCPAZOA-GOSISDBHSA-N 533.050 3.765 50 10 KHGE CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(OCCN2CCOCC2)c(OCC)c1 34953309 KPUWHBVVKNQOBO-VWLOTQADSA-N 519.598 3.578 50 10 KHGE Cc1cc(C(=O)NNC(=O)/C=C\c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)n1-c1ccccc1 97987794 MITYTIDBMSIFJC-QINSGFPZSA-N 518.595 3.640 50 10 KHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 101494130 AKWQLDXOZNJVHD-UHFFFAOYSA-N 512.792 3.790 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 252622332 NSVHHPSYAQTQET-UHFFFAOYSA-N 538.582 3.822 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cc1 1083954559 SQJNPKPTDVTNNJ-UHFFFAOYSA-N 500.584 3.908 50 10 KHGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(C)cc2)cc1 1084177789 AETFRXRVJGDWRD-UHFFFAOYSA-N 583.692 3.807 50 10 KHGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084527840 HMCGSUIFXKJQLI-UHFFFAOYSA-N 591.986 3.828 50 10 KHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745106 RCKVFBKSUNJNGB-UHFFFAOYSA-N 501.543 3.929 50 10 KHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C1CCCCC1 2164491737 IYTNDPMCVZTMHG-WIYYLYMNSA-N 503.434 3.664 50 10 KHGE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349642216 JGNYGRBRDYHNMF-OPAMFIHVSA-N 507.719 3.971 50 10 KHGE COC[C@]1(CBr)C=CCN1C(=O)c1cc(Br)ccc1I 2379851928 PEVQAIKWRFSBAH-CQSZACIVSA-N 514.983 3.846 50 10 KHGE COC(=O)[C@@H]1O[C@@H](Br)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 72130541 KXTNIKNREDJJSO-OEYYQIPYSA-N 583.387 3.956 50 10 KHGE in-vitro O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)ccc1OCCc1ccccc1 100314108 QHPVESPYZMDOFU-NRFANRHFSA-N 595.519 3.755 50 10 KHGE O=C(CSc1nnc(N/N=C/c2cc(Br)cc(Br)c2O)[nH]1)NNC(=O)c1ccc(Cl)cc1 104461426 PWWOZWCXRFPHFX-QPJQQBGISA-N 603.684 3.688 50 10 KHGE N#CC1=C(N)n2c(sc(=Cc3ccccc3C(F)(F)F)c2=O)=C(C#N)[C@H]1c1cccc(C(F)(F)F)c1 254342135 SJECQSSKSPFUTE-IBGZPJMESA-N 518.442 3.899 50 10 KHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NN=C4C(=O)N(Cc5ccc(F)cc5)c5ccccc54)c(=O)c23)C1 254771431 MZRQJXZPYLBROQ-INIZCTEOSA-N 529.597 3.789 50 10 KHGE COc1ccccc1C=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1084416537 GAMVPOYLLHRYEZ-UHFFFAOYSA-N 516.417 3.799 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2285032696 WZOJRXJCFIMCLS-QYBDOPJKSA-N 520.460 3.901 50 10 KHGE COc1cc(C=CC(=O)NN)cc(I)c1OCc1ccc(Br)cc1 2293940852 IPSGTOCSFACCLX-UHFFFAOYSA-N 503.134 3.644 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OC)c3O)n2-c2ccccc2)cc1OC 13582000 GNNMEAYGPWXLBX-UHFFFAOYSA-N 519.583 3.908 50 10 KHGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2ccc(OCCN3CCOCC3)c(OC)c2)s1 35278525 INUGLYMQNCEVDY-RGEXLXHISA-N 513.616 3.752 50 10 KHGE CC(CC(=O)Nc1ccccc1Cl)=NNC(=O)[C@H]1C[C@@H]1C(=O)NN=C(C)CC(=O)Nc1ccccc1Cl 1084067695 ACQYPPYMXILRRC-IRXDYDNUSA-N 545.427 3.971 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3F)cc2)cc1 1859000708 UHADVMGYPFYBCF-UHFFFAOYSA-N 512.588 3.811 50 10 KHGE COC[C@](C)(CBr)N(C)C(=O)c1ccc(Br)cc1I 2142288888 NLKXKCXZJKZLGT-ZDUSSCGKSA-N 504.988 3.926 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2269559273 STTSVJJZENVWMS-MZNJEOGPSA-N 506.433 3.559 50 10 KHGE N#CC(=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)N1CCOCC1 2296732194 GWMMFJQPBJRFHA-UHFFFAOYSA-N 505.578 3.667 50 10 KHGE Cc1ccc(C=CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1 2330162143 YXIQCWFODVUYCI-UHFFFAOYSA-N 513.503 3.849 50 10 KHGE C[C@H](NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)C(C)(C)CCl)CC2)C1=O)c1ccccc1 16612928 VFPRLDAKDHLBPR-NRFANRHFSA-N 511.066 3.796 50 10 KHGE O=C(CSc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1)NNC(=O)c1ccc(F)cc1 20923200 ZBGKJWKHJFOLTI-VULFUBBASA-N 505.535 3.735 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 100076518 HTKSAMHDNSZTGY-UHFFFAOYSA-N 582.230 3.988 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccccc3Cl)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530939 JJHDYZGLZGFCAG-NAFUUBHJSA-N 557.087 3.769 50 10 KHGE biogenic C#CCOc1ccc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 1084120405 NRMMDPGHIMXYKX-FQEVSTJZSA-N 506.340 3.666 50 10 KHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1ccc(I)c(Br)c1 2097938278 MCNVECXOSXQLSI-NXEZZACHSA-N 502.972 3.726 50 10 KHGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1cc(Br)ccc1I 2279409708 PKMZYIYDJFUCFN-ONGXEEELSA-N 516.999 3.974 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1(C)C 2345320698 TTXNVNMBNNOOAP-JOCHJYFZSA-N 507.719 3.973 50 10 KHGE C[C@@H](CBr)N1CCN(Cc2ccc(I)c(Br)c2)CC1 2349823254 AEIYUTIKAQOUJX-NSHDSACASA-N 502.032 3.955 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1 14643373 GSTYYTSSOSICOA-INIZCTEOSA-N 507.381 3.626 50 10 KHGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 100126225 ZIDXIODQAQHOGG-UHFFFAOYSA-N 526.442 3.740 50 10 KHGE O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 101090426 HIAYCQSMFOUHKJ-UDWIEESQSA-N 534.326 3.601 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)N/N=C/[C@]12CC[C@@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 253531004 YEVINKRLYXDIIZ-LSGXPSIKSA-N 601.140 3.842 50 10 KHGE biogenic CCOc1ccc(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)cc1 1084217001 FBFQPKVWPWFVMA-UHFFFAOYSA-N 525.652 3.925 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)c(OC)c1 1084218947 INUJAXUYXXREMK-UHFFFAOYSA-N 606.495 3.970 50 10 KHGE CC(/C=C\c1ccccc1)=NNC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 1084422524 ZEWULEPVGRGHKO-OLQBDGKQSA-N 510.536 3.553 50 10 KHGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)cc2)cc1 1084529181 HUPWLVCDIAMOFY-UHFFFAOYSA-N 576.631 3.647 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749566 MYVDVVDMHJGTPQ-UHFFFAOYSA-N 519.341 3.798 50 10 KHGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 2313621115 KDDUPZDEPLGHDE-UHFFFAOYSA-N 547.656 3.979 50 10 KHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@H](C)Oc1cccc(Br)c1 2314795809 STSILMNDGLBMJV-INIZCTEOSA-N 515.360 3.596 50 10 KHGE Cn1cc(Br)c(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)n1 20428342 QLDMQDXHGFPMQS-LSHDLFTRSA-N 506.154 3.928 50 10 KHGE C[C@H]1[C@H](OC(=O)CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 215667361 UZEOVNLCUPRZCB-JMGXQVBLSA-N 586.682 3.591 50 10 KHGE biogenic COc1cc(C=NNC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCC(N)=O 1084114600 JCBBBQCEYRQYNP-UHFFFAOYSA-N 512.360 3.665 50 10 KHGE N#C/C(=C/c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 1084358849 GWHFCBAHROZFQQ-ZDLGFXPLSA-N 535.398 3.978 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 1084621817 MVBDOKCSNBQSDB-UHFFFAOYSA-N 524.577 3.526 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CCO[C@@H](CCBr)C1 2142288046 IENFKDSRCALQEJ-JTQLQIEISA-N 502.972 3.680 50 10 KHGE N#CC(=CNc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2cccc(Br)c2)cs1 2296038194 LKVCVTVLZHJPMP-UHFFFAOYSA-N 504.391 3.906 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642596 UNUCCJSFGMVRKV-WGOVGHMOSA-N 602.084 3.677 50 10 KHGE O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 100040459 JPVAKVGFWQCYIG-UHFFFAOYSA-N 562.582 3.673 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100047945 YJQXJCFGYXKRRO-TXEJJXNPSA-N 580.252 3.610 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 100079409 UDFIYBGPPAWNSG-UHFFFAOYSA-N 579.698 3.962 50 10 KHGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(OC)cc2OC)c1 254738172 KRULLSXIPQUNNK-ZFRSVJDISA-N 519.554 3.651 50 10 KHGE COc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)s2)cc1 263627135 PZFMLXUCONVESS-UHFFFAOYSA-N 565.633 3.568 50 10 KHGE O=C(NN=Cc1cc(O)c(O)c(Br)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082990295 FGIGVOFZCJFSFI-WTMHETSLSA-N 525.315 3.690 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859005833 PJXRJJXHUCJNAF-UHFFFAOYSA-N 521.910 3.837 50 10 KHGE COC1CC(CBr)(NC(=O)c2ccc(Br)cc2I)C1 2142283319 OJJMPXVZQKIVDP-UHFFFAOYSA-N 502.972 3.726 50 10 KHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2ccc(CCCl)cc2)C1 2205540304 GIVKPJFVOZVPIY-QFIPXVFZSA-N 508.084 3.868 50 10 KHGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296540841 ZMEKKMMAUGUOFY-QHCPKHFHSA-N 504.612 3.784 50 10 KHGE COCC(=O)N1CCN(C(=O)C(C#N)=C2SC=C(c3cccc(OC)c3)N2c2ccc(C)cc2)CC1 2297486422 HIWRTPTUBJYCKT-UHFFFAOYSA-N 504.612 3.608 50 10 KHGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217240547 MNBXVRRUWALRGV-ZCXUNETKSA-N 547.033 3.776 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)CCc3c[nH]c4ccccc34)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530957 KRPFBYNIKWZMKJ-RDVCZYAPSA-N 589.733 3.915 50 10 KHGE biogenic COC(=O)[C@H](Br)COc1c(I)cc(Cl)cc1I 393844851 ZSQGXUMFOPJXHL-ZCFIWIBFSA-N 545.336 3.865 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(Br)ccc2OC)cc1 725416260 TXZNPYIJGLZJSY-UHFFFAOYSA-N 560.470 3.850 50 10 KHGE O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCNC(=O)CCSSCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21 888087394 ZJVGOGQIAYMKAS-OLFVYQLRSA-N 869.145 3.609 50 10 KHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772746438 CCTKGCZHODFGSM-UHFFFAOYSA-N 522.474 3.640 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2c(F)cccc2Cl)cc1)Oc1ccc([N+](=O)[O-])cc1 1858956742 PGLNAEVSFKNIFE-UHFFFAOYSA-N 507.883 3.795 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](c2cccnc2)N(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1867278755 LLVUAEWMZMXLQC-RPBOFIJWSA-N 517.611 3.549 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 100306454 SWNQNZTXKPLPST-MRXNPFEDSA-N 528.197 3.609 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 254836865 PVKCDEVOGIZMLL-UHFFFAOYSA-N 503.540 3.935 50 10 KHGE COc1cc(C(=O)NN=Cc2ccc(Sc3nc(=N)ss3)c([N+](=O)[O-])c2)cc(OC)c1OC 1084011303 MLYHJATWXANRFQ-UHFFFAOYSA-N 507.575 3.533 50 10 KHGE NC(=O)COc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 1084636119 XLAXGHFAJDTCSB-UHFFFAOYSA-N 539.248 3.740 50 10 KHGE CS(=O)(=O)SCCNC(=O)[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]21)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 1085210270 ACUCNTBNWRWVMU-ZGHMXWQUSA-N 831.096 3.514 50 10 KHGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O 1873795393 GVQFASCMIVHLIJ-TWCVRMSCSA-N 509.195 3.622 50 10 KHGE CCc1ccc([C@H](C)NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2325103499 JKDJYTCGWGHZPO-KRWDZBQOSA-N 503.024 3.620 50 10 KHGE CC(C)[C@@H](CI)NS(=O)(=O)c1cc(Br)ccc1Br 232722383 FXWDULHJRZIBIT-SNVBAGLBSA-N 511.017 3.950 50 10 KHGE C[C@@H](Oc1c(F)cccc1C=NNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccs1)C(=O)O 1081159492 AQNLWCWDWHCYBD-GFCCVEGCSA-N 525.967 3.957 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084030011 IUISJHYMEYCFEE-UHFFFAOYSA-N 546.989 3.919 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2cccc(Cl)c2Cl)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084077618 FEUAERBOBLWPGI-UHFFFAOYSA-N 539.361 3.805 50 10 KHGE COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 1084231281 NUMFVKBVJSCDBU-GZTJUZNOSA-N 610.246 3.861 50 10 KHGE COc1ccc(OC)c(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 1084324404 IRKSBHCBBFQDDJ-UHFFFAOYSA-N 505.955 3.842 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(C)cc1B(O)O 2283968767 GNDZLPMLKMSVOD-QLXKLKPCSA-N 520.460 3.648 50 10 KHGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Br 2297551841 QAFZMQQRUVHZQM-UHFFFAOYSA-N 541.221 3.969 50 10 KHGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccco1 2297710461 XXCGMHIPCMGXBV-UHFFFAOYSA-N 514.332 3.540 50 10 KHGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 2314646847 RCAYTISJCRIUOD-MHZLTWQESA-N 667.769 3.706 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@H](NC(=O)OC(C)(C)C)C12CCC2 2345251302 ODDOGUOQGFDJIF-OYHNWAKOSA-N 505.703 3.773 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNS(=O)(=O)c1ccccc1 100063568 NKGSHMKHYQPVMR-UHFFFAOYSA-N 514.195 3.753 50 10 KHGE NNC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 100562350 NTUIUTBKQRWXKR-AOYPEHQESA-N 580.483 3.858 50 10 KHGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253624544 UZEOVNLCUPRZCB-MGYLDFGBSA-N 586.682 3.591 50 10 KHGE COc1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1083957385 HQCVTHRVFIEHEX-UHFFFAOYSA-N 502.936 3.602 50 10 KHGE O=C(N[C@@H](CCS(=O)(=O)C[C@H]1C[C@@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1991497644 RNSYCHFSMBBQBW-DMPWYTOCSA-N 536.444 3.957 50 10 KHGE O=C(N[C@@H](CCS(=O)(=O)CC1CC(Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1991497645 RNSYCHFSMBBQBW-LGHDPPOTSA-N 536.444 3.957 50 10 KHGE COc1ccc(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1 2297708532 RMSZKQCLUZTBTO-UHFFFAOYSA-N 500.861 3.835 50 10 KHGE O=C(NCCCCCCNC(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8385889 PQOOWDYEVTUVRY-UHFFFAOYSA-N 536.410 3.757 50 10 KHGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14030904 RPGSURGSHDMRAY-UHFFFAOYSA-N 519.623 3.857 50 10 KHGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-] 40659241 AIVQKPVXLUWVHD-UHFFFAOYSA-N 500.475 3.712 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)[C@@H](C)Cl)CC2)C2CC2)cc1 103146117 AWWSBZDNSHQTSQ-HXUWFJFHSA-N 550.096 3.934 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N2CCCC2)c1 254509178 QQRGLNDKNUYFEE-UHFFFAOYSA-N 508.648 3.575 50 10 KHGE Cn1c(=O)c2ccc3c4ccc5c(=O)n(CCBr)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 575419683 LRKWENCZGZFWHA-UHFFFAOYSA-N 511.331 3.895 50 10 KHGE O=C1[C@@H](Br)CCCN1c1cc(I)cc(I)c1 690418839 FNAGDZWYBKFZBM-JTQLQIEISA-N 505.919 3.786 50 10 KHGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 1083919437 QRGVODPFZPHZNE-UHFFFAOYSA-N 572.043 3.815 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(C)cc3)cc2OC)cc1 254556142 CXEBAHULZWYCLV-UHFFFAOYSA-N 503.555 3.892 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)Cc2ccccc2)cc1 1083907047 ZOTUAKQVNZVJEJ-UHFFFAOYSA-N 619.744 3.814 50 10 KHGE NC(=O)Cn1cc(C=NNC(=O)c2ccccc2NC(=O)Cc2ccc(Cl)cc2)c(-c2ccccc2)n1 1084328425 GAULHQDWLJSXHT-UHFFFAOYSA-N 514.973 3.634 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1565519623 ZWHXAVZPEUXMEG-UHFFFAOYSA-N 517.991 3.711 50 10 KHGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NNC(=O)c2cc(OC)cc(OC)c2)cc1 2313683186 UDRGEFVIMYQZRD-UHFFFAOYSA-N 516.554 3.681 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502769 WTQMVFWCCWWDLS-UHFFFAOYSA-N 512.429 3.990 50 10 KHGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCCC(C)C 256028369 HNPJHGHQMVUKAZ-UHFFFAOYSA-N 502.460 3.949 50 10 KHGE Cc1ccc(N2C(=O)[C@@H](C=NNC(=O)c3cc4cc(Br)ccc4o3)C(=O)NC2=S)cc1C 1083924619 MSWOPKNTAHUORX-INIZCTEOSA-N 513.373 3.592 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)cc1 1866881778 QZFDFVVQHZVKCS-JOCHJYFZSA-N 530.027 3.759 50 10 KHGE CCc1cc(B(O)O)ccc1NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285034539 ARWLDXAQVXHUIL-MHZLTWQESA-N 500.404 3.821 50 10 KHGE CCN(CC)c1ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(O)c1 2293972340 DDODFARBHLVHDP-UHFFFAOYSA-N 500.555 3.888 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Br 100059116 DCHFTEBZWAIQGL-UHFFFAOYSA-N 551.029 3.888 50 10 KHGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccccc1I 100145551 AONOATROSKUKKI-CYBMUJFWSA-N 519.364 3.547 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)CCCl)CC2)C2CC2)cc1 103146147 PPHZOFDXQLYZKA-UHFFFAOYSA-N 550.096 3.936 50 10 KHGE COC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103796878 VUPKBBXJGFCZBL-LSFURLLWSA-N 604.138 3.958 50 10 KHGE COc1ccc(/C(C)=N\NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1OC 104768232 ZJIZMCBIUMZUAX-QFEZKATASA-N 533.452 3.851 50 10 KHGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=NNC(=O)CCCO)(c5ccccc54)[C@@H]3C2=O)c(C)c1 1084443170 MFZODGBSOGQXHA-AXLDUSBXSA-N 507.590 3.729 50 10 KHGE Cc1cccc(COc2c(I)cc(C=NNC(=O)CN3CCOCC3)cc2I)c1 1084531709 CYSUDJCSKNYQGF-UHFFFAOYSA-N 619.241 3.566 50 10 KHGE COc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3s2)cc1OC 1866132811 ABPUFPKAHSAPGC-CXUHLZMHSA-N 500.602 3.793 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2CCO[C@]2(CBr)C1 2239905740 ZRMOOTVKLAXFPJ-LKFCYVNXSA-N 514.983 3.680 50 10 KHGE O=C(NN=Cc1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1082753728 DNRGQLUHXNONNS-UHFFFAOYSA-N 528.275 3.987 50 10 KHGE O=C(CCCO)NN=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 1084394204 OKRHOMGZHHXVKJ-PAHSPFOQSA-N 558.432 3.874 50 10 KHGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865686994 HCLSYUONYNDCLX-RUZDIDTESA-N 515.614 3.898 50 10 KHGE COCCN(C[C@H](C)Br)C(=O)c1cc(Br)ccc1I 2272435530 DLRGMDKGQFZMTH-VIFPVBQESA-N 504.988 3.926 50 10 KHGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285033000 YZMUXDNSTXUOHY-HHHXNRCGSA-N 500.404 3.875 50 10 KHGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCOCC3)c2)C1 2314476453 OVKWUWUKHHJZHJ-GOTSBHOMSA-N 559.692 3.972 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2350363794 QLAIDSDPKIZCCP-QRQCRPRQSA-N 507.719 3.971 50 10 KHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(Br)c1 13623342 WGRFPZNOCJMVMW-QFBILLFUSA-N 502.409 3.538 50 10 KHGE O=C1CCCC(=NNC(=O)c2cc(NS(=O)(=O)c3cccs3)cc(NS(=O)(=O)c3cccs3)c2)C1 254518528 IIZGVBUBKQFTED-UHFFFAOYSA-N 552.681 3.640 50 10 KHGE ClCc1cc(-n2cnc(I)c2I)ncc1Br 309208430 GMUDEVHPTHSJKW-UHFFFAOYSA-N 524.325 3.978 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 1084644884 NSSMHJVYXGVHLV-UHFFFAOYSA-N 584.607 3.531 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084646938 KVBLYDPXZWODGP-UHFFFAOYSA-N 620.482 3.786 50 10 KHGE C=C[C@@]1(CBr)COCCN1C(=O)c1cc(Br)ccc1I 2199849876 XHKCJDBTPSFOQN-CQSZACIVSA-N 514.983 3.846 50 10 KHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC12CCC(Br)CC2 2202244673 BALCGSBAFFEXTM-YFYMUDDPSA-N 501.418 3.513 50 10 KHGE C[C@]1(CBr)COCCN(C(=O)c2ccc(Br)cc2I)C1 2207265162 NUFZLCRCSTXNEP-CQSZACIVSA-N 516.999 3.927 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cscc1B(O)O 2269544141 HWMCUTHBDLJLGK-NSYGIPOTSA-N 506.433 3.559 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCCl)COCc1ccccc1 2303768354 HCGUWVMITLGLQC-OAQYLSRUSA-N 507.052 3.977 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1 2350100345 WOAXJKGVYMZUTP-KSFYIVLOSA-N 505.703 3.725 50 10 KHGE COc1cc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc(OC)c1OC 9779736 LPRFHGVYNOLTSX-UHFFFAOYSA-N 508.152 3.622 50 10 KHGE CN(C)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(N(C)C)c(Br)c2)C=3C#N)cc1Br 252669683 IJMSNDDLCWOOHW-QHCPKHFHSA-N 626.378 3.518 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCC(=O)OC)c(OCC)c2)cc1 1084489534 SAHAUCBPEPXMJO-HXUWFJFHSA-N 584.407 3.604 50 10 KHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142285279 NSCIMGRAWSTFEE-VHSXEESVSA-N 502.972 3.678 50 10 KHGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1ccc(C)cc1[N+](=O)[O-] 2297616701 BNQLXYYUFXSCGG-UHFFFAOYSA-N 522.539 3.684 50 10 KHGE O=C(CCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)NCc1ccccc1 14669699 PWGFVIJUJUPANB-UHFFFAOYSA-N 524.415 3.928 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1I 100078777 FBGOCBVAPGMSDS-UHFFFAOYSA-N 614.259 3.930 50 10 KHGE Cc1occc1C(=O)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082700 ULHGLUWGWQLUED-UHFFFAOYSA-N 541.221 3.981 50 10 KHGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 254291805 ALYZLAVIQXMVAG-FQZLMYBLSA-N 508.582 3.874 50 10 KHGE COc1cc(C=NNC(=O)COc2cccc(C)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254304938 FWKWXBZHYNFLJT-UHFFFAOYSA-N 508.527 3.778 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 1084610980 KKIJAOLGLJPBSU-UHFFFAOYSA-N 507.612 3.644 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cc(B(O)O)cs1 2269559272 STTSVJJZENVWMS-BXKMTCNYSA-N 506.433 3.559 50 10 KHGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)=C(C#N)C1=O 2314610743 LVVJTSNHRKXDLI-UHFFFAOYSA-N 585.686 3.953 50 10 KHGE COc1ccc(/C=N/NC(=O)c2nonc2NCCCl)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C 2946135 KQPUJBUXIFAIET-BRQOLZEGSA-N 543.024 3.629 50 10 KHGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 13993209 GJRTWPHHUUXUNS-ZDUSSCGKSA-N 500.187 3.822 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1I 100078719 UWNJUYVGVRWDRU-UHFFFAOYSA-N 524.167 3.556 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 100081549 DHNDRNROMOOJAL-UHFFFAOYSA-N 610.122 3.762 50 10 KHGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101340973 QIQBBPGWWJBGCF-OEAKJJBVSA-N 511.494 3.603 50 10 KHGE Cc1ccc(S(=O)(=O)/C=C(/CCl)N2CCN(/C(CCl)=N\S(=O)(=O)c3ccc(C)cc3)CC2)cc1 101783745 TYGIELWYAPFTML-HOBSEUSFSA-N 544.526 3.801 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 207235678 CAELMRNULUOUQG-DOVHKXGHSA-N 506.555 3.876 50 10 KHGE COc1ccc(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@H]3C)[C@]64OO5)CC2)cc1 215668240 AXISLXOLACSPOR-OPKPKQOFSA-N 558.672 3.875 50 10 KHGE biogenic C[C@H](Br)c1cnnn1-c1cc(I)cc(I)c1 690366805 LAFNLGSKMQPVLV-LURJTMIESA-N 503.907 3.932 50 10 KHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2ccc(I)c(Br)c2)C1 721510383 MZWUGXJCQFDJMH-VHSXEESVSA-N 502.972 3.678 50 10 KHGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 1083960986 MHMASEVCDFLFBH-KRWDZBQOSA-N 510.620 3.733 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Cl)Cc2ccccc2)cc1OC 1084051126 MXXRDYKGNAUOSX-UHFFFAOYSA-N 501.992 3.698 50 10 KHGE O=C(NC[C@@H](Br)CBr)c1ccc(I)c(Br)c1 1981565822 PFXXTQCFQKBWQV-ZETCQYMHSA-N 525.804 3.942 50 10 KHGE BrC[C@@H]1CN(c2ncc(I)cc2Br)CC2(CCC2)O1 2133376445 YFXIFCKZOIXCJD-SNVBAGLBSA-N 501.988 3.972 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2OCC[C@]2(CBr)C1 2296392766 QTPYJAOCNLKPJV-JSGCOSHPSA-N 514.983 3.680 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](CBr)C(F)(F)C1 2364217383 VCNOEEXPISSFSW-HNNXBMFYSA-N 507.397 3.525 50 10 KHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 13621143 ZRHPPKFKLLYGDL-CXUHLZMHSA-N 502.596 3.995 50 10 KHGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 33358176 SLVGBYSBKPMCTI-IBGZPJMESA-N 523.347 3.802 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC#N)c(OCC)c2)cc1 100238275 NXFPLPGFVZMLLQ-YIRYVTQCSA-N 551.381 3.955 50 10 KHGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 101335986 CWRXYYBUHGHOSG-VFCFBJKWSA-N 615.712 3.579 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] 101494454 FHRWLDGHOINRJN-UHFFFAOYSA-N 536.351 3.679 50 10 KHGE CCNC(=O)N1CCN(C(=O)/C(C#N)=C2/SC=C(c3cccc(OC)c3)N2c2ccc(OC)cc2)CC1 206545173 HYIVLZLRMOHPTJ-WNAAXNPUSA-N 519.627 3.864 50 10 KHGE O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)NN=Cc1cc2c(cc1Br)OCO2 252630872 VFKOZNIIHHVWEA-UHFFFAOYSA-N 522.768 3.628 50 10 KHGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC 254439925 ZPBOYMLHLHNZHK-UHFFFAOYSA-N 571.608 3.512 50 10 KHGE CCOc1ccc(NCC(=O)NN=Cc2ccc(C=NNC(=O)CNc3ccc(OCC)cc3)cc2)cc1 1084170559 VNSRUXAQZPBGQA-UHFFFAOYSA-N 516.602 3.608 50 10 KHGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 1084298227 CEGBLVRPQFHQJI-QHCPKHFHSA-N 574.659 3.877 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 101510606 QKMXCVRLPUMNBQ-BUVRLJJBSA-N 528.594 3.599 50 10 KHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 206640847 JTAWQBGISCKFRE-NVNXTCNLSA-N 503.540 3.504 50 10 KHGE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H]1C[C@H](C(=O)OCCl)CN(C(=O)OCc2ccccc2)C1 616574066 XOZQFUPUGAVDQX-JBACZVJFSA-N 510.031 3.694 50 10 KHGE CC(C)(NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866631165 KLPVXUHYNUYIOC-UHFFFAOYSA-N 507.037 3.990 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2269567170 MWVHSNFKOYQVRH-RUZDIDTESA-N 506.795 3.912 50 10 KHGE COCCOc1ccc(C=C(C#N)C(=O)Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3s2)cc1 2331123840 COTUEYGAUHRTFZ-UHFFFAOYSA-N 514.629 3.801 50 10 KHGE CCc1ccc(OCC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)c(Br)c1 14016924 PDDVAXYKWDZZJE-UHFFFAOYSA-N 505.409 3.884 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14030209 WIQPWDQGNJQIHI-UHFFFAOYSA-N 514.829 3.996 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 101599662 HAFCYEUFWXTUDQ-ZXVVBBHZSA-N 539.386 3.904 50 10 KHGE CC(C)(NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867230073 GDMGBXFHWWARJL-QGZVFWFLSA-N 514.409 3.591 50 10 KHGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 214428613 GGGLQGFAXWGGQG-IWIPYMOSSA-N 525.521 3.993 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214431933 NCACNSYRLRZIMM-OFWBYEQRSA-N 657.749 3.886 50 10 KHGE COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)NN=Cc4ccc(F)cc4)[C@@H]3C)c1OC)OCO2 254874907 SJYBJZLTBKRSMK-MGPLVRAMSA-N 508.300 3.548 50 10 KHGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)cc2)cc1 1083994898 NFFXGNQIKRLKKQ-UHFFFAOYSA-N 600.569 3.864 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 1084011843 NUBMZPZMSOADCB-UHFFFAOYSA-N 529.204 3.712 50 10 KHGE COc1ccc(Br)cc1C=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 1084040158 LRUZVIMQBUWMTQ-UHFFFAOYSA-N 530.444 3.841 50 10 KHGE CCN1CC[C@@H]([C@H](Br)c2cc(I)ccc2Br)S1(=O)=O 2089523879 QWWHYEANZPBVKY-NWDGAFQWSA-N 523.028 3.914 50 10 KHGE O=C(NCC[C@@H]1COC[C@H]1Br)c1ccc(I)c(Br)c1 2111282632 CIJGXAQLFJTQAD-MWLCHTKSSA-N 502.972 3.584 50 10 KHGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 13976509 IFIJIKNWUIWIPC-UHFFFAOYSA-N 521.437 3.554 50 10 KHGE COc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1I 13981568 SQHCZEXYZCJQDS-UHFFFAOYSA-N 502.308 3.807 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)c(Br)c1 14037256 YIBOBDASJQSFFI-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)ccc1OCCc1ccccc1 100314104 QHPVESPYZMDOFU-OAQYLSRUSA-N 595.519 3.755 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 206400074 REZIEDJTWPPVCF-QNGOZBTKSA-N 509.518 3.510 50 10 KHGE CCCCOCCOCCOCCO[C@](C)(CI)CNC(=O)OC(C)(C)C 379752982 OXRHXAKXUHPDDU-LJQANCHMSA-N 503.418 3.571 50 10 KHGE COc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720851 ZFWOMMSANDMHQR-UHFFFAOYSA-N 554.552 3.730 50 10 KHGE CO[C@@H]1C[C@H](NC(=O)c2ccc(I)c(Br)c2)C[C@H]1Br 2130804130 GSPWWDGYNILGAX-HLUHBDAQSA-N 502.972 3.724 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530987 UNUCCJSFGMVRKV-DXWHHXFESA-N 602.084 3.677 50 10 KHGE biogenic O=C(CNS(=O)(=O)c1ccccc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254380574 DUMYUSXPVVSAEF-UHFFFAOYSA-N 557.584 3.554 50 10 KHGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(=O)c1C#N 254528184 QZJYOCZPICWJHY-UHFFFAOYSA-N 542.346 3.564 50 10 KHGE CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@H]1C[C@@H]1[C@H]3CC(C=O)=C4C=C(OCCCl)CC[C@]4(C)[C@]3(F)[C@@H](O)C[C@]12C 263606145 QNXUUBBKHBYRFW-JRPBZAROSA-N 569.066 3.963 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084476574 YWEIOAYGDASKGJ-UHFFFAOYSA-N 539.610 3.623 50 10 KHGE COc1cc([C@@H](C)OC(=O)ON2C(=O)CCC2=O)c([N+](=O)[O-])cc1OCCCC(=O)NCCSSc1ccccn1 1857792096 ZFTXYOZPURXCEF-MRXNPFEDSA-N 608.651 3.992 50 10 KHGE O=C(NCc1nnc(CBr)s1)c1cc(Br)ccc1I 1877558025 JWNGITGXBDVRQI-UHFFFAOYSA-N 516.984 3.730 50 10 KHGE Nc1nonc1-n1nnc(C(=O)N/N=C/c2c(Br)sc3ccccc23)c1-c1ccccc1 27519278 PPBLTPAPHBYWCT-AUEPDCJTSA-N 509.349 3.641 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc(Br)ccc3O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920622 CZMITVFZEVPIFM-CJWWTDALSA-N 617.537 3.583 50 10 KHGE biogenic COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C\c1ccc(OC(C)C)c(OC)c1 207235590 CAELMRNULUOUQG-STPHPWBUSA-N 506.555 3.876 50 10 KHGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2cc(Br)ccc2I)C1 388931349 LUZSLSWBOKNEIP-VHSXEESVSA-N 502.972 3.678 50 10 KHGE C#CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 1084011915 OHOCXDWTUYOBAT-HXUWFJFHSA-N 536.366 3.674 50 10 KHGE CC(C)CNC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 1084598529 VBLOAZDASIKUIX-UHFFFAOYSA-N 531.034 3.546 50 10 KHGE CC[C@@]12CCCN1S(=O)(=O)C(=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O 1887554364 AMJNWVCJJFZOQJ-NDEPHWFRSA-O 506.584 3.907 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 100201758 NXKDXDGUAYAKFJ-UHFFFAOYSA-N 521.220 3.730 50 10 KHGE COc1cccc(OCCOc2ccc(C=NNC(=O)Cc3nnc(NC(=O)c4ccccc4)s3)cc2OC)c1 263627014 NNNCHVQLGDRKPH-UHFFFAOYSA-N 561.620 3.958 50 10 KHGE O=C(NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NC1CCCC1 725438105 DFIOBXJDUAJHAD-UHFFFAOYSA-N 543.045 3.833 50 10 KHGE CCOC(=O)COc1c(I)cc(C=NNC(=O)c2ccccc2Br)cc1OC 1084084697 DFSFSHPARBNYEG-UHFFFAOYSA-N 561.170 3.768 50 10 KHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)C2CCC(C(=O)NNC(=O)c3ccc(NC(=O)CCCC)cc3)CC2)cc1 100103742 ZZAOTXNCFYQDBK-UHFFFAOYSA-N 606.724 3.973 50 10 KHGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 100318707 HBWHPDMCYRTYQQ-QGZVFWFLSA-N 565.490 3.685 50 10 KHGE CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869706 URHHHIAKMQYVOQ-VULFUBBASA-N 538.469 3.902 50 10 KHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2Br)cc1 101795061 KTDZUPHHAIXFTP-XNTDXEJSSA-N 538.192 3.866 50 10 KHGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)cc(OC)c1OC 254612493 JQEHFFSPSQYZSM-UHFFFAOYSA-N 570.396 3.574 50 10 KHGE COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1cccc2ccccc12 1083994013 UJVZGOAYWMYYHY-UHFFFAOYSA-N 512.404 3.972 50 10 KHGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCBr)Cc1ccccc1 1956235333 ZANWPJGEGPUITM-JOCHJYFZSA-N 511.413 3.628 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314618950 XHKOLGBHDBNWMY-UHFFFAOYSA-N 609.664 3.946 50 10 KHGE CCOc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1cccc(Cl)c1 2328793485 LYTSHZJVDJMWMI-UHFFFAOYSA-N 506.946 3.884 50 10 KHGE COc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1I 100057178 KIOGIFJOXLKTDZ-UHFFFAOYSA-N 598.029 3.973 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618914 WXUZBTQBEXVZES-ZTKZIYFRSA-N 526.509 3.590 50 10 KHGE N#C[C@H](/C(=N/NC(=O)c1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 108649012 DRGJABDSOGMOLM-QESMAIAUSA-N 601.517 3.962 50 10 KHGE O=C(NC[C@@H]1C[C@@H](CBr)CO1)c1ccc(I)c(Br)c1 2101330694 DFNHYLGTMLVCNP-WPRPVWTQSA-N 502.972 3.584 50 10 KHGE N#CC(=Cc1cc(I)cc(I)c1O)C(=O)N1CCN(c2ccccc2)CC1 2313565366 XZQKNPJQTJNPFZ-UHFFFAOYSA-N 585.183 3.857 50 10 KHGE COc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1OC 256019634 WKJXWRMZWWQZKJ-GUDVDZBRSA-N 500.374 3.549 50 10 KHGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084008883 RAKCCUQRYBPTEG-UHFFFAOYSA-N 530.400 3.720 50 10 KHGE CC(=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc(Br)cc1 1084387074 ZNFAYRCSXVGIKO-UHFFFAOYSA-N 524.242 3.816 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccccc1[N+](=O)[O-] 1084637293 CPOMWLNLORGNJM-UHFFFAOYSA-N 545.415 3.741 50 10 KHGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCC(=O)N(CC)CC 1865706793 FSAWIVZAKLFWBV-XMMPIXPASA-N 501.587 3.951 50 10 KHGE O=C1CC[C@H](N2C(=O)c3cccc(NC(=O)CCCCCOCCOCCOCCCCCCI)c3C2=O)C(=O)N1 2080392380 QZIUVZMTAVRENH-QHCPKHFHSA-N 685.556 3.632 50 10 KHGE Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 103533993 DRYUIAQCLDAWLU-ZVBGSRNCSA-N 575.157 3.845 50 10 KHGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084364533 UMXKNWAITWNNCJ-UHFFFAOYSA-N 578.234 3.968 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cc(F)ccc3F)cc2)cc1 1858678767 LVKXIMMVDVNESH-UHFFFAOYSA-N 502.524 3.978 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(F)cc2)c(Br)c1 2313630175 SKLBRERMRBSXMO-UHFFFAOYSA-N 508.413 4.000 50 10 KHGE CCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1[S@](C)=O 575232157 CIBVDGZXDAXGHD-JAHBBLPXSA-N 623.297 3.877 50 10 KHGE in-vitro COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC 1083923303 FITVVVIYXWNEPS-UHFFFAOYSA-N 592.468 3.829 50 10 KHGE COc1ccc(N([C@@H](C)C(=O)NN=C(C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)cc1 1084203273 ZCQFLINKXAPQJV-IBGZPJMESA-N 508.600 3.642 50 10 KHGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1 1084357577 NIRYYZFTSIQANC-UHFFFAOYSA-N 512.975 3.597 50 10 KHGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2268679862 QPYKRMKNRJTEJU-RUZDIDTESA-N 506.795 3.830 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(C(C)(C)C)cc1 13976480 FMUFJMZKOZYSRC-UHFFFAOYSA-N 508.438 3.535 50 10 KHGE COc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100087490 KYGDISGXSNDARY-UHFFFAOYSA-N 534.638 3.960 50 10 KHGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 100165393 MDXWZIBEDODHJL-UHFFFAOYSA-N 528.428 3.785 50 10 KHGE Cc1ccc2c(c1)/C(=N\NC(=O)CC(=O)N/N=C1/C(=O)N(CCC(C)C)c3ccc(C)cc31)C(=O)N2CCC(C)C 100870101 MRQYPXXTBKRGJZ-FFUAXAOHSA-N 558.683 3.820 50 10 KHGE COc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 101833698 DYJOFWFRWRXPMU-OUTLBEJRSA-N 527.371 3.851 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OCC)cc3)cc2OC)cc1 254378803 ZJJVOPNSBICEGJ-UHFFFAOYSA-N 533.581 3.982 50 10 KHGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc(OC)c1OC 254715089 LEYOIZVZSZXPBC-MHQQVOQISA-N 520.561 3.839 50 10 KHGE O=C(NCC1(CBr)CCOCC1)c1ccc(I)c(Br)c1 721619089 GFTOHHRWGRIZMQ-UHFFFAOYSA-N 516.999 3.975 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 1083957086 XEAARYBGNJBZEO-UHFFFAOYSA-N 576.719 3.898 50 10 KHGE NC(=O)Cn1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2Br)c2ccccc21 1084349026 LBGMDMHTEFBHIE-UHFFFAOYSA-N 518.371 3.905 50 10 KHGE O=C(N[C@@H]1CCOC[C@@H]1CBr)c1cc(I)ccc1Br 1878683523 BWPNEKAASPZHHO-QPUJVOFHSA-N 502.972 3.584 50 10 KHGE C[C@H](Br)[C@H]1CN(C(=O)c2ccc(Br)cc2I)CCO1 2142288430 KKUGAUREMHMZER-QPUJVOFHSA-N 502.972 3.678 50 10 KHGE O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NN=Cc1cc(I)cc(I)c1O 2297635469 JOVMXCYOKJEDSB-UHFFFAOYSA-N 639.231 4.000 50 10 KHGE COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3ccc(F)cc3)C(C#N)=C(N)N2C1=O 3770046 ZFAAOOFRZYUAIM-CTNGQTDRSA-N 506.559 3.591 50 10 KHGE O=C(CSc1nnc(N/N=C/c2cc(Br)c(O)c(Br)c2)[nH]1)NNC(=O)c1ccc(Cl)cc1 104461415 UJOOFMJFLQMWMR-QPJQQBGISA-N 603.684 3.688 50 10 KHGE C[C@H](NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C12CC3CC(CC(C3)C1)C2 217040528 VHYWXWCVWQJZSV-RHUXRSCRSA-N 533.094 3.901 50 10 KHGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254403290 OZMKCMOTTCYIHO-ICEIZTFMSA-N 509.522 3.536 50 10 KHGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772747183 