smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)COc1ccc(Br)cc1 100081193 HKKLFFFHGXKGDM-UHFFFAOYSA-N 517.199 2.691 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1OC 1084199485 UMVDSAJWPZYGKI-MHZLTWQESA-N 638.743 2.762 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCBr)CCSCC1 2108228712 QKQNORGWGGYEPH-SFHVURJKSA-N 507.447 2.981 50 10 KFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccc(Br)cc3)nc12 2296722573 QRWHUSWDSARGPZ-QGZVFWFLSA-N 543.399 2.768 50 10 KFGE CC(=O)Nc1ccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2324171715 GNQZZZMDDGTAAG-UHFFFAOYSA-N 503.968 2.777 50 10 KFGE COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccc(Br)cc32)cc1 27527669 RWAGFWXNTTYCIE-VBQLIHKTSA-N 514.380 2.729 50 10 KFGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1081085406 DBGHEHHIWOPSRQ-UHFFFAOYSA-N 520.380 2.907 50 10 KFGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(CCN4C(=O)c5ccccc5C4=O)c4ccccc43)c2cc1C 1084164909 LTVAEGHMMJYBET-UHFFFAOYSA-N 520.549 2.816 50 10 KFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)c1 1084113991 PRCUTAQFGVOZRG-UHFFFAOYSA-N 541.582 2.601 50 10 KFGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1084388588 JDCDHFIRZOQZSQ-UHFFFAOYSA-N 527.530 2.868 50 10 KFGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 100111899 DUCVOVWQSCQRRP-UHFFFAOYSA-N 539.246 2.654 50 10 KFGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011457 MSECDHGXCYNBQH-UHFFFAOYSA-N 519.023 2.955 50 10 KFGE Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)NN=Cc1ccc(OCc2ccccc2)cc1 254616587 DUPDJWDDRMPXDD-UHFFFAOYSA-N 501.551 2.561 50 10 KFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2284980996 GOVCJOUEIFOCNC-MHZLTWQESA-N 500.404 2.979 50 10 KFGE COCCNS(=O)(=O)c1cccc(C(C)=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1 2297635221 OLYIEMBOXWDBDO-UHFFFAOYSA-N 536.657 2.628 50 10 KFGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(Br)c(OC)c(OC)c2)S(C)(=O)=O)cc1 1084067073 UHVUGHGFPNKRJV-ZDUSSCGKSA-N 514.398 2.780 50 10 KFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1OC 2313617072 BGCSZNFPXMPOJF-UHFFFAOYSA-N 508.394 2.889 50 10 KFGE Cc1cccc(OCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)COc3cccc(C)c3C)cc2)c1C 100187385 MTYZWJNDPAGREZ-UHFFFAOYSA-N 518.570 2.600 50 10 KFGE C[C@H]1CN([C@H](C)C(=O)O)[C@@H](C)CN([C@H](C)C(=O)O)[C@@H](C)CN([C@H](C)C(=O)O)[C@@H](C)CN1[C@@H](C)C(=O)NCCSSc1ccccn1 575228778 BVEXZTXAUQXVNC-HSMBVPJXSA-N 684.926 2.522 50 10 KFGE in-vitro O=C(CO[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21)NNC(=O)c1cccc(F)c1 36185388 UUUFZYHZZUZQKA-PERMCUBVSA-N 534.581 2.848 50 10 KFGE biogenic CCCOc1ccc(C(NC(=O)CI)NC(=O)CI)cc1OC 100917029 RJJGDTATSOIHRT-UHFFFAOYSA-N 546.143 2.585 50 10 KFGE COc1ccc(Br)c(C=NNC(=O)C(=O)NN=Cc2cc(OC)ccc2Br)c1 254816827 RTYZLQQVGFHDBS-UHFFFAOYSA-N 512.158 2.829 50 10 KFGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)cc1 17207121 PNERRXCYFVHIFW-UHFFFAOYSA-N 504.551 2.826 50 10 KFGE O=C(NNC(=O)c1cc(N2C(=O)c3ccccc3C2=O)cc(N2C(=O)c3ccccc3C2=O)c1)c1cccnc1 105368911 OEMQXOHBFUGNOL-UHFFFAOYSA-N 531.484 2.758 50 10 KFGE O=C(NN=Cc1ccc(O)cc1O)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccc(O)cc3O)cc2)cc1 1083928706 ARWDSSXLNBGMSQ-UHFFFAOYSA-N 574.571 2.870 50 10 KFGE N#Cc1ccccc1COc1ccc(C=NNC(=O)[C@H]2CCCNC2=O)cc1I 1084386943 IZDKBENPECAHCO-KRWDZBQOSA-N 502.312 2.718 50 10 KFGE C[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1nnc(CBr)s1 1877571713 YAFMZHFIOFOGLV-LBPRGKRZSA-N 501.428 2.880 50 10 KFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2080646025 MRSAGZDPJNTQNR-UHFFFAOYSA-N 501.618 2.626 50 10 KFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(COCCBr)CC1 2167395548 KXMKIFQXKVPILT-UHFFFAOYSA-N 