MEMMMCZTMXRFIT-UHFFFAOYSA-N 505.483 3.901 50 10 KHGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCOCC2)CCN(C(=O)OC(C)(C)C)CC1 2220636823 NOOIHLSYQNVHDV-UHFFFAOYSA-N 520.509 3.968 50 10 KHGE CC(C)(C)OC(=O)N1CCN(CCCCI)CCN(C(=O)OC(C)(C)C)CC1 2241519177 HXLYCNANNPWUBR-UHFFFAOYSA-N 511.445 3.991 50 10 KHGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100309695 XSEDQEXCMRNQGB-BJMVGYQFSA-N 557.264 3.724 50 10 KHGE CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205775177 CXYDDYNNVDWKJB-SVQVGOSPSA-N 667.769 3.706 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3OCC(=O)O)n2-c2ccccc2)cc1 254459031 XSIQQMLTKRUODG-UHFFFAOYSA-N 517.567 3.649 50 10 KHGE CCOC(=O)COc1ccccc1C=NNC(=O)COc1c(Br)cc(C)cc1Br 1082990286 DTGFZWGTQBMDQJ-UHFFFAOYSA-N 528.197 3.991 50 10 KHGE Cc1cccc(Cl)c1OCc1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)o1 1084017542 UPGMAMRRSJVDIZ-UHFFFAOYSA-N 540.005 3.938 50 10 KHGE COC(=O)COc1c(I)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084347888 VUPKBBXJGFCZBL-UHFFFAOYSA-N 604.138 3.958 50 10 KHGE CC(C)(C)OC(=O)NNc1ccc(C(=O)NCCOCCOCCC(=O)NCCC(=O)N2Cc3ccccc3C#Cc3ccccc32)cn1 1857792264 KSAWOJPTAGLJCG-UHFFFAOYSA-N 670.767 3.539 50 10 KHGE Cc1nc(I)c(I)n1-c1ccc(CBr)nc1 1936399739 OBLMIRKRVKIYNO-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@H]3CCCO3)c2)C[C@@H](C)O1 2314475817 CTPXKAKBZPVSMY-UMTXDNHDSA-N 575.691 3.539 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1(F)F 2350361222 NSJKYTMRLSNTMO-LJQANCHMSA-N 515.645 3.582 50 10 KHGE O=C(NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1)c1ccccc1Br 14040781 HNCWMVDRAKDQTM-UHFFFAOYSA-N 514.401 3.856 50 10 KHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 100080453 FQBRAVXCBCPBTR-LLVKDONJSA-N 535.247 3.933 50 10 KHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 254303301 SSKHAQVYSDONRS-UHFFFAOYSA-N 519.501 3.841 50 10 KHGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c(=O)c1C#N 1083953688 LNUWUDILTLVXIX-UHFFFAOYSA-N 524.419 3.804 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 1084472677 KDJHWGAIRSHFGZ-UHFFFAOYSA-N 529.204 3.712 50 10 KHGE CCOc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)c1 1859006312 OIPHNWOWVHOLQR-UHFFFAOYSA-N 531.518 3.582 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(Cc1ccccc1)C1(CBr)CCC1 1915750735 XPWDTPPSCYAYSM-UHFFFAOYSA-N 505.434 3.822 50 10 KHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2142285234 NLCDMHQWAKWRPZ-WPRPVWTQSA-N 502.972 3.678 50 10 KHGE CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)[C@@H](C)Cl)CC1)S(=O)(=O)c1ccccc1 34910160 LARXUQXSXGAUAP-OAQYLSRUSA-N 520.095 3.734 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OC(C)C)cc1I 100210096 YMAZXGUFSMOTBW-UHFFFAOYSA-N 533.160 3.924 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612292 MYVDVVDMHJGTPQ-CVKSISIWSA-N 519.341 3.798 50 10 KHGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217184938 PXXSPNVZCPAZOA-UGDGIKRESA-N 533.050 3.765 50 10 KHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NN=C4C(=O)N(Cc5ccccc5)c5ccccc54)c(=O)c23)C1 254804197 QBFYQDSVKFVYEK-QGZVFWFLSA-N 511.607 3.650 50 10 KHGE COC(=O)COc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084429340 HBYRIRJNVDKZQS-UHFFFAOYSA-N 544.029 3.854 50 10 KHGE O=C(O)COc1ccccc1C=NNC(=O)COc1c(Br)cc(Br)cc1Br 1565517781 FQCOGROKWDWJEL-UHFFFAOYSA-N 565.012 3.967 50 10 KHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650809 HDOGTAFSOKEYFC-UHFFFAOYSA-N 507.381 3.891 50 10 KHGE C#CCOc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 100237541 OHOCXDWTUYOBAT-FXONECCMSA-N 536.366 3.674 50 10 KHGE CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)cc1 1866131843 PTUYQMWDBJLWLC-FOWTUZBSSA-N 505.394 3.783 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 2350360667 ISVOPJJRQGERHQ-ZMPRRUGASA-N 505.703 3.725 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)cc1 14030192 ZTAKAHIUHRYZDE-UHFFFAOYSA-N 508.438 3.905 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)CCc3c[nH]c4ccccc34)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530955 KRPFBYNIKWZMKJ-GIQYTXIQSA-N 589.733 3.915 50 10 KHGE biogenic COC(=O)Oc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1OC 254754336 GYZXDNILDLCRPJ-UHFFFAOYSA-N 511.556 3.571 50 10 KHGE Cc1ccc(OCC(=O)O)c(C=NNC(=O)c2cc(Br)ccc2NS(=O)(=O)c2cccs2)c1 1081159645 WFGGOZFIIBXLLT-UHFFFAOYSA-N 552.428 3.847 50 10 KHGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1O 1084592760 AZVYMWBXZMKHJW-UHFFFAOYSA-N 502.556 3.909 50 10 KHGE C=CCOC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)C(C)C 2049382302 BZGXVVQUDVGISV-JTSKRJEESA-N 542.545 3.690 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2CCO[C@@]2(CBr)C1 2239896417 SSYZVPVCWMREIH-OTYXRUKQSA-N 514.983 3.680 50 10 KHGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285028573 ZWVNJKPCXMJPPG-XMMPIXPASA-N 520.460 3.648 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 2350363791 QLAIDSDPKIZCCP-IVZQSRNASA-N 507.719 3.971 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC)cc1 14650287 MMOITLCBDIOHHC-UHFFFAOYSA-N 521.437 3.926 50 10 KHGE CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)CCCO)c3ccccc32)cc1 59382411 WQLZVODARQYNNY-HGAPVJMOSA-N 523.589 3.511 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1 100081199 FAEQZKIBLIOMAQ-UHFFFAOYSA-N 610.122 3.762 50 10 KHGE COc1c(C=NNC(=O)c2ccccc2O)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254305029 HZQORCLCZVNCGM-QGZVFWFLSA-N 521.501 3.777 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(I)c1 1084234783 IDRDSWGOGDJECY-UHFFFAOYSA-N 529.378 3.806 50 10 KHGE CS(=O)(=O)Nc1ccc(C(=NNC(=O)Nc2ccc(Cl)cc2)c2ccc(NS(C)(=O)=O)cc2)cc1 1615944717 RQHJOCUGRBPPEY-UHFFFAOYSA-N 536.035 3.657 50 10 KHGE COc1cc(C(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC 1772720249 KBDQGBVPOIJRNF-UHFFFAOYSA-N 524.526 3.721 50 10 KHGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301110709 IXPLDNQWZPGCBD-OAQYLSRUSA-N 507.052 3.929 50 10 KHGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1cccc([N+](=O)[O-])c1 2313568054 OKZDOOGKJWNFEL-UHFFFAOYSA-N 507.284 3.782 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2371394194 PBXUHWUJJKRVIH-SEPYTNNBSA-N 519.730 3.973 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649959 BXHSCONXSPTFFT-UHFFFAOYSA-N 521.408 3.919 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(OC)c1OC 18200238 RBRDCLJCYBTNNE-BSEYFRJRSA-N 522.554 3.947 50 10 KHGE Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 33535471 KXENGAFLEVSSTA-FBHQFGEZSA-N 504.612 3.845 50 10 KHGE COc1cc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)ccc1O 254806472 ULSQQPNUPYRLPA-UHFFFAOYSA-N 549.609 3.917 50 10 KHGE CCS[C@@H]1O[C@@](COC(C)=O)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC)[C@@H]1OC(C)=O 575449040 JZSNCODNDCJVAL-ANQBNUITSA-N 632.848 3.853 50 10 KHGE COc1ccc(C(C)=NNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1OC 725391076 YXPNAVMRTDFCMY-UHFFFAOYSA-N 511.600 3.757 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084317814 TYXKQTBKTYWCBE-UHFFFAOYSA-N 516.963 3.993 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084578869 QQONUZJWRDDTDB-UHFFFAOYSA-N 644.262 3.729 50 10 KHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Br)ccc2I)C[C@@H]1Br 2130822744 MURFMJWXCVOHHH-PTOFAABTSA-N 502.972 3.724 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2COC[C@@]2(CBr)C1 2234578405 FTJBNGNXTNZOSF-YMTOWFKASA-N 514.983 3.537 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(CBr)(C(F)F)CC1 2289964139 URRRIKFZGBCIOL-UHFFFAOYSA-N 507.397 3.525 50 10 KHGE Cc1c(NC(=O)C(C#N)=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 2296545290 DPRVFFLXHZCLHN-UHFFFAOYSA-N 536.523 3.969 50 10 KHGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)Nc2ccc(I)cc2C)c1 2325406364 XOKANTVGTPLWIK-UHFFFAOYSA-N 519.295 3.631 50 10 KHGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1C 10154221 TXBSWUCVTCABAG-HXUWFJFHSA-N 507.612 3.864 50 10 KHGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)Nc3c(C)ccc(Cl)c32)c1 15015506 OUJNUWZDGMKPKK-ZHZULCJRSA-N 518.957 3.909 50 10 KHGE O=C(NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40611593 DTCPNQCBSRTZKZ-UHFFFAOYSA-N 502.362 3.771 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccc(C(=O)OC)cc1 104423923 MAWRMQDLBJPHBM-LGJNPRDNSA-N 590.447 3.710 50 10 KHGE COc1ccc2[nH]c(SCC(=O)NNC(=O)c3ccc4cc(C(=O)NNC(=O)CSc5nc6cc(OC)ccc6[nH]5)ccc4c3)nc2c1 150431059 RJGGSDAQEXLAFT-UHFFFAOYSA-N 684.760 3.716 50 10 KHGE CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@H](C)C[C@@H]2[C@H]3[C@H](Cl)CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 256072943 DJHCCTTVDRAMEH-WLRQHJOLSA-N 521.050 3.943 50 10 KHGE in-vitro COc1cccc(C=NNC(=O)c2cccc(Cl)c2NS(=O)(=O)c2cccs2)c1O[C@@H](C)C(=O)O 1081159555 KHHOTSHGOUAATM-ZDUSSCGKSA-N 538.003 3.827 50 10 KHGE COc1cc(C(=O)NN=Cc2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)cc(OC)c1OC 1083887371 SHNRUABLMIEZNK-UHFFFAOYSA-N 519.558 3.711 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 1084082068 BDFQKAVKZMQJRD-UHFFFAOYSA-N 524.002 3.630 50 10 KHGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746930 JCXIVXDDRQAXDY-UHFFFAOYSA-N 500.599 3.787 50 10 KHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4cc(Cl)cc(Br)c4O)c(=O)c23)C1 1860772825 IKKGCYLSZYAAIK-SHXZHWHGSA-N 509.813 3.855 50 10 KHGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686841 CFONHZULFIUAEU-SANMLTNESA-N 533.604 3.571 50 10 KHGE O=C(NCC12CC(CBr)(CO1)C2)c1ccc(I)c(Br)c1 2159575868 LSYPVALZRHHJEE-UHFFFAOYSA-N 514.983 3.728 50 10 KHGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccccc1F 40658200 AOVFQHLHIOIOID-UHFFFAOYSA-N 501.478 3.556 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214312384 MNIOFGAVNGPMHH-MIXAMLLLSA-N 620.691 3.748 50 10 KHGE O=C(COc1cccc(C=NNC(=O)C(=O)NCCc2ccccc2)c1)Nc1cccc(C(F)(F)F)c1 252625684 QOZOPKOJVXGICN-UHFFFAOYSA-N 512.488 3.532 50 10 KHGE O=C(NCC[C@@H]1COC[C@H]1Br)c1cc(Br)ccc1I 2111280416 RBZKCFQYMQGSEG-LDYMZIIASA-N 502.972 3.584 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cccc(O)c3)n2-c2ccccc2)cc(OC)c1OC 8566037 ARVMCQYDCJJYIT-UHFFFAOYSA-N 519.583 3.908 50 10 KHGE O=C(CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCNC(=O)CCSSCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21 643961305 ZJVGOGQIAYMKAS-BZQRDXLOSA-N 869.145 3.609 50 10 KHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510924 QPQVPKJCNYVEBG-UHFFFAOYSA-N 504.612 3.852 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1I 100091578 WPNCMKXRPDLEKG-UHFFFAOYSA-N 531.803 3.584 50 10 KHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(I)c1 100449523 IUUBPHPCDBWTJN-UHFFFAOYSA-N 506.127 3.778 50 10 KHGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 103929253 QGPDRTWIAQWTOO-CCVNUDIWSA-N 546.588 3.811 50 10 KHGE COc1ccc(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@@H]3C)[C@@]46OO5)CC2)cc1 254622387 AXISLXOLACSPOR-RARFWXCLSA-N 558.672 3.875 50 10 KHGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3OCC(=O)O)nnc2-c2ccccc2)cc1 254646565 VACWRVXEPDFGLI-UHFFFAOYSA-N 501.568 3.949 50 10 KHGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNS(=O)(=O)c2ccccc2)c1 254696775 BNUOFXKIMXJOFG-UHFFFAOYSA-N 501.564 3.796 50 10 KHGE COc1ccccc1C=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC 1084588504 JPAFGOPVOOMDAX-UHFFFAOYSA-N 532.416 3.812 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)CS(=O)(=O)c2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866882391 LKXFDWIQINEMMP-DEOSSOPVSA-N 572.064 3.978 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)cc1I 10331130 FRXXKALDMGOXMZ-UHFFFAOYSA-N 516.335 3.996 50 10 KHGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1Cl 14667380 DFTSXSTUWRAPOL-UHFFFAOYSA-N 514.829 3.852 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC(=O)OC)c(OCC)c2)cc1 100235196 XAZHWFZKVVDWTH-ANRZFROFSA-N 537.407 3.762 50 10 KHGE O=S(=O)(/N=C1/C=C/C(=N\S(=O)(=O)c2ccccc2)[C@H](Br)[C@@H]1Br)c1ccccc1 101051785 DMRSNQOTECEXAV-BMIHNBKRSA-N 546.262 3.743 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN=Cc1c[nH]c2ccccc12 254517582 CIKSLKVVOPIVQU-UHFFFAOYSA-N 514.629 3.552 50 10 KHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccccc1[N+](=O)[O-] 1084568804 SHGFXIVNPALLLR-UHFFFAOYSA-N 531.388 3.699 50 10 KHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1ccc(I)c(Br)c1 2097938281 MCNVECXOSXQLSI-ZJUUUORDSA-N 502.972 3.726 50 10 KHGE O=C(c1cc(Br)ccc1I)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146696078 VXONVFQMTCXLRX-BIMULSAOSA-N 514.983 3.821 50 10 KHGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)c1 10471884 NDGNLMAMPKSPGP-UHFFFAOYSA-N 500.802 3.604 50 10 KHGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 14668644 KHVPJYGJUVVJMJ-UHFFFAOYSA-N 500.802 3.604 50 10 KHGE CN1C(=O)/C(=N\NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c2cc(Br)ccc21 97997076 YLOQGRIYUTZNNC-PUUKXZHJSA-N 548.353 3.625 50 10 KHGE CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869766 XJVJQJMNKFIBKT-MZJWZYIUSA-N 568.495 3.911 50 10 KHGE COc1ccccc1N1CCN(/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)CC1 217254173 FBADXRJLJVAONA-ICFOKQHNSA-N 502.356 3.776 50 10 KHGE CC1(C)[C@]2(C(=O)NCCCNC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256018926 AENPEZGPSCAJCD-MULTWPSQSA-N 588.381 3.927 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccc(C(=O)O)cc1)c1ccccc1 1084149780 HULDCNGFOWUFKN-UHFFFAOYSA-N 546.399 3.502 50 10 KHGE C[C@@]12CCCCN1S(=O)(=O)C(=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O 1887588368 SAJLLINFBFKXLX-NDEPHWFRSA-O 506.584 3.907 50 10 KHGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2cc(Br)ccc2I)C1 2109025623 WFNWESXPHAYVRL-NXEZZACHSA-N 502.972 3.678 50 10 KHGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1I 14667913 WVYWEUMNESWRFO-UHFFFAOYSA-N 503.134 3.916 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccccc1Br 58989061 WKOWNRZKFWSAKT-GZIVZEMBSA-N 500.209 3.971 50 10 KHGE O=C(N/N=C/c1cc(O)c(O)c(Br)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 101018002 FGIGVOFZCJFSFI-RJFRPWIZSA-N 525.315 3.690 50 10 KHGE Cc1ccc(S(=O)(=O)N(C)N(C(=O)c2ccccc2Br)C2=NS(=O)(=O)c3ccccc32)cc1 105650210 HQDQVUNLWFAUQO-UHFFFAOYSA-N 548.440 3.585 50 10 KHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1cc(Br)ccc1I 235615607 MHMCZJVBKVIHMY-WPRPVWTQSA-N 502.972 3.678 50 10 KHGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1OC 1084062017 ZJIZMCBIUMZUAX-UHFFFAOYSA-N 533.452 3.851 50 10 KHGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720593 SSAKJTLFCWJSPM-UHFFFAOYSA-N 584.423 3.964 50 10 KHGE O=C(NN=Cc1cc(Br)ccc1O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297451050 FZBLLIZYIUDSND-UHFFFAOYSA-N 509.316 3.984 50 10 KHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 12570102 QMPLONGKUJCQOC-AWEZNQCLSA-N 511.431 3.818 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC(=O)OC)c(OCC)c2)cc1 100238292 SAHAUCBPEPXMJO-ANRZFROFSA-N 584.407 3.604 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 206400589 PJKJECPYEPTRNE-JWGURIENSA-N 523.545 3.900 50 10 KHGE O=C(NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCOCC1 254379718 IJIXVZSLECPVEL-UHFFFAOYSA-N 550.571 3.620 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCCN1CCOCC1 1865687355 PGAHUMOQNLGRGD-QFIPXVFZSA-N 541.530 3.829 50 10 KHGE O=C(NC[C@@H](Br)CBr)c1ccc(Br)cc1I 1995286207 QFVAULCINXSLKO-ZETCQYMHSA-N 525.804 3.942 50 10 KHGE Brc1cc(I)cnc1N1C[C@@H](Br)C2(CCOCC2)C1 2133379913 XJGKAKBIPPLTJL-LLVKDONJSA-N 501.988 3.829 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(OC)c2)cc1Br 14041457 UEFXKAOOKZBJAK-UHFFFAOYSA-N 510.410 3.595 50 10 KHGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1 100081346 RURFRXOMMJNGSW-UHFFFAOYSA-N 549.609 3.859 50 10 KHGE C=C[C@](O)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC 575449049 LDOSMOMSBPPRGF-CRQTZHJHSA-N 512.719 3.762 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 1865687117 JQSRHODTRGLAEP-SANMLTNESA-N 536.032 3.831 50 10 KHGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)c(C)n2)cc1 1865757868 YIXNRTBXCQIEKD-UHFFFAOYSA-N 505.534 3.631 50 10 KHGE Cc1c(B(O)O)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887520342 BCTIRICGJIEMDL-UHFFFAOYSA-N 571.483 3.771 50 10 KHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 100248651 DJHBUTLZHQOIHG-UHFFFAOYSA-N 589.306 3.650 50 10 KHGE N#Cc1ccccc1OCC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084503387 SEVABGRDDYPMPY-UHFFFAOYSA-N 503.356 3.809 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc(OC)c1OC 38700413 WGRXKLQVDFRKBK-JWQCQUIFSA-N 516.506 3.676 50 10 KHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1ccccc1 101013193 HEJUKXCKDLCHBL-DIBXZPPDSA-N 560.657 3.899 50 10 KHGE COCCCNC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 725394873 ILCABWXULXZXCJ-UHFFFAOYSA-N 581.478 3.580 50 10 KHGE C[C@H](Oc1c(F)cccc1C=NNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccs1)C(=O)O 1081159493 AQNLWCWDWHCYBD-LBPRGKRZSA-N 525.967 3.957 50 10 KHGE CSc1ccc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 1084059250 NUOYOJFFEHRXHN-UHFFFAOYSA-N 549.678 3.552 50 10 KHGE O=C(NC[C@@H](Br)CBr)c1cc(I)ccc1Br 1981566022 QRZIVTKFOSUJKQ-LURJTMIESA-N 525.804 3.942 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2OCC[C@]2(CBr)C1 2296377173 DYJSZGFTJROUHQ-OCCSQVGLSA-N 514.983 3.680 50 10 KHGE CCOc1ccc(C=CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 2330193202 BXTHJRQOHJJJCI-UHFFFAOYSA-N 525.539 3.800 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)ccc1Br 12573641 DNEHVPCIJNEVRH-UHFFFAOYSA-N 515.227 3.543 50 10 KHGE COc1cccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)c1 58991967 PUUSFUOARAGYFV-ZVHZXABRSA-N 503.426 3.843 50 10 KHGE COc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1I 150360928 HCISOQYJZJICOS-UHFFFAOYSA-N 736.345 3.866 50 10 KHGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc(OC)c1O 254391481 FIJZUGHJQQQRED-OWAXBMMOSA-N 506.534 3.536 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1083936797 VDWTWIYFAGJEFC-UHFFFAOYSA-N 550.952 3.750 50 10 KHGE Cc1cc(C=NNC(=O)COc2cccc(Br)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084236395 FKMHYVLFFLMLHB-UHFFFAOYSA-N 514.332 3.782 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccccc1O)c1ccccc1 1084501099 FFUHEWVAPPRNBB-UHFFFAOYSA-N 518.389 3.509 50 10 KHGE COc1ccc(Br)cc1C=NNC(=O)CN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 1084506795 UYXQOPJNLBWQCX-UHFFFAOYSA-N 527.400 3.564 50 10 KHGE O=C(Nc1nnc(CCl)s1)c1c[nH]c2c(I)cc(Br)cc2c1=O 1866447455 DADCUNMTDAFXIV-UHFFFAOYSA-N 525.553 3.738 50 10 KHGE Cc1nc(I)c(I)n1CC1(CBr)CCOCC1 1941541057 IRHAWUXBTMBSLE-UHFFFAOYSA-N 524.966 3.592 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@@H](CBr)OCC12CC2 2183974950 STNDVMBKVOVTCR-SNVBAGLBSA-N 514.983 3.822 50 10 KHGE COc1cc(/C=N/NC(=O)CN2CCOCC2)c(Br)cc1OCc1cccc2ccccc12 59246859 UJVZGOAYWMYYHY-JFLMPSFJSA-N 512.404 3.972 50 10 KHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCOC)cc1 100203420 NCBKNAZKAGWSEO-HNNXBMFYSA-N 538.464 3.702 50 10 KHGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)CC1 1772749635 NTHMCZJMGQGSPE-UHFFFAOYSA-N 507.418 3.908 50 10 KHGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c(C)c1 1865852323 SGBNNQSCIBDLNJ-UHFFFAOYSA-N 502.596 3.861 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 2324610054 FWBBZUVXIANNAQ-UHFFFAOYSA-N 515.658 3.880 50 10 KHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(=O)OCCC)cc1 14036261 IDXBQYKULNSMFV-UHFFFAOYSA-N 501.605 3.537 50 10 KHGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065530 AHBQULFWCJFYTN-KOEQRZSOSA-N 513.348 3.797 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@@H](CBr)OCC12CC2 2183973605 COUSCZMAMFJEHN-SNVBAGLBSA-N 514.983 3.822 50 10 KHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC12CCCCC2 2241026368 KTWUZBVBGGTLJX-YWZLYKJASA-N 501.418 3.513 50 10 KHGE CCC(=CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321381468 HIHVABIOIUEUPT-LJQANCHMSA-N 504.406 3.940 50 10 KHGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101333893 UINMYQMKUVELHW-BUVRLJJBSA-N 529.622 3.790 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc(OC)c1OC 101368574 QEQFRMQGGSKOIX-VWLOTQADSA-N 533.493 3.823 50 10 KHGE COc1c2c(c(Br)c([C@H]3ON=C(C(=O)NN=Cc4ccc(F)cc4)[C@H]3C)c1OC)OCO2 254874904 SJYBJZLTBKRSMK-HWPZZCPQSA-N 508.300 3.548 50 10 KHGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2cc(I)ccc2Br)C1 388657599 AWAXMBCPIMCLMZ-UWVGGRQHSA-N 502.972 3.678 50 10 KHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2cc(Br)ccc2I)C1 388931352 LUZSLSWBOKNEIP-ZJUUUORDSA-N 502.972 3.678 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)Cc2ccccc2)cc1OC 725424262 WRTZPBGJFDRVIJ-UHFFFAOYSA-N 630.723 3.740 50 10 KHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(Cl)cc1 1084398706 WODHLAYWWBORSJ-UHFFFAOYSA-N 510.816 3.863 50 10 KHGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1084609966 SDBYMZPEJUESOA-UHFFFAOYSA-N 537.638 3.575 50 10 KHGE C=C(C=O)[C@@H]1CC[C@]2(C)[C@H](C[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@H]([C@](C)(O)C/C=C/C(C)(C)O)CC[C@@]32C)[C@@]1(C)CCC(=O)O 2080447374 LLOPBMFQDSMMHQ-APLPXSCPSA-N 650.850 3.762 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=CNc1c(Br)cc([N+](=O)[O-])cc1Br 2314585826 WMNWKHRETARJTI-GFCCVEGCSA-N 540.168 3.803 50 10 KHGE C[C@H](Oc1cccc2cccnc12)C(=O)N/N=C(/S)NC(=O)c1cc2cc(Br)ccc2oc1=O 3669153 VKALKLRTCMVBAQ-LBPRGKRZSA-N 541.383 3.618 50 10 KHGE CSCC[C@@H](NC(=O)N[C@H](CCSC)C(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 5431426 UAMQNDYCCRCTJH-WOJBJXKFSA-N 566.614 3.557 50 10 KHGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(NC(=O)C2CC2)cc1 14041893 NUTXYRNSDWOWSG-UHFFFAOYSA-N 502.596 3.606 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100082319 NKWGLSHIZBEWTC-LLVKDONJSA-N 535.247 3.933 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 100201788 JDZKMTCZORSROP-UHFFFAOYSA-N 542.455 3.942 50 10 KHGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100282286 PSOPHXGJSLUNCN-UHFFFAOYSA-N 532.622 3.972 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 101606645 GJGCIJGNIGXUSV-CVKSISIWSA-N 519.341 3.798 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1ccc(Br)cc1 104768444 ZFQCLBPGQWSLJG-FOKLQQMPSA-N 554.268 3.912 50 10 KHGE O=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1nonc1C(=O)NN=Cc1cc(Cl)cc(Cl)c1O 1084110713 ROCOEDQJLQRSBJ-UHFFFAOYSA-N 532.127 3.622 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751379 AGGDGUYUKZFIJF-UHFFFAOYSA-N 563.405 3.583 50 10 KHGE CSCC[C@H](NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866898621 FPJUSMBLDLRABU-DEOSSOPVSA-N 537.711 3.809 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1c(Br)cc(N)cc1Br 2181744513 DXKAIMLWYBNDMZ-UHFFFAOYSA-N 565.375 3.978 50 10 KHGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1cc(Br)ccc1I 2279409706 PKMZYIYDJFUCFN-KOLCDFICSA-N 516.999 3.974 50 10 KHGE COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc(I)c1O 2296473038 UAPREMAJDGQBTJ-UHFFFAOYSA-N 547.374 3.988 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 2314760656 UHXMUKGPGYUYTH-UHFFFAOYSA-N 527.533 3.883 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065513 XBECHKCKEWOXBZ-NLRVBDNBSA-N 554.357 3.804 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)C1 2346643397 DRJWGEKVDKLGLO-ZMPRRUGASA-N 505.703 3.725 50 10 KHGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)c(Br)c1 14654326 OSCKDFYWFRDRAN-UHFFFAOYSA-N 506.422 3.998 50 10 KHGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080776 IBZXVPLPKIMROA-UHFFFAOYSA-N 592.697 3.685 50 10 KHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 100248692 ACDFXMRZHAZULJ-UHFFFAOYSA-N 538.464 3.702 50 10 KHGE O=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1 254795962 UWXAINMTQUASCS-UHFFFAOYSA-N 501.608 3.878 50 10 KHGE C=CCNC(=O)C(=O)NN=Cc1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 1084140444 SSZXNYSLNDEEBK-UHFFFAOYSA-N 558.216 3.534 50 10 KHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CC(c4ccccc4)c4ccccc4)c(=O)c23)C1 1860769853 JRKMECHSZBSZFD-SFHVURJKSA-N 500.624 3.952 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C2CCC(N3CCN(C)CC3)CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867282910 GAISRTXUTNBYDX-HMFNHSOVSA-N 563.724 3.657 50 10 KHGE C[C@H](Br)[C@@H]1CN(C(=O)c2ccc(Br)cc2I)CCO1 2142288431 KKUGAUREMHMZER-UFBFGSQYSA-N 502.972 3.678 50 10 KHGE COc1ccc(C=CC(=O)NCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 2296382175 ZKAQATPVWSMQMG-UHFFFAOYSA-N 502.958 3.545 50 10 KHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 10276383 QYZGYXHCHLFPHG-UHFFFAOYSA-N 514.431 3.903 50 10 KHGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Br)cc(Br)c1OC 100869621 KXJKJADBJBVPAS-WYMPLXKRSA-N 527.213 3.889 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1ccccc1O 104768517 RDNGKJYPSLCTMZ-AUEPDCJTSA-N 570.267 3.618 50 10 KHGE N#CC1=C(N)n2c(s/c(=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)c2=O)=C(C#N)[C@H]1c1ccc(OCC(=O)Nc2ccccc2)cc1 150480488 ITRRQJMOHPBEBF-RWDOLDLMSA-N 680.746 3.896 50 10 KHGE COc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254311602 VCSBGKKPZROWLK-UHFFFAOYSA-N 511.403 3.741 50 10 KHGE CCCN(CCC)CN1C(=O)C(=NNC(=O)COc2ccc(OC)cc2)c2cc(Br)ccc21 254529234 XMCQCCRYDWIFQG-UHFFFAOYSA-N 517.424 3.783 50 10 KHGE C[C@@H]1[C@H](OC(=O)CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254841902 UZEOVNLCUPRZCB-GNUAFFMBSA-N 586.682 3.591 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)cc(OC)c2OC)cc1 1084097628 WZGRTRHRSXDJQO-GOSISDBHSA-N 512.344 3.671 50 10 KHGE COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858991466 UKKIAFIIMKMJOF-UHFFFAOYSA-N 510.597 3.751 50 10 KHGE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1OC 1866802488 FIFNBKMYWSLBQR-RUZDIDTESA-N 539.635 3.937 50 10 KHGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2ccc(I)c(Br)c2)C1 2109017937 MVQAJPUGRYKTDN-ZJUUUORDSA-N 502.972 3.678 50 10 KHGE BrC[C@H]1C[C@H]2[C@@H](C1)OCCN2c1ncc(I)cc1Br 2135046504 MYHIDGLFYCOIJB-KPXOXKRLSA-N 501.988 3.827 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2361446479 MXZZBPPIADAWAR-CJNGLKHVSA-N 511.360 3.573 50 10 KHGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629838 LQOLAEBUHAOMMC-KRWDZBQOSA-N 506.397 3.811 50 10 KHGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 13978773 SBLKNRKOUHARRT-UHFFFAOYSA-N 506.809 3.899 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1Br 14770976 LCJASUNSCNJPOH-UHFFFAOYSA-N 500.802 3.524 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)CC1 100103678 CUGSJHMWDKLVNH-UHFFFAOYSA-N 606.290 3.859 50 10 KHGE Cc1ccc(CCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1 1858958876 VJDAMACGIWBINP-UHFFFAOYSA-N 515.519 3.769 50 10 KHGE Cc1c(C(=O)OC(C)(C)C)cc(B(O)O)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887522128 DQXADOOUIXJMFD-UHFFFAOYSA-N 542.441 3.701 50 10 KHGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1ccc(I)c(Br)c1 2206496609 AURDCKUEXOHJMX-NEPJUHHUSA-N 514.983 3.869 50 10 KHGE C=CC[C@@]1(CBr)CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2287847062 SJXCYJOBQSPGFN-RTWAWAEBSA-N 501.418 3.536 50 10 KHGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)c1 2297468087 PGRYVKCVCUIGQC-UHFFFAOYSA-N 501.568 3.606 50 10 KHGE COc1ccc(C=C(C#N)C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1OC 2329700304 KZFOLJKNXHUHTC-VWLOTQADSA-N 528.561 3.972 50 10 KHGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc2ccccc2c1 59246795 DGJYOBOINXIQNI-JFLMPSFJSA-N 512.404 3.972 50 10 KHGE Cc1cccc(Cl)c1OCc1ccc(/C=N/Nc2nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)o1 59880270 ROKZHIKFSSVQND-AKRDWEBESA-N 520.015 3.669 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)[C@H](C)Cl)CC2)C2CC2)cc1 103146120 AWWSBZDNSHQTSQ-FQEVSTJZSA-N 550.096 3.934 50 10 KHGE O=C(/C=C/c1ccc(F)cc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859004555 AUFVYHSRKJTTIB-LHHJGKSTSA-N 513.503 3.583 50 10 KHGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cnn(CCCBr)c1)Cc1ccccc1 2009621426 FXGUYOVNZQABPB-UHFFFAOYSA-N 505.482 3.991 50 10 KHGE CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Oc2ccc(C)cc2)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1OC(C)=O 2055398468 NSTBSPDCIGNMMF-GNADVCDUSA-N 510.656 3.916 50 10 KHGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2cc(I)ccc2Br)C1 2109026167 ZUCGAGBKMBRPPZ-WCBMZHEXSA-N 502.972 3.678 50 10 KHGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc2c(c1)OCO2 2313568967 ZSYOTYYNABYITF-UHFFFAOYSA-N 506.296 3.603 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC(C)=O 6073972 SBBWGJJXEJENHA-QPEQYQDCSA-N 507.240 3.679 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1Br 14771004 VOGKHESZKIYNJH-UHFFFAOYSA-N 508.438 3.994 50 10 KHGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 35446819 RGPLZSQSWPJLPY-QFVBLGFASA-N 504.612 3.928 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)cc(I)c2O)cc1 100234425 OCHYYDGADSUIED-ZTBJCTOSSA-N 594.187 3.964 50 10 KHGE N#CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 100451934 WLGGBJMTVXROHO-QWUOEIFBSA-N 542.171 3.920 50 10 KHGE Cc1cc(/C=N/NC(=O)COc2ccccc2I)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 103792646 MCPDXEUBINSOIJ-OPEKNORGSA-N 561.332 3.624 50 10 KHGE COc1ccc(N(CC(=O)NN=C(C)c2cccs2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 252629549 UIUYBMFHZONNJU-UHFFFAOYSA-N 502.574 3.709 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(Br)cc3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530900 BBIBEWFLADSSMB-JRZCIFNOSA-N 601.538 3.878 50 10 KHGE biogenic CC(=O)N[C@H]1[C@H](O[C@H](C)C(=O)NNC(=O)c2ccc3ccccc3c2)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1OCc1ccccc1 504491574 HVOBNXMVASDBRD-ATEXTVMGSA-N 639.705 3.935 50 10 KHGE biogenic O=C(Cl)c1c(I)ccc(I)c1I 575715302 VJFGUZNNMGJROL-UHFFFAOYSA-N 518.257 3.879 50 10 KHGE O=C(NN=Cc1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])C1(C(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 1082753692 XRTLBASCIRWPGY-UHFFFAOYSA-N 750.724 3.809 50 10 KHGE COc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)ccc1OCc1ccccc1 1084299638 SRNVNCCFCZRRPF-UHFFFAOYSA-N 501.992 3.844 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCCN1CCOCC1 1865687662 XIWKHHWSCYHAHU-RUZDIDTESA-N 522.005 3.772 50 10 KHGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCc2nc(O)c3ccccc3n2)cc1 1867262501 SSBHBKIKRHOFPC-QHCPKHFHSA-N 513.579 3.913 50 10 KHGE O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCC(=O)NCCSSCCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21 2080504215 SECDFCIBBRXPFL-SIKBRWFVSA-N 913.198 3.626 50 10 KHGE O=C(NCC[C@@H]1COC[C@@H]1Br)c1cc(Br)ccc1I 2111280414 RBZKCFQYMQGSEG-KCJUWKMLSA-N 502.972 3.584 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2350353031 HHKWLLZFNGWKQH-CJKQYIFKSA-N 505.703 3.581 50 10 KHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 10276353 LRZFTVBZGYKIEG-UHFFFAOYSA-N 520.611 3.612 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)cc(C)c2)cc1Br 14041426 NBZKZFIWSOBWBO-UHFFFAOYSA-N 508.438 3.959 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1Br 14041428 MUSIMQDIVMNKFY-UHFFFAOYSA-N 508.438 3.959 50 10 KHGE COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(C(=O)CCCCCCl)CC1 23329806 SHBWUTBFDGSZEG-UHFFFAOYSA-N 520.095 3.890 50 10 KHGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594099 KLOVCCYRAYQOKU-UHFFFAOYSA-N 516.470 3.612 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100203295 ZETCVIVCIPBRSA-LLVKDONJSA-N 565.273 3.884 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1I 100210835 KKFAHMFBEWPEKK-UHFFFAOYSA-N 592.253 3.799 50 10 KHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 150363811 FVUAJAWVULUMHV-UHFFFAOYSA-N 641.512 3.970 50 10 KHGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1Cl 725389098 YRMWKBNMTZIVCT-QGZVFWFLSA-N 508.962 3.694 50 10 KHGE CCOc1cc(C=NNC(=O)CCNC(=O)c2ccccc2Br)cc(Br)c1O 1772719768 UTBSGCRQCVJYNU-UHFFFAOYSA-N 513.186 3.586 50 10 KHGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1cc(I)ccc1Br 1878683524 BWPNEKAASPZHHO-UFBFGSQYSA-N 502.972 3.584 50 10 KHGE O=C(Cc1cc(Br)cc(Br)c1)NCCOCCCI 2277927054 NXPGTKQANZFUHG-UHFFFAOYSA-N 504.988 3.712 50 10 KHGE CCc1cc(B(O)O)ccc1NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285022378 ARWLDXAQVXHUIL-HHHXNRCGSA-N 500.404 3.821 50 10 KHGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313568265 QUGKZCKLCGHBSI-UHFFFAOYSA-N 507.284 3.782 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 12500815 MLXKSIYSCGSMTR-UHFFFAOYSA-N 515.227 3.543 50 10 KHGE C=CCn1c(CCc2ccc(I)cc2)nnc1SCC(=O)NNC(=O)c1ccc(F)cc1 104461291 QOUALRUCDCHMFX-UHFFFAOYSA-N 565.412 3.546 50 10 KHGE CCN(CC)c1ccc(/C=C2/CCC(C=NNC(=O)Cn3nnc(-c4ccccc4)n3)=C2N2CCOCC2)cc1 245284007 PPYLKIBLDJRSGP-BENVOHSXSA-N 540.672 3.752 50 10 KHGE O=C(CSc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)[nH]1)NNC(=O)C1CCC1 253578307 YEKWMRHWTKTFSQ-BRJLIKDPSA-N 558.462 3.632 50 10 KHGE O=C(CNC(=O)n1c(-c2ccccn2)nc2ccccc21)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 254290096 GQLOBYYBOLZQHI-UHFFFAOYSA-N 529.560 3.723 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748364 WMEOJCRWYHDWKT-UHFFFAOYSA-N 544.793 3.944 50 10 KHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC1CCCCC1 2164513863 MAVUZERRNFCVHT-KKSFZXQISA-N 503.434 3.664 50 10 KHGE C[C@]1(CBr)COCCN(C(=O)c2ccc(I)c(Br)c2)C1 2199825797 ULWHNBAKOXRQCH-CQSZACIVSA-N 516.999 3.927 50 10 KHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Br)c(C)c1 2314795819 UNPLLMZJCMWHIP-UHFFFAOYSA-N 515.360 3.516 50 10 KHGE CC[C@@H](NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc2c(c1)CCCC2 2325092753 FKOPRSWVOIKCNN-HHHXNRCGSA-N 506.672 3.855 50 10 KHGE ClCc1cnc(-n2cnc(I)c2I)c(Br)c1 309312914 ONQNXNKGJPXTAA-UHFFFAOYSA-N 524.325 3.978 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)c(OC)c1 1084081801 XOYQIZNXNCLWTC-UHFFFAOYSA-N 519.023 3.681 50 10 KHGE Cc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1084365302 FSCKBHYEUBWFML-UHFFFAOYSA-N 505.575 3.974 50 10 KHGE C=CCN1C(=O)/C(=C\c2cc(Br)ccc2OCC(=O)O)SC1=NNC(=O)Cc1ccccc1 1772718886 UTSJOUOAUWVEPN-LMEPTBFJSA-N 530.400 3.645 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc(Br)cc3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642403 BBIBEWFLADSSMB-CWLHSXRESA-N 601.538 3.878 50 10 KHGE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349649488 IBWKBXJMJKVFPD-KSFYIVLOSA-N 507.719 3.973 50 10 KHGE C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1Br 14026891 QEABVPPBLXYAMT-JTQLQIEISA-N 506.578 3.859 50 10 KHGE COc1ccc(/C(C)=N\NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1 58991873 GEMKMNSLNPQPHN-OYKKKHCWSA-N 503.426 3.843 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1I 100078747 XDEJTQGLKJLSGK-UHFFFAOYSA-N 545.402 3.767 50 10 KHGE CCCN1C(=O)C(=NNC(=O)c2cccc(I)c2)c2cc(Br)ccc21 252598765 DDLXYETWXPJQPL-UHFFFAOYSA-N 512.145 3.944 50 10 KHGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1ccncc1 1084079340 RTPNCHYXTOOUIE-UHFFFAOYSA-N 538.431 3.638 50 10 KHGE Cc1sc(CNC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2285027078 RGYWSSJSSZNUOV-XMMPIXPASA-N 520.460 3.614 50 10 KHGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)ccc1Cl 13979725 ZQYZBPSJJGLEDO-UHFFFAOYSA-N 506.578 3.779 50 10 KHGE CCOc1ccc(NCc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2-c2ccccc2)cc1 59809170 ZQCAITNZQCCJCJ-UHFFFAOYSA-N 502.600 3.831 50 10 KHGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccccc1I 100079761 BNXNRPWZAZPEEG-SECBINFHSA-N 538.194 3.701 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccccc1I 150387887 ZVSXGGCDHQABOS-UHFFFAOYSA-N 613.069 3.531 50 10 KHGE CC[C@@H](NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866632202 NFJPVJXBUSOGTA-HXUWFJFHSA-N 507.037 3.990 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc(Br)cc3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642402 BBIBEWFLADSSMB-COVNGFGYSA-N 601.538 3.878 50 10 KHGE COc1cc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 18200236 RBRDCLJCYBTNNE-SHACYNPGSA-N 522.554 3.947 50 10 KHGE CCCN1C(=O)/C(=N\NC(=O)CCCCCCC(=O)N/N=C2\C(=O)N(CCC)c3ccccc32)c2ccccc21 102443217 CWSIUEPIQOGEJP-YSBSNMNTSA-N 544.656 3.881 50 10 KHGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccc(C)cc3)cc2OC)cc1 254836176 PAXVEPMPBPHGSS-UHFFFAOYSA-N 553.637 3.830 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1 725387437 LYPMMARPGOFUAZ-SFHVURJKSA-N 513.772 3.929 50 10 KHGE O=C(NN=Cc1cc(Br)ccc1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295829716 HXKOUTAOBXMRRY-UHFFFAOYSA-N 508.328 3.805 50 10 KHGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CCCl)c3ccccc32)c1 2297460668 KXXWHMPKBVPCRX-UHFFFAOYSA-N 532.984 3.581 50 10 KHGE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NNC(=O)C(c1ccccc1)c1ccccc1 2313682948 OIVWQPNXFQTXPJ-UHFFFAOYSA-N 500.530 3.818 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 2314647006 YTOVXSCSWMLLHN-HHHXNRCGSA-N 697.795 3.715 50 10 KHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1c(C)cc(Br)cc1C 2314795635 CBCOODDNMZUAGU-UHFFFAOYSA-N 529.387 3.825 50 10 KHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040779 SPODOSYLEWDIPO-UHFFFAOYSA-N 520.611 3.688 50 10 KHGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cc(Br)cc(I)c1O 58887394 FTLDNAQNHSHEFC-IXJMWADBSA-N 503.134 3.723 50 10 KHGE COc1ccccc1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061570 OMDRGSFWMCEBFD-UHFFFAOYSA-N 538.192 3.979 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100128284 ZEQFVGQXBPMTSX-UHFFFAOYSA-N 545.253 3.633 50 10 KHGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCCc1ccccc1 102011463 DNYPXNZBASFNJZ-DSWROXKMSA-N 531.638 3.758 50 10 KHGE Cc1c(N(CC(=O)NN=Cc2cccc3ccccc23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 254311625 JKXNVCKMIIQTCH-UHFFFAOYSA-N 553.644 3.983 50 10 KHGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc(OC)c1OC 254715086 LEYOIZVZSZXPBC-DMKKOOFNSA-N 520.561 3.839 50 10 KHGE COc1cc(C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC(=O)c1ccccc1 254812993 LEKPPUPDUBFXAG-UHFFFAOYSA-N 501.524 3.522 50 10 KHGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(C)cc2C)cc1 1083901436 USNSUFURXMKOQV-HHHXNRCGSA-N 592.718 3.631 50 10 KHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743583 COGXLFJWLFQHMZ-UHFFFAOYSA-N 523.387 3.825 50 10 KHGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 10296010 MIMCMANWMSCENI-GFCCVEGCSA-N 514.829 3.994 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCC(=O)O)cc2Br)cc1 58895027 YCHBDZAFSQVJHW-WEPUMBSASA-N 523.380 3.674 50 10 KHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cc2)c1 206640579 BKLSIMJSIGNVRB-AUWJEWJLSA-N 503.540 3.504 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccccc3O)n2-c2ccccc2)cc(OC)c1OC 252608651 HMEAMPHOUKKJEG-UHFFFAOYSA-N 519.583 3.908 50 10 KHGE Cc1nn(C)cc1C=NNC(=O)CSc1nnc(-c2ccccc2Br)n1-c1ccccc1 254398171 KKRGJRPRIFXXIJ-UHFFFAOYSA-N 510.421 3.981 50 10 KHGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1cccc(NC(=O)c2ccccc2)c1)S(C)(=O)=O 254706884 GMUUOYUPKZTVCE-UHFFFAOYSA-N 508.600 3.562 50 10 KHGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCC(=O)c4ccc(Cl)cc4)c(=O)c23)C1 1860771418 VSQJGLDRCGMGFQ-UONOGXRCSA-N 501.008 3.608 50 10 KHGE C[C@H](Br)COCc1cn(-c2ccc(I)cc2Br)nn1 2278382420 JKXXQYSQFMNDIQ-QMMMGPOBSA-N 500.960 3.934 50 10 KHGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(I)ccc2O)cc1 2293615588 ACWBKMPHNGOFML-UHFFFAOYSA-N 554.388 3.984 50 10 KHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NC[C@@H]1CCCO1 2296547590 HRCRNFLLZYIRMD-VWLOTQADSA-N 531.638 3.526 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccccc3Cl)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642484 JJHDYZGLZGFCAG-WGOVGHMOSA-N 557.087 3.769 50 10 KHGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314620572 QZVAFVOMYMMWFS-UHFFFAOYSA-N 525.521 3.993 50 10 KHGE Cc1cc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl 100091605 NPWILDOJOHXHGS-UHFFFAOYSA-N 567.470 3.540 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCCCN1CCOCC1)[C@@H]2Br 100935338 DJLACTNXEGNFMQ-DQYPLSBCSA-N 531.127 3.511 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602241 LNZZYABDPLBSII-WPWMEQJKSA-N 527.896 3.834 50 10 KHGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3c4ccccc4cc4ccccc34)CC2)cc1 252623483 OSQOYLBJESVKBF-UHFFFAOYSA-N 500.624 3.758 50 10 KHGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(OC)c2OC)c1 263628629 AYDHQLJOOHOSAT-GAYNXCHWSA-N 519.554 3.651 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 2350361315 OPOJHPIBWAKZNI-XCGNWRKASA-N 505.703 3.725 50 10 KHGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCCOC)c(Br)c2)c(Br)c1 100200747 XPTJEZFXQQWRJB-UHFFFAOYSA-N 530.213 3.639 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860769962 NPYICTCPJHNMBU-NEPJUHHUSA-N 509.415 3.505 50 10 KHGE N#CC(=Cc1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568107 RKVVJEOAVRWTGS-UHFFFAOYSA-N 504.768 3.822 50 10 KHGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314618289 KTAPOUQWJMBVOK-UHFFFAOYSA-N 513.510 3.695 50 10 KHGE COc1cc(Br)c(CCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 2314807820 AGDVZJPYPDSUDN-UHFFFAOYSA-N 559.413 3.779 50 10 KHGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330724 DJYYKAQIYMDKHW-UHFFFAOYSA-N 504.480 3.968 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2370253829 KGHXCQHKUCHYTN-CVEARBPZSA-N 511.360 3.573 50 10 KHGE COc1c(C=NNC(=O)c2ccccc2[N+](=O)[O-])c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254871165 PHECRGMCIUEREO-KRWDZBQOSA-N 550.499 3.979 50 10 KHGE CCOc1cc(C=NNC(=O)CSc2nnc(C)s2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 254907425 IIDXLSNKEYAMPF-UHFFFAOYSA-N 501.546 3.615 50 10 KHGE Cc1ccc(OCC(=O)O)c(C=NNC(=O)c2cccc(F)c2NS(=O)(=O)c2ccc(Cl)s2)c1 1081159579 MXABKKYVYDHCPM-UHFFFAOYSA-N 525.967 3.877 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860771826 JADWNMSXTRICLB-NEPJUHHUSA-N 509.415 3.820 50 10 KHGE CC1(C)OC[C@H](NC(=O)c2ccc(I)c(Br)c2)[C@H]1Br 1910939301 GBZRVUIXQDVLRM-WDEREUQCSA-N 502.972 3.724 50 10 KHGE O=[N+]([O-])c1ccc(CBr)c(-n2cnc(I)c2I)c1 2056802373 XSWGUSFZBIHBSL-UHFFFAOYSA-N 533.889 3.885 50 10 KHGE CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=S)Nc4cccc(N=C=S)c4)cc3)nc2n(CCC)c1=O 25997665 OKFOOQXOTKWKJI-UHFFFAOYSA-N 620.761 3.589 50 10 KHGE CN1C(=O)/C(=N\NC(=O)COc2ccc(Br)cc2Br)c2cc(Br)ccc21 101644505 HDLUWILXBPTPMD-JWGURIENSA-N 546.013 3.850 50 10 KHGE O=C(O)COc1c(Cl)cc(/C=N/NC(=O)COc2cccc(Br)c2)cc1Br 101750828 OSDFMWYJVPAQLZ-QPSGOUHRSA-N 520.561 3.858 50 10 KHGE CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)CCSSCCNC(=O)c1ccc(N=[N+]=[N-])cc1O)C(=O)O 195771922 GXPKVLSZDUGLIV-YDPTYEFTSA-N 890.124 3.817 50 10 KHGE Cc1cccc(C)c1OCC(=O)NCC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 252625056 QBWQCOWKVDTUEY-UHFFFAOYSA-N 529.347 3.879 50 10 KHGE COc1ccc(C=NOCC(=O)NN=C2C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1OC 254752993 DDCBNTSWJVOHHB-UHFFFAOYSA-N 572.460 3.517 50 10 KHGE O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=Cc1c(O)ccc2ccccc12 254905019 KBCIJJHMLJJMAG-UHFFFAOYSA-N 504.524 3.799 50 10 KHGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1ccccc1O 1084377242 LBOAZTYIASHIAK-UHFFFAOYSA-N 502.600 3.966 50 10 KHGE O=S(=O)(NC[C@@H](Br)CBr)c1cc(Br)ccc1Br 2005149564 CKCXWLKHCZCBHO-ZETCQYMHSA-N 514.859 3.648 50 10 KHGE CC(N)=C(C#N)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 2040420604 ZJPRADUMDFYJJE-UHFFFAOYSA-N 520.018 3.803 50 10 KHGE Cc1nc(I)c(NC(=O)[C@@H](Br)C2CCCC2)c(I)n1 2121867279 ACNPUVYXTOBBME-QMMMGPOBSA-N 549.976 3.886 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@]2(C[C@H](Br)CO2)C1 2201783249 GZILLORDEBUCEN-HZMBPMFUSA-N 514.983 3.822 50 10 KHGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])c1 40657902 KXCFOVQFANOCBD-UHFFFAOYSA-N 501.297 3.825 50 10 KHGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc(Br)cc3)c(C)c21 101067263 JVBABZSHYBMONP-KOEQRZSOSA-N 513.348 3.797 50 10 KHGE COc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101341736 VWXMTFJFFUDZAN-HYARGMPZSA-N 522.529 3.585 50 10 KHGE COc1ccc(-c2cc(-c3cccc(CN(CC(=O)O)CC(=O)O)n3)nc(-c3cccc(CN(CC(=O)O)CC(=O)O)n3)c2)cc1N=C=S 150656772 LLAAIHCOOOWFFP-UHFFFAOYSA-N 686.703 3.558 50 10 KHGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)ccc1OS(=O)(=O)c1ccccc1 254704369 IQMLFDIRWDUORB-UHFFFAOYSA-N 565.633 3.568 50 10 KHGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1cccc(C(F)(F)F)c1 254749610 UVXBTODZABARGT-UHFFFAOYSA-N 506.462 3.959 50 10 KHGE CCN(CCOCCBr)C(=O)c1cc(Br)ccc1I 311713093 KGIXNXLEPJZVPV-UHFFFAOYSA-N 504.988 3.927 50 10 KHGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)ccc1OCC(=O)N(CC)CC 1865706859 HHQNBCGORGDMNZ-VWLOTQADSA-N 531.613 3.960 50 10 KHGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2132364338 HHPZQWDEJFISTQ-ZBFHGGJFSA-N 504.244 3.832 50 10 KHGE COC[C@@](C)(CCBr)NC(=O)c1ccc(Br)cc1I 2142284778 HTDVZMVMXYFMIS-CYBMUJFWSA-N 504.988 3.974 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296361549 RXROVKJLINJLQR-GXTWGEPZSA-N 514.983 3.680 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 100209335 XUOCTEJFXCAABZ-UHFFFAOYSA-N 566.474 3.765 50 10 KHGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084585277 RVGKQTNEQKSHIL-UHFFFAOYSA-N 571.637 3.852 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772746957 FZSSSTGLJFMUBE-UHFFFAOYSA-N 537.445 3.540 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c3c2CCC3)cc1 1866854440 KAFCEERWNMQTFR-LJQANCHMSA-N 516.410 3.970 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cscc1B(O)O 2268647438 PACGLCSEUBVIGX-RJYGXOMWSA-N 506.433 3.559 50 10 KHGE CCc1cc(B(O)O)ccc1NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)CC 2283960592 ZKBGFQZDUCLPFH-DNOBIOAJSA-N 500.404 3.821 50 10 KHGE Cc1cccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3ccc(I)cc3)c3ccccc32)c1 1513794 YRSQISDFIAVXOV-HPNDGRJYSA-N 538.345 3.719 50 10 KHGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3ccc(I)cc3)c3ccccc32)cc1 1513804 UBWVPPGKCMCMIP-HPNDGRJYSA-N 538.345 3.719 50 10 KHGE COc1cc(C(=O)N/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccccc2)cc(OC)c1OC 4460313 WBEGNQFTBKNBKR-PNOGMODKSA-N 517.538 3.643 50 10 KHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 12571063 QIYMSDAIZUCVET-UHFFFAOYSA-N 512.429 3.990 50 10 KHGE O=C(CCCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100098972 SKUXZYXIVICBLG-UHFFFAOYSA-N 606.639 3.584 50 10 KHGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(N/N=C/c2ccccc2OCc2cccc(Br)c2)[nH]1 253567134 JTDNTJNTPMAOJZ-HURLIOHXSA-N 560.478 3.876 50 10 KHGE COc1cc(C=NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 254505429 CPLDAHFEOXQSAP-VXKWHMMOSA-N 556.619 3.778 50 10 KHGE Cc1c(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1084391402 BNBOEAXTOFGDGJ-UHFFFAOYSA-N 582.480 3.593 50 10 KHGE CCOc1cc(C=NNC(=O)COc2ccc(OC)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720505 QBZYGSKKEBDBAS-UHFFFAOYSA-N 538.553 3.868 50 10 KHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Br)ccc2I)C[C@@H]1Br 2130822745 MURFMJWXCVOHHH-UBHAPETDSA-N 502.972 3.724 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(C)c(B(O)O)s1 2283986108 ORAOSIBBSQCHEE-CRICUBBOSA-N 520.460 3.648 50 10 KHGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1I 100053966 XVYLRUTVFGJDCO-UHFFFAOYSA-N 584.002 3.665 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869777 CHTHDNKKWPXERY-BIZUNTBRSA-N 563.607 3.991 50 10 KHGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 100869911 IXAUXFWPKIMRQL-KCSSXMTESA-N 579.606 3.609 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Cl)cc1Br 101832789 KHEAFXGPEROFRC-MHWRWJLKSA-N 535.778 3.861 50 10 KHGE Cc1cc(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3ccc(SC#N)cc3)C2=O)ccc1Br 109186531 WMNCTJNLCNIZFD-OQLLNIDSSA-N 500.334 3.619 50 10 KHGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 215667408 UZEOVNLCUPRZCB-PDIRCZQPSA-N 586.682 3.591 50 10 KHGE biogenic N#CC1=C(N)n2c(sc(=Cc3ccc(Br)s3)c2=O)=C(C#N)[C@@H]1c1ccc(Br)s1 252674757 SMAUXPCWRLZWJZ-OAHLLOKOSA-N 552.298 3.509 50 10 KHGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1 254432566 QKACIEYRZLTKLM-UHFFFAOYSA-N 503.500 3.993 50 10 KHGE O=C(NN=Cc1ccccc1C(=O)O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 254522007 CCLBUZFDYVUDKM-UHFFFAOYSA-N 590.686 3.873 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084591191 IDEAKSCOKOQUDU-UHFFFAOYSA-N 526.640 3.721 50 10 KHGE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349640529 FHYPBTRZJMYDPZ-KSFYIVLOSA-N 507.719 3.973 50 10 KHGE COc1cc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc(OC)c1OC 12569876 LOMBZXAYRSGILV-UHFFFAOYSA-N 516.403 3.514 50 10 KHGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 100113025 DSBKZAPEBDPOOM-UHFFFAOYSA-N 553.468 3.690 50 10 KHGE CC(C)COc1ccc(C(=O)NNC(=O)C2CCC(C(=O)NNC(=O)c3ccc(OCC(C)C)cc3)CC2)cc1 100139316 OQVPPEXAJABARA-UHFFFAOYSA-N 552.672 3.785 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)c(C(C)C)cc1Br 104803620 HVZDERFZHFGPHU-UHFFFAOYSA-N 535.464 3.701 50 10 KHGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 254391145 LFVRJDFHEBEIKO-UHFFFAOYSA-N 533.581 3.982 50 10 KHGE COCCNC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084166240 MQZQPEKCXUZFGN-UHFFFAOYSA-N 601.896 3.844 50 10 KHGE CCOc1cc(OCC)cc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 1860770517 LQEUYVPIXGVDQP-UHFFFAOYSA-N 506.584 3.692 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)ccc1Br 12502752 CFIHFWWZMLPFFE-UHFFFAOYSA-N 512.429 3.990 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 100306463 OEUXPOJISMOCDF-QGZVFWFLSA-N 542.224 3.918 50 10 KHGE O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc(N2C(=O)c3ccccc3C2=O)c1 105260379 GZGIIECVCURSDR-UHFFFAOYSA-N 581.501 3.817 50 10 KHGE O=C(N[C@H]1CCOC[C@H]1CBr)c1cc(Br)ccc1I 1878683577 CPXCVEJUAIRAAH-PELKAZGASA-N 502.972 3.584 50 10 KHGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1cc(I)ccc1Br 2279404795 DBKVAHSGTFHBRK-ONGXEEELSA-N 516.999 3.974 50 10 KHGE COc1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 14006715 OLBLTUZIHKVYPD-LBPRGKRZSA-N 516.186 3.522 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611520 KGGFSFDOEHBVKZ-ZXVVBBHZSA-N 539.386 3.661 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O 252589928 AOMMSALEIUWFHS-CQSZACIVSA-N 607.434 3.926 50 10 KHGE Cc1ccc(CN2C(=O)C(=NNC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)c3ccccc32)cc1 254501902 YXMDMPARVVKSFM-GOSISDBHSA-N 525.634 3.959 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2c(O)ccc3ccccc23)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 725440320 DGKUJLBHSKCYIB-UHFFFAOYSA-N 549.605 3.917 50 10 KHGE CCOC(=O)COc1ccc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1I 725443156 LYRCUCFXKFJWKK-FQEVSTJZSA-N 554.381 3.596 50 10 KHGE COC1CC(CBr)(NC(=O)c2ccc(I)c(Br)c2)C1 1899855120 RYHWSMJOEAWVDC-UHFFFAOYSA-N 502.972 3.726 50 10 KHGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1914341125 HGMSDWLKSOVIPT-KRWDZBQOSA-N 507.450 3.924 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185308224 DBVAESTYPKPDIG-OASPWFOLSA-N 514.983 3.821 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2CCO[C@@]2(CBr)C1 2239886043 MQUAKJDATGXYJT-YGRLFVJLSA-N 514.983 3.680 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OCC)c2)cc1 58894961 PBAIJVPOCLJDDY-YCCHBACSSA-N 523.380 3.674 50 10 KHGE CCO[Si](CCCNC(=O)N[C@H]1N=C(c2ccccc2F)c2ccccc2N(C)C1=O)(OCC)OCC 1887620387 MZKMYDDFSKBDLW-XMMPIXPASA-N 530.673 3.703 50 10 KHGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N1CCN(Cc2ccccc2)CC1 2123254855 QOLGOCARPSZVIF-UHFFFAOYSA-N 506.235 3.990 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1(CBr)CC(F)(F)C1 2364196798 FAXDGGNECGGMFZ-UHFFFAOYSA-N 507.397 3.573 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668268 XGGHVFSWANRACR-UHFFFAOYSA-N 521.408 3.919 50 10 KHGE Cc1cccc(OCC(=O)NCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 15979649 RIYGJVYULNCNGK-UHFFFAOYSA-N 510.388 3.982 50 10 KHGE aggregator COc1ccc(OC)c(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])c1 40619484 TWDRNQDUFYNPBQ-UHFFFAOYSA-N 509.306 3.975 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1I 100165367 DFARTXSCPZVVJI-UHFFFAOYSA-N 575.428 3.871 50 10 KHGE O=C(CCCCCCCC(=O)NNC(=O)c1ccccc1I)NNC(=O)c1ccccc1I 150353202 OCVPEQCLIPWGMI-UHFFFAOYSA-N 676.293 3.849 50 10 KHGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 254289345 KKHBCPANZRZBGW-UHFFFAOYSA-N 531.590 3.805 50 10 KHGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 725428132 PSDHVYWWLWFNFP-FQEVSTJZSA-N 537.407 3.762 50 10 KHGE O=C(O)COc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1Cl 1084522464 VFQXNIBVVDXWGZ-UHFFFAOYSA-N 520.561 3.858 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CCO[C@H](CCBr)C1 2142288047 IENFKDSRCALQEJ-SNVBAGLBSA-N 502.972 3.680 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1O 2313545800 GRSZUGREEFTXPU-UHFFFAOYSA-N 503.340 3.651 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2355687828 RTNXDZZAATWQLT-RLCGTCKNSA-N 514.983 3.536 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(C)(=O)=O)cc1 1084333657 PYHNBWBRXWCVMO-UHFFFAOYSA-N 533.448 3.782 50 10 KHGE COc1ccc(-c2noc(CNC(=O)CC(C)=NNC(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1OC 1084367618 WLHZWQPCYNEDJK-UHFFFAOYSA-N 523.590 3.629 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084529043 LZMQJUQMKXYPDU-UHFFFAOYSA-N 559.442 3.762 50 10 KHGE O=C(C[C@H](C(=O)NNc1ccccc1)[C@@H](CC(=O)NNc1ccccc1)C(=O)NNc1ccccc1)NNc1ccccc1 1616047117 UVXJTUYNAVRYRW-HNRBIFIRSA-N 594.676 3.572 50 10 KHGE O=C(CC1CCCCC1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859006469 BITVIUXBVSGWSG-UHFFFAOYSA-N 507.540 3.840 50 10 KHGE Cc1ccc(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c(C(C)(C)C)c1 1865851890 JJQAYTMMOIZJGR-UHFFFAOYSA-N 504.612 3.957 50 10 KHGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OCC 58891537 URPYUXDXDKZWDN-ILRHRSLTSA-N 507.381 3.754 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccncc1)[C@@H]2Br 100922376 OQDJDDVLQRSABS-RLCCDNCMSA-N 524.051 3.528 50 10 KHGE Cc1nc(I)c(I)n1-c1cccc(CBr)n1 1985308152 VMBQTVJTIOAEKO-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1cc(Br)ccc1I 2101337940 SIMPNGAUZHYYTO-SCZZXKLOSA-N 502.972 3.584 50 10 KHGE O=C(C=Cc1cccc(F)c1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 2330950575 ADSXULIFMQQICJ-UHFFFAOYSA-N 531.493 3.722 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 2343819374 FKLCRPJYNMMSAX-OWJWWREXSA-N 526.851 3.651 50 10 KHGE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2350358851 ZEOMXQKYWUQVBE-OPAMFIHVSA-N 507.719 3.973 50 10 KHGE O=C(NNC(=S)NC(=O)c1ccccc1Br)c1ccc(NC(=O)C2CCCCC2)cc1 12500924 CNOOTQGZOWPXOF-UHFFFAOYSA-N 503.422 3.917 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100144629 IEVLVGYCSQPZPN-UHFFFAOYSA-N 545.253 3.715 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 101405939 GHDOGMUHSPKXHT-GFHXCNCHSA-N 559.556 3.780 50 10 KHGE Cc1c(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1 252617120 KMRVGHPVDXMKJI-UHFFFAOYSA-N 508.991 3.575 50 10 KHGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc21 254478010 FNRLDMOLJSBWIB-UHFFFAOYSA-N 515.570 3.543 50 10 KHGE O=C(CNc1cccc(N2CCCC2=O)c1)NN=Cc1cc(Br)c(O)c(Br)c1 1084057793 ZTTDKRBQSQOBAJ-UHFFFAOYSA-N 510.186 3.606 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(C)cc2)cc1Br 1084360326 XDIFXVPMLCKQSO-UHFFFAOYSA-N 646.520 3.857 50 10 KHGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Br)cc4)c(C)c32)c1 1772750270 YKQHQUJVWUBVFW-UHFFFAOYSA-N 539.386 3.904 50 10 KHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3cccc([N+](=O)[O-])c3)cc2)c1 2313860579 CKOQHQWMZDYASL-UHFFFAOYSA-N 503.540 3.504 50 10 KHGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)oc12 33515850 ZOQCMQCWASLNJG-VOMPUTFMSA-N 502.552 3.504 50 10 KHGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101341045 QDTXVBHEABCEEW-OEAKJJBVSA-N 511.494 3.603 50 10 KHGE CCOc1cc(C=NNC(=O)Cc2nnc(N)s2)cc(Br)c1OCc1ccccc1F 252619431 LPENSGUKCYASPR-UHFFFAOYSA-N 508.373 3.692 50 10 KHGE CCOc1cccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)c1O 254492249 HBZQMZOLXAETST-UHFFFAOYSA-N 504.568 3.741 50 10 KHGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 1084062029 BEJRPTIWAIMIGP-UHFFFAOYSA-N 530.400 3.566 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2c(F)cccc2Cl)cc1OC 1084187038 MJPVMSBQGZCXTJ-UHFFFAOYSA-N 534.009 3.880 50 10 KHGE BrC[C@]12CCCO[C@@H]1CN(c1ncc(I)cc1Br)C2 2230625567 ORUZUPCKKSBMPI-YPMHNXCESA-N 501.988 3.829 50 10 KHGE CCOC(=O)c1sc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)c(SC#N)c1C 8927841 MZOPUMLYQBXAPG-MRXNPFEDSA-N 509.631 3.607 50 10 KHGE COc1ccc(N(CC(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 100302946 LRHANEBPIOQSEM-ITYLOYPMSA-N 526.571 3.656 50 10 KHGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214251196 UINMYQMKUVELHW-IWIPYMOSSA-N 529.622 3.790 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 1084039037 ZXYJYXRUJXTVQO-UHFFFAOYSA-N 567.664 3.661 50 10 KHGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)cc(OC)c1O 1084258768 ZUEOKYPYPYSQEI-UHFFFAOYSA-N 502.159 3.772 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCCN1CCOCC1 1865687261 NFTDWACXBWOGAM-VWLOTQADSA-N 522.005 3.772 50 10 KHGE CN1CCN(C(=O)c2cc(I)ccc2Br)[C@@H](CCBr)C1 2202835909 ZUGYZJJXUREHAN-NSHDSACASA-N 516.015 3.595 50 10 KHGE COc1ccc(CBr)c(-n2c(C)nc(I)c2I)n1 2223444020 STHWRSCEMIUXAA-UHFFFAOYSA-N 533.933 3.688 50 10 KHGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1cc(I)ccc1Br 2279404794 DBKVAHSGTFHBRK-MWLCHTKSSA-N 516.999 3.974 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2285032697 WZOJRXJCFIMCLS-WXTAPIANSA-N 520.460 3.901 50 10 KHGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 2314476369 NMAGBQRUEIWHQY-RUZDIDTESA-N 595.747 3.560 50 10 KHGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 12570289 WZEZHMNAKLLLFS-UHFFFAOYSA-N 509.415 3.837 50 10 KHGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)c(Br)c1 12571153 RASNXKGODDWWJR-UHFFFAOYSA-N 508.438 3.669 50 10 KHGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869877 MJZRPMHIAAUTBH-KBVAKVRCSA-N 594.577 3.509 50 10 KHGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2Br)c(OC)c1 101683930 JRHYUSNTNGNDLR-OQLLNIDSSA-N 568.218 3.874 50 10 KHGE C#CCOc1c(Br)cc(C=NNC(=O)NN=Cc2cc(Br)c(OCC#C)c(OC)c2)cc1OC 252628479 SRDGKBQTDVSYAW-UHFFFAOYSA-N 592.244 3.920 50 10 KHGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCc1cccc(Br)c1 256028577 WCJPJYBGHRLANA-UHFFFAOYSA-N 508.423 3.713 50 10 KHGE O=C(NC[C@]1(CBr)CCCOC1)c1cc(Br)ccc1I 700913950 IEOQNKVZCNHSIU-CQSZACIVSA-N 516.999 3.975 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(SC)cc2)Cc2ccccc2)cc1OC 725406028 XECAEIFBXMJSSU-UHFFFAOYSA-N 513.641 3.767 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(C)(=O)=O)c(OC)c1 1084649760 POXGRSDVLPPZLO-UHFFFAOYSA-N 563.474 3.790 50 10 KHGE O=C(O)c1ccccc1[C@@H]1c2cc([N+](=O)[O-])c(O)c(Br)c2O[C@@H]2[C@H](Br)C(=O)[C@@H]([N+](=O)[O-])C[C@H]21 1307310477 BWCXYYMKYMIDAC-DPUZKOMTSA-N 586.145 3.652 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCNC(=O)c3ccccc3)cc2OC)cc1OC 1772720809 YSYMXOXQTVGZGG-UHFFFAOYSA-N 519.554 3.592 50 10 KHGE CCOc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1cccc(Cl)c1 1873793905 LYTSHZJVDJMWMI-CCVNUDIWSA-N 506.946 3.884 50 10 KHGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1cc(Br)ccc1I 2101337939 SIMPNGAUZHYYTO-PSASIEDQSA-N 502.972 3.584 50 10 KHGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)ccc1OC(=O)N1CCOCC1 9489998 NSKHRLCSYITXRT-QFIPXVFZSA-N 517.542 3.533 50 10 KHGE CCc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 14039908 QPAFCBZAJLBMLR-LBPRGKRZSA-N 500.187 3.768 50 10 KHGE CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1 20353704 UHBMQZYVOLSEJB-FOKLQQMPSA-N 500.309 3.600 50 10 KHGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207324 XJJUUZSKSACGRZ-UHFFFAOYSA-N 542.455 3.957 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869724 KBIRZFZNQJJABI-HNSNBQBZSA-N 593.633 3.999 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C(\C)c1ccc(N)cc1 105151231 KHFLBOJQQGZVCY-CVKSISIWSA-N 561.453 3.896 50 10 KHGE O=C(CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)NNc1ccccn1 301362980 OQNZHWGKYUDXDU-QFIPXVFZSA-N 506.584 3.640 50 10 KHGE COC[C@](C)(CBr)N(C)C(=O)c1ccc(I)c(Br)c1 721508160 HQJLCARVIMXZBT-ZDUSSCGKSA-N 504.988 3.926 50 10 KHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCC(=O)c4ccc(Cl)cc4)c(=O)c23)cc1 1860770316 CHYWURGXTUNHBA-UHFFFAOYSA-N 508.987 3.897 50 10 KHGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865687492 SHZVZFMZGATVNE-AREMUKBSSA-N 545.640 3.906 50 10 KHGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1ccc(I)c(Br)c1 2279416099 VKNIJRRTVOFGQK-GXSJLCMTSA-N 516.999 3.974 50 10 KHGE CN(CC[C@@H](Br)c1cccs1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2366240461 IMFVZZJOIQVJIZ-OXQOHEQNSA-N 517.442 3.860 50 10 KHGE CCOC(=O)c1sc(N/N=C2\C(=O)N(c3ccccc3)N=C2NC(=O)CCCCl)c(C(=O)OCC)c1C 96022403 RXSDCKTXUFDJEF-IMRQLAEWSA-N 548.021 3.673 50 10 KHGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c1 100059783 JCFHLJFWLOUOGW-UHFFFAOYSA-N 554.688 3.863 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3OCC(=O)O)nnc2-c2ccccc2)cc1 254312220 HFXHBTUYPPNLBS-UHFFFAOYSA-N 517.567 3.649 50 10 KHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1ccc(I)c(Br)c1 721578359 OLROUHZMLZSNKH-LLVKDONJSA-N 516.015 3.643 50 10 KHGE CCN1C(=O)C(=NNC(=O)CCCCCCCCC(=O)NN=C2C(=O)N(CC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720901 WSJJSUBBAMLJEH-UHFFFAOYSA-N 604.708 3.898 50 10 KHGE O=C(NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1)OCc1ccccc1 1858960798 PGIQZGKKMMVYIJ-UHFFFAOYSA-N 503.464 3.638 50 10 KHGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)CCc4ccccc4Br)c(=O)c23)C1 1860770981 FJCUUFFQEQBZMC-KBPBESRZSA-N 517.449 3.687 50 10 KHGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1ccc(Br)cc1I 2207261769 NAPGCMVFVYQGAI-WDEREUQCSA-N 516.015 3.593 50 10 KHGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1cc(I)ccc1Br 2279404793 DBKVAHSGTFHBRK-KOLCDFICSA-N 516.999 3.974 50 10 KHGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2N)cc1 40759490 ZRZIQCBLVUYTJM-UHFFFAOYSA-N 505.604 3.743 50 10 KHGE O=C(COc1ccccc1)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207303 PGBJZDJQJDELFK-UHFFFAOYSA-N 528.428 3.785 50 10 KHGE COc1ccc(CC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 254741557 AFYPVMRVOIHTHV-UHFFFAOYSA-N 508.527 3.642 50 10 KHGE O=C(NCc1ccco1)C(=O)NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084146190 UBTGCXLQHRDVBJ-UHFFFAOYSA-N 555.012 3.684 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 101341482 VMPLXHHEVBYBBW-KOEQRZSOSA-N 510.550 3.711 50 10 KHGE CC1=C(Br)C(=O)[C@@](C)(Br)[C@H](Br)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1 102939775 QUVPCCJRVQBBMH-OASCQKGGSA-N 559.030 3.893 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104767476 VTGOQHBLGCRUGB-DHRITJCHSA-N 534.514 3.510 50 10 KHGE CCOc1cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 254715930 WAKKRFUBZNVFGZ-UHFFFAOYSA-N 533.541 3.823 50 10 KHGE Cc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)N/N=C\c2cccc(F)c2O[C@@H](C)C(=O)O)c1 675030836 RWHKXGQZZBXRNU-PUMVZNGMSA-N 505.549 3.612 50 10 KHGE COc1cccc(/C=N\NC(=O)c2cccc(Cl)c2NS(=O)(=O)c2cccs2)c1O[C@@H](C)C(=O)O 675031440 KHHOTSHGOUAATM-RTNLCPHNSA-N 538.003 3.827 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc([N+](=O)[O-])cc1 1083945384 HOKXVGAEFBQTFI-UHFFFAOYSA-N 500.964 3.632 50 10 KHGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccccc1Cl 1083967846 JRIZXRMRRKBJJX-UHFFFAOYSA-N 549.436 3.927 50 10 KHGE O=C(NN=Cc1cc(I)c(O)cc1O)c1cc2cc(Br)ccc2o1 1084001147 LRNCKMJWQTWEDF-UHFFFAOYSA-N 501.074 3.975 50 10 KHGE Cc1ccc(COc2c(I)cc(C=NNC(=O)CN3CCOCC3)cc2I)cc1 1084270189 GFILEQHTIQJQQJ-UHFFFAOYSA-N 619.241 3.566 50 10 KHGE COc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1OC 1084576270 OWFXRLGMCCIGME-UHFFFAOYSA-N 562.442 3.821 50 10 KHGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865686819 BOFLABZIDAMLST-QHCPKHFHSA-N 571.556 3.837 50 10 KHGE CC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867249462 AAMDCLWQNQEHCP-MSOLQXFVSA-N 514.409 3.591 50 10 KHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(Cl)cc1Br 2314795977 KHEAFXGPEROFRC-UHFFFAOYSA-N 535.778 3.861 50 10 KHGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)CCc1ccccc1Cl 10460410 LYBHXMCYOFZNOO-UHFFFAOYSA-N 505.221 3.789 50 10 KHGE Cc1cc(OCC(=O)NNC(=O)c2ccc(C)c(I)c2)ccc1Br 12493044 IPKGKUHEPSYBMQ-UHFFFAOYSA-N 503.134 3.511 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 100087185 QPRBTRFHRCHADZ-UHFFFAOYSA-N 521.220 3.544 50 10 KHGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100200779 WXFUYSBETPIDDP-UHFFFAOYSA-N 536.604 3.730 50 10 KHGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 101013615 NMAGBQRUEIWHQY-IVNHJSRESA-N 595.747 3.560 50 10 KHGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 216942108 MDDSMCPDNURHQW-ATJXCDBQSA-N 502.596 3.686 50 10 KHGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)cc(I)c1O 1083971865 FTLDNAQNHSHEFC-OAHLLOKOSA-N 503.134 3.723 50 10 KHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)[C@@H](Cc4ccccc4)c4ccccc4)c(=O)c23)C1 1865851899 JRGMWGYHCQBBEZ-AVRDEDQJSA-N 500.624 3.757 50 10 KHGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1915300160 MESACANBMARAPI-OAQYLSRUSA-N 507.450 3.924 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2COC[C@]2(CBr)C1 2234559258 NZPJTCXNYNNFDC-HZMBPMFUSA-N 514.983 3.537 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1ccccc1O 58990414 LBOAZTYIASHIAK-OGLMXYFKSA-N 502.600 3.966 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O 214432157 NEYKEYHHMYEYQU-XYGWBWBKSA-N 528.540 3.850 50 10 KHGE CCOC(=O)[C@H](Br)Cc1cc(I)cc(I)c1 690365217 VWTSWNYVBKOPCI-SNVBAGLBSA-N 508.919 3.765 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1858673973 AMVLXJGPVSTKLC-UHFFFAOYSA-N 511.541 3.608 50 10 KHGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8454012 AYVCHEXKUHANMY-UHFFFAOYSA-N 508.443 3.893 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccccc1I 100055238 RFKHGDGLXGJZGQ-UHFFFAOYSA-N 568.003 3.965 50 10 KHGE O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 100553348 DNRGQLUHXNONNS-FOKLQQMPSA-N 528.275 3.987 50 10 KHGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(OC)c2OC)c1 263628630 AYDHQLJOOHOSAT-KPVCSSHASA-N 519.554 3.651 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 1083940671 PUZRBCYRALDGFM-UHFFFAOYSA-N 516.963 3.993 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccc(OC(C)=O)cc1)c1ccccc1 1084264478 RCJMBPCHCACSPR-UHFFFAOYSA-N 560.426 3.729 50 10 KHGE Cc1cccc(Cl)c1OCc1ccc(C=NNc2nc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)o1 1084433008 LHDQCOVKXJYJOP-CQSZACIVSA-N 532.026 3.813 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747737 QINBHWWNFFVOHQ-UHFFFAOYSA-N 544.793 3.944 50 10 KHGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123210976 SAJMQBKAXYPQLH-GASCZTMLSA-N 504.244 3.690 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2COC[C@@]2(CBr)C1 2234568006 QXAWAVTYVVOIOK-LKFCYVNXSA-N 514.983 3.537 50 10 KHGE COc1cc(C=NNC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccccc1Br 2297710285 AFYOSBAMCYWNBU-UHFFFAOYSA-N 528.334 3.696 50 10 KHGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C(C)=C(C#N)C1=O 2314618386 MRORNFDIOSWVIC-UHFFFAOYSA-N 510.550 3.939 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2371394195 PBXUHWUJJKRVIH-YGKZAACZSA-N 519.730 3.973 50 10 KHGE CCOc1ccc(NCc2nnc(SCC(=O)NNC(=O)c3ccc(F)cc3)n2-c2ccccc2)cc1 20922877 FUEPORSFMKEJEK-UHFFFAOYSA-N 520.590 3.971 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1I 100079806 QAFNLQMPFZOCLY-SECBINFHSA-N 568.220 3.710 50 10 KHGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 101336204 UHHKNDATSOIADV-ZTKZIYFRSA-N 629.739 3.968 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CCOC[C@@H]1CCBr 694883139 XTCARLKFRJNKSO-JTQLQIEISA-N 502.972 3.680 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Cl)c2)Cc2ccccc2)cc1OC 1083906888 GXSDAOBOYFYWEF-UHFFFAOYSA-N 501.992 3.698 50 10 KHGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCC#N)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084450877 FQMRUDRGGCHTFR-UHFFFAOYSA-N 571.999 3.813 50 10 KHGE Cc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858671351 MOWINCPXDOVCIB-UHFFFAOYSA-N 510.597 3.774 50 10 KHGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1cc(I)ccc1Br 2178908104 VAPKOUPUPHZHPC-MWLCHTKSSA-N 516.015 3.593 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCC12CN(C(=O)OC(C)(C)C)C2 2349642909 RDTCUFSZUJBBPG-JOCHJYFZSA-N 505.703 3.727 50 10 KHGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)CCCO)(c5ccccc54)[C@H]3C2=O)c(C)c1 59382329 MFZODGBSOGQXHA-CBWSIATMSA-N 507.590 3.729 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100228361 NHFPRVKWWRBLDP-UHFFFAOYSA-N 551.644 3.588 50 10 KHGE O=C(NCCCCI)c1cc(Br)ccc1I 232460472 UCZKZPNZYQBXIT-UHFFFAOYSA-N 507.935 3.999 50 10 KHGE Cn1ncc([C@H](Br)c2cc3c(cc2Br)NC(=O)C3)c1I 381963857 ZROAXMPKYPDZTC-GFCCVEGCSA-N 510.955 3.766 50 10 KHGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)cc(OC)c1OC 1084398408 BFTDUHBGLTWXRZ-UHFFFAOYSA-N 502.159 3.767 50 10 KHGE COc1cccc(C(=O)NN=Cc2cc(I)c(OC)c(I)c2)c1 1084574311 AAAFLDWYNVAFAX-UHFFFAOYSA-N 536.107 3.677 50 10 KHGE O=C(CCCOc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859004983 CKAGQAVGUWEYFA-UHFFFAOYSA-N 527.555 3.590 50 10 KHGE O=C(N[C@@H](C[S@](=O)C[C@H]1C[C@@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877479465 VYLPSXAFSPGXBB-OQOUEFEFSA-N 506.418 3.901 50 10 KHGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1cc(Br)ccc1I 2178906220 IXNVMDAPIKZMKS-GHMZBOCLSA-N 516.015 3.593 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(B(O)O)cc1C 2283963360 LFCAMDGOYPOZDL-QUGAMOGWSA-N 520.460 3.648 50 10 KHGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1 2331122837 RJQPVYWWKJZDDX-UHFFFAOYSA-N 513.963 3.502 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2361446478 MXZZBPPIADAWAR-BBRMVZONSA-N 511.360 3.573 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br 13979659 FTYCWPGAPYTCNF-UHFFFAOYSA-N 506.578 3.779 50 10 KHGE O=C(Oc1cccc(/C=N/NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c1)c1cccc(Br)c1 36046917 WUOYZBKFVWBCHY-SLDMEDOSSA-N 506.356 3.648 50 10 KHGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 205964153 GAJQUNNKIKUNBN-KOEQRZSOSA-N 546.580 3.689 50 10 KHGE O=C(CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1)NNC(=O)c1ccc(F)cc1 1083900784 ZBGKJWKHJFOLTI-UHFFFAOYSA-N 505.535 3.735 50 10 KHGE COC(=O)COc1cccc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 1084177871 LWWFMGTXSKAJCF-HHHXNRCGSA-N 503.580 3.777 50 10 KHGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 1084530479 ZTSHJLXATVVYOZ-UHFFFAOYSA-N 517.966 3.986 50 10 KHGE CC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867249465 AAMDCLWQNQEHCP-ZWKOTPCHSA-N 514.409 3.591 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2268644716 NEKXIBJVSQDLHA-IVCQMTBJSA-N 506.795 3.912 50 10 KHGE O=C(NN=Cc1cc(I)ccc1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293128253 OTHLBYHBBVQCJV-UHFFFAOYSA-N 555.328 3.647 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2314753244 PANIIVMZJDDXGU-UHFFFAOYSA-N 506.427 3.937 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2349647999 VMMZTKURINOVHN-BRLLKYFNSA-N 505.703 3.867 50 10 KHGE CC(C)CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623235 XFHFBVKERTXFSG-LJQANCHMSA-N 502.409 3.684 50 10 KHGE O=C(COc1cccc2ccccc12)NNC(=O)c1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1 100059757 HJSAPAGXGLMKIS-UHFFFAOYSA-N 562.582 3.673 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100079878 LCBCXIABXJPZQL-SECBINFHSA-N 521.220 3.868 50 10 KHGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 101492954 VUSMPPIQADAXCN-UHFFFAOYSA-N 541.149 3.968 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1 254397193 AJZUCQQIUSSILO-UHFFFAOYSA-N 579.606 3.609 50 10 KHGE Cc1ccc(OCC(=O)O)c(/C=N\NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2cccs2)c1 675029513 AITRITDSZPVJCS-KSEXSDGBSA-N 507.977 3.738 50 10 KHGE N#CCOc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084565298 VNHPYZQRTDPVKC-QGZVFWFLSA-N 589.171 3.762 50 10 KHGE O=C(Cc1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858956561 VWSTWBQFBCHTLQ-UHFFFAOYSA-N 521.910 3.724 50 10 KHGE O=C(NC[C@]1(CBr)CCCO1)c1cc(Br)ccc1I 1879603544 CQNRQZZWKMBJLO-CYBMUJFWSA-N 502.972 3.728 50 10 KHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 2140596193 VOPDEBLRWWGZAR-OAQYLSRUSA-N 538.508 3.981 50 10 KHGE O=C(c1ccc(Br)cc1I)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2207262112 PIBSDFWXRCHLIW-BIMULSAOSA-N 514.983 3.821 50 10 KHGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)n1-c1ccc(Br)cc1 2297486606 BGGUPIUSBUZEGH-UHFFFAOYSA-N 557.426 3.593 50 10 KHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 100233517 TXMYPQGUGPDIPM-UHFFFAOYSA-N 538.464 3.702 50 10 KHGE Cc1c(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 102852509 QVHRLWVUGZJEML-MNDPQUGUSA-N 536.523 3.969 50 10 KHGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1 252642026 ZINHOJZZOCHJTK-UHFFFAOYSA-N 639.052 3.942 50 10 KHGE CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Oc2ccc(Oc3ccccc3)cc2)O[C@H]1CI 504285782 WMDFAFFCJRGMPH-QOXFPCGXSA-N 584.359 3.813 50 10 KHGE biogenic Cc1cc(C=NNC(=O)COc2ccccc2I)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1083887306 MCPDXEUBINSOIJ-UHFFFAOYSA-N 561.332 3.624 50 10 KHGE CC1(C)[C@@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1CC(=O)NN=Cc1ccco1 1565517279 AARCTNYOLASQTF-JOCHJYFZSA-N 502.616 3.638 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743864 MLJPTHNSXKUADT-UHFFFAOYSA-N 539.386 3.661 50 10 KHGE CC(C)(NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)C(=O)Nc1ccc(SC#N)cc1 1866621622 BSBHEKDQCMARTJ-UHFFFAOYSA-N 507.037 3.990 50 10 KHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142285280 NSCIMGRAWSTFEE-ZJUUUORDSA-N 502.972 3.678 50 10 KHGE CCC(CBr)(CBr)NC(=O)c1c(Br)c(Br)nn1C 2316833341 ZGFUZXYBRDEONP-UHFFFAOYSA-N 510.850 3.614 50 10 KHGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc(Cl)cc1Br 14016946 VJNQWLJLFYSWLH-UHFFFAOYSA-N 511.800 3.975 50 10 KHGE COc1ccc(CCNC(=O)c2cc3cccc(OC)c3o/c2=N\NC(=O)c2cccc(F)c2)cc1OC 20615216 JWSFFADRJRDYCY-BLCKFSMSSA-N 519.529 3.816 50 10 KHGE biogenic COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)cc(OC)c1O 66200734 ZUEOKYPYPYSQEI-ODCIPOBUSA-N 502.159 3.772 50 10 KHGE COc1ccc2oc(=O)c(C(=O)Oc3ccc(/C=C(/C#N)C(=O)NCc4ccco4)cc3OC)cc2c1 206992176 WULZDPUDTKXVRJ-ZDLGFXPLSA-N 500.463 3.846 50 10 KHGE C[C@@H](Oc1c(F)cccc1/C=N\NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccs1)C(=O)O 675029538 AQNLWCWDWHCYBD-SKBUGYKVSA-N 525.967 3.957 50 10 KHGE O=C(C[C@@H](C(=O)NNc1ccccc1)[C@@H](CC(=O)NNc1ccccc1)C(=O)NNc1ccccc1)NNc1ccccc1 1616047121 UVXJTUYNAVRYRW-VSGBNLITSA-N 594.676 3.572 50 10 KHGE N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(I)cc1 101852587 HECZGQWPFQOTHG-KAMYIIQDSA-N 519.320 3.744 50 10 KHGE CCN(CC)c1ccc(/C=C2\CCC(C=NNC(=O)Cn3nnc(-c4ccccc4)n3)=C2N2CCOCC2)cc1 254450921 PPYLKIBLDJRSGP-VKQLSVNBSA-N 540.672 3.752 50 10 KHGE COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2O)cc1OC 254708824 YSSVUPDGWGZLIN-UHFFFAOYSA-N 524.581 3.994 50 10 KHGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccccc2OCc2cccc(Br)c2)n1 1084182460 JTDNTJNTPMAOJZ-OAHLLOKOSA-N 560.478 3.876 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772751491 SELOIULFBIFQPX-UHFFFAOYSA-N 506.544 3.598 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1scc(C)c1B(O)O 2283971696 KFUUTCNWSWGDEH-QLXKLKPCSA-N 520.460 3.648 50 10 KHGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(N3CCN(c4ccccc4)CC3)nc12 2296731233 HPNIPCXIPBUURB-UHFFFAOYSA-N 518.621 3.595 50 10 KHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1Br 14660476 MTXDYXWUFVULNM-UHFFFAOYSA-N 515.227 3.948 50 10 KHGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 14834029 UIARZALZVSYIMH-FPYGCLRLSA-N 503.205 3.870 50 10 KHGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1ccccc1 1084111268 ZFSMXHGEJIZTCM-UHFFFAOYSA-N 503.422 3.773 50 10 KHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc([N+](=O)[O-])cc1 1084297499 PCVRXTRQFBLVMK-UHFFFAOYSA-N 531.388 3.699 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1ccccc1O 100082586 JPZZCANCYQVGME-UHFFFAOYSA-N 553.232 3.785 50 10 KHGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1I 100177605 NHDWPGFHTVFZKR-VIFPVBQESA-N 553.578 3.944 50 10 KHGE COc1cc(OC)c(OC)cc1C=NNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252610220 HZIULXVBRZTZDX-CGVQZEPTSA-N 504.499 3.542 50 10 KHGE Cc1cccc(COc2ccc(C=NNC(=O)c3nnn(-c4nonc4N)c3COc3ccc(F)cc3)cc2)c1 254815403 SOLWWSVYXLDYHK-UHFFFAOYSA-N 542.531 3.602 50 10 KHGE Cc1ccc(N2C(=O)[C@H](C=NNC(=O)c3cc4cc(Br)ccc4o3)C(=O)NC2=S)cc1C 1083924620 MSWOPKNTAHUORX-MRXNPFEDSA-N 513.373 3.592 50 10 KHGE CCOC(=O)COc1c(I)cc(C=NNC(=O)c2ccc(OCC)cc2)cc1OCC 1084461372 OTDQBDDVGZIZMC-UHFFFAOYSA-N 540.354 3.794 50 10 KHGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@@H]1C[C@H]1Br 1897190776 ZQYXBVVQCIRCDA-DLPLYFIVSA-N 536.444 3.955 50 10 KHGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2314736951 DDMQBUFRZDTPHH-UHFFFAOYSA-N 502.439 3.954 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869718 YVFWTQFVSGFPAJ-ZCTHSVRISA-N 533.581 3.982 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1083864665 CINPVNKGYSERBN-UHFFFAOYSA-N 523.611 3.923 50 10 KHGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)cc(I)c1O 1083971864 FTLDNAQNHSHEFC-HNNXBMFYSA-N 503.134 3.723 50 10 KHGE CC(=NNC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc2c(c1)OCO2 1084268804 XRMNEKQKVWRIGH-UHFFFAOYSA-N 517.409 3.563 50 10 KHGE CC(=O)Nc1ncnc2c1ncn2[C@H]1O[C@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]2[C@@H]1O 1857790280 ZULOPXIJTCCZDJ-FVLCUVFVSA-N 551.793 3.999 50 10 KHGE CN1CCC[C@H]([C@@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2089530236 FLBCZJGKGASMKS-NEPJUHHUSA-N 523.028 3.914 50 10 KHGE C[C@@H](Br)CN1CCN(C(=O)c2ccc(I)c(Br)c2)CC1 2170222703 ATHPVZKVXXPDLR-SNVBAGLBSA-N 516.015 3.595 50 10 KHGE Cc1c(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 34792920 QURBOUXDDKUCPZ-JZJYNLBNSA-N 518.533 3.830 50 10 KHGE CCOc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254822409 PIYHLDWDOZCFSB-UHFFFAOYSA-N 508.443 3.650 50 10 KHGE COc1ccc2cc(C=NNC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)c(Cl)nc2c1 1084652668 WXIHHNGMTUOVBY-UHFFFAOYSA-N 525.812 3.576 50 10 KHGE Cc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c(C(C)(C)C)c1 1865851404 AUMAEFDCKAJTDE-UHFFFAOYSA-N 504.612 3.957 50 10 KHGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)NCc1cccc(CNC(=O)C(C#N)=Cc2ccc3c(c2)OCO3)c1 2053624206 BZBHKFPSSOSEGU-UHFFFAOYSA-N 534.528 3.591 50 10 KHGE C=C[C@@]1(CBr)COCCN1C(=O)c1cc(I)ccc1Br 2199849552 UUJCGWQMZWMMJI-CQSZACIVSA-N 514.983 3.846 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2268644628 LYHIQNJVXQWJSJ-PUAOIOHZSA-N 506.795 3.912 50 10 KHGE Cc1c(-c2ccc(/C=N\NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)ccc([N+](=O)[O-])c1C 33154992 KSRGOCIUAPBOQP-RAWMCFOBSA-N 500.475 3.604 50 10 KHGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 100145625 IDUWXNSMCGXUCP-SFTDATJTSA-N 556.619 3.693 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cccn3C)n2-c2ccccc2)cc(OC)c1OC 254508101 BWSJNWHVUKMSLF-UHFFFAOYSA-N 506.588 3.541 50 10 KHGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 254762834 RZWIQGVILSTGKE-UHFFFAOYSA-N 601.612 3.982 50 10 KHGE O=C(N[C@@H]1CCCN(CCBr)C1)c1cc(Br)ccc1I 384669697 CTTAZWQAMXCFFC-LLVKDONJSA-N 516.015 3.643 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 725396727 UBMYSRPETBSDMD-UHFFFAOYSA-N 564.664 3.602 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCNC(=O)c3ccccc3Br)cc2)cc1OC 1772720003 BWFAZRIMCTUWST-UHFFFAOYSA-N 554.397 3.956 50 10 KHGE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1Cl 1866806929 DRMDCZKKJLZHEM-LJQANCHMSA-N 542.104 3.962 50 10 KHGE O=C(NCC[C@H]1COC[C@@H]1Br)c1ccc(Br)cc1I 2142286809 IGJHIJSOBKGUSA-KWQFWETISA-N 502.972 3.584 50 10 KHGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 2314740692 LWFDLSMIQLRWGD-UHFFFAOYSA-N 506.427 3.856 50 10 KHGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253564003 GAJPWGMBCYUQDL-VULFUBBASA-N 532.542 3.938 50 10 KHGE CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084029401 OHNBWZBXCQGMPL-UHFFFAOYSA-N 511.600 3.757 50 10 KHGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-] 1084067006 FDBUBZPYZRPUQL-UHFFFAOYSA-N 517.361 3.703 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OC)c([N+](=O)[O-])c2)cc1 1084390002 RYANDYQNSHCWPV-GOSISDBHSA-N 527.315 3.571 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCCN1CCOCC1 1865687641 WMLSIYZYEANVGB-VWLOTQADSA-N 566.456 3.881 50 10 KHGE CCOC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)c1 2314476934 YGODRDWEYRCLRM-UHFFFAOYSA-N 562.648 3.973 50 10 KHGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C(C)=C(C#N)C1=O 2314617047 PSTDZTJPHVXFQO-UHFFFAOYSA-N 527.606 3.568 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2350352613 GBVKLUBXSNKHKM-PONJGIIJSA-N 505.703 3.582 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2350361856 UXXQDTRUXYKFGZ-WMUXEFRJSA-N 505.703 3.629 50 10 KHGE COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)CCCCCCl)CC3)c2)cc1 23331325 RXMPPGLSABFODR-UHFFFAOYSA-N 524.083 3.977 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1Br 100079920 OQXDPJSGXQHYPY-NSHDSACASA-N 535.247 3.933 50 10 KHGE COc1ccc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 252588367 ABGAXYDDVXEGGM-UHFFFAOYSA-N 502.390 3.803 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)c(OC)c3)cc2OCC)cc1 254705695 NMJPQMBGPDWGLG-UHFFFAOYSA-N 563.607 3.991 50 10 KHGE CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO[Si](C)(C)C(C)(C)C)cc1 504760663 JRZMRFWTUUGLQM-YZNIXAGQSA-N 686.927 3.706 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Br)c2)Cc2ccccc2)cc1 725429979 DGGUJFLUDRQTKY-UHFFFAOYSA-N 516.417 3.799 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(SC)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084255999 AXTXVPWBRUWQIB-UHFFFAOYSA-N 544.611 3.680 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2305167054 ZNFBQBYIABFKFB-HSZRJFAPSA-N 513.682 3.738 50 10 KHGE COc1cccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1c(F)cccc1Cl 2328809001 UZHFQZIJDGQXPL-UHFFFAOYSA-N 510.909 3.633 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Br)cc1 1084034566 VBOGSNZZYNELGR-UHFFFAOYSA-N 500.418 3.833 50 10 KHGE C[C@]1(CBr)COCCN1C(=O)c1ccc(Br)cc1I 2142286423 CHXVKVFICHUDDC-ZDUSSCGKSA-N 502.972 3.680 50 10 KHGE CCOc1cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc(OCC)c1OCC 41012203 VZYLKYDLGWMMDT-KGENOOAVSA-N 524.570 3.876 50 10 KHGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100143647 CKXFSDNMHDEZNO-UHFFFAOYSA-N 559.280 3.961 50 10 KHGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 100209255 SOZRRKFDYILDLH-UHFFFAOYSA-N 533.448 3.782 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1 150455291 PEEYDNAWZGTUIP-SIBAOGJBSA-N 697.795 3.715 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NN=C[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 2297642634 YEVINKRLYXDIIZ-UALZPEOFSA-N 601.140 3.842 50 10 KHGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 2313864555 UIARZALZVSYIMH-UHFFFAOYSA-N 503.205 3.870 50 10 KHGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc(OCC)c1OCC 2314741406 YWMRIFRMTIGUSU-UHFFFAOYSA-N 512.559 3.780 50 10 KHGE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 33619585 GKDONHYOFBRERD-LGMDPLHJSA-N 504.615 3.879 50 10 KHGE O=C(CSc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1)NNC(=O)c1ccc(F)cc1 1083911069 JHBHVFWNLQKZOB-UHFFFAOYSA-N 519.562 3.522 50 10 KHGE C[C@H](Cl)c1nc(=N)[nH]c(=Nc2cc(Br)c(I)c(Br)c2)[nH]1 2151788759 CQOZVIFYXKHVRA-BYPYZUCNSA-N 533.393 3.879 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2268647132 NEKXIBJVSQDLHA-LMKMVOKYSA-N 506.795 3.912 50 10 KHGE CC(C)[C@H](Br)C(C)(C)CN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2365906536 DAIGXYRJDKNHGG-LAUBAEHRSA-N 505.450 3.718 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 100079867 WJVXJEOOUGJSBS-CYBMUJFWSA-N 527.430 3.600 50 10 KHGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4Br)c(C)c32)cc1 101604229 LUNWEOLMIBJOKK-ZXVVBBHZSA-N 539.386 3.904 50 10 KHGE O=C(O)COc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103879953 MFMYNNITLVABNL-ODCIPOBUSA-N 590.111 3.869 50 10 KHGE O=C(N/N=C/c1cccc(I)c1)N/N=C/c1cccc(I)c1 105638911 YHDZEKNFXKLCJX-VNIJRHKQSA-N 518.096 3.563 50 10 KHGE Cc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)N/N=C\c2cccc(F)c2O[C@H](C)C(=O)O)c1 675030819 RWHKXGQZZBXRNU-KPQXCZDLSA-N 505.549 3.612 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084393519 DSSYLHMNRPCHQB-UHFFFAOYSA-N 555.678 3.852 50 10 KHGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)cc1OC 1772749796 OSAZNYQRWYREPY-UHFFFAOYSA-N 505.571 3.813 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CC[C@H](I)C1 1994516215 PMDKHMWOXKIYDC-QMMMGPOBSA-N 505.919 3.703 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cc(B(O)O)cs1 2268646710 LCDFLKJMUWCZPW-XOWTYJCDSA-N 506.433 3.559 50 10 KHGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1Br 2314792888 ICAQMCUIOQFNQD-UHFFFAOYSA-N 527.371 3.851 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)COc1ccc2ccccc2c1 100078300 SBSVIYURSSXQRY-UHFFFAOYSA-N 567.259 3.845 50 10 KHGE CC(C)CCOc1ccc(C(=O)NNC(=O)CCCC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 100137040 COJNOIWYOANRST-UHFFFAOYSA-N 540.661 3.929 50 10 KHGE COc1ccc(CN(C(=O)/C=C/C(=O)O)[C@H]2CC(=O)N(c3ccc(OCCCCCCl)cc3)C2=O)cc1 100357748 SRLVVUBITGILDP-ZVQQDINOSA-N 528.989 3.785 50 10 KHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)c(=O)c23)C1 1860769964 NPYICTCPJHNMBU-RYUDHWBXSA-N 509.415 3.505 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)C[C@H]2C[C@@H](CN(C(=O)OC(C)(C)C)C2)C1 2377107942 JINXBOXQVIPLTL-IAGOWNOFSA-N 519.730 3.973 50 10 KHGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3Br)S(C)(=O)=O)o2)cc1 252624821 PVWWZPFUWTYRBC-UHFFFAOYSA-N 548.415 3.802 50 10 KHGE CC(C)c1ccc(C=NNC(=O)c2nonc2C(=O)NN=Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1083905350 ACYKLHILIZDQTH-UHFFFAOYSA-N 536.505 3.661 50 10 KHGE O=C(COc1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 1083907654 QGYOXBRSPQLPCG-UHFFFAOYSA-N 588.661 3.909 50 10 KHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)cc1 1083941359 GZSJODRARIXNLM-PMERELPUSA-N 619.769 3.617 50 10 KHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1cccc([N+](=O)[O-])c1 1084413534 VVMFGILRWODLKS-UHFFFAOYSA-N 531.388 3.699 50 10 KHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746813 GMGNDMQCQSVYEP-UHFFFAOYSA-N 515.570 3.858 50 10 KHGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686775 ALAKFKXMIPBPLT-SANMLTNESA-N 533.604 3.571 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(-c3cccnc3)[nH]n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867158106 KDRCMGXBOLQECN-DEOSSOPVSA-N 526.578 3.950 50 10 KHGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1cc(I)ccc1Br 2178908105 VAPKOUPUPHZHPC-ONGXEEELSA-N 516.015 3.593 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2ccccc2CCl)CC1 2236203356 ULTRNDJFPQAHSV-UHFFFAOYSA-N 518.076 3.904 50 10 KHGE COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)c1OC(=O)N1CCOCC1 3013955 UKXJRQRNRXXAGT-IBGZPJMESA-N 552.385 3.897 50 10 KHGE C/C(CC(=O)Nc1cccc(I)c1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 100969494 FGYRGTKCAHPLSY-WYMPLXKRSA-N 512.735 3.712 50 10 KHGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1ccc(C)cc1[N+](=O)[O-] 103590083 BNQLXYYUFXSCGG-LDADJPATSA-N 522.539 3.684 50 10 KHGE N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 205772419 AUHCXQGGHLTOHZ-FLXZHSAZSA-N 510.616 3.511 50 10 KHGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214419917 RLSKZOBMDFRAJL-USHMODERSA-N 613.696 3.869 50 10 KHGE Cc1cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)CO)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)CO)c2c1O 254614781 ZEXBENSCFRXEJY-UHFFFAOYSA-N 662.696 3.642 50 10 KHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)c2ccc(C)cc2)cc1 1084549545 QNMMGDFVRUMEPW-UHFFFAOYSA-N 566.680 3.643 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866870963 AGBRSZNCRQMTEW-HFZDXXHNSA-N 542.617 3.904 50 10 KHGE CC1=C(Br)C(=O)[C@](C)(Br)[C@@H](Br)C1=NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2053611754 QUVPCCJRVQBBMH-GXTWGEPZSA-N 559.030 3.893 50 10 KHGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(OC)c2OC)c1 2297325354 AYDHQLJOOHOSAT-UHFFFAOYSA-N 519.554 3.651 50 10 KHGE CCc1cccc(CC)c1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325125763 CAMNSMSNJVNDEK-UHFFFAOYSA-N 503.024 3.944 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 100285208 QCVKOQRSPUQGRQ-QPJJXVBHSA-N 572.235 3.542 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)CCc3c[nH]c4ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920627 KRPFBYNIKWZMKJ-KVZFBGCGSA-N 589.733 3.915 50 10 KHGE CC(C)C1=CC(=NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@](C)(Br)[C@H](Br)C1=O 2053511078 CYMLLQJWPBLHBV-CVEARBPZSA-N 508.188 3.807 50 10 KHGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296540840 ZMEKKMMAUGUOFY-HSZRJFAPSA-N 504.612 3.784 50 10 KHGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 2314740032 RSZWBYSHLKYQII-UHFFFAOYSA-N 535.509 3.835 50 10 KHGE CCC[C@@H](NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 2331916222 RFNJLLCNUAYSEB-JOCHJYFZSA-N 500.646 3.837 50 10 KHGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCOCC3)c2)C1 101014154 OVKWUWUKHHJZHJ-FCBRYHHASA-N 559.692 3.972 50 10 KHGE Cc1cccc(OCC(=O)NNC(=O)c2ccc(Oc3ccc(C(=O)NNC(=O)COc4cccc(C)c4)cc3)cc2)c1 104900142 CQTZGBVJBXYOEU-UHFFFAOYSA-N 582.613 3.776 50 10 KHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2cc(I)ccc2Br)C1 388657601 AWAXMBCPIMCLMZ-ZJUUUORDSA-N 502.972 3.678 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084394135 JQCXVKZENJQMQI-UHFFFAOYSA-N 628.660 3.678 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3cccs3)cc2)cc1 1858992743 XPEUBMKJJJXBIF-UHFFFAOYSA-N 500.627 3.733 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1 1867287578 KMGFFTMVBUKLMR-HXUWFJFHSA-N 522.524 3.866 50 10 KHGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1ccc(I)c(Br)c1 2190191712 WFPAOPCNHBOFPS-KBPBESRZSA-N 514.983 3.870 50 10 KHGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3ccccc3Br)C2=O)cc1 2296226472 ZIMIPVOAQXRFLZ-UHFFFAOYSA-N 504.431 3.810 50 10 KHGE COc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCc4cc(OC)c(OC)cc4[C@H]3C)c3ccccc32)cc1 16040495 PGRFDAFANNGCEW-SYERDHJHSA-N 514.582 3.770 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccccc1I 100076903 RQSWWUFBXZNZRZ-VIFPVBQESA-N 538.194 3.701 50 10 KHGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212799 BJDCBFIAPLFKJA-UHFFFAOYSA-N 542.455 3.957 50 10 KHGE COC(=O)[C@@H]1O[C@H](Br)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 108474065 KXTNIKNREDJJSO-BAHGYDIPSA-N 583.387 3.956 50 10 KHGE CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217195922 JKDJYTCGWGHZPO-XUMLYMLNSA-N 503.024 3.620 50 10 KHGE N#Cc1cc(CBr)ccc1-n1cnc(I)c1I 304410765 OEHFZQLBRRYUFQ-UHFFFAOYSA-N 513.902 3.848 50 10 KHGE COc1cc(C=NNC(=O)CSCC(=O)Nc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 1084596634 RAFIXBCNLLGHBF-UHFFFAOYSA-N 507.568 3.794 50 10 KHGE C[C@H](C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772096 QSKZLHBVBMWYMU-QGZVFWFLSA-N 502.596 3.938 50 10 KHGE CC[C@](C)(NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866899202 UNUCZDPMCIOAJH-MHZLTWQESA-N 505.644 3.856 50 10 KHGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2cc(I)ccc2Br)C1 2121336485 GZRZCGQSIVKTPV-BFKGZMGPSA-N 520.927 3.922 50 10 KHGE C[C@H](Br)C[C@@H]1CCCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2164503038 SMAYKWSEJOXWJK-QYWGDWMGSA-N 503.434 3.759 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)c2cccc(CCl)c2)C1 2272032523 AMEBERIHDOLAAX-UHFFFAOYSA-N 504.049 3.560 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 14644456 FJBRGASNICXCIP-ZDUSSCGKSA-N 513.772 3.663 50 10 KHGE COc1c2c(c(Br)c([C@H]3ON=C(C(=O)NN=Cc4ccccc4F)[C@@H]3C)c1OC)OCO2 254751037 HHHLHNKIVCNYOV-QFYYESIMSA-N 508.300 3.548 50 10 KHGE O=C(CCl)c1cc(I)c(I)cc1I 575715127 SGNKGFVLEGHRFJ-UHFFFAOYSA-N 532.284 3.922 50 10 KHGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OC)c1OCc1ccc(Br)cc1 1084202004 BGLRBRYTEBACMG-UHFFFAOYSA-N 502.409 3.548 50 10 KHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCC(=O)c4ccc(Cl)cc4)c(=O)c23)C1 1860771419 VSQJGLDRCGMGFQ-ZIAGYGMSSA-N 501.008 3.608 50 10 KHGE C[C@@H](Cl)c1nc(=N)[nH]c(=Nc2cc(Br)c(I)c(Br)c2)[nH]1 2151788825 CQOZVIFYXKHVRA-SCSAIBSYSA-N 533.393 3.879 50 10 KHGE CC(=CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331915905 AZBIXTVFCOPVRH-AREMUKBSSA-N 564.689 3.985 50 10 KHGE Cc1cc(OCC(=O)N/N=C/c2ccccc2Cl)nc(SCC(=O)N/N=C/c2ccccc2Cl)n1 3047838 LCJGJAZZBJPYQJ-LYXAAFRTSA-N 531.425 3.863 50 10 KHGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 14035427 JASQYGJHRFGSCX-UHFFFAOYSA-N 514.829 3.852 50 10 KHGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 14651259 WLCDNAIDGXOAMD-UHFFFAOYSA-N 509.382 3.732 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1I 100141316 KSKUMVMSWGFEGR-UHFFFAOYSA-N 561.401 3.828 50 10 KHGE CCN1C(=O)/C(=N\NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(CC)c3ccc(OC)cc32)c2cc(OC)ccc21 100870127 WSJJSUBBAMLJEH-CRHVBUSDSA-N 604.708 3.898 50 10 KHGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101405740 DJHRYPRHOWNFET-IDCRMVTHSA-N 529.530 3.771 50 10 KHGE CO[C@@]1(CBr)CCN(C(=O)c2cc(I)ccc2Br)C1 401494674 JBTXJMQPZFYVQH-CYBMUJFWSA-N 502.972 3.680 50 10 KHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NCCc1ccccc1 1084604249 LGJZVVKNQVVTEB-UHFFFAOYSA-N 513.381 3.820 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2c(F)cccc2Cl)cc1)Oc1ccc([N+](=O)[O-])cc1 1859005867 RGDJCSZSJBFHDT-UHFFFAOYSA-N 521.910 3.837 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C 2200957510 BYUPFQBTWKHTFL-GOSISDBHSA-N 515.698 3.850 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2283962138 GXKAKJXJPUVBNH-XWXLMPLOSA-N 520.460 3.901 50 10 KHGE CN([C@@H](CCBr)C(F)(F)F)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364212505 YBNRXYVBIHMNFZ-INIZCTEOSA-N 513.376 3.821 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14654142 YRNHWMNSEWJJKV-UHFFFAOYSA-N 519.421 3.536 50 10 KHGE CCOC(=O)COc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 58893787 VVKAUCKOJAWGJJ-FQOPDIHJSA-N 507.381 3.754 50 10 KHGE COc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 100293900 MSFDXUCFFXKDEI-SJJOQSKNSA-N 564.161 3.868 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214327291 OHBDBGOTDAFSOD-XPRKOMQSSA-N 571.659 3.561 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc4ccccc4n3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253531002 XFMJRLJCUHDBBO-NLTIYALRSA-N 573.690 3.663 50 10 KHGE biogenic Cc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)NN=Cc2cccc(F)c2O[C@H](C)C(=O)O)c1 1081159617 RWHKXGQZZBXRNU-CQSZACIVSA-N 505.549 3.612 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2285013063 CQWGUKZPBXFENT-BVZFJXPGSA-N 520.460 3.901 50 10 KHGE O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1I 12502672 YZWLMNPSWCUMBA-UHFFFAOYSA-N 515.376 3.759 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 40870121 PJKJECPYEPTRNE-CJLVFECKSA-N 523.545 3.900 50 10 KHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCOC)cc1 100203432 AGMZNYNDFWMIPK-UHFFFAOYSA-N 551.463 3.552 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 195761108 KHVLHRYSOPSVJR-PGVBMLAISA-N 509.756 3.623 50 10 KHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](CBr)OC[C@H]2C)cc1Br 227404092 VNJJIZUMBIBWLD-ZJUUUORDSA-N 506.054 3.693 50 10 KHGE CCOc1cc(C=NNC(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 1772719614 FEAZOHYQXZAOKQ-UHFFFAOYSA-N 549.580 3.601 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3cc[nH]c3c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859007516 SSXOJIYQXFWKSY-UHFFFAOYSA-N 508.512 3.526 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cscc1B(O)O 2269544140 HWMCUTHBDLJLGK-GKVSMKOHSA-N 506.433 3.559 50 10 KHGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NN=Cc1ccc(Br)cc1 254847967 CSALCRQGZLROGO-UHFFFAOYSA-N 504.381 3.929 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725436013 TVPMMFJAJOVXEM-UHFFFAOYSA-N 515.975 3.783 50 10 KHGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)cc2)cc1 1083989204 VYPPIVGNNQXOKN-UHFFFAOYSA-N 559.044 3.591 50 10 KHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)cc1C 1084024983 OCTZFXNWNOMYHQ-HKBQPEDESA-N 633.796 3.925 50 10 KHGE O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1084080823 IQFDWQLSNMQRDI-UHFFFAOYSA-N 545.577 3.914 50 10 KHGE COc1cc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc(OC)c1OC 1084531761 CRYWXWFUBHQKEU-UHFFFAOYSA-N 504.572 3.598 50 10 KHGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(Br)cc3)c(C)c21 1772749129 JVBABZSHYBMONP-UHFFFAOYSA-N 513.348 3.797 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(F)cc2)c(Br)c1 12403547 SKLBRERMRBSXMO-IZZDOVSWSA-N 508.413 4.000 50 10 KHGE COc1ccc(CCNc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1OC 40683949 OWBULTJVXFVYRK-UHFFFAOYSA-N 507.378 3.560 50 10 KHGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084416916 CXTJNTVIBCXJJU-UHFFFAOYSA-N 533.009 3.737 50 10 KHGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C1CCCCC1 2164491735 IYTNDPMCVZTMHG-NQIIRXRSSA-N 503.434 3.664 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 2343816797 FKLCRPJYNMMSAX-OWJWWREXSA-N 526.851 3.651 50 10 KHGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)c(OC)c(OC)c1 38660482 JIXCOBRFGDEDMG-AREMUKBSSA-N 518.522 3.924 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)CCc1ccccc1Cl 100283578 CYAYAODQBYPITM-UHFFFAOYSA-N 549.672 3.899 50 10 KHGE O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cc(I)cc(I)c1O 100451565 CLDLXTJRLFTHGU-VYXQJKENSA-N 550.134 3.565 50 10 KHGE CCS[C@@H]1O[C@](COC(C)=O)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC)[C@@H]1OC(C)=O 575449043 JZSNCODNDCJVAL-WRPDIKACSA-N 632.848 3.853 50 10 KHGE Cc1cnc(-n2cnc(I)c2I)c(CBr)c1 1976477910 OIDNONIAMWIQHK-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2350353034 HHKWLLZFNGWKQH-YNZWCRRESA-N 505.703 3.581 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 9696153 LHCDYVICWVWPRT-ZDUSSCGKSA-N 502.390 3.714 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1I 100145557 LYVSVWSHYHBCIL-CYBMUJFWSA-N 549.390 3.556 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1 104768621 TVRFFDLJICLENL-AUEPDCJTSA-N 599.265 3.820 50 10 KHGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1cc(F)ccc1[N+](=O)[O-] 207163524 NXWFDJLVXCKBRG-YBEGLDIGSA-N 526.502 3.515 50 10 KHGE CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)cc1 254569954 ZOGJEBXSVVLPLW-UHFFFAOYSA-N 560.632 3.705 50 10 KHGE CC(=NNC(=O)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C(=O)NN=C(C)c3ccncc3)cc2)cc1)c1ccncc1 254710100 HRDOEMHGWCTKMW-MEKGRNQZSA-N 594.628 3.941 50 10 KHGE O=C(NCCN1CCC(Br)CC1)c1cc(Br)ccc1I 321528389 RJKABUYRVQNIEB-UHFFFAOYSA-N 516.015 3.643 50 10 KHGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 1083986204 XJWUJKTVBZOVCH-UHFFFAOYSA-N 550.420 3.891 50 10 KHGE O=C(O)COc1ccc(C=NNC(=O)c2cc(Br)c(O)c(Br)c2)cc1Cl 1084033615 NOICJUJKASPKHT-UHFFFAOYSA-N 506.534 3.798 50 10 KHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709799 HAJUDIYJCXUHAR-SFHVURJKSA-N 517.395 3.987 50 10 KHGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(OC)c1OC 1872751212 WVIMNFGPVKFFEU-VLGSPTGOSA-N 509.540 3.830 50 10 KHGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1cc(I)ccc1Br 1878683522 BWPNEKAASPZHHO-PRHODGIISA-N 502.972 3.584 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 2345251300 ODDOGUOQGFDJIF-IVZQSRNASA-N 505.703 3.773 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2366928978 UZDNVMDQFOOPTN-XMMPIXPASA-N 508.330 3.537 50 10 KHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 13976708 IYDQHHXPLJGHKP-UHFFFAOYSA-N 511.947 3.758 50 10 KHGE CCNC(=O)N1CCN(C(=O)/C(C#N)=C2\SC=C(c3cccc(OC)c3)N2c2ccc(OC)cc2)CC1 37441807 HYIVLZLRMOHPTJ-RWEWTDSWSA-N 519.627 3.864 50 10 KHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCOCC1 253579207 ZIJWIOPRBAIANP-BIZUNTBRSA-N 585.738 3.958 50 10 KHGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1ccc(Br)cc1I 2207264868 KPHGGPMCAJYIOX-GXSJLCMTSA-N 516.999 3.974 50 10 KHGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1C 10152108 YKMPOZZVGQNBJD-ZDUSSCGKSA-N 500.187 3.822 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1I 14025076 ZSPLHLGCVLSHRM-UHFFFAOYSA-N 511.385 3.584 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc(C)c1C 14650343 OMIWQCIKAIMJLR-UHFFFAOYSA-N 508.438 3.959 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccccc1I 150387938 NLZLJGKIOGFMCJ-UHFFFAOYSA-N 627.096 3.839 50 10 KHGE CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@H](C)C[C@@H]2[C@@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 575346703 DJHCCTTVDRAMEH-FLLDUHMOSA-N 521.050 3.943 50 10 KHGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)C(C#N)=C(C)N)c1 2042440784 GVHNRDCQTHQINV-UHFFFAOYSA-N 508.383 3.857 50 10 KHGE CCc1cc(Br)ccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)N2CCOCC2)cc1OC 2314796015 NYOTUQIMSIIEOR-UHFFFAOYSA-N 529.387 3.770 50 10 KHGE BrC[C@@H]1CO[C@H]2CN(Cc3ccc(I)c(Br)c3)C[C@H]12 2349859102 FUIQWYXBCOEZAR-GYSYKLTISA-N 501.000 3.895 50 10 KHGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 3255793 ILFSEPXTTJEICF-NTEUORMPSA-N 532.943 3.626 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14031305 WKUZMNSBHVSJDL-UHFFFAOYSA-N 500.802 3.606 50 10 KHGE Cc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1I 100085030 LWDWGAZHEYZCDU-UHFFFAOYSA-N 523.552 3.856 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)c(Br)c1 100086922 VTALSTICRJTKRK-UHFFFAOYSA-N 559.280 3.562 50 10 KHGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253624541 UZEOVNLCUPRZCB-DBVVXOJGSA-N 586.682 3.591 50 10 KHGE CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@@H](C)C[C@@H]2[C@H]3[C@H](Cl)CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 256072941 DJHCCTTVDRAMEH-TVIOLCCVSA-N 521.050 3.943 50 10 KHGE in-vitro CN1CC[C@@H]([C@@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2029060515 NECGEEBMONMPDM-QWRGUYRKSA-N 509.001 3.524 50 10 KHGE O=C(NC[C@H]1C[C@@H](Br)CCO1)c1ccc(Br)cc1I 2142284062 XVTUQSJDDAQCIO-VHSXEESVSA-N 502.972 3.726 50 10 KHGE C[C@@H](CBr)N1CCN(C(=O)c2ccc(Br)cc2I)CC1 2207271467 INAUQOQIWATFOQ-JTQLQIEISA-N 516.015 3.595 50 10 KHGE CCOC(=O)[C@@]1(C)C(=C(O)C(=O)Nc2ccccc2)C(=NNC(=O)c2ccccc2)C(=O)N1c1ccccc1 2297672437 LOLGKGCLCFOUDA-GDLZYMKVSA-N 526.549 3.592 50 10 KHGE CC(C)(C)OC(=O)N1C(=O)[C@H]2C[C@H]1[C@H](I)C[C@H]2NC(=O)OCc1ccccc1 2297731572 JESNUBIUQOQQRA-JJXSEGSLSA-N 500.333 3.641 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100079874 LCBCXIABXJPZQL-VIFPVBQESA-N 521.220 3.868 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1Br 100079917 OQXDPJSGXQHYPY-LLVKDONJSA-N 535.247 3.933 50 10 KHGE CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869771 JJPHRFXHZTWWNN-IBBHUPRXSA-N 569.998 3.864 50 10 KHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)cc2)c1 206608243 CKOQHQWMZDYASL-JYRVWZFOSA-N 503.540 3.504 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Br)c2)Cc2ccccc2)cc1 1084220827 FELDRWCGNOEAQN-UHFFFAOYSA-N 543.443 3.749 50 10 KHGE CCOc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O 1084564764 ZWHXMPPQSHSRGP-UHFFFAOYSA-N 501.992 3.786 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866646874 JFXSLARWZCULHC-VWLOTQADSA-N 580.688 3.724 50 10 KHGE CN1CCN(C2CCC(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)CC2)CC1 1867282807 CAWOGCCAFPAXHB-HNHZEOAVSA-N 505.688 3.732 50 10 KHGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 2285022423 YZMUXDNSTXUOHY-MHZLTWQESA-N 500.404 3.875 50 10 KHGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2297498236 DJHRYPRHOWNFET-HXUWFJFHSA-N 529.530 3.771 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NN=C[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 2297642633 YEVINKRLYXDIIZ-BOSVUODDSA-N 601.140 3.842 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1c(C)cccc1C 14650267 YSBMYNHUARHVGO-UHFFFAOYSA-N 508.438 3.959 50 10 KHGE O=C(CSc1nc2ccccc2[nH]1)N/N=C\c1cc(Br)c(O)c(Br)c1O 32519909 XDDXKHVBAGASDW-SWNXQHNESA-N 500.172 3.742 50 10 KHGE Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)CCCO)(c5ccccc54)[C@@H]3C2=O)c(C)c1 59382326 MFZODGBSOGQXHA-VIVKPMDYSA-N 507.590 3.729 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1I 100078823 VWXQBFQRALJKER-UHFFFAOYSA-N 595.246 3.661 50 10 KHGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 100313941 SCVMBLREBHUCIY-JOCHJYFZSA-N 510.660 3.720 50 10 KHGE CCOC(=O)C1=C(SCc2cc3c(nc2N)CCN(C)C3)OC(C#N)=C(C#N)[C@@H]1c1ccc(F)cc1 164974977 UGWNEGRGEFHCHL-QFIPXVFZSA-N 505.575 3.914 50 10 KHGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN=C/C=C/c1ccccc1 252637428 XSYDMRTUTYJYLS-QZSJVAFHSA-N 501.630 3.736 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)cc3OC)nc3ccccc3c2=O)cc1 254789975 GVUFOEAXKGTHLC-UHFFFAOYSA-N 504.568 3.654 50 10 KHGE Brc1ccc(I)cc1CO[C@@H]1COC[C@H]1I 1902315747 QOCFRWNKGKSVMZ-GHMZBOCLSA-N 508.919 3.773 50 10 KHGE CC(C)C1=CC(=NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@](C)(Br)[C@@H](Br)C1=O 2053511081 CYMLLQJWPBLHBV-JKSUJKDBSA-N 508.188 3.807 50 10 KHGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NC[C@@H]1CCCO1 2296846466 PAYISELTNFRUBZ-SANMLTNESA-N 545.665 3.916 50 10 KHGE COc1ccc(C(=O)NN=Cc2cc(I)c(O)c(OC)c2)cc1Br 2297321370 NYYQRTRQCMFGBB-UHFFFAOYSA-N 505.106 3.540 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1 2314646809 PEEYDNAWZGTUIP-HHHXNRCGSA-N 697.795 3.715 50 10 KHGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 58891542 URPYUXDXDKZWDN-LPANUZLBSA-N 507.381 3.754 50 10 KHGE COc1cc(/C=C\C(=O)NNC(=O)c2ccccc2NC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 102930690 WWGGUNPPXAWWFR-XSYHWHKQSA-N 591.617 3.865 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)CCc3c[nH]c4ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920628 KRPFBYNIKWZMKJ-YHRUFCSUSA-N 589.733 3.915 50 10 KHGE biogenic COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C=Cc2c(C)nn(-c3ccc(F)cc3)c2C)c1 2042445702 STNNTTUKPFTSCO-UHFFFAOYSA-N 563.611 3.912 50 10 KHGE CO[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2I)C[C@H]1Br 2142279087 LSYFCKHLHUOPGU-MKPLZMMCSA-N 502.972 3.724 50 10 KHGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 2178904241 VDEXGFVOOLERDQ-MNOVXSKESA-N 516.015 3.593 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2283962135 GXKAKJXJPUVBNH-QSAFDGGLSA-N 520.460 3.901 50 10 KHGE Brc1cc(CN2CCN3C[C@H](Br)C[C@H]3C2)ccc1I 2349848540 UKIRVLHPUOSTKV-NEPJUHHUSA-N 500.016 3.707 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)c(Br)c1 10295881 SISSEDXBNUUWTR-CQSZACIVSA-N 508.438 3.903 50 10 KHGE C#CCOc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1I 58893965 NRMMDPGHIMXYKX-ZOLHPDHPSA-N 506.340 3.666 50 10 KHGE O=C(CCN1CCN(Cc2ccc3c(c2)OCO3)CC1)NN/C=C1/C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 97984610 BSYRZTQYNPVZHO-HKOYGPOVSA-N 621.616 3.791 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1I 100145582 YRAMJQZCAJDUSV-CQSZACIVSA-N 533.391 3.856 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1cccnc1)[C@@H]2Br 100922382 UILZNWUZDRQIDK-RLCCDNCMSA-N 524.051 3.528 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc2cc(Br)ccc2oc1=O 101828108 GEQRWHQLLQEGFW-LICLKQGHSA-N 539.338 3.549 50 10 KHGE COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2cc(C)cc([N+](=O)[O-])c2O)cc1OC 254393811 QWKVZGCSBBDYAT-UHFFFAOYSA-N 503.515 3.717 50 10 KHGE COc1c(C=NNC(=O)c2ccccc2[N+](=O)[O-])c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254871166 PHECRGMCIUEREO-QGZVFWFLSA-N 550.499 3.979 50 10 KHGE CCc1ccc(OCC(=O)O)c(/C=N\NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2cccs2)c1 675031536 MBDMMKFBABHSLL-MSXFZWOLSA-N 522.004 3.992 50 10 KHGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CS(=O)(=O)c2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866882392 LKXFDWIQINEMMP-XMMPIXPASA-N 572.064 3.978 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2379882422 GOINLAMJGDHJOD-BZQUYTCOSA-N 508.330 3.537 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667382 KZWYKHFYKOSVAK-UHFFFAOYSA-N 508.438 3.761 50 10 KHGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1ccccc1[C@@H](C)CC 100094279 CFAAIPXVCVQKDP-SFTDATJTSA-N 540.661 3.637 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc4ccccc4n3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253531003 XFMJRLJCUHDBBO-ZFNJQNBUSA-N 573.690 3.663 50 10 KHGE biogenic CCOc1ccc(N(CC(=O)NN=Cc2cccc(OC)c2O)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083912927 OODDLGVYXSFRNC-UHFFFAOYSA-N 517.991 3.799 50 10 KHGE BrC[C@H]1N(c2ncc(I)cc2Br)CC12CCOCC2 2352938882 LYXMVYAQDQEURT-LLVKDONJSA-N 501.988 3.829 50 10 KHGE COCCNC(=O)/C(C#N)=C\c1c(N(Cc2ccccc2)Cc2ccccc2)nc2c(C)cccn2c1=O 2207340 CGAJQHZWDLOPSP-BWAHOGKJSA-N 507.594 3.879 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101336950 VWIFQIZDTOCFCQ-NHVVDLMHSA-N 571.659 3.561 50 10 KHGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597516 VAEKMGKOBKBHOZ-NLRVBDNBSA-N 509.906 3.695 50 10 KHGE O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 105682585 NFFXGNQIKRLKKQ-YAGSLNJISA-N 600.569 3.864 50 10 KHGE COC(=O)c1ccc(COc2ccc(C=NNC(=O)CCN3CCN(c4ccccc4)CC3)cc2OC)cc1 254745455 UPDGBFZDESCDII-UHFFFAOYSA-N 530.625 3.723 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084418279 YSDRHEAHBKBVBA-UHFFFAOYSA-N 521.639 3.952 50 10 KHGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)CCN1C(=O)OC(C)(C)C 2044693016 GVCHCCNTNUMIDK-UHFFFAOYSA-N 534.473 3.975 50 10 KHGE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)C1 33547396 HHZDLTCKSHTCGK-JSZIULHXSA-N 529.597 3.727 50 10 KHGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)CC1 40813398 OPTDTHMKMZENPI-YZSQISJMSA-N 516.938 3.645 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080844 ZAQAIVKDJCESHQ-UHFFFAOYSA-N 610.122 3.762 50 10 KHGE CCOc1ccc(C=NNC(=O)c2ccc(NC(C)=O)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254572333 OJGYOXONCFCUGO-VWNXMTODSA-N 527.625 3.589 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CCOC[C@H]1CCBr 721619512 HBVQOIYIIYUWJL-SNVBAGLBSA-N 502.972 3.680 50 10 KHGE Nn1c(SCC(=O)NN=Cc2cccc(Cl)c2Cl)nnc1-c1ccc(Br)cc1 1084088466 PWVSSOXEMHOLKL-UHFFFAOYSA-N 500.209 3.971 50 10 KHGE C#CCOc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OCC 1084602798 FBPFJHUHYGMGPN-IBGZPJMESA-N 506.340 3.666 50 10 KHGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)C1 1873777737 QPSHXVWGURTCLD-QGZVFWFLSA-N 503.946 3.531 50 10 KHGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)N1CCC(Br)CC1 2025360713 VNGLKGQJXKIFRY-UHFFFAOYSA-N 507.470 3.754 50 10 KHGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)O 2313567528 LBELQSRTGFYSMM-UHFFFAOYSA-N 510.388 3.897 50 10 KHGE CCOc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314620734 TZHXJBVDKGXMKC-UHFFFAOYSA-N 536.556 3.975 50 10 KHGE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349640534 FHYPBTRZJMYDPZ-ZHRRBRCNSA-N 507.719 3.973 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C 2350361851 UXXQDTRUXYKFGZ-FENNVDPPSA-N 505.703 3.629 50 10 KHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)c(C)c1 100080725 JXQNWZANLXTWCI-UHFFFAOYSA-N 586.306 3.648 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC#N)c(OCC)c2)cc1 100238280 NXFPLPGFVZMLLQ-RWTUPJDWSA-N 551.381 3.955 50 10 KHGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869871 DFGMLEFZKDLJOA-FDAWAROLSA-N 549.580 3.601 50 10 KHGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)Cc4ccc(Br)s4)c(=O)c23)cc1 1860770301 BTZBFEMEHOBYJZ-UHFFFAOYSA-N 517.430 3.648 50 10 KHGE COc1ccc(/C=C(\C#N)C(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1OC 1866131739 KZFOLJKNXHUHTC-JIOFHBDDSA-N 528.561 3.972 50 10 KHGE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NNC(=O)C(c1ccccc1)c1ccccc1 2313682471 CXZNKNMSHPJHND-UHFFFAOYSA-N 512.566 3.688 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100103015 RRAWDDIYISRFHJ-UHFFFAOYSA-N 535.645 3.888 50 10 KHGE Cc1cc(OCC(=O)NNC(=O)C2CCC(C(=O)NNC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc(C)c1Cl 100103637 QPFFURMCGBSJSR-UHFFFAOYSA-N 593.508 3.786 50 10 KHGE CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(I)cc1 103865123 QPWLLMWKWNKPDP-DHRITJCHSA-N 557.816 3.705 50 10 KHGE CC1(CC(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)OCCO1 105132808 VTOFLBOPQLNSEL-VWDMJLBDSA-N 539.563 3.632 50 10 KHGE CC(=NNC(=O)CCC(=O)NN=C(C)c1cccc(NC(=O)C(F)(F)F)c1)c1cccc(NC(=O)C(F)(F)F)c1 252636130 XEVCXIHQGGLWTO-UHFFFAOYSA-N 572.466 3.849 50 10 KHGE Cc1cccc(C)c1N(CC(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(C)(=O)=O 1084055026 YJXIVSCOVRYLAC-UHFFFAOYSA-N 510.572 3.707 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 1084210788 XUQDWJSKRMQMQF-UHFFFAOYSA-N 655.777 3.766 50 10 KHGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=NNC(=O)CCCO)(c5ccccc54)[C@H]3C2=O)c(C)c1 1084443173 MFZODGBSOGQXHA-MWKZZOCJSA-N 507.590 3.729 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772750156 VRMIFXXLZJLYIM-UHFFFAOYSA-N 559.406 3.970 50 10 KHGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(F)c(F)c3)cc2)cc1 1858673618 IVVPPRQFQIUEST-UHFFFAOYSA-N 502.524 3.978 50 10 KHGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 1866214182 WDDRKKFICXKTEL-IAOUMNOZSA-N 542.588 3.980 50 10 KHGE COC[C@@](C)(CBr)CNC(=O)c1ccc(Br)cc1I 2142281136 MOXJSKLRMHYUGT-ZDUSSCGKSA-N 504.988 3.831 50 10 KHGE O=C(NCC12CC(CBr)(CO1)C2)c1ccc(Br)cc1I 2207268822 NRBJLUCIVDUWAL-UHFFFAOYSA-N 514.983 3.728 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]21 2350360666 ISVOPJJRQGERHQ-XCGNWRKASA-N 505.703 3.725 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)NNC(=O)COc2cccc(F)c2)cc1OC 33371454 OJLPDBXAVBLKGT-OWBHPGMISA-N 516.529 3.935 50 10 KHGE COC1=C/C(=C\NNC(=O)CSc2nnc(CCCc3ccc(OC)cc3C)o2)C=C(Br)C1=O 138011591 IZMZOTSVVXNXHG-QINSGFPZSA-N 549.447 3.551 50 10 KHGE C[C@H](NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc2c(c1)CCCC2 217201681 LRVOJPLRYVFBDO-LSOGNMMWSA-N 529.062 3.936 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](c2cccnc2)N(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1867278754 LLVUAEWMZMXLQC-LOSJGSFVSA-N 517.611 3.549 50 10 KHGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2142285231 NLCDMHQWAKWRPZ-PSASIEDQSA-N 502.972 3.678 50 10 KHGE COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c(=O)c1C#N 59639899 VISUVXITOLMYHY-KVSWJAHQSA-N 524.419 3.804 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] 101492313 STHCYIBSOOEQRK-UHFFFAOYSA-N 526.724 3.624 50 10 KHGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(Oc3ccc(C(=O)NNC(=O)COc4ccc(C)cc4)cc3)cc2)cc1 104900133 IBDUAMBFNJINTH-UHFFFAOYSA-N 582.613 3.776 50 10 KHGE CCOC1=C/C(=C/NNC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)C=C(I)C1=O 136185107 YEJCRHIHSTVGBQ-WUKNDPDISA-N 554.388 3.606 50 10 KHGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 214254798 VEGDFZUFHDZTCV-CPYLFOLBSA-N 585.686 3.951 50 10 KHGE Cc1cc(CBr)cnc1-n1cnc(I)c1I 309168276 ILDRSJNZRLBOAZ-UHFFFAOYSA-N 503.907 3.680 50 10 KHGE NC(=O)NN=C(CCC/C(=N\NC(N)=O)c1ccc(Br)cc1)c1ccc(Br)cc1 2059061558 MIJIZIOSDSTXGB-OUVFPFSWSA-N 524.217 3.827 50 10 KHGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)=C(C#N)C1=O 2314611481 VEGDFZUFHDZTCV-NRFANRHFSA-N 585.686 3.951 50 10 KHGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212859 GVFYAVMNAWBRCV-UHFFFAOYSA-N 558.454 3.794 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OCC)c2)cc1 100238340 LUWQMRQGMRWCND-WEPUMBSASA-N 570.380 3.516 50 10 KHGE CCCOc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207231481 HMINHJQTIZWXIJ-LLNBEJCNSA-N 501.539 3.762 50 10 KHGE O=C(COc1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858955476 FMSXDEGUXFDBOK-UHFFFAOYSA-N 537.909 3.560 50 10 KHGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCc4ccccc4Br)c(=O)c23)C1 1860770984 FJCUUFFQEQBZMC-ZIAGYGMSSA-N 517.449 3.687 50 10 KHGE Cc1cc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc(S(N)(=O)=O)c1 1867236448 FLVCCNZDZCOODQ-HSZRJFAPSA-N 540.692 3.886 50 10 KHGE O=S(=O)(c1ccc(CBr)c(Br)c1)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2123370923 TZFLUTMISFQLPU-SJORKVTESA-N 500.256 3.991 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2283972323 QWOFECUKAXVXOB-SGANQWHYSA-N 508.330 3.537 50 10 KHGE C[C@@H](Br)CN(CCC(C)(C)C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2288046854 DAHZVUOPAOZRMN-VFNWGFHPSA-N 505.450 3.862 50 10 KHGE N#CC(=CNc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2cccc(Br)c2)cs1 2296038115 XDRLARAVRVABFO-UHFFFAOYSA-N 503.407 3.721 50 10 KHGE CCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1OC 2297307970 UTLJABANGLFZPR-UHFFFAOYSA-N 507.572 3.847 50 10 KHGE O=C(NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1 10510817 GDWKXRHQQDQWNC-UHFFFAOYSA-N 502.596 3.606 50 10 KHGE O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1 252593060 BITGYYXLYMIJAZ-UHFFFAOYSA-N 531.388 3.699 50 10 KHGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1865759732 PLJZOARBPMBKQP-UHFFFAOYSA-N 507.399 3.689 50 10 KHGE O=C(N[C@H]1CCOC[C@H]1CBr)c1ccc(I)c(Br)c1 1878686901 QIUCGLGDLVPQJN-SKDRFNHKSA-N 502.972 3.584 50 10 KHGE C=C(C=O)[C@@H]1CC[C@]2(C)[C@H](C[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@H]([C@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@]1(C)CCC(=O)O 2080447377 LLOPBMFQDSMMHQ-WKTRSZMASA-N 650.850 3.762 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CC(OCCCBr)C1 2142280232 AWQKAQZTZSRINW-UHFFFAOYSA-N 502.972 3.680 50 10 KHGE O=C(CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NNC(=O)c1ccccc1O 2297305840 NMILPNRBIKDVHY-UHFFFAOYSA-N 520.430 3.597 50 10 KHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccc(Br)cc3)nc12 33897159 GZNFPQRHXGLPIV-KVVHSQDJSA-N 509.360 3.760 50 10 KHGE CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OCC 58891670 VJYOSNHPRAUUGY-LPANUZLBSA-N 507.381 3.754 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 100132842 OCHNYSBJYGUXIM-UHFFFAOYSA-N 615.344 3.959 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 100194263 UZDJKIPVWOLZDX-UHFFFAOYSA-N 566.474 3.765 50 10 KHGE COc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1I 100437427 YTZLKJAQZKXBLG-UFWORHAWSA-N 505.106 3.540 50 10 KHGE COc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc(OC)c1OC(C)=O 254450168 LMHRMPZSMQOIRN-UHFFFAOYSA-N 546.605 3.879 50 10 KHGE CCOc1ccc(C=NNC(=O)Cc2ccc(F)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254626917 KYFZRBXNPNQIFW-PKTZIBPZSA-N 502.590 3.698 50 10 KHGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)c(=O)c1C#N 1084356154 VISUVXITOLMYHY-UHFFFAOYSA-N 524.419 3.804 50 10 KHGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc([N+](=O)[O-])cc1 1084497844 VYMDPODGMJHERG-UHFFFAOYSA-N 545.415 3.741 50 10 KHGE CCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 1772720127 CUGQGOUPMJTNJC-UHFFFAOYSA-N 515.408 3.635 50 10 KHGE CC[C@@](C)(NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867228480 WEQBPJJXHZBGQS-HSZRJFAPSA-N 506.625 3.722 50 10 KHGE O=C(c1ccc(Br)cc1I)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2207262119 PIBSDFWXRCHLIW-XDTLVQLUSA-N 514.983 3.821 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@@H]2COC[C@@]2(CBr)C1 2234584112 XITLTJSLCFJVNT-YMTOWFKASA-N 514.983 3.537 50 10 KHGE C[C@@H](Br)COCc1cn(-c2ccc(Br)cc2I)nn1 2278386768 JMYLLCBHPQLCKV-MRVPVSSYSA-N 500.960 3.934 50 10 KHGE C/C(=N/NC(=O)CCCSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc2c(c1)OCO2 58989963 XRMNEKQKVWRIGH-CFRMEGHHSA-N 517.409 3.563 50 10 KHGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Oc2ccc(N/C=C3\C(=O)N(C)C(=O)C(C#N)=C3C)cc2)cc1 102773567 NRTOTNMIFXBVPV-YXHOTNNGSA-N 548.559 3.748 50 10 KHGE C[C@@H](NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc2c(c1)CCCC2 217201675 LRVOJPLRYVFBDO-LFTLAFEGSA-N 529.062 3.936 50 10 KHGE C[C@@H]1CN(C(=O)c2cc(I)ccc2Br)C[C@H](CBr)O1 235367234 IEFGYBHDFKUBIM-SCZZXKLOSA-N 502.972 3.678 50 10 KHGE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@H]3O[C@H]1C[C@@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1 575417015 IJUAKMXOOVCLEV-QBJZYIRZSA-N 753.796 3.751 50 10 KHGE CCOc1ccc(C=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)cc1 1084251052 XSBDDUWBVXEHET-UHFFFAOYSA-N 503.426 3.843 50 10 KHGE COc1ccc(/C=C(\C#N)C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1OC 1866131740 KZFOLJKNXHUHTC-VVIXHQMUSA-N 528.561 3.972 50 10 KHGE CCN1CC[C@H]([C@@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2089522968 LXDLHDMGPPYPHO-NEPJUHHUSA-N 523.028 3.914 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CC2(C1)OCCC[C@@H]2Br 2207266533 AOKSDSJADUPHJI-LBPRGKRZSA-N 514.983 3.822 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239915257 HPAVNHNITJXWSO-XPTSAGLGSA-N 514.983 3.680 50 10 KHGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cccc2c(O)cccc12 2324915489 WKNGFIMODLPDHB-UHFFFAOYSA-N 512.975 3.678 50 10 KHGE CC(C)(C)OC(=O)N1CCC(CCC2CCN(S(=O)(=O)CI)CC2)CC1 2335929390 WKVUYFBTYQDOQX-UHFFFAOYSA-N 500.443 3.848 50 10 KHGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCCn3ccnc3)c2)C[C@@H](C)O1 110558481 XURPPIWKVWFAJA-YFPBTJPSSA-N 599.717 3.647 50 10 KHGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OC)[C@H]1OCc1ccccc1 206614704 ZXDTXTMEFLROMN-RLXMVLCYSA-N 536.741 3.896 50 10 KHGE CCOC(=O)C1=c2sc(=Cc3cc(Br)ccc3F)c(=O)n2C(N)=C(C#N)[C@@H]1c1cc(Br)ccc1F 252674733 SKNOWIZNMLGLLA-IBGZPJMESA-N 623.273 3.704 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)ccc3OC)nc3ccccc3c2=O)cc1 254376102 NRPPIPMSWROIPF-UHFFFAOYSA-N 504.568 3.654 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1 1084258738 RGXVQDFVQCNDLM-UHFFFAOYSA-N 511.214 3.573 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CC[C@H](OCCBr)C1 2109128445 PKYUPWQFEWOXEX-JTQLQIEISA-N 502.972 3.680 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C 2200960230 BYUPFQBTWKHTFL-GOSISDBHSA-N 515.698 3.850 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)C1CCCCC1 12572764 NCCBUWLMSQRMMH-UHFFFAOYSA-N 507.248 3.501 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)c(Br)c1 13978624 ZVOIUQUHVMZUJD-UHFFFAOYSA-N 500.418 3.808 50 10 KHGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1I 59152889 VGCJDFBVGLINBF-RVWJGDDESA-N 511.319 3.926 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC(=O)OC)c(OCC)c2)cc1 100235202 XAZHWFZKVVDWTH-QVISHHADSA-N 537.407 3.762 50 10 KHGE NNC(=O)c1csc(COc2c(I)cc(I)cc2I)c1 711234907 HPLZQHMHCSRZJX-UHFFFAOYSA-N 625.995 3.744 50 10 KHGE CN1CCN(C(=O)c2ccc(Br)cc2I)[C@H](CCBr)C1 2207267360 LCFLBSKPXXAEOY-LLVKDONJSA-N 516.015 3.595 50 10 KHGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2268666826 OXJOMLLFUKQTJW-NSYGIPOTSA-N 506.433 3.511 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 2303768353 HCGUWVMITLGLQC-NRFANRHFSA-N 507.052 3.977 50 10 KHGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1OC 40583761 SAMGFJICJOXQEP-UHFFFAOYSA-N 517.340 3.576 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100088182 LDLVQHBQPUHWGX-UHFFFAOYSA-N 521.220 3.544 50 10 KHGE N#CC1=C(N)n2c(sc(=Cc3ccccc3C(F)(F)F)c2=O)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 252677734 ZQOKNGGFAACEHW-LJQANCHMSA-N 518.442 3.899 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cccc(Br)c3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530921 GDAPGKILSITURB-RJFDHKQKSA-N 601.538 3.878 50 10 KHGE biogenic O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)NCc1ccco1 725394277 XRKVOFBDITUZFZ-UHFFFAOYSA-N 512.522 3.856 50 10 KHGE COc1ccc(C(=O)NCCCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 1772720882 ZSKJJZZCUIIFIL-UHFFFAOYSA-N 579.606 3.609 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743729 GNBZFDOKYNHRAN-UHFFFAOYSA-N 509.906 3.695 50 10 KHGE C[C@H](Br)CN1CCN(C(=O)c2ccc(I)c(Br)c2)CC1 2170222702 ATHPVZKVXXPDLR-JTQLQIEISA-N 516.015 3.595 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(Br)c1 2313862186 OBPNHLRGMIQTJA-UHFFFAOYSA-N 521.393 3.595 50 10 KHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 9822001 UIHMWFKOKCDKNM-UHFFFAOYSA-N 512.632 3.570 50 10 KHGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC3CCCCC3)c(N3CCN(Cc4ccccc4)CC3)nc12 34876136 RAUJZMZKRKTJCR-CLCOLTQESA-N 510.642 3.681 50 10 KHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660534 RGWFDENDLYSWQZ-AREMUKBSSA-N 518.522 3.924 50 10 KHGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 100195962 RHLYHBURJVKUNL-UHFFFAOYSA-N 545.253 3.633 50 10 KHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100233459 WQEGZTKUBHHEKA-UHFFFAOYSA-N 589.306 3.650 50 10 KHGE CC(C)(C)[Si](OC[C@H]1OC=C[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)(c1ccccc1)c1ccccc1 195914132 AFFPFDIIVCVTRH-RBFIIOIDSA-N 785.095 3.606 50 10 KHGE COc1cc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1Cn1nc(C)c(Br)c1C 252595495 CAZNWLCMQCFIFD-UHFFFAOYSA-N 500.353 3.920 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 252609297 HQVVQGIJCNOBQK-UHFFFAOYSA-N 514.003 3.776 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 254506569 SAJRAJXMZXESBK-UHFFFAOYSA-N 566.680 3.643 50 10 KHGE CC(=O)N[C@H]1[C@H](O[C@@H](C)C(=O)NNC(=O)c2ccc3ccccc3c2)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1OCc1ccccc1 504491575 HVOBNXMVASDBRD-BCLDJFBWSA-N 639.705 3.935 50 10 KHGE biogenic Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(-c2ccc(Br)cc2)o1 1084531825 DRJZWBDZBUOTCR-UHFFFAOYSA-N 506.320 3.841 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185299215 XXBDTEMIWDPVTF-BZHVJNSISA-N 514.983 3.821 50 10 KHGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2350352064 GYVZSKIWEDNMFA-MFKICJERSA-N 507.719 3.828 50 10 KHGE Cc1cc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)ccc1Br 12490121 BSIWVVBQPWOWFG-UHFFFAOYSA-N 500.187 3.742 50 10 KHGE O=C(CCCO)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 105434164 OKRHOMGZHHXVKJ-LRBMJQQNSA-N 558.432 3.874 50 10 KHGE O=C(CCCCC(=O)NNC(=O)COc1ccc(Br)cc1Cl)NNC(=O)COc1ccc(Br)cc1Cl 150389414 HGUIJPVIDQAGHX-UHFFFAOYSA-N 669.154 3.831 50 10 KHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747056 CLMZHMYYCKSSNN-UHFFFAOYSA-N 501.971 3.786 50 10 KHGE CSCC[C@@H](Br)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338848515 XNZKQAIAXWQHNY-INIZCTEOSA-N 505.500 3.669 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C1CC1 2350100344 WOAXJKGVYMZUTP-AOMKIAJQSA-N 505.703 3.725 50 10 KHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 10450666 GVSFEJUXQAVZJD-NTEUORMPSA-N 503.540 3.504 50 10 KHGE CC(C)CCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623236 XFHFBVKERTXFSG-IBGZPJMESA-N 502.409 3.684 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCC(C)C)c1 14644949 GIPXLIUJBGXDJM-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)ccc1OCC(N)=O 20228582 JCBBBQCEYRQYNP-UVHMKAGCSA-N 512.360 3.665 50 10 KHGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1C 100080780 HMDCVGDSWWLIAU-UHFFFAOYSA-N 586.306 3.648 50 10 KHGE Cc1cc(Cl)ccc1OCC(=O)N/N=C/[C@]12CC[C@@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118920637 YEVINKRLYXDIIZ-UTUDWELZSA-N 601.140 3.842 50 10 KHGE biogenic O=C(NN=Cc1ccc(OC(=O)c2cccnc2)cc1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 254394052 YDBIMIDXSSIOGS-UHFFFAOYSA-N 503.522 3.767 50 10 KHGE COc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1OC 254452526 SBMHCJZWUNUVIV-UHFFFAOYSA-N 571.586 3.974 50 10 KHGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)c2ccccc2Br)cc1OC 1084032848 GHYQTCBYOJFPFP-UHFFFAOYSA-N 514.170 3.926 50 10 KHGE COc1ccc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 1084147659 WOKIZJCHNKKPPJ-UHFFFAOYSA-N 541.626 3.683 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCC(=O)OC)c(I)c2)cc1 1084214082 GZYCOXOHTLOVMS-LJQANCHMSA-N 666.250 3.810 50 10 KHGE COC[C@@](C)(CBr)CNC(=O)c1ccc(I)c(Br)c1 1926978291 FKBNXZIIFWANQD-ZDUSSCGKSA-N 504.988 3.831 50 10 KHGE CCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1OC 20073707 SLBDMNRDGRTXIF-WBTXMKEXSA-N 509.628 3.832 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccncc1 105151711 NKCNFWBXJXMLRA-VSRRSJTHSA-N 547.426 3.707 50 10 KHGE Cc1oc(COc2c(I)cc(I)cc2I)cc1C(=O)NN 154935904 MLYOVCMLJXADPW-UHFFFAOYSA-N 623.954 3.584 50 10 KHGE C[C@@H]1C[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 169523223 YPDNOVWUTMHAKI-VLSRWLAYSA-N 537.436 3.840 50 10 KHGE CCOc1ccc(C(C)=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 254792198 TTYANNJYJBNVHS-UHFFFAOYSA-N 508.438 3.789 50 10 KHGE O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(F)(F)F 1084315425 FIBINCCSTMSICW-UHFFFAOYSA-N 506.462 3.959 50 10 KHGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2268666825 OXJOMLLFUKQTJW-GKVSMKOHSA-N 506.433 3.511 50 10 KHGE Cc1cc(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(SC#N)cc3)C2=O)ccc1Br 2297534411 WMNCTJNLCNIZFD-UHFFFAOYSA-N 500.334 3.619 50 10 KHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 9826249 OOUDITPMRHYSOW-UHFFFAOYSA-N 512.632 3.570 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2Br 100935403 IIDMOIJEEUUPQH-BVGQSLNGSA-N 582.087 3.971 50 10 KHGE COc1ccc(-c2cc(C(=O)N[C@H](CCSC)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866622344 MCLSKXIWCYAOMY-LJQANCHMSA-N 509.613 3.921 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)cc1 2314647007 YTOVXSCSWMLLHN-MHZLTWQESA-N 697.795 3.715 50 10 KHGE CCOC(=O)N1CCC(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 2324608479 YDCSJLSOVVOVES-UHFFFAOYSA-N 501.631 3.538 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@H](CNC(=O)OC(C)(C)C)C1(C)C 2349662664 MZRYIVKIQMVMPT-IVZQSRNASA-N 507.719 3.876 50 10 KHGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 14037137 LBMDOSSXVYWQEH-UHFFFAOYSA-N 500.802 3.606 50 10 KHGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667353 BKIYTRHQHIQRGW-UHFFFAOYSA-N 521.437 3.782 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 40890095 DVQSUAATTWFESU-HMMYKYKNSA-N 503.555 3.889 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)cc(OC)c2OC)cc1 58894573 WZGRTRHRSXDJQO-ZMPUUUETSA-N 512.344 3.671 50 10 KHGE COc1cc(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1OC 59333156 QBOQGYYKQREIOI-SFQUDFHCSA-N 503.340 3.564 50 10 KHGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)ccc1Br 100056533 WZHWEMNXUQCQIU-UHFFFAOYSA-N 551.029 3.888 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)c(Br)c1 100126301 OCXLKQMLMJTQHB-UHFFFAOYSA-N 564.502 3.713 50 10 KHGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100235023 YMPGNJRYGRAENW-UHFFFAOYSA-N 552.491 3.876 50 10 KHGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1OC 104116317 XWUGTCPAWHCBOV-NDENLUEZSA-N 549.381 3.710 50 10 KHGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccn3)S(=O)(=O)c3ccccc3)o2)cc1 254444069 DYLCOCNRCZGKIK-UHFFFAOYSA-N 532.578 3.864 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2269545662 MWVHSNFKOYQVRH-VWLOTQADSA-N 506.795 3.912 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]21 2349641967 ISVOPJJRQGERHQ-WJONJSRFSA-N 505.703 3.725 50 10 KHGE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2349650239 OHFGGNCVJLXWDY-PONJGIIJSA-N 507.719 3.971 50 10 KHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812815 HZNMUKSXTSVYIC-LGUFXXKBSA-N 501.425 3.987 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(Br)cc3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530902 BBIBEWFLADSSMB-XZERQRIDSA-N 601.538 3.878 50 10 KHGE biogenic COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)C[C@H]1SC(=O)N=C1O 254376435 XATCTORQKJNVFS-QGZVFWFLSA-N 514.541 3.566 50 10 KHGE NNC(=O)c1cc(COc2c(I)cc(I)cc2I)cs1 701916664 DLQHADHRCDZCHV-UHFFFAOYSA-N 625.995 3.744 50 10 KHGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 1084378500 UIPTXCCFBUEIHA-UHFFFAOYSA-N 502.442 3.510 50 10 KHGE CCN(CC)C(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084561707 WLHMUKKIJFHBQW-UHFFFAOYSA-N 545.061 3.951 50 10 KHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720253 KBIRZFZNQJJABI-UHFFFAOYSA-N 593.633 3.999 50 10 KHGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1I 59152890 VGCJDFBVGLINBF-MNVTYAKESA-N 511.319 3.926 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccccc1Cl 100076993 XZTXFCALDQOBNU-UHFFFAOYSA-N 521.618 3.580 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615049 XZNPBQBZHPYGBW-PNQUVVCRSA-N 540.367 3.791 50 10 KHGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(Br)cc1 216782829 CIZSKJRADGRJKW-YPKPFQOOSA-N 525.812 3.581 50 10 KHGE CCOc1cc([N+](=O)[O-])cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 254806464 TVWLONIYUHXNJH-UBWVAHFOSA-N 517.542 3.686 50 10 KHGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1 254825077 ZRGRMWXHMJMOOP-UHFFFAOYSA-N 593.633 3.999 50 10 KHGE O=C(NC[C@H](Br)CBr)c1ccc(Br)cc1I 1995286206 QFVAULCINXSLKO-SSDOTTSWSA-N 525.804 3.942 50 10 KHGE CCN1CC[C@H]([C@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2089522971 LXDLHDMGPPYPHO-VXGBXAGGSA-N 523.028 3.914 50 10 KHGE O=C(NC[C@H]1C[C@H](CBr)CO1)c1cc(I)ccc1Br 2101336263 GMVFNOUNAVDBTI-PSASIEDQSA-N 502.972 3.584 50 10 KHGE C[C@@H](Br)[C@H]1CN(C(=O)c2ccc(I)c(Br)c2)CCO1 2117513343 DUBUJULMSPQMRV-PRHODGIISA-N 502.972 3.678 50 10 KHGE Cc1sc(CNC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2285010594 RGYWSSJSSZNUOV-DEOSSOPVSA-N 520.460 3.614 50 10 KHGE CC1=C(Br)C(=O)[C@](C)(Br)[C@H](Br)C1=NS(=O)(=O)c1ccccc1 2297463840 OPWIFPBMJSZQCX-TZMCWYRMSA-N 514.033 3.985 50 10 KHGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 2314737160 PJKJECPYEPTRNE-UHFFFAOYSA-N 523.545 3.900 50 10 KHGE N#CC(=CNc1ccc(S(=O)(=O)O)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324598965 SNLVCESIJWUGQV-UHFFFAOYSA-N 502.596 3.686 50 10 KHGE O=C(NCC(F)(F)C(F)(F)CI)c1ccccc1I 2336536002 HAXYJHDKQFUFCW-UHFFFAOYSA-N 500.999 3.727 50 10 KHGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c1 13976166 SWWDNHHXUNFFDK-UHFFFAOYSA-N 516.417 3.699 50 10 KHGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)c1 14644848 YVCHJPUHUVSXJE-UHFFFAOYSA-N 511.385 3.665 50 10 KHGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 41012459 KMURQIWLUZMGBO-OJNBDAIYSA-N 506.555 3.877 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100103003 PTWJNDRAQRQFDQ-UHFFFAOYSA-N 551.644 3.588 50 10 KHGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCOCC3)c2)C1 101014159 OVKWUWUKHHJZHJ-LHZDPGHSSA-N 559.692 3.972 50 10 KHGE COc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1O 1084045061 HCHZXFZJFQAHQY-UHFFFAOYSA-N 532.416 3.893 50 10 KHGE CC(C)Oc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)cc1 1858959653 YSJMGUKPVTUCGH-UHFFFAOYSA-N 531.518 3.928 50 10 KHGE CCOC1(CBr)CN(C(=O)c2ccc(Br)cc2I)C1 2142287601 DXNHIHADDDHTRV-UHFFFAOYSA-N 502.972 3.680 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(Cl)cc(N)c1Br 2181746431 XMCNMBUQZWUPDB-UHFFFAOYSA-N 520.924 3.869 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2285028737 CQWGUKZPBXFENT-IQGLISFBSA-N 520.460 3.901 50 10 KHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1OC 100083762 PECALFWWTGUUIW-XYOKQWHBSA-N 544.427 3.734 50 10 KHGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1Br 100183856 CEWZJJLSUKOTHL-UHFFFAOYSA-N 533.160 3.926 50 10 KHGE C[C@@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 253568348 LCKVLAIZSMUTCT-OAHLLOKOSA-N 576.464 3.912 50 10 KHGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cc(Br)ccc1O 1084018962 KYRNQDRVOGRXRZ-UHFFFAOYSA-N 500.422 3.960 50 10 KHGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772746831 HFBDTGPKKSDBOA-UHFFFAOYSA-N 504.499 3.934 50 10 KHGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc(C(=O)OCCOC)c1C 2331123684 FYIQEVWBODESPK-UHFFFAOYSA-N 516.572 3.607 50 10 KHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811741 NHVPDJGFOFEDKQ-LGUFXXKBSA-N 501.425 3.987 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1I 100098952 ZBAMLZILPZCXEV-UHFFFAOYSA-N 558.401 3.801 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1 100237486 MHMLYDDYJIQEFC-CBVHTYNASA-N 594.187 3.964 50 10 KHGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1 104432449 NNTMPGJOLNZJIJ-UHFFFAOYSA-N 564.453 3.770 50 10 KHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1 252616176 JYKOCHRARDNSDZ-UHFFFAOYSA-N 523.611 3.901 50 10 KHGE COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1 254403851 QNEBJINZRYPXPX-UHFFFAOYSA-N 556.461 3.899 50 10 KHGE O=C(NCC[C@H]1COC[C@H]1Br)c1ccc(Br)cc1I 2142286807 IGJHIJSOBKGUSA-GZMMTYOYSA-N 502.972 3.584 50 10 KHGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 2313860866 UDRLKQZHIIBXML-UHFFFAOYSA-N 529.372 3.625 50 10 KHGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 2314793025 KMURQIWLUZMGBO-UHFFFAOYSA-N 506.555 3.877 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 14031766 KBVAIIWYPGONCW-CYBMUJFWSA-N 502.390 3.714 50 10 KHGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 14645994 PYOAUDVJTSOCSM-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 14668707 XAPJLRQIPKLPMS-UHFFFAOYSA-N 515.227 3.948 50 10 KHGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOC)c(Br)c2)cc1 100201988 NGRCPFSTRKRDMV-OAHLLOKOSA-N 538.464 3.702 50 10 KHGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@@H]3CCCO3)c2)C[C@@H](C)O1 2314475819 CTPXKAKBZPVSMY-XXAUWVGASA-N 575.691 3.539 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1F 2381160353 AEBSCWIUZFBNFD-AKJBCIBTSA-N 504.367 3.706 50 10 KHGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 100079892 YRXWALRHVONIIM-LLVKDONJSA-N 535.247 3.933 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(CC)cc2Br)c(Br)c1 100086953 WJKJOAFVUNLIEC-UHFFFAOYSA-N 573.307 3.816 50 10 KHGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(I)c1 100150541 OLHMCUATRDXMOL-UHFFFAOYSA-N 541.411 3.818 50 10 KHGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869779 YYNQRSPSVFQGNT-KCSSXMTESA-N 608.604 3.899 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/NC(=O)Nc1ccccc1I 108883221 MWUCUMBOENSULU-SFQUDFHCSA-N 512.307 3.706 50 10 KHGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 252613217 IZNLXXLZTCUWMS-UHFFFAOYSA-N 523.611 3.923 50 10 KHGE COC(=O)COc1cccc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 1084177872 LWWFMGTXSKAJCF-MHZLTWQESA-N 503.580 3.777 50 10 KHGE COc1ccc(Br)c(C=NNC(=O)CCCC(=O)NN=Cc2cc(OC)ccc2Br)c1 1565517877 ODIMJARIHUNHQB-UHFFFAOYSA-N 554.239 4.000 50 10 KHGE CN1C(=O)[C@@H](NC(=O)N[C@@H]2CC[C@H](C(=O)O[Si](C)(C)C)C2)N=C(c2ccccc2F)c2ccccc21 1887622014 XTPBDXRYUTWWJD-YGKZAACZSA-N 510.642 3.812 50 10 KHGE CN1CCC[C@@H]([C@H](Br)c2cc(Br)ccc2I)S1(=O)=O 2089530237 FLBCZJGKGASMKS-NWDGAFQWSA-N 523.028 3.914 50 10 KHGE Cc1cc(CN(C)C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2285015991 IJKOUYSEPZJIAF-VWLOTQADSA-N 520.460 3.648 50 10 KHGE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/NNC(=O)C12CC3CC(CC(C3)C1)C2 100149317 BXBZXOMOMKDWLL-XDHOZWIPSA-N 504.372 3.735 50 10 KHGE O=C1C(NNC(=O)c2cccc([N+](=O)[O-])c2)=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)C2=C1CC=CC2 101081059 NXWNEWNEVWVRDW-OOAXWGSJSA-N 557.382 3.535 50 10 KHGE CC1(C)CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H](CBr)O1 164339697 KXIWROMADYLWNW-JTQLQIEISA-N 506.054 3.775 50 10 KHGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 214434830 SVNJIQHTWKNPAU-XYGWBWBKSA-N 555.547 3.619 50 10 KHGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCn3ccnc3)c2)CC1 2314476584 RFSXQMFAPIMFGA-UHFFFAOYSA-N 641.754 3.813 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C 2350363792 QLAIDSDPKIZCCP-NYHFZMIOSA-N 507.719 3.971 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](Br)C(F)(F)CC1 2364215690 VXDVBNACGFQQTK-KRWDZBQOSA-N 507.397 3.667 50 10 KHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)cc1 100081528 PVGQYKMRYBNJGR-UHFFFAOYSA-N 586.306 3.973 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214431769 GGJZOGVMGDRXRV-ONUIUJJFSA-N 540.576 3.720 50 10 KHGE O=C(NN=Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(C(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 254294331 IVRYXVFDMQNGHQ-UHFFFAOYSA-N 750.724 3.809 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 9696152 DINPPMIARHWSJL-UHFFFAOYSA-N 514.401 3.986 50 10 KHGE CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2/C=C(/C#N)c2nn(CCO)c(N)c2C#N)CC1 33247230 JHVKTLCKUJBBQF-BKUYFWCQSA-N 518.622 3.774 50 10 KHGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCC(=O)N1CCCCC1 40947740 LSMHKKQFOLWTLI-CVKSISIWSA-N 525.656 3.847 50 10 KHGE COc1ccc(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@H]3C)[C@]64OO5)CC2)cc1 253624509 AXISLXOLACSPOR-UZJOHZIPSA-N 558.672 3.875 50 10 KHGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O 1083852524 BCMHPVIBOGUZGX-UHFFFAOYSA-N 516.417 3.626 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1OC 1084008306 OTEKZPSUGPQJGQ-UHFFFAOYSA-N 509.584 3.614 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2269569130 XVBLLFMGROXHSF-VWLOTQADSA-N 506.795 3.912 50 10 KHGE Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1C=C(C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296347513 KXENGAFLEVSSTA-JOCHJYFZSA-N 504.612 3.845 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@H]2OCC[C@@]2(CBr)C1 2296361552 RXROVKJLINJLQR-TZMCWYRMSA-N 514.983 3.680 50 10 KHGE O=C(CCCNC(=O)c1ccccc1Cl)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 100869540 ZCSNDRXCRCSBKL-UHFFFAOYSA-N 542.615 3.848 50 10 KHGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)c(O)c1 104769496 JGVWIGNCYBQNMH-CVKSISIWSA-N 546.495 3.996 50 10 KHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 206608499 GVSFEJUXQAVZJD-ZROIWOOFSA-N 503.540 3.504 50 10 KHGE Nc1c(I)cc(I)c(CBr)c1I 238575289 ALZRMSHXGOBJOP-UHFFFAOYSA-N 563.740 3.978 50 10 KHGE COc1cc(OC)c(-c2nc3ccc(Br)cc3c(-c3ccccc3)[n+]2CC(=O)NN)cc1OC 1083842737 WUMBXDBKBNKOJX-UHFFFAOYSA-O 524.395 3.635 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cnn(CC)c1 1084601431 YAEZNMVSJBRCKH-OAHLLOKOSA-N 564.457 3.528 50 10 KHGE O=C(N[C@H](CC[S@](=O)C[C@@H]1C[C@H]1Br)C(=O)O)OCC1c2ccccc2-c2ccccc21 1877473091 PQTQHOGUSYSKEM-MSEMVBDXSA-N 506.418 3.901 50 10 KHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)CC[C@@H](CBr)CC1 2178582472 HXFMRTWRZYDEFJ-GGYDESQDSA-N 503.434 3.522 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CC[C@]2(C[C@@H](Br)CO2)C1 2207266957 IPURMMRCVVHLNF-YGRLFVJLSA-N 514.983 3.822 50 10 KHGE COc1cc2ccccc2cc1C(=O)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59165912 HLXYAMAQAYVNCA-ZXPTYKNPSA-N 518.529 3.625 50 10 KHGE COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O 59464011 BCMHPVIBOGUZGX-DHRITJCHSA-N 516.417 3.626 50 10 KHGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Br)ccc1OCCc1ccccc1 100313612 FQROFPOPGIKRHM-NRFANRHFSA-N 536.426 3.880 50 10 KHGE CCN1C(=O)/C(=N/NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(CC)c3ccc(OC)cc32)c2cc(OC)ccc21 100870124 GTQDINHWDZQZTO-FFUAXAOHSA-N 590.681 3.508 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(O)c(OCC)c2)cc1 725424754 NMWFFSKLOAQVER-SFHVURJKSA-N 512.344 3.758 50 10 KHGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCOCC3)c2)C1 1554268874 OVKWUWUKHHJZHJ-NHNPKLJZSA-N 559.692 3.972 50 10 KHGE CCO[Si](CCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)(OCC)OCC 1857791847 BVPATRYMIHMPFW-UHFFFAOYSA-N 755.982 3.841 50 10 KHGE O=C(COc1ccc2ccccc2c1)NNC(=O)COc1ccc(Br)cc1Br 12584321 PQWIIIHMAGTWFZ-UHFFFAOYSA-N 508.166 3.970 50 10 KHGE C[C@@]1(CBr)COCCN1C(=O)c1ccc(I)c(Br)c1 2112707595 GVMKNZFPQFNWCI-CYBMUJFWSA-N 502.972 3.680 50 10 KHGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2\C(=O)N(CC(C)C)c3ccccc32)c1 6171081 CAFSQYBNYVZJPW-PNHLSOANSA-N 506.584 3.633 50 10 KHGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080730 BOTNQGWJUVGSAY-UHFFFAOYSA-N 606.724 3.993 50 10 KHGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1 100154566 ZAOOHBPQFHSGJB-UHFFFAOYSA-N 515.632 3.927 50 10 KHGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 101332745 QHEHSJZLUBRLFF-LFVJCYFKSA-N 529.622 3.792 50 10 KHGE Cc1cc(Br)c(S(=O)(=O)N2C[C@H](CBr)OC[C@@H]2C)cc1Br 155827118 VNJJIZUMBIBWLD-UWVGGRQHSA-N 506.054 3.693 50 10 KHGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)c1C#N 1084007575 YHJLXRSKUMOGSC-UHFFFAOYSA-N 550.484 3.555 50 10 KHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CC(c4ccccc4)c4ccccc4)c(=O)c23)C1 1860769852 JRKMECHSZBSZFD-GOSISDBHSA-N 500.624 3.952 50 10 KHGE C[C@H](Cl)CNC(=O)[C@H](C)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865891142 OOYWVQGMMCZMQT-WHFBIAKZSA-N 798.322 3.833 50 10 KHGE COc1ccc(Br)cc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2181751902 BSJJTWDGDAKFSX-UHFFFAOYSA-N 501.490 3.642 50 10 KHGE CCCOc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=C(C#N)C(=O)N2CCOCC2)cc1OC 2314795949 HMINHJQTIZWXIJ-UHFFFAOYSA-N 501.539 3.762 50 10 KHGE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2349650241 OHFGGNCVJLXWDY-WJONJSRFSA-N 507.719 3.971 50 10 KHGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 10295895 ZFWHQVSOZLTYTA-LBPRGKRZSA-N 514.829 3.994 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1ccccc1I 150387522 HZEFDRNEROPJSK-UHFFFAOYSA-N 613.069 3.531 50 10 KHGE O=C(NN=Cc1cc(Br)ccc1O)c1ccc(C(=O)NN=Cc2cc(Br)ccc2O)o1 254559101 XMEDISNLMXLMIX-UHFFFAOYSA-N 550.163 3.744 50 10 KHGE COc1cc(/C=C\C(=O)NN)cc(I)c1OCc1cccc(Br)c1 725434234 XYFBETXRLIAOPI-WAYWQWQTSA-N 503.134 3.644 50 10 KHGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3ccc(I)cc3)o2)c1C#N 1084382377 RKTUFJGIIFFOIC-UHFFFAOYSA-N 530.322 3.802 50 10 KHGE COc1ccccc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1858990998 KDQVLEROIXRNOS-UHFFFAOYSA-N 510.597 3.751 50 10 KHGE CC(C)([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@H]1C[C@@H]1Br 1991493212 ZQYXBVVQCIRCDA-PUCZYUMASA-N 536.444 3.955 50 10 KHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1ccc(Br)cc1I 2142284060 XVTUQSJDDAQCIO-NXEZZACHSA-N 502.972 3.726 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2269550787 STTSVJJZENVWMS-OSPHWJPCSA-N 506.433 3.559 50 10 KHGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1ccc(Br)cc1I 2279407029 IDNGJRKSTZHQIL-ONGXEEELSA-N 516.999 3.974 50 10 KHGE O=C(NN=Cc1ccc(N2CCOCC2)s1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 3325102 LVRDOHDTLVOZCP-UHFFFAOYSA-N 549.472 3.912 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2)cc1Br 14041453 GMSVYMLPSLVUHA-UHFFFAOYSA-N 508.438 3.905 50 10 KHGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1C 97986080 ZCDZRAXWRUAFGP-HKWRFOASSA-N 508.566 3.974 50 10 KHGE COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 1084379576 CMLKXPXFTSOBSP-GZTJUZNOSA-N 657.246 3.703 50 10 KHGE CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1554268800 LIHPGBDKBLDUNG-COIUQNELSA-N 503.628 3.859 50 10 KHGE O=C(CCn1ccc2ccccc21)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859008054 AWIRMFDMPPNFLA-UHFFFAOYSA-N 536.566 3.776 50 10 KHGE CCCCCCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770618 PVNHSGOLGCLYOZ-KRWDZBQOSA-N 516.689 3.715 50 10 KHGE C[C@@H]([C@@H](Br)c1ccc(I)c(Br)c1)S(=O)(=O)N(C)C 2029074537 LBVLRVQWPUVJKA-WRWORJQWSA-N 511.017 3.770 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C=Cc1ccccc1 2313607178 HOEOSIXUDLRBGC-UHFFFAOYSA-N 527.238 3.634 50 10 KHGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)=C(C#N)C1=O 2314611272 RXMPIECLYQMOCI-OAQYLSRUSA-N 585.686 3.951 50 10 KHGE CO[C@H]1[C@@H](CBr)N(Cc2ccc(I)c(Br)c2)C[C@H]1OC 2377355572 UQJDHJIRUPRUDN-MCIONIFRSA-N 519.015 3.663 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1Br 14647829 RJVPEFNJPNHVNQ-UHFFFAOYSA-N 500.802 3.606 50 10 KHGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 59475528 CRXQQJIVCZVXAU-MZJWZYIUSA-N 510.620 3.653 50 10 KHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(Br)cc3)cc2)c1 100081156 DGGRLOGOUDLOQM-UHFFFAOYSA-N 541.427 3.724 50 10 KHGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100291142 HCBVIIKNORHNDR-FPYGCLRLSA-N 547.656 3.979 50 10 KHGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 101335885 ZQNWJSRQDZHJHF-NLRVBDNBSA-N 573.675 3.808 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 101336679 XHKOLGBHDBNWMY-MTDXEUNCSA-N 609.664 3.946 50 10 KHGE COC(=O)c1ccc(C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)cc1P(c1ccccc1)c1ccccc1 199417442 ABJATKZPSPFIQY-IJDZGJQBSA-N 792.936 3.633 50 10 KHGE COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1OC 254592889 MXOAYWRWZSMPDP-UHFFFAOYSA-N 572.460 3.517 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCC#N)c(OC)c2)cc1 1084226632 DGXMOOIIPUUQIE-LJQANCHMSA-N 537.354 3.565 50 10 KHGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)CCN4CCCC4)CC3)nc(-c3cccnc3)n2)cc1 1868566377 ZBAVVRVKXHPBFW-UHFFFAOYSA-N 514.659 3.990 50 10 KHGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C(C)=C(C#N)C1=O 2314610496 IVVVQNCRERBIQZ-UHFFFAOYSA-N 529.622 3.792 50 10 KHGE COCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Br)cc(I)c1 2338888157 ZQPZTIIEXZPTEI-RWMBFGLXSA-N 505.972 4.000 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2366898640 XFNDLWVTCVKTRA-MQNRADLISA-N 508.330 3.537 50 10 KHGE COc1ccc(/C=C(/C#N)C(=O)Nn2c(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc3c2=O)cc1 34201536 HAISGLCQNJHFTM-UYRXBGFRSA-N 512.522 3.775 50 10 KHGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)NC(C)C)o2)cc1 725407521 KQEPVHWRFNBKJF-UHFFFAOYSA-N 531.034 3.607 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)cc(I)c2O)cc1 1083906506 OCHYYDGADSUIED-KRWDZBQOSA-N 594.187 3.964 50 10 KHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709835 HXTMAKAILAWGTR-SFHVURJKSA-N 517.395 3.987 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CC[C@@H](I)C1 1994507561 UFHFRUZMZPMSSQ-MRVPVSSYSA-N 505.919 3.703 50 10 KHGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2ccc(OCCN3CCOCC3)c(OC)c2)s1 2295347869 INUGLYMQNCEVDY-UHFFFAOYSA-N 513.616 3.752 50 10 KHGE COc1ccc(C=NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1I 2297710616 YNENAWWHZVJIFD-UHFFFAOYSA-N 527.362 3.698 50 10 KHGE COc1ccc(CN(C(=O)C=CC(=O)O)[C@@H]2CC(=O)N(c3ccc(OCCCCCCl)cc3)C2=O)cc1 2313528179 SRLVVUBITGILDP-HSZRJFAPSA-N 528.989 3.785 50 10 KHGE CO[C@@H]1CN(Cc2ccc(I)c(Br)c2)[C@H](CBr)[C@H]1OC 2377355573 UQJDHJIRUPRUDN-MGPQQGTHSA-N 519.015 3.663 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1Br 14647811 ALEPKNMRYZPCCF-UHFFFAOYSA-N 521.437 3.926 50 10 KHGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 14664783 KQTOPEUCDYXLAA-UHFFFAOYSA-N 500.802 3.604 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100201835 VPVLQQKNCPNKHU-LLVKDONJSA-N 565.273 3.884 50 10 KHGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@H]32)cc1 245316720 KHEGTAWXWOUTGY-OGXCTGJYSA-N 528.646 3.990 50 10 KHGE COC(=O)c1ccc(C=NNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 252609517 HTUFGDPHQUJWCX-UHFFFAOYSA-N 544.427 3.577 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3OCC(=O)O)nnc2-c2ccc(C)cc2)cc1 254514715 WUNVURFZQGLRER-UHFFFAOYSA-N 531.594 3.957 50 10 KHGE CS(=O)(=O)O[C@H]1[C@H](Br)[C@H](n2ccc(O)nc2=O)O[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 261493357 UVZKDSPZQUZHDS-SSUZURRFSA-N 613.486 3.921 50 10 KHGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(SC)cc2)cc1OC 1084004773 RCFWMWYUSIWBBL-UHFFFAOYSA-N 527.668 3.809 50 10 KHGE O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 1084389466 UFUHKJDBDPOUGV-UHFFFAOYSA-N 517.361 3.703 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2cccc(OCC(=O)OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 1084446516 LRNIEYNUDSNKOV-UHFFFAOYSA-N 571.677 3.705 50 10 KHGE COc1ccc(C(=O)NN=Cc2cc(Br)c(O)c(OC)c2)cc1I 1084613245 YTZLKJAQZKXBLG-UHFFFAOYSA-N 505.106 3.540 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867291203 JKWNNAVHULXGLO-QFIPXVFZSA-N 562.570 3.652 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=CNc1c(Br)cc([N+](=O)[O-])cc1Br 2314585827 WMNWKHRETARJTI-LBPRGKRZSA-N 540.168 3.803 50 10 KHGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCC(C)C 14667396 HCUJWDHLRPTBJK-UHFFFAOYSA-N 506.422 3.998 50 10 KHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 100081173 NAUWOAXIXMKXDK-UHFFFAOYSA-N 541.427 3.724 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)c(Br)c1 100086956 FYCZNALSNBXQAR-UHFFFAOYSA-N 579.698 3.907 50 10 KHGE O=C(NN=Cc1ccccc1[N+](=O)[O-])C1[C@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1 252625143 QEENFRZTOCFHLY-SJWXKMTISA-N 512.566 3.717 50 10 KHGE N#C/C(=C\c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084087016 DSRPJVOBSXHNRI-MHWRWJLKSA-N 643.219 3.615 50 10 KHGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751490 DHDWJRXVOKPNIR-UHFFFAOYSA-N 545.379 3.911 50 10 KHGE COc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 2328831310 VLUCLYSXCNQMDJ-NRFANRHFSA-N 510.591 3.871 50 10 KHGE CN1CCN(Cc2ccc(I)c(Br)c2)[C@@H](CCBr)C1 2349826014 DDUASODPAPKNRX-LBPRGKRZSA-N 502.032 3.955 50 10 KHGE Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1S(=O)(=O)NNC(=O)c1cccc(Cl)c1 2151982 NOCFWDNCLXNDSO-UHFFFAOYSA-N 505.426 3.819 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080697 PPTLFTNDFACVRI-UHFFFAOYSA-N 586.089 3.998 50 10 KHGE Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc(SC#N)c([N+](=O)[O-])c3)C2=O)ccc1Br 110279190 SEEPFPZBHYVTJT-MDWZMJQESA-N 502.306 3.818 50 10 KHGE O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1F 252622006 NMJDFJZJOMGUKA-UHFFFAOYSA-N 504.381 3.929 50 10 KHGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)NCc3ccc(CN4CCOCC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253624530 MMHLVMZAJQWPKO-RTKBYPSJSA-N 572.699 3.666 50 10 KHGE BrCc1c(-n2cnc(I)c2I)nc2sccn12 304408889 NWIBHJZJIHBDCF-UHFFFAOYSA-N 534.946 3.686 50 10 KHGE O=C(NCCOCCCI)c1cc(Br)ccc1I 2042202381 AHWAUDACMRRGGQ-UHFFFAOYSA-N 537.961 3.625 50 10 KHGE NNC(=O)CCCCCCOc1c(I)cc(I)cc1I 2363183146 XXMUAZKBSQPJHF-UHFFFAOYSA-N 614.003 3.820 50 10 KHGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 13976524 XKVPSIDFMPJSGZ-UHFFFAOYSA-N 508.438 3.669 50 10 KHGE C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1OCC 59464094 HTMKPZMWHIXWSG-OGLMXYFKSA-N 507.612 3.818 50 10 KHGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 100229667 SMUALYWKIKIFAV-UHFFFAOYSA-N 520.163 3.538 50 10 KHGE CC1(CC(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)OCCO1 102522431 VTOFLBOPQLNSEL-AMGFNICLSA-N 539.563 3.632 50 10 KHGE C[C@H]1C[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 169523231 YPDNOVWUTMHAKI-YADLPLBTSA-N 537.436 3.840 50 10 KHGE COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CN1CCN(c2ccc(F)cc2)CC1 254700375 QPTRMJQSSBUXGJ-UHFFFAOYSA-N 536.604 3.946 50 10 KHGE COc1cc(Br)cc(C=NNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c1O 1082989090 JLEVIWIOFCCEOO-IOKDGPQKSA-N 539.342 3.993 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1c(C)cc(Br)cc1C 12490193 JGCNRDFMSQVHBF-UHFFFAOYSA-N 500.187 3.742 50 10 KHGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC)c(Br)c2)cc1 14770988 VDEXSGXRBHHVAC-UHFFFAOYSA-N 507.410 3.536 50 10 KHGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br 100163954 QXHYLFNRFUWJSJ-UHFFFAOYSA-N 540.436 3.603 50 10 KHGE O=C(COc1ccc(Br)cc1)NNC(=O)c1cc(Br)c(Br)s1 101759639 LEAMXOPJGVRBSI-UHFFFAOYSA-N 513.005 3.876 50 10 KHGE Cc1oc(C(=O)NN)cc1COc1c(I)cc(I)cc1I 154936661 AICLWULETGMADL-UHFFFAOYSA-N 623.954 3.584 50 10 KHGE CCOC(=O)COc1ccccc1C=NNC(=O)/C(=C\c1cc(OC)ccc1OC)NC(=O)c1ccccc1 254513474 DQSMYSBYVKMNBR-ILEZOGQXSA-N 531.565 3.567 50 10 KHGE CO[C@H]1C[C@@](CBr)(NC(=O)c2cc(Br)ccc2I)C1 1899907644 SUVDGFOAVRLVHR-SWZMTVOYSA-N 502.972 3.726 50 10 KHGE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNNC(=O)C12CC3CC(CC(C3)C1)C2 2297549471 BXBZXOMOMKDWLL-UHFFFAOYSA-N 504.372 3.735 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2305167055 ZNFBQBYIABFKFB-QHCPKHFHSA-N 513.682 3.738 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 100203230 GVDUMYGSFYXHNL-UHFFFAOYSA-N 521.220 3.730 50 10 KHGE O=C(CCCO)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 105434158 OKRHOMGZHHXVKJ-JLQAJQFVSA-N 558.432 3.874 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)c1 214205856 PZOPFFMJNRRUEN-JLPGSUDCSA-N 529.622 3.792 50 10 KHGE CCN1C(=O)C(=NNC(=O)CCCCCCCCC(=O)NN=C2C(=O)N(CC)c3ccccc32)c2ccccc21 254806530 YHDDUYDBSQBLOF-UHFFFAOYSA-N 544.656 3.881 50 10 KHGE COc1cccc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1OC 1084011283 BMAUFEGKXFCJLZ-UHFFFAOYSA-N 532.416 3.812 50 10 KHGE Cc1cccc(COc2c(Br)cc(C=NNC(=O)CN3CCOCC3)cc2Br)c1 1084072877 LQJUUTGIDJRPSO-UHFFFAOYSA-N 525.241 3.881 50 10 KHGE O=C(CCc1ccccc1Br)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860769840 JLDQJQZWHXYWDT-UHFFFAOYSA-N 511.401 3.668 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CCOC[C@H](CBr)C1 2098237102 KJXCHORWYDRMET-SECBINFHSA-N 502.972 3.537 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CC[C@H](OCCBr)C1 2109128725 SJCFCQNOMFFRID-JTQLQIEISA-N 502.972 3.680 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1Br 14771009 KZAOSFUGUFIWOO-UHFFFAOYSA-N 515.227 3.868 50 10 KHGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814622 HFBDTGPKKSDBOA-VFCFBJKWSA-N 504.499 3.934 50 10 KHGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C=N[C@@H]4C(N5C(=O)c6ccccc6C5=O)=NC=N[C@@H]43)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 254514227 RSALMWXDDHSQLZ-AEKFCERISA-N 641.874 3.804 50 10 KHGE CC(=O)NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1 1084050636 NKQSDLBMHIYPRK-UHFFFAOYSA-N 520.108 3.945 50 10 KHGE Cc1ccc(-n2c(C)cc(C=NNC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084528195 XDDMKAGMDJPYII-WJOKGBTCSA-N 633.796 3.925 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](OCCBr)C1 2109128726 SJCFCQNOMFFRID-SNVBAGLBSA-N 502.972 3.680 50 10 KHGE O=C(NC[C@H]1C[C@@H](CBr)CO1)c1ccc(Br)cc1I 2142284537 DPCPGMDZPVLZHU-WCBMZHEXSA-N 502.972 3.584 50 10 KHGE C[C@H](Br)COCc1cn(-c2cc(Br)ccc2I)nn1 2278383264 RGASEPDUSDJNBD-QMMMGPOBSA-N 500.960 3.934 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@H]2OCC[C@@]2(CBr)C1 2296392768 QTPYJAOCNLKPJV-TZMCWYRMSA-N 514.983 3.680 50 10 KHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14041905 IKQZUBCHPMUSMZ-UHFFFAOYSA-N 504.612 3.852 50 10 KHGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c(Br)c1 100132879 RDQKQJTVLXIUOQ-UHFFFAOYSA-N 564.502 3.759 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597496 ARGWMKZCIQDLJZ-NLRVBDNBSA-N 509.906 3.695 50 10 KHGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254555396 NROUDUBQSXBQCN-UHFFFAOYSA-N 519.554 3.592 50 10 KHGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(OC2CSC2)cc1)S(=O)(=O)c1ccccc1 1084562645 ASUVQOOCSBAKEQ-UHFFFAOYSA-N 525.652 3.843 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)[C@H](Br)C2CCCC2)C1 2250347143 ZEXADAOPADOGKG-QGZVFWFLSA-N 504.466 3.913 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1 2349642802 RBKVVVKUTOTNBZ-QFIPXVFZSA-N 507.719 3.973 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl 12570119 ZYDVXRSBOYBFMO-NSHDSACASA-N 517.822 3.855 50 10 KHGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1Cl 14650317 ZWGGWBFVVJOEEN-UHFFFAOYSA-N 514.829 3.996 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 100132871 RKWHHZYUQITUIF-UHFFFAOYSA-N 550.475 3.505 50 10 KHGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1083943504 XHMZRLZFLPYOSS-UHFFFAOYSA-N 556.597 3.746 50 10 KHGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865710448 YHSDKCQFCOFOGP-GOSISDBHSA-N 517.395 3.987 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2207266956 IPURMMRCVVHLNF-QMTHXVAHSA-N 514.983 3.822 50 10 KHGE CCc1nc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282030119 ATFSOZXRXSFBIT-UHFFFAOYSA-N 517.548 3.641 50 10 KHGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc(OC)c1O 2294217737 FIJZUGHJQQQRED-UHFFFAOYSA-N 506.534 3.536 50 10 KHGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C=Cc1cc(Br)c(OC)c(OC)c1 2314795762 OGOAEEYUQMZBRJ-UHFFFAOYSA-N 557.397 3.859 50 10 KHGE CCC(=CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321381467 HIHVABIOIUEUPT-IBGZPJMESA-N 504.406 3.940 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC)cc2)cc1Br 14647783 SQZCAKWFQZMJKI-UHFFFAOYSA-N 507.410 3.536 50 10 KHGE CN(C)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1 58988541 NGBPSECOIPIDBP-ZVHZXABRSA-N 502.442 3.510 50 10 KHGE O=C(Cc1cccc2ccccc12)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59153697 UHLHWIQGOOTTKC-QVAGMWBUSA-N 502.530 3.546 50 10 KHGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 100082584 MBTBIYRSXRXZPR-UHFFFAOYSA-N 582.230 3.988 50 10 KHGE COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c(=O)c1C#N 103786303 PMVBBLFHNAJTFA-XKJRVUDJSA-N 598.410 3.583 50 10 KHGE CCOc1cc([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCCN1CCOCC1 105829725 SBDIEORNGKOQKE-IZEXYCQBSA-N 608.699 3.858 50 10 KHGE CC(C)(C)OC(=O)N1CCN(/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 216511915 FWBBZUVXIANNAQ-RWEWTDSWSA-N 515.658 3.880 50 10 KHGE O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)NNC(=O)C1CCC1 253563804 FVELAVRRESBNQS-UHFFFAOYSA-N 562.437 3.524 50 10 KHGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)[C@H](O)C(=O)C(C)=C([C@H](OC(C)=O)C(=O)[C@@]21C)C3(C)C 503956926 OWYICONKDDFJMF-FSVOTZSWSA-N 714.881 3.861 50 10 KHGE COc1cc(/C=C\C(=O)NN)cc(I)c1OCc1ccc(Br)cc1 1081478554 IPSGTOCSFACCLX-DAXSKMNVSA-N 503.134 3.644 50 10 KHGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1OC 1084175911 HQRSSBTWHPFOAW-UHFFFAOYSA-N 546.443 3.808 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3Br)cc2OC)cc1OC 1772720697 WFNSVUXYYAGHGW-UHFFFAOYSA-N 570.396 3.574 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772746219 AGSLOTJEBGVGQW-UHFFFAOYSA-N 537.445 3.540 50 10 KHGE Cc1ccc(CCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1859004543 AJNSUSXAQDTOIJ-UHFFFAOYSA-N 511.556 3.672 50 10 KHGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1cc(Br)ccc1I 1878683578 CPXCVEJUAIRAAH-PRHODGIISA-N 502.972 3.584 50 10 KHGE O=S(=O)(Nc1ccc(I)c(Br)c1)N1CCC(Br)CC1 2105893831 ROIYIGRIJRUUOM-UHFFFAOYSA-N 524.016 3.570 50 10 KHGE C[C@H](Br)CN1CCN(C(=O)c2cc(Br)ccc2I)CC1 2170216047 MGHFPNUSUJGVKR-JTQLQIEISA-N 516.015 3.595 50 10 KHGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(Br)cc1I 2207261768 NAPGCMVFVYQGAI-QWRGUYRKSA-N 516.015 3.593 50 10 KHGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2295523533 ALYZLAVIQXMVAG-UHFFFAOYSA-N 508.582 3.874 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 2378007689 UKUXCMGRWILLIM-XARZLDAJSA-N 519.730 3.973 50 10 KHGE COc1cc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 18200240 RBRDCLJCYBTNNE-JBEBIEQOSA-N 522.554 3.947 50 10 KHGE COc1ccc(/C=C(\C#N)C(=O)Nn2c(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc3c2=O)cc1 27527646 HAISGLCQNJHFTM-CPNJWEJPSA-N 512.522 3.775 50 10 KHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 102855685 RPLCUHORCSFTBG-MJLBXUHQSA-N 511.401 3.512 50 10 KHGE COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 1084627578 IRAIYHXXLQKHBV-RQZCQDPDSA-N 512.360 3.757 50 10 KHGE COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)Nc2ccc(OC)cc2OC)c(OC)c1 16042132 ZSHFDZHUUGOMJU-TUJXVDMFSA-N 506.559 3.604 50 10 KHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 254874050 BVRXZCBEEALVCH-RMUJMMJOSA-N 519.554 3.651 50 10 KHGE C[C@H](Oc1c(F)cccc1C=NNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159566 MCVZJUDDIXIXQJ-LBPRGKRZSA-N 525.967 3.957 50 10 KHGE Cc1nc(-n2cnc(I)c2I)sc1CBr 1960043304 BUYXBEYNLSLUSU-UHFFFAOYSA-N 509.936 3.741 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178080901 ANLXKUURZBHOMU-KDDOJWQBSA-N 514.983 3.536 50 10 KHGE N#CC1=C(N)n2c(s/c(=C/c3ccc(F)c(Br)c3)c2=O)=C(C#N)[C@H]1c1ccc(F)c(Br)c1 1825831 PUOZOMGAPHEDSW-FUVWNOQGSA-N 576.220 3.664 50 10 KHGE COc1ccc(NCc2nnc(SCC(=O)NNC(=O)c3ccc(F)cc3)n2-c2ccccc2)cc1 20922824 HMAGFCPLAZLCMW-UHFFFAOYSA-N 506.563 3.580 50 10 KHGE O=C(OC(c1ccccc1)c1ccccc1)C1=C(CCl)CO[C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N12 196240443 JIZOONXWVOABDX-CUNXSJBXSA-N 502.954 3.809 50 10 KHGE O=C(NN=Cc1cc(Br)ccc1O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 252604359 FZBLLIZYIUDSND-YZSJSIEMSA-N 509.316 3.984 50 10 KHGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084408176 SFITUPYEWSWMDE-UHFFFAOYSA-N 523.414 3.793 50 10 KHGE Cc1cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2267233220 ZXPOWUWGXVRSMP-UHFFFAOYSA-N 502.533 3.992 50 10 KHGE COCCN(C[C@@H](C)Br)C(=O)c1ccc(Br)cc1I 2272468531 YIMXRPZDQMAURL-SECBINFHSA-N 504.988 3.926 50 10 KHGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cccc(Br)c3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642450 GDAPGKILSITURB-ZDYWHOCYSA-N 601.538 3.878 50 10 KHGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCn3ccnc3)c2)C[C@@H](C)O1 2314476908 XURPPIWKVWFAJA-DNQXCXABSA-N 599.717 3.647 50 10 KHGE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349654039 GSYVEXZHLHAVJQ-DMPWYTOCSA-N 507.719 3.971 50 10 KHGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 100079898 ASLADPAFAOMSGA-JTQLQIEISA-N 521.220 3.624 50 10 KHGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)c1 100081515 XDWVAATUHSGAJS-UHFFFAOYSA-N 600.333 3.956 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 100201726 VBHWZOSUDONHFE-UHFFFAOYSA-N 558.454 3.856 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c(C(C)C)cc1Br 104803722 MBVXJRPTMIAAQD-UHFFFAOYSA-N 547.475 3.944 50 10 KHGE N=C1O[C@@H](c2ccccc2Cl)C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)/C1=N/NC(=O)c1cccc([N+](=O)[O-])c1 139124148 PJHBECCWIORYHA-MGUGAEABSA-N 549.887 3.777 50 10 KHGE CC[C@H](NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc2c(c1)CCCC2 217193883 FKOPRSWVOIKCNN-ZKKRPBSMSA-N 506.672 3.855 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1cc(Br)ccc1OCc1ccc(Br)cc1 1084491778 WBUHVAMHJPFMLH-UHFFFAOYSA-N 511.214 3.573 50 10 KHGE C[C@@H](N=C=O)c1cc(I)cc(I)c1I 1951523161 CRWLUBKVVWJURT-RXMQYKEDSA-N 524.865 3.897 50 10 KHGE COCCN1C[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349858324 WCQIBMKFTMOQOC-WCQYABFASA-N 503.016 3.938 50 10 KHGE COc1ccc(OCC(=O)N/N=C/c2ccc(OC)c(OC(=O)c3ccc4c(c3)OCO4)c2)c(Br)c1 3025408 JUYUZGFNTFBEPG-KKMKTNMSSA-N 557.353 3.943 50 10 KHGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 38659809 DZQRQKPCSCMFOW-VWLOTQADSA-N 503.467 3.815 50 10 KHGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100079960 RRWKBCATZLFRSM-LLVKDONJSA-N 535.247 3.933 50 10 KHGE CCOCCOc1cccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 100248163 BDMBJKYSUVZZGW-UHFFFAOYSA-N 530.213 3.775 50 10 KHGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207185041 KMURQIWLUZMGBO-OUARTGLZSA-N 506.555 3.877 50 10 KHGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cc(Br)c(O)c(Br)c1O 1772760592 XDDXKHVBAGASDW-UHFFFAOYSA-N 500.172 3.742 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858957604 IHKVRCONCHXQEO-UHFFFAOYSA-N 520.523 3.793 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CCO[C@H](CCBr)C1 2116239656 VUHDCCRPGRUOAA-SNVBAGLBSA-N 502.972 3.680 50 10 KHGE CC[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2163054029 SVRNEIFTRFLZJP-VQTJNVASSA-N 502.475 3.602 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 2349648894 CKZSTTQGXVCSJO-WJONJSRFSA-N 505.703 3.725 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccncc1 105151705 NKCNFWBXJXMLRA-SQAVSUBZSA-N 547.426 3.707 50 10 KHGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc(OCC)c1OCC 206431110 YWMRIFRMTIGUSU-MOSHPQCFSA-N 512.559 3.780 50 10 KHGE Nn1c(SCC(=O)NN=Cc2cccc(Cl)c2Cl)nnc1-c1ccccc1Br 1084289383 YOKOHGIFASBFJG-UHFFFAOYSA-N 500.209 3.971 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1I 13977130 DBJXTMUDLLHIRP-UHFFFAOYSA-N 508.168 3.856 50 10 KHGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 101067380 LOFLHRDKNQVOAL-UHFFFAOYSA-N 532.402 3.853 50 10 KHGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 254612330 PUNKLCZAFUXRJK-UHFFFAOYSA-N 508.527 3.859 50 10 KHGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)c2)cc1 254620822 ZNIFTOZGDAUFNP-UHFFFAOYSA-N 502.552 3.815 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)c2ccc(F)cc2)cc1OC 254865751 SYHDGUSBRRDNML-UHFFFAOYSA-N 559.641 3.683 50 10 KHGE CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@@H](C)C[C@@H]2[C@H]3[C@H](Cl)CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 256072939 DJHCCTTVDRAMEH-MOMFSDPUSA-N 521.050 3.943 50 10 KHGE in-vitro CC(C)NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725419382 XVXJCSLNCJNVQJ-UHFFFAOYSA-N 571.099 3.627 50 10 KHGE O=C(CN1CCOCC1)NN=Cc1cc(I)c(OCc2ccc(I)cc2)c(I)c1 1083983363 QDCUKRIJAJVNEN-UHFFFAOYSA-N 731.110 3.862 50 10 KHGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)cc1 1084042914 QWHXKIFUSHADKR-UHFFFAOYSA-N 525.359 3.564 50 10 KHGE O=C(NC[C@H]1C[C@H](Br)CCO1)c1cc(I)ccc1Br 2097945213 JOSWKRPIQIAOTG-PSASIEDQSA-N 502.972 3.726 50 10 KHGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 2325903759 DJUVKRNNAOZIOS-UHFFFAOYSA-N 517.611 3.523 50 10 KHGE CSCC[C@H](NC(=O)N[C@@H](CCSC)C(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 5431421 UAMQNDYCCRCTJH-PMACEKPBSA-N 566.614 3.557 50 10 KHGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1Br 100199227 OLLASBVTFKPPGN-UHFFFAOYSA-N 562.227 3.790 50 10 KHGE O=C(NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OCCc2ccccc2)c(Br)c1 100212749 YYFRCFYYHOHGQJ-UHFFFAOYSA-N 543.399 3.928 50 10 KHGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCn3ccnc3)c2)C[C@@H](C)O1 101013877 XURPPIWKVWFAJA-MOXAGWRRSA-N 599.717 3.647 50 10 KHGE C/C(=N/NC(=O)c1cccnc1)c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(/C(C)=N/NC(=O)c3cccnc3)cc2)cc1 101468337 LZNDWEDTUUSYAC-AQJYXLCCSA-N 594.628 3.941 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 101492973 GXXNJKWBIPJXIM-UHFFFAOYSA-N 571.175 3.733 50 10 KHGE NNC(=O)c1ccc(COc2c(I)cc(I)cc2I)cc1 154935537 CUKOUPICLSAEAL-UHFFFAOYSA-N 619.966 3.683 50 10 KHGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3OC)cc2OCC)cc1 254567823 SYPFADFFEOKJNC-UHFFFAOYSA-N 505.527 3.801 50 10 KHGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 254756585 WDXVKQLLZQYEHL-UHFFFAOYSA-N 568.608 3.661 50 10 KHGE COc1ccc(/C=C2\SC(=O)N(CC(=O)Oc3ccc(C=NNC(=O)c4ccccc4O)cc3)C2=O)cc1OC 254840285 GPSDQQLJMDHNIW-WASFCTIJSA-N 561.572 3.815 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCC(=O)O)c(OCC)c2)cc1 1084251812 LUWQMRQGMRWCND-IBGZPJMESA-N 570.380 3.516 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750943 DHCXAXPJWNMZBV-UHFFFAOYSA-N 526.509 3.590 50 10 KHGE COCCN(C[C@@H](C)Br)C(=O)c1cc(I)ccc1Br 2272458704 AENLQWNPQOMZFY-SECBINFHSA-N 504.988 3.926 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1I 100098697 WIOIBXDZBTUMBA-UHFFFAOYSA-N 545.402 3.981 50 10 KHGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C\c2c(C)nn(-c3ccc(F)cc3)c2C)c1 102999010 STNNTTUKPFTSCO-NXVVXOECSA-N 563.611 3.912 50 10 KHGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)cc1CSc1nc2ccccc2o1 254546603 WFEZSZZYJBASDE-UHFFFAOYSA-N 602.681 3.815 50 10 KHGE COc1c(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254705800 COYLDJZXISWRBX-IBGZPJMESA-N 550.499 3.979 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCCN1CCOCC1 1865686777 ALHXPEHCLSDRCV-SANMLTNESA-N 536.032 3.831 50 10 KHGE Cc1nnc([C@@H](CC(=O)NCC(=O)Nc2ccc(SC#N)cc2)c2cccc(Br)c2)o1 1868156972 MRLDNUMOCVCTLX-SFHVURJKSA-N 500.378 3.991 50 10 KHGE O=C(NC[C@@H]1C[C@H](Br)CCO1)c1cc(I)ccc1Br 2097945214 JOSWKRPIQIAOTG-SCZZXKLOSA-N 502.972 3.726 50 10 KHGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 2140596192 VOPDEBLRWWGZAR-NRFANRHFSA-N 538.508 3.981 50 10 KHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1ccc(Br)cc1I 2142285233 NLCDMHQWAKWRPZ-WCBMZHEXSA-N 502.972 3.678 50 10 KHGE C[C@H](Br)C[C@@H]1CCCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2164503035 SMAYKWSEJOXWJK-CKJXQJPGSA-N 503.434 3.759 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2COC[C@@]2(CBr)C1 2234584109 XITLTJSLCFJVNT-LKFCYVNXSA-N 514.983 3.537 50 10 KHGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OC(C)=O 2297551347 CFWWOSZKKDQSQN-UHFFFAOYSA-N 521.267 3.987 50 10 KHGE C[C@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4cc(Cl)cc(Br)c4O)c(=O)c23)C1 2325904261 IKKGCYLSZYAAIK-JTQLQIEISA-N 509.813 3.855 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600316 TXDVZESDKRHXQB-NLRVBDNBSA-N 509.906 3.695 50 10 KHGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 254396774 FETHIJGMSGSSES-UHFFFAOYSA-N 563.607 3.991 50 10 KHGE N#Cc1ccccc1COc1ccc(C=NNC(=O)[C@H](O)c2ccccc2)cc1I 1084074438 VGCJDFBVGLINBF-JOCHJYFZSA-N 511.319 3.926 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084540272 GOOSXHWJMFCEDJ-UHFFFAOYSA-N 525.652 3.843 50 10 KHGE CC[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@H](CC)CN1C(=O)OCc1ccccc1 2163054030 SVRNEIFTRFLZJP-WOJBJXKFSA-N 502.475 3.602 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2285013086 CQWGUKZPBXFENT-CJAUYULYSA-N 520.460 3.901 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2OCC[C@]2(CBr)C1 2296359828 HZENYJLUWATCNM-OCCSQVGLSA-N 514.983 3.680 50 10 KHGE C=CCn1c(SCC(=O)N/N=C2\C(=O)Nc3ccccc32)nc2scc(-c3ccccc3)c2c1=O 9041501 NTKBCHRZYAUYJG-UHFFFAOYSA-N 501.593 3.876 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)cc1Br 100184661 VAEGWZYKRJXEOS-UHFFFAOYSA-N 592.253 3.800 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(I)c2)cc1 100235229 OKKKOGCKHIYJDM-HJJPONFSSA-N 605.223 3.880 50 10 KHGE N#C[C@@H](/C(=N/NC(=O)c1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 108649006 DRGJABDSOGMOLM-YJUJNHNASA-N 601.517 3.962 50 10 KHGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(=O)O)n2-c2ccc(OC)cc2)cc1 254378996 IGMPGESPACDCAB-UHFFFAOYSA-N 517.567 3.892 50 10 KHGE O=C(N/N=C1/C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccc(Br)cc21)c1ccc(Cl)cc1 504052079 IMLYPEAVWFNHIN-GHCLTFHUSA-N 580.870 3.822 50 10 KHGE CCOC(=O)COc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OCC 1084047118 NSPKUZIFZVJCFP-NRFANRHFSA-N 598.434 3.994 50 10 KHGE COc1ccc(OC)c(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1 1084125959 WTVQSDIKSIWYFI-UHFFFAOYSA-N 546.443 3.808 50 10 KHGE CC(C)([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)C[C@@H]1C[C@@H]1Br 1897190779 ZQYXBVVQCIRCDA-WVFSVQOHSA-N 536.444 3.955 50 10 KHGE C[C@H]([C@H](Br)c1cc(Br)ccc1I)S(=O)(=O)N(C)C 2029075442 QXNYOSJVNQNGEA-HQJQHLMTSA-N 511.017 3.770 50 10 KHGE COc1cc(/C=N/NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc2c1OCO2 2033817519 OTEANOCMLKYLPI-TWKHWXDSSA-N 500.599 3.671 50 10 KHGE C[C@]1(CBr)COCCN1C(=O)c1cc(I)ccc1Br 2112714377 WTUNYQFSEIWOMF-ZDUSSCGKSA-N 502.972 3.680 50 10 KHGE Cc1csc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267540852 ZSMOAIBZOFAJKT-UHFFFAOYSA-N 502.533 3.992 50 10 KHGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2268666451 JINFOHDLHSRQCN-NSYGIPOTSA-N 506.433 3.511 50 10 KHGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C 2314476833 WRCRIBZAXPFUBP-UHFFFAOYSA-N 649.733 3.904 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2366922478 XFNDLWVTCVKTRA-SGANQWHYSA-N 508.330 3.537 50 10 KHGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOC)c(Br)c2)cc1 100201995 NGRCPFSTRKRDMV-HNNXBMFYSA-N 538.464 3.702 50 10 KHGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 102858598 UTXXJQFEMQZOJB-DIBXZPPDSA-N 560.657 3.899 50 10 KHGE O=C(CBr)Nc1c(I)cc(I)cc1I 113301062 SYYSPZBIXCMZCE-UHFFFAOYSA-N 591.750 3.834 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)Cc2ccccc2)cc1OC 1084411473 FZUBMHXBSJDRRA-UHFFFAOYSA-N 622.744 3.873 50 10 KHGE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866805682 LWCGZUWWGWGQNY-VWLOTQADSA-N 568.652 3.887 50 10 KHGE O=C(NCC1CC(Br)C1)c1cc(I)cc(I)c1O 2076193097 GFUXXZUIKVKJKD-UHFFFAOYSA-N 535.945 3.505 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2CCO[C@]2(CBr)C1 2239896416 SSYZVPVCWMREIH-LKFCYVNXSA-N 514.983 3.680 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)cc1 58892703 BRFZJSZYKSODLR-ZMPUUUETSA-N 512.344 3.671 50 10 KHGE Cc1cc(COc2c(I)cc(I)cc2I)oc1C(=O)NN 154936411 XSAWKMOOKZVNGB-UHFFFAOYSA-N 623.954 3.584 50 10 KHGE COc1c(OC(C)=O)ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1[N+](=O)[O-] 254307624 HDMVWVFGZZAPTP-QPGKMSNZSA-N 545.552 3.516 50 10 KHGE Cc1ccccc1C(=O)/N=c1\[nH]nc(CC(=O)NN=Cc2ccc(OCCOc3ccc([N+](=O)[O-])cc3)cc2)s1 254484112 XVNVAGPJYBCOBT-UHFFFAOYSA-N 560.592 3.580 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084081478 LXWAHZGNSUJZQK-UHFFFAOYSA-N 515.975 3.813 50 10 KHGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 1084385071 RTUYWRVDFKYYNU-UHFFFAOYSA-N 546.443 3.808 50 10 KHGE O=C(NN=Cc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1)c1ccc(NC(=O)C2CC2)cc1 1084409274 PISXJVUJYHOXFB-UHFFFAOYSA-N 536.592 3.911 50 10 KHGE COc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)ccc1O 1084625399 JURJMTVPVADBEP-UHFFFAOYSA-N 548.415 3.518 50 10 KHGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301110708 IXPLDNQWZPGCBD-NRFANRHFSA-N 507.052 3.929 50 10 KHGE CN(C)C(=O)[C@@]1(C)CSS[C@@](C)(C(=O)N(C)C)CSS[C@](C)(C(=O)N(C)C)CSS1 12384506 KIYYDWQIWSKZSL-KURKYZTESA-N 531.882 3.685 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-] 40585234 XLHRKMBKNLJQAH-UHFFFAOYSA-N 507.290 3.555 50 10 KHGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812163 RCKVFBKSUNJNGB-XAYXJRQQSA-N 501.543 3.929 50 10 KHGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 101334115 VEGDFZUFHDZTCV-CHZJBYNNSA-N 585.686 3.951 50 10 KHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 101599645 IRTBDWTYPPOUNM-OVVQPSECSA-N 539.386 3.904 50 10 KHGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1cc(I)ccc1Br 235594466 KRFCNOZBFMNVEV-WCBMZHEXSA-N 502.972 3.678 50 10 KHGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)c1O 1865696636 PBDRJEYUGJKSMV-AWEZNQCLSA-N 508.254 3.981 50 10 KHGE COc1ccc(-n2nncc2C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866926789 YDKKBZXHXXMCSU-VWLOTQADSA-N 556.604 3.754 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)ccc1Cl 14668602 USHYKWMTZXAUMU-UHFFFAOYSA-N 514.829 3.913 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)c(Br)c1 100060047 LFCYQSOJMLQFSM-UHFFFAOYSA-N 576.254 3.892 50 10 KHGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1ccc(C)cc1[N+](=O)[O-] 207053421 BNQLXYYUFXSCGG-PDGQHHTCSA-N 522.539 3.684 50 10 KHGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccccc3F)[C@H]2C)c(OC)c2c1OCO2 254512574 ADUZNBAZZCQJMS-QLJPJBMISA-N 508.300 3.548 50 10 KHGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cc(I)ccc1O 1084326221 LROFULRPSADGCW-UHFFFAOYSA-N 514.326 3.757 50 10 KHGE COc1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1[N+](=O)[O-] 1084584604 UJOAOSQDLFJSSM-UHFFFAOYSA-N 516.963 3.987 50 10 KHGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746889 IGRJWSXEASFDKU-UHFFFAOYSA-N 518.526 3.959 50 10 KHGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)cc1 1866926089 DSRZMHIXDLHZCT-SIKLNZKXSA-N 517.698 3.831 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201763820 QIWOGUUYHWTNGK-YMTOWFKASA-N 514.983 3.822 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)c(B(O)O)cc1C 2283986072 OBPNGAHTBCFJER-CBZJRKILSA-N 500.404 3.875 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](C(F)(F)CBr)C1 2364215167 RNQMKGCESIHXSZ-OAHLLOKOSA-N 507.397 3.525 50 10 KHGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 12489478 QYQAHWFIYNUZHY-PKNBQFBNSA-N 506.422 3.695 50 10 KHGE Cc1cc(Br)c2c(c1)/C(=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)C(=O)N2C 101018398 YLOYJDPDDDANHZ-VXAGQZKWSA-N 562.380 3.934 50 10 KHGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccc(Br)cc4)c3[N+](=O)[O-])CC2)c1C 101067484 LUHPCJPDCOLBNL-UHFFFAOYSA-N 526.395 3.848 50 10 KHGE COc1cccc(C=NNC(=O)[C@@H](C)Sc2nnc(S[C@H](C)C(=O)NN=Cc3cccc(OC)c3OC)s2)c1OC 252631060 VHHRYNHMMAJZLZ-HZPDHXFCSA-N 618.763 3.834 50 10 KHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC)c(OC)c2)c2ccc(C)cc2)cc1 254747040 PVBKYDIWWIKICW-UHFFFAOYSA-N 511.600 3.757 50 10 KHGE N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084571589 GCEJLMTVBMRXJL-MHWRWJLKSA-N 596.219 3.773 50 10 KHGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=C1CCCc2c1no[n+]2[O-] 1565517711 XOUFNLSIXRGXQL-QHCPKHFHSA-N 617.450 3.742 50 10 KHGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2123210978 SAJMQBKAXYPQLH-HUUCEWRRSA-N 504.244 3.690 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)c2ccc(CBr)cc2)C1 2271987629 GMYBSDWCAHXIFC-UHFFFAOYSA-N 548.500 3.716 50 10 KHGE CCOc1ccc(NC=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c([N+](=O)[O-])c1 2314578973 GCGTWRMAOFJDOE-UHFFFAOYSA-N 506.515 3.758 50 10 KHGE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2351484811 JKFXAAUTFITHGT-KSFYIVLOSA-N 507.719 3.973 50 10 KHGE COc1cccc(/C(C)=N\NC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)c1 58991969 VQTRCQMXDFQBNP-OYKKKHCWSA-N 503.426 3.843 50 10 KHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101595488 BIKZXBAHKSHLLI-OVVQPSECSA-N 539.386 3.904 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2O)S(=O)(=O)c2ccc(Br)cc2)cc1 1083895572 DVVCOLQVTPTHIR-UHFFFAOYSA-N 532.416 3.899 50 10 KHGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1ccccc1O 1084021447 UTXWTFWFBUSWFA-UHFFFAOYSA-N 553.442 3.948 50 10 KHGE Cc1cccc(Cl)c1OCc1ccc(C=NNc2nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)o1 1084143326 ROKZHIKFSSVQND-CQSZACIVSA-N 520.015 3.669 50 10 KHGE O=C(c1cccnc1)N1CC[C@@H](I)[C@@]2(CCCN2C(=O)OCc2ccccc2)C1 1615152071 SULLWLHCRPHDFY-DENIHFKCSA-N 505.356 3.903 50 10 KHGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1915300159 MESACANBMARAPI-NRFANRHFSA-N 507.450 3.924 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178080900 ANLXKUURZBHOMU-DYLAAIIWSA-N 514.983 3.536 50 10 KHGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)CCC(CCl)CCl)CC1 2227916873 FTDVZLLQQBJEAK-UHFFFAOYSA-N 532.531 3.590 50 10 KHGE N#Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59153568 SEVABGRDDYPMPY-OLFWJLLRSA-N 503.356 3.809 50 10 KHGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 101615083 OOBRYRCNWSYVDA-VVEOGCPPSA-N 552.403 3.661 50 10 KHGE Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)CO)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)CO)c2c1O 150363128 ZEXBENSCFRXEJY-DCACQNQGSA-N 662.696 3.642 50 10 KHGE O=C(CCC(=O)Nc1ccc(I)cc1)NN=Cc1cccc(Br)c1 252597896 CVSBLTUGCVAVGM-UHFFFAOYSA-N 500.134 3.923 50 10 KHGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccc(SC)cc2)cc1 725418730 ZWDFYRIFUNPMAH-UHFFFAOYSA-N 527.624 3.851 50 10 KHGE O[C@@H](CBr)Cc1cc(I)cc(I)c1I 1952520848 RAIQNIZBEJWBOM-SSDOTTSWSA-N 592.778 3.799 50 10 KHGE O=C(c1ccc(Br)cc1I)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2207262117 PIBSDFWXRCHLIW-TVYUQYBPSA-N 514.983 3.821 50 10 KHGE CC[C@@](C)(NC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 2331922409 CHUXWMVVQZKKNI-XMMPIXPASA-N 500.646 3.837 50 10 KHGE CN1CCN(Cc2ccc(I)c(Br)c2)[C@@H](CCBr)C1 2349827932 DDUASODPAPKNRX-LBPRGKRZSA-N 502.032 3.955 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)ccc1Br 100087267 NJZRTDRVGAELLU-UHFFFAOYSA-N 565.671 3.653 50 10 KHGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccccc1I 100145550 AONOATROSKUKKI-ZDUSSCGKSA-N 519.364 3.547 50 10 KHGE CCOc1cc(/C=N\NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc(I)c1O 100991385 DSPJTDUCYBZUKT-ZBKNUEDVSA-N 564.130 3.595 50 10 KHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101595514 LTYXCEGCNYKPQN-ZXVVBBHZSA-N 523.387 3.825 50 10 KHGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)cc1 102864115 ORBLFZWBHZXJOM-CLCOLTQESA-N 511.607 3.668 50 10 KHGE O=C(CCl)c1cc(I)cc(I)c1I 575715090 RMYTVACEIJHBKN-UHFFFAOYSA-N 532.284 3.922 50 10 KHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(I)cc1 1083907584 QPWLLMWKWNKPDP-UHFFFAOYSA-N 557.816 3.705 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746651 YYQXLSMLSVMPIS-UHFFFAOYSA-N 509.906 3.695 50 10 KHGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)N/N=C/c1c(C(=O)O)[nH]c2ccc(Cl)cc12 1873496135 FISILWWKUQGMID-IPPBACCNSA-N 504.930 3.979 50 10 KHGE CN1CC[C@H]([C@@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2086149478 OJBYYTRGLCCDFP-MNOVXSKESA-N 509.001 3.524 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2COC[C@@]2(CBr)C1 2234559260 NZPJTCXNYNNFDC-QMTHXVAHSA-N 514.983 3.537 50 10 KHGE O=C(CCCNC(=O)c1ccccc1Br)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 100869562 XWYFDNQTNSQJQG-UHFFFAOYSA-N 587.066 3.957 50 10 KHGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccc(I)cc1 101560243 QNXMWDVYAZJRQY-UHFFFAOYSA-N 525.148 3.926 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 101825778 IKEWOWRMWRURAK-JJIBRWJFSA-N 524.529 3.746 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178085813 HRKKMEMZNAIMQE-CWSCBRNRSA-N 514.983 3.536 50 10 KHGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 2314476241 LIHPGBDKBLDUNG-BGYRXZFFSA-N 503.628 3.859 50 10 KHGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 2314738063 HMDBBXUOIQIPLI-UHFFFAOYSA-N 503.555 3.890 50 10 KHGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 13976696 ODHFGOPIMAUKAK-UHFFFAOYSA-N 511.947 3.758 50 10 KHGE O=C(NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-])c1ccc(Br)cc1 40647309 BNEZEFHYDZMYKB-UHFFFAOYSA-N 509.118 3.805 50 10 KHGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 101336031 PVPRGBDVOQDJBY-NLRVBDNBSA-N 573.675 3.808 50 10 KHGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNS(=O)(=O)c2ccccc2)cc1OC 254303311 UBWNKLHXHLJBNE-UHFFFAOYSA-N 547.589 3.505 50 10 KHGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCC(=O)O 1084215314 JUXFHBWGIMYZJL-LDADJPATSA-N 514.376 3.567 50 10 KHGE COc1ccc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(OC)c1 1084320254 CUDGNKCIDSQUEE-UHFFFAOYSA-N 532.416 3.812 50 10 KHGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686794 BBIPFYBUDSYQII-AREMUKBSSA-N 515.614 3.681 50 10 KHGE Cc1c(CC(=O)OC(C)(C)C)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 1887520209 JHCKXOGCTSKVAD-UHFFFAOYSA-N 501.388 3.944 50 10 KHGE COC[C@@](C)(CCBr)NC(=O)c1cc(Br)ccc1I 2101775909 FXGFMSFAEWNARB-CYBMUJFWSA-N 504.988 3.974 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CCO[C@@H](CCBr)C1 2116239655 VUHDCCRPGRUOAA-JTQLQIEISA-N 502.972 3.680 50 10 KHGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sc(C)cc1B(O)O 2283968769 GNDZLPMLKMSVOD-WGDIFIGCSA-N 520.460 3.648 50 10 KHGE Cn1nc(C(F)(F)F)c(CCl)c1-n1cnc(I)c1I 2339719451 QMHUTJRZXSOKJU-UHFFFAOYSA-N 516.430 3.573 50 10 KHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 12403546 JUEKSPFJQJWQCB-KPKJPENVSA-N 520.449 3.869 50 10 KHGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3Br)c(C)c21 101600925 XESPGZRTTSQQGQ-OVVQPSECSA-N 539.386 3.904 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 101604802 LGWOEKVESRRDHB-WPWMEQJKSA-N 500.342 3.835 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1 205779759 PEEYDNAWZGTUIP-UVKUDMKVSA-N 697.795 3.715 50 10 KHGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 206490302 BYXFTCYPILZZTF-RGEXLXHISA-N 548.552 3.797 50 10 KHGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]3OC4(CCCCC4)O[C@@H]23)cc1 230040919 KHEGTAWXWOUTGY-QSZPGENFSA-N 528.646 3.990 50 10 KHGE CCN(CC)c1ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(O)c1 254522545 DDODFARBHLVHDP-LNRIMROCSA-N 500.555 3.888 50 10 KHGE COc1cc(C=NNC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc(OC)c1OC 254841190 RTPXPPFPCXHXBA-GFCKTTFPSA-N 504.499 3.542 50 10 KHGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC)cc3OC)nc3ccccc3c2=O)cc1 254871994 KZENSJSGZJABBT-UHFFFAOYSA-N 534.594 3.663 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2269569128 XVBLLFMGROXHSF-RUZDIDTESA-N 506.795 3.912 50 10 KHGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(F)c(CBr)cc1F 2368917593 ZMFSFROLTDREQZ-UHFFFAOYSA-N 501.349 3.924 50 10 KHGE CCc1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)c(Br)c1 12490204 VTTWXGLPGSYINX-UHFFFAOYSA-N 514.214 3.996 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100228309 IGWLCJXPVKNPLM-SECBINFHSA-N 521.220 3.868 50 10 KHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)[C@H](Cc4ccccc4)c4ccccc4)c(=O)c23)C1 1865851902 JRGMWGYHCQBBEZ-XMSQKQJNSA-N 500.624 3.757 50 10 KHGE O=S(=O)(CI)Nc1c(I)cc(I)cc1I 1910156439 WHTDEQHKENELNU-UHFFFAOYSA-N 674.805 3.635 50 10 KHGE O=S(=O)(C[C@@H](Br)c1cc(Br)ccc1I)N1CCCC1 2089388240 AVQODGVARMSERZ-LLVKDONJSA-N 523.028 3.915 50 10 KHGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(I)c1O 2295483084 YZDFLUPMEZQYNX-UHFFFAOYSA-N 584.414 3.993 50 10 KHGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1ccccc1Br 40784954 JWKQBNGZVZBRIH-UHFFFAOYSA-N 511.167 3.642 50 10 KHGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOC)c(Br)c2)cc1 100202014 YCNMWGJRPZCBQO-UHFFFAOYSA-N 551.463 3.552 50 10 KHGE CCCOc1ccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1OCC 1083982791 LGKUUEVVAGCKGN-UHFFFAOYSA-N 512.426 3.553 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3[nH]2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859008553 GNHGFKXEMFRUIE-UHFFFAOYSA-N 526.502 3.665 50 10 KHGE COCCn1cc(/C=N/NC(=O)COc2ccc(C(=O)NCc3ccccc3)cc2)c2cc(OC)ccc21 1873496547 XOOAZFWUJHCIKR-FDAWAROLSA-N 514.582 3.755 50 10 KHGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1916366294 HWCNIKOJIWTIIY-LJQANCHMSA-N 537.476 3.551 50 10 KHGE O=C(NC[C@@H]1C[C@H](CBr)CO1)c1ccc(I)c(Br)c1 2101330692 DFNHYLGTMLVCNP-SCZZXKLOSA-N 502.972 3.584 50 10 KHGE CO[C@@H]1C[C@H](NC(=O)c2cc(Br)ccc2I)C[C@H]1Br 2130822742 MURFMJWXCVOHHH-HLUHBDAQSA-N 502.972 3.724 50 10 KHGE CN1CCC[C@@H]([C@H](Br)c2ccc(Br)cc2I)S1(=O)=O 2142285946 WVIFYTDZGGTXDS-NWDGAFQWSA-N 523.028 3.914 50 10 KHGE CO[C@H]1C[C@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2142287571 NSCIMGRAWSTFEE-ZJUUUORDSA-N 502.972 3.678 50 10 KHGE CO[C@]1(CBr)CCN(C(=O)c2ccc(Br)cc2I)C1 2142289005 NQCUOHDZAJUKBZ-ZDUSSCGKSA-N 502.972 3.680 50 10 KHGE Cn1ncc(I)c1Cn1c(CCl)nc2cc(I)ccc21 2189871383 CYDLGXVLABKGGQ-UHFFFAOYSA-N 512.520 3.766 50 10 KHGE COc1ccc2oc(=O)c(C(=O)Oc3ccc(C=C(C#N)C(=O)NCc4ccco4)cc3OC)cc2c1 2314774184 WULZDPUDTKXVRJ-UHFFFAOYSA-N 500.463 3.846 50 10 KHGE COc1cc(OC)c([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 2267549 XXJUEPVUAWEVSW-NVQXNPDNSA-N 525.565 3.775 50 10 KHGE COc1ccc(C(=O)NCCCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 100869910 CFUBOQZTEPBQSU-FDAWAROLSA-N 549.580 3.601 50 10 KHGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(OC)c1OC 254808278 OJVGQLVESYEEAM-UHFFFAOYSA-N 504.572 3.598 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccccn1)[C@H]2Br 256019847 IBTHKOQREXXGAT-UVBJJODRSA-N 524.051 3.528 50 10 KHGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCC(=O)O)c(I)c2)cc1 725431212 SZVGULUDIJHQHR-GOSISDBHSA-N 652.223 3.722 50 10 KHGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748379 UOERPCJSMYLRLM-UHFFFAOYSA-N 509.607 3.935 50 10 KHGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCCN1CCOCC1 1865686776 ALHXPEHCLSDRCV-AREMUKBSSA-N 536.032 3.831 50 10 KHGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 2285014049 XIEKPRFSDXWWPT-VWLOTQADSA-N 520.460 3.648 50 10 KHGE N#CC(=Cc1ccc(N2CCOCC2)o1)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 2314646537 AUHCXQGGHLTOHZ-IBGZPJMESA-N 510.616 3.511 50 10 KHGE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2349640525 FHYPBTRZJMYDPZ-AOMKIAJQSA-N 507.719 3.973 50 10 KHGE CCOc1c(I)cc(I)cc1/C=C(/C#N)c1[nH]nc(N)c1C#N 6195719 KKXTWBXHBQRJKF-OQFOIZHKSA-N 531.095 3.536 50 10 KHGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100082437 ZOJLJCPPLHZHQZ-UHFFFAOYSA-N 573.307 3.989 50 10 KHGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 100162706 XQIVCZHHNGVPEC-UHFFFAOYSA-N 544.427 3.621 50 10 KHGE COc1ccc(/C=N/NC(=O)c2nonc2NCCCl)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 102738136 KQPUJBUXIFAIET-ZJIVOUCISA-N 543.024 3.629 50 10 KHGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 256028592 WQNZNVGUOOCJKD-UHFFFAOYSA-N 513.645 3.703 50 10 KHGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)NC(C)(C)C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084620998 JCJSFVPQMNTAKN-UHFFFAOYSA-N 545.061 3.997 50 10 KHGE O=C(CSc1nc2ccccc2s1)NNC=C1C(=O)N(c2ccc3c(c2)OCO3)C(=O)c2ccccc21 2042445297 GJUYFOQBRCMLKL-UHFFFAOYSA-N 530.587 3.966 50 10 KHGE CCOC1(CBr)CN(C(=O)c2cc(Br)ccc2I)C1 2116389548 XNHIXRYUGXAQTD-UHFFFAOYSA-N 502.972 3.680 50 10 KHGE COc1ccnc(-n2c(C)nc(I)c2I)c1CBr 2255086396 PFJVAINVSMKMLS-UHFFFAOYSA-N 533.933 3.688 50 10 KHGE Cc1csc(CN(C)C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2285017984 LSNBBIDAXGWQNF-DEOSSOPVSA-N 520.460 3.648 50 10 KHGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 2314737022 HMBDMZJZPAXNFB-GOSISDBHSA-N 509.518 3.509 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)ccc1Br 14644929 LVBFBVRFNUZYHH-UHFFFAOYSA-N 508.438 3.897 50 10 KHGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 100087294 VHEAWYIUCUHPHE-UHFFFAOYSA-N 522.808 3.735 50 10 KHGE CC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(-n2ccnc2)cc1 254816837 SFDVZIIRKZWERA-UHFFFAOYSA-N 504.528 3.735 50 10 KHGE C#CCOc1c(I)cc(C=NNC(=O)c2ccccc2Br)cc1OC 1083896311 ZVDRQEIZPPWGKB-UHFFFAOYSA-N 513.129 3.838 50 10 KHGE COc1ccc(CN(C(=O)/C=C\C(=O)O)[C@@H]2CC(=O)N(c3ccc(OCCCCCCl)cc3)C2=O)cc1 1084022189 SRLVVUBITGILDP-OILJVOJPSA-N 528.989 3.785 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747868 LNZZYABDPLBSII-UHFFFAOYSA-N 527.896 3.834 50 10 KHGE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866804785 XFQIARDCOZUWAX-HSZRJFAPSA-N 553.662 3.807 50 10 KHGE COC[C@](C)(CCBr)NC(=O)c1cc(I)ccc1Br 2101778668 YSONTIHVKSMLPR-ZDUSSCGKSA-N 504.988 3.974 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cscc1B(O)O 2269557810 HWMCUTHBDLJLGK-SSOJOUAXSA-N 506.433 3.559 50 10 KHGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2285032695 WZOJRXJCFIMCLS-HFJWLAOPSA-N 520.460 3.901 50 10 KHGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40645765 NOZQPXVNLQCLSL-UHFFFAOYSA-N 501.297 3.825 50 10 KHGE CCc1nn2c(=O)cc(COc3ccc(/C=C(/C#N)C(=O)Nc4ccc(F)cc4)cc3OC)nc2s1 96484410 JYXLYYJVTJDFJU-YBEGLDIGSA-N 505.531 3.986 50 10 KHGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1ccccc1[C@H](C)CC 100094283 CFAAIPXVCVQKDP-NHCUHLMSSA-N 540.661 3.637 50 10 KHGE COc1cc(/C(C)=N/NC(=O)c2ccccc2NC(=O)c2ccccc2Br)ccc1OCC(N)=O 100310894 NUKRKYLVGIYCRA-WKULSOCRSA-N 539.386 3.728 50 10 KHGE COc1ccc(C=NNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 252593671 BLJWWYASBFCUHZ-QHCPKHFHSA-N 522.583 3.794 50 10 KHGE CCCN1C(=O)C(=NNC(=O)CCCCCCC(=O)NN=C2C(=O)N(CCC)c3ccccc32)c2ccccc21 254295698 CWSIUEPIQOGEJP-UHFFFAOYSA-N 544.656 3.881 50 10 KHGE CCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)cc1 254546513 VHRYNZIUMGUKNQ-UAMLXSPFSA-N 501.539 3.593 50 10 KHGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1C#N 1084438419 PHNQSLYCKTXAJH-UHFFFAOYSA-N 528.319 3.868 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 1084472910 AYVBUKSZBUZHPU-UHFFFAOYSA-N 608.717 3.877 50 10 KHGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 1084566680 HIGMOCADDNVHPX-UHFFFAOYSA-N 514.460 3.820 50 10 KHGE CS(=O)(=O)c1ccccc1C(=O)N[C@H]1Cc2ccccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1616014347 NPJRNPAYTHCJNV-NRVKFRLLSA-N 546.527 3.869 50 10 KHGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Br)cc(Br)c1OC 1772719673 KXJKJADBJBVPAS-UHFFFAOYSA-N 527.213 3.889 50 10 KHGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1ccc(I)c(Br)c1 2178904243 VDEXGFVOOLERDQ-WDEREUQCSA-N 516.015 3.593 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2285032694 WZOJRXJCFIMCLS-DWXRJYCRSA-N 520.460 3.901 50 10 KHGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(I)c1OC 2293152798 VXACDFQLDBPBBK-UHFFFAOYSA-N 599.381 3.958 50 10 KHGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 1083952116 XQASFWOGBOPVNZ-UHFFFAOYSA-N 529.018 3.582 50 10 KHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747452 OUUBUUYHUIAJRA-UHFFFAOYSA-N 514.442 3.744 50 10 KHGE O=C(NC[C@H](Br)CBr)c1ccc(I)c(Br)c1 1981565821 PFXXTQCFQKBWQV-SSDOTTSWSA-N 525.804 3.942 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CC[C@@H](I)C1 1994517169 VRRHJBGQLQUPOR-MRVPVSSYSA-N 505.919 3.703 50 10 KHGE Cc1cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2267156635 MRIFBRDEIYQYHU-UHFFFAOYSA-N 502.533 3.992 50 10 KHGE COc1cccc(C=C2SC(=S)N(CCC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)C2=O)c1 2297293626 KEUCSYRTNHBVGQ-UHFFFAOYSA-N 540.450 3.820 50 10 KHGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314618872 VWIFQIZDTOCFCQ-DEOSSOPVSA-N 571.659 3.561 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2350351021 AOHYVXDUFSWBNZ-KSFYIVLOSA-N 507.719 3.973 50 10 KHGE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1 223373703 IJUAKMXOOVCLEV-VRKDDREPSA-N 753.796 3.751 50 10 KHGE in-vitro Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)NNc2ccc(Cl)cc2)[nH]1 253579035 ZCSRVCPMNZDMQA-DHRITJCHSA-N 525.042 3.700 50 10 KHGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(OC)c(OC)cc2OC)c1 254738171 KRULLSXIPQUNNK-ARXYATHOSA-N 519.554 3.651 50 10 KHGE O=C(NN=Cc1cc(I)ccc1O)/C(=C\c1cccs1)NC(=O)c1ccccc1 254757850 CXDIYDGOXXYTLK-NCJCXQGBSA-N 517.348 3.980 50 10 KHGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3c2OCCO3)c2ccc(C)cc2)cc1 1084604131 QCZCYJZZBUGWHQ-UHFFFAOYSA-N 509.584 3.511 50 10 KHGE C[C@@H](Br)CN1CCCN(c2ncc(I)cc2Br)CC1 2133379098 SBCBISDQLDCSFH-SNVBAGLBSA-N 503.020 3.744 50 10 KHGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2268678639 JINFOHDLHSRQCN-NSYGIPOTSA-N 506.433 3.511 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314618383 MNIOFGAVNGPMHH-UHFFFAOYSA-N 620.691 3.748 50 10 KHGE O=C(c1ccc(I)c(Br)c1)N1CC2(CC[C@H](CBr)O2)C1 2361880922 BJVZLXGVHNKRJQ-SNVBAGLBSA-N 514.983 3.822 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)ccc1Cl 14039662 VWDBMGJIUNOAFB-UHFFFAOYSA-N 514.003 3.821 50 10 KHGE C/C(=N\NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1cccc(I)c1 103748693 OCBIQXHMAZOGQU-MFKUBSTISA-N 547.418 3.849 50 10 KHGE CN(C)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(N(C)C)c(Br)c2)C=3C#N)cc1Br 252669682 IJMSNDDLCWOOHW-HSZRJFAPSA-N 626.378 3.518 50 10 KHGE COc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)ccc1O 1084386926 BYYHLPSSHIJTIZ-UHFFFAOYSA-N 518.389 3.509 50 10 KHGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)C1 1873777736 QPSHXVWGURTCLD-KRWDZBQOSA-N 503.946 3.531 50 10 KHGE O=C1CC[C@H](N2C(=O)c3cccc(NC(=O)CCCCCOCCOCCOCCCCCCI)c3C2=O)C(=O)N1 2080389405 QZIUVZMTAVRENH-QHCPKHFHSA-N 685.556 3.632 50 10 KHGE Cc1csc(CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2285025672 LSNBBIDAXGWQNF-XMMPIXPASA-N 520.460 3.648 50 10 KHGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 13986964 OHOUQKKWTXSNCF-VMPITWQZSA-N 503.205 3.870 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1ccccc1Cl 100081437 IAOKQIAPOQPVIS-UHFFFAOYSA-N 535.645 3.888 50 10 KHGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)c(Br)c1 100086945 DVVICMQYFLSJHT-UHFFFAOYSA-N 559.280 3.562 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1I 100243355 NJSOEBWRCRNQAQ-UHFFFAOYSA-N 575.428 3.871 50 10 KHGE Nc1nnnn1CC(=O)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl 254391266 QZVXYLRGUBQBCQ-UHFFFAOYSA-N 578.052 3.816 50 10 KHGE C[C@@H](Oc1c(Cl)cccc1/C=N\NC(=O)c1cc(F)ccc1NS(=O)(=O)c1cccs1)C(=O)O 675031826 PDZGLSRAKUZEKC-SKBUGYKVSA-N 525.967 3.957 50 10 KHGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)NCc1ccco1 1083937386 GRYRVDFZHIYAKU-UHFFFAOYSA-N 522.867 3.736 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)Oc1ccc([N+](=O)[O-])cc1 1859006501 CVOAURCFJXZNIK-UHFFFAOYSA-N 527.599 3.947 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2COC[C@@H](C1)C2Br 2167771085 VDBUBHHVDIWKQD-PHXKMMTBSA-N 514.983 3.536 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2207260209 FBYBNAZYYDGMRF-ZWKOPEQDSA-N 514.983 3.821 50 10 KHGE O=S(=O)(/N=C1/C=C/C(=N\S(=O)(=O)c2ccccc2)[C@@H](Br)[C@@H]1Br)c1ccccc1 101051780 DMRSNQOTECEXAV-WKWOYYNSSA-N 546.262 3.743 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594748 DJFOGACVGMEXEZ-YZSQISJMSA-N 509.906 3.695 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1 254841194 NMUODWUGKOIIFI-UHFFFAOYSA-N 501.524 3.522 50 10 KHGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F 1083975929 YMYDSDMYBIWVHA-UHFFFAOYSA-N 500.287 3.589 50 10 KHGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1 1084329515 KNQGINUCEZBVAP-UHFFFAOYSA-N 517.361 3.703 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084563959 GOWYRMKDJSEJHD-UHFFFAOYSA-N 638.743 3.886 50 10 KHGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1916333252 QOAKKILYGJCMOQ-FQEVSTJZSA-N 537.476 3.695 50 10 KHGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 2314739104 ZXIPHWXIMBZGIE-UHFFFAOYSA-N 548.552 3.799 50 10 KHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1OC 13977391 DBFGNTPXRLHCFB-OQLLNIDSSA-N 510.616 3.572 50 10 KHGE N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)NCCNC(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 33745539 ICETVJXAIQGTDX-WHYMJUELSA-N 502.424 3.636 50 10 KHGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1ccccc1Br 100103032 PNMKWYRBXUWWNG-UHFFFAOYSA-N 521.618 3.580 50 10 KHGE C/C(CC(=O)Nc1ccccc1Cl)=N\NC(=O)[C@H]1C[C@H]1C(=O)N/N=C(\C)CC(=O)Nc1ccccc1Cl 105637180 ACQYPPYMXILRRC-XIZIJERLSA-N 545.427 3.971 50 10 KHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NN=C4C(=O)N(Cc5ccc(F)cc5)c5ccccc54)c(=O)c23)C1 254771432 MZRQJXZPYLBROQ-MRXNPFEDSA-N 529.597 3.789 50 10 KHGE Cc1cccc(Cl)c1OCc1ccc(C=NNc2nc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)o1 1084433007 LHDQCOVKXJYJOP-AWEZNQCLSA-N 532.026 3.813 50 10 KHGE O=C(NC[C@H](Br)CBr)c1cc(I)ccc1Br 1981566023 QRZIVTKFOSUJKQ-ZCFIWIBFSA-N 525.804 3.942 50 10 KHGE O=C(c1cc(I)ccc1Br)N1CC(OCCCBr)C1 2141951478 XDQRLDPJSJYTQQ-UHFFFAOYSA-N 502.972 3.680 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)c1 2297456028 MZUOAPVWWDYIMT-VWLOTQADSA-N 533.654 3.772 50 10 KHGE CCOc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314620937 WNGVNUOXUJLIGG-UHFFFAOYSA-N 518.566 3.836 50 10 KHGE O=C(O)COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 58889159 KIMDPSOZZOTOPH-HNJRTNGCSA-N 514.170 3.639 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101616015 ONOKXGHXJLZJOY-BUVRLJJBSA-N 515.389 3.957 50 10 KHGE CC(C)(C)OC(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 226084358 VJZQCLUHXUVMQC-ICMOMJMYSA-N 502.993 3.705 50 10 KHGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 254291796 ALYZLAVIQXMVAG-DBPCCWQVSA-N 508.582 3.874 50 10 KHGE COC(=O)[C@@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 255984427 KXTNIKNREDJJSO-LSDVVMKASA-N 583.387 3.956 50 10 KHGE C[C@@H](C(=O)NNC(=O)CCc1ccccc1Br)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770982 FJCUUFFQEQBZMC-KGLIPLIRSA-N 517.449 3.687 50 10 KHGE N#CC(=CNc1ncc(Br)cn1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609856 WPMCEXCBZBUEMQ-UHFFFAOYSA-N 503.404 3.992 50 10 KHGE COc1ccc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)c(OC)c1OC 2331413618 DXIDEDUDGKLGKT-UHFFFAOYSA-N 501.586 3.916 50 10 KHGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 38660536 RGWFDENDLYSWQZ-SANMLTNESA-N 518.522 3.924 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607177 FCADTIJZYLHTEW-ZXVVBBHZSA-N 523.933 3.624 50 10 KHGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 110558274 BBZRGCDQSJNBAE-LQAUXRIUSA-N 531.638 3.546 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)cc1OC 1084266717 HIBRPOBUGZJHQX-UHFFFAOYSA-N 541.651 3.544 50 10 KHGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2268680049 JINFOHDLHSRQCN-SSOJOUAXSA-N 506.433 3.511 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2OCC[C@@]2(CBr)C1 2296359829 HZENYJLUWATCNM-TZMCWYRMSA-N 514.983 3.680 50 10 KHGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCC(=O)O 2313556854 MTBGRGPEEHIKKO-UHFFFAOYSA-N 559.360 3.900 50 10 KHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)ccc2OC)c(OC)c1 2314772735 RCCZCHHATSDZIN-UHFFFAOYSA-N 515.360 3.755 50 10 KHGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(N2CCN(C)CC2)cc1 2325406434 JCCHFBFPWLKMNE-UHFFFAOYSA-N 501.372 3.810 50 10 KHGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NN=Cc4cc(Cl)cc(Br)c4O)c(=O)c23)C1 2325904262 IKKGCYLSZYAAIK-SNVBAGLBSA-N 509.813 3.855 50 10 KHGE O=C(C=Cc1cccc(F)c1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2330950679 QVQKWQZDWRXUJO-UHFFFAOYSA-N 513.503 3.583 50 10 KHGE Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 33535474 KXENGAFLEVSSTA-PZHBDVNGSA-N 504.612 3.845 50 10 KHGE Cc1cc(Cl)cc2c1NC(=O)/C2=N/NC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 245343749 YPQNUSPGESXQIK-LMPWSLQOSA-N 546.020 3.666 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccc(O)c(OC)c1 252616777 KFFIQDMPMNTGMI-UHFFFAOYSA-N 578.436 3.637 50 10 KHGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1ccccc1Br 1084501299 VMFQWJRXPNQWTB-UHFFFAOYSA-N 517.361 3.703 50 10 KHGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc(Br)cc3)c(C)c21 1772745735 FXEPEIBWSNEFJS-UHFFFAOYSA-N 539.386 3.904 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185295802 DDAYFGAFDYYQCK-OASPWFOLSA-N 514.983 3.821 50 10 KHGE COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 3089180 CPFAOIDBODDCJB-ZVHZXABRSA-N 502.936 3.602 50 10 KHGE O=C(NN/C=C1\C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccccc21)c1cc2c(s1)CCCC2 96298622 AUGBGYUGVWYFNU-MOSHPQCFSA-N 501.564 3.814 50 10 KHGE N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)NCCN1CCN(C(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)CC1 102943173 YLTFMRSPTCGRIX-BMJUYKDLSA-N 571.531 3.664 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744252 TWTORGTZSUJLPD-UHFFFAOYSA-N 554.357 3.804 50 10 KHGE O=C(c1cc(I)ccc1Br)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146691060 FBYALOKYCCYNHI-BIMULSAOSA-N 514.983 3.821 50 10 KHGE CC(=CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331915906 AZBIXTVFCOPVRH-SANMLTNESA-N 564.689 3.985 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 2350361314 OPOJHPIBWAKZNI-MCFFVMPBSA-N 505.703 3.725 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccccc1Br 12584267 RPTYGRATWPGABT-UHFFFAOYSA-N 506.976 3.814 50 10 KHGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623224 KSJBMXMDCBAJLZ-NRFANRHFSA-N 522.399 3.691 50 10 KHGE CSCC[C@@H](C(=O)Nc1cccc(C)c1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 103618886 ZJZCVKBDKIUHRQ-QQPMLANJSA-N 544.309 3.833 50 10 KHGE COc1ccc(O)c(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1 254874905 SEWQHLXCTVJEMM-UHFFFAOYSA-N 549.609 3.917 50 10 KHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(I)cc1 1084093542 AULJJYJVHLVBOX-UHFFFAOYSA-N 649.267 3.656 50 10 KHGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(Br)cc3)cc2)cc1 1084540205 GQGGYJNFMJWOBW-UHFFFAOYSA-N 525.359 3.564 50 10 KHGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4cccc(Cl)c4)c(C)c32)cc1 40815306 JHPUAROCMSPKSO-LGUFXXKBSA-N 514.991 3.644 50 10 KHGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100096996 KDDUPZDEPLGHDE-VMPITWQZSA-N 547.656 3.979 50 10 KHGE N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 205772438 AUHCXQGGHLTOHZ-DQSGYLJSSA-N 510.616 3.511 50 10 KHGE COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3ccc(OCC(=O)NC(C)C)cc3)cc2)CC1 254597594 KPZSRCVOEMWFMG-UHFFFAOYSA-N 543.668 3.685 50 10 KHGE O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(C(F)(F)F)c1 254625778 YGRQMRNXTDKQBG-UHFFFAOYSA-N 506.462 3.959 50 10 KHGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749402 KSMUKJLVEKFTOA-UHFFFAOYSA-N 504.562 3.925 50 10 KHGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1956234399 RBEYJFRPWZVBRA-ZHRRBRCNSA-N 511.413 3.626 50 10 KHGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] 40646209 PNPBTRAUVGJICW-UHFFFAOYSA-N 507.290 3.729 50 10 KHGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br 100184706 VMWHNUPAOVVLOX-UHFFFAOYSA-N 545.253 3.958 50 10 KHGE C/C(CC(=O)Nc1ccccc1Cl)=N\NC(=O)CC(=O)N/N=C(\C)CC(=O)Nc1ccccc1Cl 105637233 HKCZCGOOWCGXDK-RABJZLPGSA-N 519.389 3.725 50 10 KHGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214270682 BRZZYWHAXBEWBC-PKAZHMFMSA-N 585.686 3.808 50 10 KHGE C[C@@H]1CCCCN1Cc1c(C(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnn1-c1nonc1N 254287053 GPNCZOYULPTXIL-MRXNPFEDSA-N 537.669 3.671 50 10 KHGE COc1c(OC(C)=O)ccc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c1[N+](=O)[O-] 254352170 SAZODZZJMUYHIG-PTAUNISCSA-N 508.512 3.511 50 10 KHGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc(Br)cc4)c(C)c32)cc1 1772746254 SWCMXWXUMNWQCY-UHFFFAOYSA-N 539.386 3.904 50 10 KHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2313861958 JTAWQBGISCKFRE-UHFFFAOYSA-N 503.540 3.504 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCC12CC(NC(=O)OC(C)(C)C)C2 2349647329 YQIMZUUZWIPUTK-IVKVDSSUSA-N 505.703 3.773 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 9229474 PIJWXLYDEKKNBE-QPJJXVBHSA-N 513.142 3.668 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14021487 AJWPAYCPBUJQLK-UHFFFAOYSA-N 515.360 3.774 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1Br 14770947 NZYKZDMHFNASII-UHFFFAOYSA-N 502.390 3.716 50 10 KHGE CCOc1cc(/C=N\NC(=O)CCNC(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)c(OC)c1 34983684 UVUDCDGWNBSBLA-YKQZZPSBSA-N 519.554 3.592 50 10 KHGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 100079870 WJVXJEOOUGJSBS-ZDUSSCGKSA-N 527.430 3.600 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 100102278 SAKHFCJMTKQJQI-UHFFFAOYSA-N 527.213 3.955 50 10 KHGE Cn1ncc([C@@H](Cl)c2cc(I)cc3c2OCC3)c1I 381737510 AVYWCPHUVOYMAN-NSHDSACASA-N 500.505 3.892 50 10 KHGE CS(=O)(=O)N(CC(=O)NN=Cc1cccc(OC2CSC2)c1)c1ccc(Oc2ccccc2)cc1 1084034055 AIUJDZVKEPOSEX-UHFFFAOYSA-N 511.625 3.889 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(C)c1C 1084585345 ZZBFCAUCVBVBGI-MRXNPFEDSA-N 578.484 3.662 50 10 KHGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Cl)cc1 1084638981 RUUWKJNMMSZSNJ-UHFFFAOYSA-N 557.816 3.705 50 10 KHGE O[C@@H](CCl)c1cc(I)cc(I)c1I 1951723021 QYBHUGXXJHIBBF-ZETCQYMHSA-N 534.300 3.773 50 10 KHGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14654178 ODZGIYNOTFLNEU-UHFFFAOYSA-N 521.437 3.782 50 10 KHGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254403293 OZMKCMOTTCYIHO-MEQXYMFYSA-N 509.522 3.536 50 10 KHGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2285021760 WZOJRXJCFIMCLS-QYBDOPJKSA-N 520.460 3.901 50 10 KHGE N#CC(=Cc1cc(I)cc(I)c1O)C(=O)NCc1ccccc1 2313518922 ZNTYMSZKQCVVSG-UHFFFAOYSA-N 530.103 3.825 50 10 KHGE CCOC(=O)[C@@H]1C[C@H](I)[C@@H](OCc2cccc(I)c2)C1 2367353086 QMGFFNOPQQAOQL-XBFCOCLRSA-N 500.114 3.953 50 10 KHGE CC(C)(C)OC(=O)[C@@]1(N(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)CSC[C@H]1O 206914778 PISNKGOLEFDKDQ-CJFMBICVSA-N 502.589 3.655 50 10 KHGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214310271 IAFOZGKSQRENMG-MIXAMLLLSA-N 620.691 3.748 50 10 KHGE O=C(NN=C(C(=NNC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1)c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1 254287008 FJKVUELJTVYZBH-UHFFFAOYSA-N 568.502 3.883 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccccc2O)c2cc(C)cc(C)c2)cc1OC 254743124 NSYCBUGOEQKKQU-UHFFFAOYSA-N 511.600 3.762 50 10 KHGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748995 IRFLZOBCCYTWET-UHFFFAOYSA-N 536.404 3.581 50 10 KHGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887520495 WDFOZESVJIQSME-UHFFFAOYSA-N 571.483 3.771 50 10 KHGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 101067537 YKYVYNCZGJVRDU-UHFFFAOYSA-N 541.149 3.968 50 10 KHGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)NNC(=O)c2cc(OC)cc(OC)c2)cc1 205964046 UDRGEFVIMYQZRD-KOEQRZSOSA-N 516.554 3.681 50 10 KHGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1OC 254867048 CCDOHTVAUHBPJI-UHFFFAOYSA-N 531.550 3.530 50 10 KHGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1OCC 1083897020 HTMKPZMWHIXWSG-UHFFFAOYSA-N 507.612 3.818 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2282400795 IKZOPSSRMUKRFZ-UHFFFAOYSA-N 500.467 3.761 50 10 KHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)c(OC)c(OC)c2)cc1 2314785897 WXNLXCCHZJLXSE-UHFFFAOYSA-N 515.360 3.755 50 10 KHGE COCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1Br 14661476 OUEUDKKATVEKRG-UHFFFAOYSA-N 512.788 3.616 50 10 KHGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 206490347 ZXIPHWXIMBZGIE-CYVLTUHYSA-N 548.552 3.799 50 10 KHGE CC(C)CN1C(=O)C(=NNC(=O)CCCCCC(=O)NN=C2C(=O)N(CC(C)C)c3ccccc32)c2ccccc21 254520797 JGOBTABATHKIET-UHFFFAOYSA-N 558.683 3.983 50 10 KHGE O=C(O)COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 1084163581 KIMDPSOZZOTOPH-MRXNPFEDSA-N 514.170 3.639 50 10 KHGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 1084413507 OYTPFJQGHIRSTI-UHFFFAOYSA-N 511.600 3.838 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772746428 BYOZVLLJMNVWSW-UHFFFAOYSA-N 510.438 3.771 50 10 KHGE CSCC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867250931 LRTTZMTWCYFFQA-OALUTQOASA-N 560.503 3.934 50 10 KHGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)c1 2297616739 LVPPAPRCNIKYGS-UHFFFAOYSA-N 514.563 3.669 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1I 13977165 XOUQFQUUQBQNFB-UHFFFAOYSA-N 503.365 3.631 50 10 KHGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14667029 XBHVORBSXUEQSI-UHFFFAOYSA-N 507.381 3.891 50 10 KHGE CCOc1cccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)/c(=N/NC(=O)c3ccco3)oc12 20615228 RPAKWYMIYIETBZ-IKPAITLHSA-N 505.527 3.660 50 10 KHGE CCOC(=O)COc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 58893786 VVKAUCKOJAWGJJ-PUDRWSQFSA-N 507.381 3.754 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100203428 FKVTWSVFDWLVCN-UHFFFAOYSA-N 595.697 3.605 50 10 KHGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 253570553 NTCXTIYQDWQBIL-UZWMFBFFSA-N 579.690 3.902 50 10 KHGE COc1ccc(CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858993507 UQKHZVLHQPCLJT-UHFFFAOYSA-N 524.624 3.680 50 10 KHGE O=C(N[C@H]1CCOC[C@@H]1CBr)c1ccc(I)c(Br)c1 1878686899 QIUCGLGDLVPQJN-CABZTGNLSA-N 502.972 3.584 50 10 KHGE O=C(N[C@@H]1CCOC[C@H]1CBr)c1ccc(Br)cc1I 2142278729 HEEAHVBNYLVDOM-PRHODGIISA-N 502.972 3.584 50 10 KHGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 13976585 AMVDQIVVXQMBBF-MDWZMJQESA-N 514.401 3.725 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 214419560 POYCCCLZQSTOBG-UCQKPKSFSA-N 526.549 3.712 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccncc1)[C@H]2Br 256019195 OQDJDDVLQRSABS-UVBJJODRSA-N 524.051 3.528 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084316348 HCYAVLSGNPQQGL-UHFFFAOYSA-N 622.405 3.740 50 10 KHGE C/C(=N/NC(=O)c1cccnc1)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(/C(C)=N/NC(=O)c3cccnc3)cc2)cc1 1616120080 LZNDWEDTUUSYAC-HDJJRNGESA-N 594.628 3.941 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2COC[C@@H](C1)C2Br 2167768948 IAAUEPUULGJJNI-PHXKMMTBSA-N 514.983 3.536 50 10 KHGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2268646824 VLVSJOPUSORBAV-CPJLOUKISA-N 506.795 3.912 50 10 KHGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C(C)=C(C#N)C1=O 2314617048 PTONGMUTCIOWSB-UHFFFAOYSA-N 527.606 3.568 50 10 KHGE NC(=O)Cn1cc(/C=N/NC(=O)c2ccccc2NC(=O)Cc2ccc(Cl)cc2)c(-c2ccccc2)n1 20530185 GAULHQDWLJSXHT-FJEPWZHXSA-N 514.973 3.634 50 10 KHGE CCOC(=O)COc1ccc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 725402355 VVKAUCKOJAWGJJ-HXUWFJFHSA-N 507.381 3.754 50 10 KHGE O=S(=O)(c1cc(CBr)oc1Br)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2123199681 WEQYEIPYNPTEAP-GJZGRUSLSA-N 504.244 3.832 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2207260206 FBYBNAZYYDGMRF-JIMOISOXSA-N 514.983 3.821 50 10 KHGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N1CCC(Cc2ccccc2)CC1 2324765114 BEEYTLYDSDXYKS-UHFFFAOYSA-N 529.062 3.662 50 10 KHGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 13985010 YLNNGEUHMNLPOA-UHFFFAOYSA-N 513.186 3.646 50 10 KHGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 14646010 RNOXFKZTURLQIO-UHFFFAOYSA-N 509.382 3.732 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1I 100092262 UEZRSZJTQPQHAG-UHFFFAOYSA-N 545.402 3.981 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1Br 100202032 CMXWGJAXPISBEH-UHFFFAOYSA-N 538.464 3.849 50 10 KHGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 101336133 AIIKFBNGTHPUPY-ZTKZIYFRSA-N 629.739 3.968 50 10 KHGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 101340963 RLSKZOBMDFRAJL-TURZUDJPSA-N 613.696 3.869 50 10 KHGE O=C(COc1ccccc1I)N/N=C/c1cc(Br)c(N2CCCC2)o1 103872224 XMEYCYMIQDGVBO-KEBDBYFISA-N 518.149 3.776 50 10 KHGE COc1cccc(C=NNC(=O)c2cccc(Cl)c2NS(=O)(=O)c2cccs2)c1O[C@H](C)C(=O)O 1081159554 KHHOTSHGOUAATM-CYBMUJFWSA-N 538.003 3.827 50 10 KHGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1C 1084069936 JBPCCBQUHZTDEM-PMERELPUSA-N 633.796 3.925 50 10 KHGE COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1084148391 ISXLVBOQYBGJAB-GZTJUZNOSA-N 518.795 3.910 50 10 KHGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 1084488471 QSKVKICGCDGLMW-UHFFFAOYSA-N 516.019 3.741 50 10 KHGE CCN1C(=O)C(=NNC(=O)CCCCCCCC(=O)NN=C2C(=O)N(CC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720251 GTQDINHWDZQZTO-UHFFFAOYSA-N 590.681 3.508 50 10 KHGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Br)cc1)Oc1ccc([N+](=O)[O-])cc1 1858955036 HOLOZDBWGNGJEE-UHFFFAOYSA-N 534.344 3.765 50 10 KHGE [C-]#[N+]CCc1cc(I)cc(I)c1I 1951525122 RZQBFMGUCUXVJY-UHFFFAOYSA-N 508.866 3.962 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(N2C(=O)C(=CNNC(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)c1 2042444943 LFWVSYVWLQQYCH-UHFFFAOYSA-N 553.040 3.833 50 10 KHGE Cc1cc(CN(C)C(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2285006533 IJKOUYSEPZJIAF-VWLOTQADSA-N 520.460 3.648 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2364213185 ALNJSTSRBCUDSG-QZHFEQFPSA-N 501.418 3.511 50 10 KHGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(CC)cc2Br)c(Br)c1 13977765 MUYSCWWNYUJNPB-UHFFFAOYSA-N 514.214 3.942 50 10 KHGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 100233520 GFLRLYLQKFVYEK-UHFFFAOYSA-N 552.491 3.876 50 10 KHGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 1772719770 UUQJUMUJTDXESX-UHFFFAOYSA-N 533.581 3.982 50 10 KHGE O=S(=O)(c1cc(Br)ccc1Br)N1CCC(I)CC1 2077867218 BRQYFHSALDPISD-UHFFFAOYSA-N 509.001 3.800 50 10 KHGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)ccc1Cl 14041067 CCVWPDVZTNTPHA-UHFFFAOYSA-N 514.003 3.821 50 10 KHGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)c1 14641615 XKPGXOCCUVKADE-UHFFFAOYSA-N 500.802 3.606 50 10 KHGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])c1 40658374 JGOVJEGAQDNXFN-UHFFFAOYSA-N 501.297 3.825 50 10 KHGE CCOc1cc(/C=N\NC(=O)COc2ccc(OC)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869752 QBZYGSKKEBDBAS-MWLSYYOVSA-N 538.553 3.868 50 10 KHGE CCCN1C(=O)/C(=N\NC(=O)CCCCC(=O)N/N=C2/C(=O)N(CCC)c3ccc(C)cc32)c2cc(C)ccc21 100870011 ZPWTYRAKJYUOMO-DENOHBPFSA-N 544.656 3.718 50 10 KHGE CCN1CCN(c2ccc(NC(=O)C(Cl)Cl)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 103161003 DZQQUPRRQYBMHM-FQEVSTJZSA-N 525.502 3.927 50 10 KHGE Cc1ccc(COc2ccc(C=NNC(=O)c3nnn(-c4nonc4N)c3COc3ccc(F)cc3)cc2)cc1 254313929 VQDZSFNPXGWTBE-UHFFFAOYSA-N 542.531 3.602 50 10 KHGE O=C(CCn1ccc2ccccc21)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858960349 DQFLDRUWMDGKRG-UHFFFAOYSA-N 522.539 3.733 50 10 KHGE Cc1c(C#C[Si](C)(C)C)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B(O)O 1887522635 ATNGFBRBXZJFLH-UHFFFAOYSA-N 552.556 3.970 50 10 KHGE O=C(c1cc(Br)ccc1I)N1C[C@H]2COC[C@@]2(CBr)C1 2234578394 FTJBNGNXTNZOSF-LKFCYVNXSA-N 514.983 3.537 50 10 KHGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313860644 GVSFEJUXQAVZJD-UHFFFAOYSA-N 503.540 3.504 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2364213187 ALNJSTSRBCUDSG-VLQPXKRTSA-N 501.418 3.511 50 10 KHGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2Cl)n1 20835973 UBDXUBPKWQAEFU-BRJLIKDPSA-N 516.027 3.769 50 10 KHGE CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 100218996 ZWLFVZQGHXDGAB-SSVUZXLWSA-N 589.224 3.960 50 10 KHGE C/C(CC(=O)Nc1ccccc1Cl)=N\NC(=O)[C@H]1C[C@@H]1C(=O)N/N=C(\C)CC(=O)Nc1ccccc1Cl 105637184 ACQYPPYMXILRRC-USGZCWNHSA-N 545.427 3.971 50 10 KHGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)cc1I 150387309 XSUFGFPGGPWTER-UHFFFAOYSA-N 657.122 3.848 50 10 KHGE CC(C)N(Cc1ccccc1)C(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217185942 LAVDQNGDLVOBSF-SILNSSARSA-N 503.024 3.617 50 10 KHGE Brc1cc(I)cnc1N1C[C@@H](Br)C[C@@]2(CCCO2)C1 2133381180 DJVFOJOLGNQXJE-ZANVPECISA-N 501.988 3.972 50 10 KHGE O=C(c1ccc(Br)cc1I)N1CC2(CC[C@H](CBr)O2)C1 2361884552 QJTCEMVZMLZCKP-SNVBAGLBSA-N 514.983 3.822 50 10 KHGE O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 100955646 SZSJAOQBJAUSSS-BOTKMNMASA-N 554.313 3.892 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607151 PKPUAKFSLJPMNN-ZXVVBBHZSA-N 523.933 3.624 50 10 KHGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 205778607 GHDOGMUHSPKXHT-SDLXJUDFSA-N 559.556 3.780 50 10 KHGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)c1 252608163 HHNBVLRPPVSDBF-UHFFFAOYSA-N 541.651 3.544 50 10 KHGE COc1ccc(N2CCN(C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)CC2)cc1 253624510 AXISLXOLACSPOR-WTZAHSFESA-N 558.672 3.875 50 10 KHGE CCOc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)ccc1O 725274223 WYENTUKJRIJHTM-UHFFFAOYSA-N 546.443 3.895 50 10 KHGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)ccc1OCC(=O)N(CC)CC 1865707478 XTKKZVZCNGVHBU-IBGZPJMESA-N 507.513 3.786 50 10 KHGE CCN1CC[C@@H]([C@H](Br)c2ccc(I)c(Br)c2)S1(=O)=O 2089530383 GNABKPILJYGIQE-NWDGAFQWSA-N 523.028 3.914 50 10 KHGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1C 10154236 YPMPZCVSHHBNOJ-HXUWFJFHSA-N 507.612 3.864 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 14031764 KBVAIIWYPGONCW-ZDUSSCGKSA-N 502.390 3.714 50 10 KHGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 100132910 UYIGHZGLYVFPLO-UHFFFAOYSA-N 570.893 3.850 50 10 KHGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(C)c1C 105151385 ZZBFCAUCVBVBGI-KWJLSGNOSA-N 578.484 3.662 50 10 KHGE N#C[C@@H](C(=NNC(=O)c1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 254394592 DRGJABDSOGMOLM-SFHVURJKSA-N 601.517 3.962 50 10 KHGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(=O)O)n2-c2ccccc2)cc(OC)c1OC 254519583 CCXJELSOGPFHEP-UHFFFAOYSA-N 547.593 3.901 50 10 KHGE COc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1O 725426292 GAYFERPGZXWJPT-UHFFFAOYSA-N 546.443 3.547 50 10 KHGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc(I)o1 1772752913 XZARSZQMNBRHOP-UHFFFAOYSA-N 527.938 3.938 50 10 KHGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCCN1CCOCC1 1865686969 GICOEJUPAWDBEZ-VWLOTQADSA-N 522.005 3.772 50 10 KHGE CSCC[C@H](NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867228349 SIZOBJOLTZNLNL-NRFANRHFSA-N 538.692 3.675 50 10 KHGE CCOC(=O)Cc1c(I)ccc(I)c1CBr 2055232557 YFRRHWDTOKUVPT-UHFFFAOYSA-N 508.919 3.896 50 10 KHGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@]1(F)CC[C@@H](CBr)CC1 2178582589 JFELDGCRQHNARL-NBEIKUQISA-N 503.434 3.666 50 10 KHGE O=C(c1cc(Br)ccc1I)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185295801 DDAYFGAFDYYQCK-JIMOISOXSA-N 514.983 3.821 50 10 KHGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(Br)cc1 2324087118 CIZSKJRADGRJKW-UHFFFAOYSA-N 525.812 3.581 50 10 KHGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccccc4Br)c3[N+](=O)[O-])CC2)c1C 101492991 CYFCEMJSLVCHQH-UHFFFAOYSA-N 526.395 3.848 50 10 KHGE C/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc(Br)cc1 104769143 ZNFAYRCSXVGIKO-SSDVNMTOSA-N 524.242 3.816 50 10 KHGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)ccc1OCc1cccc2ccccc12 254398622 OOERBGPNZKFAPA-UHFFFAOYSA-N 581.637 3.723 50 10 KHGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCC(=O)OC)cc2Br)cc1 1084552306 OFLMXQPGFAWYOZ-FQEVSTJZSA-N 537.407 3.762 50 10 KHGE CCCC[C-](C(=O)N/N=C/c1cc(Br)ccc1O)C(=O)N/N=C/c1cc(Br)ccc1O 1614949221 BDFVUCZPUCWXJE-DHSUVYDUSA-N 553.231 3.988 50 10 KHGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743764 HZNMUKSXTSVYIC-UHFFFAOYSA-N 501.425 3.987 50 10 KHGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)CCC(CCl)CCl 2084897479 KOZYRWQOSROFHW-UHFFFAOYSA-N 520.520 3.588 50 10 KHGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2OC)c(OC)c1 2296652645 QHDPDPYCASBBAM-UHFFFAOYSA-N 504.499 3.542 50 10 KHGE CC(C)N(Cc1ccccc1)C(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2324522245 LAVDQNGDLVOBSF-UHFFFAOYSA-N 503.024 3.617 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 2378007690 UKUXCMGRWILLIM-ZGNKEGEESA-N 519.730 3.973 50 10 KHGE CC1CCC([C@@H](CBr)NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2379736046 HWHFENLATOQAFK-ASQQQJQKSA-N 503.434 3.520 50 10 KHGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Br)c1 100285236 OBPNHLRGMIQTJA-BJMVGYQFSA-N 521.393 3.595 50 10 KHGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602257 MHHJSQCMHHLMJT-WPWMEQJKSA-N 539.932 3.703 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 101608358 AGSLOTJEBGVGQW-PCLIKHOPSA-N 537.445 3.540 50 10 KHGE O=C(NNC(=O)c1ccncc1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1 102584571 HTMHCJSICQAXIJ-ITYLOYPMSA-N 529.560 3.561 50 10 KHGE N#C[C@H](C(=NNC(=O)c1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 254394591 DRGJABDSOGMOLM-GOSISDBHSA-N 601.517 3.962 50 10 KHGE CCOc1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858958394 BXTHJRQOHJJJCI-FRKPEAEDSA-N 525.539 3.800 50 10 KHGE COc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1S(C)(=O)=O 1866890571 DUHJJZFBCQTILK-OAQYLSRUSA-N 527.599 3.791 50 10 KHGE Cc1nc(I)c(I)n1CC1(CBr)CC(F)C1 2242985231 WBVZQQVAKHDPCR-UHFFFAOYSA-N 512.930 3.914 50 10 KHGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314611491 VKWHLRSHCRKRKR-UHFFFAOYSA-N 571.659 3.561 50 10 KHGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2Br)c(OC)c1 2314737422 JRHYUSNTNGNDLR-UHFFFAOYSA-N 568.218 3.874 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1Br 12573087 NORXDQQBAJGYRC-UHFFFAOYSA-N 511.829 3.774 50 10 KHGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 100082240 ZWJIQZHDVLBYEN-UHFFFAOYSA-N 559.280 3.617 50 10 KHGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 214254854 VEGDFZUFHDZTCV-CCPXZDFDSA-N 585.686 3.951 50 10 KHGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 252615460 JSOOMQQXZUDIEV-AVRXXWGGSA-N 504.499 3.542 50 10 KHGE COc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 254792188 YFRYFCNSUQIKQM-UHFFFAOYSA-N 541.560 3.965 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCN(c3ncccn3)CC1)[C@H]2Br 256019354 WBFPLNQECDITCI-IGNZVWTISA-N 551.121 3.811 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 725437185 OEXZEOICHASTTD-UHFFFAOYSA-N 608.717 3.749 50 10 KHGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)cc2)Cc2ccccc2)cc1OC 1083978719 RGDYNFUWPPFBJW-UHFFFAOYSA-N 501.992 3.698 50 10 KHGE COC(=O)COc1c(Br)cc(C=NNC(=O)c2ccccc2Br)cc1OC 1084319466 CJFOGQYUIZNWHK-UHFFFAOYSA-N 500.143 3.536 50 10 KHGE COC(=O)[C@@H]1O[C@@H](Br)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1848433574 KXTNIKNREDJJSO-GNADVCDUSA-N 583.387 3.956 50 10 KHGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866870964 AGBRSZNCRQMTEW-LVXARBLLSA-N 542.617 3.904 50 10 KHGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 10276360 DXIMEWQKEAETFW-CYBMUJFWSA-N 500.404 3.512 50 10 KHGE Cc1ccccc1C(=O)NNC(=S)NC(=O)COc1c(C)cc(Br)cc1Br 12572711 VBIVUOLWWFYOQY-UHFFFAOYSA-N 515.227 3.543 50 10 KHGE O=C(N/N=C/c1cc(I)c(O)cc1O)c1cc2cc(Br)ccc2o1 59680267 LRNCKMJWQTWEDF-FBCYGCLPSA-N 501.074 3.975 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1Br 100215415 LVUCRGHCGIQTMA-UHFFFAOYSA-N 545.253 3.633 50 10 KHGE CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102531511 FWWDYSTTZBLGKL-IGEIJWFLSA-N 512.242 3.528 50 10 KHGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 254442597 FFQCLMFLAQFPIB-UHFFFAOYSA-N 514.535 3.787 50 10 KHGE COc1c2c(c(Br)c([C@H]3ON=C(C(=O)NN=Cc4cccc(F)c4)[C@H]3C)c1OC)OCO2 254590267 XLXUQUYSHFXAIM-HWPZZCPQSA-N 508.300 3.548 50 10 KHGE NCCSSCCNC(=O)c1cc(I)cc(I)c1I 2125300265 ZFAURSOTFOVYBA-UHFFFAOYSA-N 634.084 3.570 50 10 KHGE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2267519342 GYICZDFINARLAF-UHFFFAOYSA-N 502.533 3.992 50 10 KHGE Cc1cc(Br)c(Oc2ncc(Br)cc2B(O)O)cc1NC(=O)OC(C)(C)C 2370431686 NSBZQYNJNVAXQZ-UHFFFAOYSA-N 501.968 3.734 50 10 KHGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)cc1Br 13976485 BFKIOOXISRUFFB-UHFFFAOYSA-N 509.382 3.504 50 10 KHGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc3cc4c(cc3nc12)OCO4 100947510 LKJRGLAGZPGJIZ-RPBOFIJWSA-N 523.933 3.710 50 10 KHGE Nn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1ccc(Br)cc1 104768546 IEHQMRYVGGCKGI-QPJQQBGISA-N 605.110 3.894 50 10 KHGE CC1CCN(Cc2c(C(=O)NN=Cc3c4ccccc4cc4ccccc34)nnn2-c2nonc2N)CC1 254397109 RKQPIFVBKNOIOK-UHFFFAOYSA-N 509.574 3.535 50 10 KHGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084387160 JMLKUWGBFTUMNJ-UHFFFAOYSA-N 565.402 3.921 50 10 KHGE C=CCOc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1 1084415630 PFZZHOUPEAFVBE-UHFFFAOYSA-N 507.612 3.644 50 10 KHGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748820 OHWUMQYIVRYBBK-UHFFFAOYSA-N 523.387 3.825 50 10 KHGE ClCc1nc2cc(I)ccc2n1CCn1cnc(I)c1 2237143507 ITPIYBFJLQGMTB-UHFFFAOYSA-N 512.520 3.881 50 10 KHGE C=CC[C@]1(CBr)CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2287847060 SJXCYJOBQSPGFN-LEWJYISDSA-N 501.418 3.536 50 10 KHGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314619851 GGJZOGVMGDRXRV-UHFFFAOYSA-N 540.576 3.720 50 10 KHGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 12403552 ACQVSBNMLTYFSF-FMIVXFBMSA-N 520.449 3.869 50 10 KHGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 100279587 HWGMXMLTWSQRIJ-AATRIKPKSA-N 572.235 3.542 50 10 KHGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccco1)[C@@H]2Br 100922390 FMQCMHHFAACWAN-ONERCXAPSA-N 513.024 3.726 50 10 KHGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 110557899 NMAGBQRUEIWHQY-LBKCIFGTSA-N 595.747 3.560 50 10 KHGE COc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1OC 725411946 GRNHDEGCFZASGA-UHFFFAOYSA-N 546.443 3.808 50 10 KHGE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2cccc(Br)c2)n1)NNC(=O)C1CCC1 1084151378 YEKWMRHWTKTFSQ-UHFFFAOYSA-N 558.462 3.632 50 10 KHGE O=C(COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 1084547339 RJDNRWWZNDOGGD-UHFFFAOYSA-N 584.698 3.766 50 10 KHGE O=S(=O)(SC(=S)NCCNC(=S)SS(=O)(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1615943434 FVEKPEJSWQTJFE-UHFFFAOYSA-N 575.244 3.517 50 10 KHGE COc1ccc(C(=O)NCCCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)cc1OC 1772720547 QFEGWASISBRMTJ-UHFFFAOYSA-N 609.632 3.618 50 10 KHGE C[C@@H](Br)COCc1cn(-c2cc(Br)ccc2I)nn1 2278383262 RGASEPDUSDJNBD-MRVPVSSYSA-N 500.960 3.934 50 10 KHGE O=C(c1ccc(Br)cc1I)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296392765 QTPYJAOCNLKPJV-GXTWGEPZSA-N 514.983 3.680 50 10 KHGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2350351022 AOHYVXDUFSWBNZ-OPAMFIHVSA-N 507.719 3.973 50 10 KHGE CN(CC[C@H](Br)c1cccs1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2366240459 IMFVZZJOIQVJIZ-OXJNMPFZSA-N 517.442 3.860 50 10 KHGE COc1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1I 16226921 JLGVWRWUDOAGRC-UHFFFAOYSA-N 511.319 3.918 50 10 KHGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1cc(I)ccc1Br 235615869 KRFCNOZBFMNVEV-WPRPVWTQSA-N 502.972 3.678 50 10 KHGE O=C(NN=Cc1cccc(I)c1)NN=Cc1cccc(I)c1 1084230863 YHDZEKNFXKLCJX-UHFFFAOYSA-N 518.096 3.563 50 10 KHGE COc1cc([C@H](C)OC(=O)ON2C(=O)CCC2=O)c([N+](=O)[O-])cc1OCCCC(=O)NCCSSc1ccccn1 1857792095 ZFTXYOZPURXCEF-INIZCTEOSA-N 608.651 3.992 50 10 KHGE C=C(C=O)[C@@H]1CC[C@]2(C)[C@H](C[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@H]([C@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)O 2080447375 LLOPBMFQDSMMHQ-FYBPLFLLSA-N 650.850 3.762 50 10 KHGE O=C(NCC12CC(CBr)(CO1)C2)c1cc(Br)ccc1I 2159586148 AZPYFMQXJPVFGL-UHFFFAOYSA-N 514.983 3.728 50 10 KHGE Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc(SC#N)c([N+](=O)[O-])c3)C2=O)ccc1Br 2297534389 SEEPFPZBHYVTJT-UHFFFAOYSA-N 502.306 3.818 50 10 KHGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1F 2381160356 AEBSCWIUZFBNFD-YHAMSUFESA-N 504.367 3.706 50 10 KHGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 9696135 JNPJQBOKEZHIEF-UHFFFAOYSA-N 514.401 3.839 50 10 KHGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 14662551 CSSXXUFPDIIGMB-UHFFFAOYSA-N 512.788 3.616 50 10 KHGE Nn1c(SCCCC(=O)N/N=C/c2cc(Cl)ccc2O)nnc1-c1ccc(Br)cc1 58990212 FJZWSWXGFFOSRT-FOKLQQMPSA-N 509.817 3.803 50 10 KHGE CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205775148 CXYDDYNNVDWKJB-BOBZGOHDSA-N 667.769 3.706 50 10 KHGE CCOc1cc(C=NNC(=O)CSc2nnc(C)s2)ccc1OS(=O)(=O)c1ccc(C)cc1 263628389 OTHRMEULCZWQAJ-UHFFFAOYSA-N 506.631 3.564 50 10 KHGE CCOc1cc(C=NNC(=O)CCC(=O)NN=Cc2cc(Br)c(O)c(OCC)c2)cc(Br)c1O 1772719816 YYHSKNSAQFPATL-UHFFFAOYSA-N 600.264 3.801 50 10 KHGE CSCC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1)C(=O)Nc1ccc(SC#N)cc1 1867250933 LRTTZMTWCYFFQA-RTBURBONSA-N 560.503 3.934 50 10 KHGE Cc1nc(I)c(I)n1-c1ncc(Br)c(CCl)n1 1942187966 FNSDJMUVDASTLT-UHFFFAOYSA-N 539.340 3.681 50 10 KHGE O=C(c1cc(I)ccc1Br)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189065916 IAAUEPUULGJJNI-YFKFIEJBSA-N 514.983 3.536 50 10 KHGE CCOc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314620341 NKPGFYQPCQKWKK-UHFFFAOYSA-N 536.556 3.975 50 10 KHGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(=O)OCC)cc1 14033117 NHZAUUHTFBMMFP-UHFFFAOYSA-N 501.605 3.537 50 10 KHGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40587856 WNGRKVJSHWEFBL-UHFFFAOYSA-N 508.274 3.793 50 10 KHGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCCc2ccccc2)c(Br)c1 100313625 DOKUHWPZDIXVCH-JOCHJYFZSA-N 536.426 3.880 50 10 KHGE COc1ccc(C(=O)NCCCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)cc1OC 100869822 GJIAODQLRPOZEM-KCSSXMTESA-N 579.606 3.609 50 10 KHGE COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1 254758606 FFGBMADLDRJMDJ-UHFFFAOYSA-N 542.434 3.509 50 10 KHGE CCOc1ccc(N(CC(=O)NN=C(C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)cc1 1083934730 PSCJXZWAZAUUCR-UHFFFAOYSA-N 508.600 3.644 50 10 KHGE Cc1sc2ncn(CC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c(=O)c2c1-c1ccccc1 1860769796 IHQSNZNJFRMAEH-UHFFFAOYSA-N 517.394 3.967 50 10 KHGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1956235162 XRIMEFSZSAIOGW-AOMKIAJQSA-N 511.413 3.626 50 10 KHGE C[C@@H](Br)CN1CCN(C(=O)c2cc(Br)ccc2I)CC1 2170216048 MGHFPNUSUJGVKR-SNVBAGLBSA-N 516.015 3.595 50 10 KHGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)c1 2296848527 APGCYAKHQHNMBD-UHFFFAOYSA-N 521.643 3.629 50 10 KHGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1I 100078811 WXKYHFWKCGFGKR-UHFFFAOYSA-N 588.427 3.810 50 10 KHGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 100201963 VTZQRTFCLFRALL-UHFFFAOYSA-N 571.453 3.676 50 10 KHGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 100210877 LGLNAMATUXZBLY-UHFFFAOYSA-N 545.253 3.713 50 10 KHGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101405742 DJHRYPRHOWNFET-ALFKQNEGSA-N 529.530 3.771 50 10 KHGE CC(=NNC(=O)C(=O)NN=C(C)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(NC(=O)c2ccco2)cc1 252593682 BLSRQFGCNNCEFL-UHFFFAOYSA-N 540.536 3.758 50 10 KHGE O=C(NN=C1C(=O)N(CN2CCCC2)c2ccc(Br)cc21)c1ccccc1Br 254704865 KLYQKLIMEDITSY-UHFFFAOYSA-N 506.198 3.746 50 10 KHGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 1083971294 NTSHNFQCWUFJNG-UHFFFAOYSA-N 511.600 3.838 50 10 KHGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(OCC(N)=O)cc2)cc1 1084562820 GBRXOOVSWJYKLS-UHFFFAOYSA-N 572.643 3.719 50 10 KHGE COc1cc(C=NNC(=O)CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720455 OQXYSLCLJFOKIX-UHFFFAOYSA-N 639.658 3.626 50 10 KHGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@@H](Br)C1 2075313792 GKMYTPYARQAMTJ-IUCAKERBSA-N 526.870 3.743 50 10 KHGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2ccc(Br)cc2I)C1 2142277066 LHUQYVXCCXWPPM-NWJBQHJCSA-N 520.927 3.922 50 10 KHGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2283964033 QWOFECUKAXVXOB-MQNRADLISA-N 508.330 3.537 50 10 KHGE COc1ccc(OC)c(C=NNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 2297672277 ZKLGANXWWPVVLS-HSZRJFAPSA-N 567.580 3.702 50 10 KHGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccccc1I 13979570 CRUBKDJBWQGXHH-UHFFFAOYSA-N 509.525 3.547 50 10 KHGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 14012675 GGFXKPIGJBADHT-UHFFFAOYSA-N 502.390 3.716 50 10 KHGE Nc1nonc1-n1nnc(C(=O)N/N=C/c2sc3ccccc3c2Br)c1-c1ccccc1 27519290 SZUWGHKOIHQTMM-AUEPDCJTSA-N 509.349 3.641 50 10 KHGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1I 100083436 GLTVRLZEFBCDRV-UHFFFAOYSA-N 538.194 3.621 50 10 KHGE CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OC 103796463 SLAOEJBFPRWCEU-FOKLQQMPSA-N 522.295 3.752 50 10 KHGE O=C(CCCCCCCC(=O)NNC(=O)c1cccc(I)c1)NNC(=O)c1cccc(I)c1 163596077 DLTFIBJXIWSTIW-UHFFFAOYSA-N 676.293 3.849 50 10 KHGE Cc1cc(-n2c(C)nc(I)c2I)ncc1CBr 1946532790 VHYRILMYBJYUOT-UHFFFAOYSA-N 517.934 3.988 50 10 KHGE CO[C@@H]1C[C@@H](NC(=O)c2cc(Br)ccc2I)C[C@H]1Br 2130822743 MURFMJWXCVOHHH-MKPLZMMCSA-N 502.972 3.724 50 10 KHGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1cc(I)ccc1Br 2195496973 PYOWYVFWOKYNJX-KOLCDFICSA-N 516.999 3.974 50 10 KHGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101332189 QIHJKLFPIMDAQN-KOEQRZSOSA-N 541.633 3.936 50 10 KHGE COc1cccc(/C=N\NC(=O)c2cccc(Cl)c2NS(=O)(=O)c2cccs2)c1O[C@H](C)C(=O)O 675031439 KHHOTSHGOUAATM-IFUVNARDSA-N 538.003 3.827 50 10 KHGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1083902640 QUGKZCKLCGHBSI-OVCLIPMQSA-N 507.284 3.782 50 10 KHGE COc1cc(C(C)=NNC(=O)c2ccccc2NC(=O)c2ccccc2Br)ccc1OCC(N)=O 1083911024 NUKRKYLVGIYCRA-UHFFFAOYSA-N 539.386 3.728 50 10 KHGE CC(C=Cc1ccccc1)=NNC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 2313589011 ZEWULEPVGRGHKO-UHFFFAOYSA-N 510.536 3.553 50 10 KHGE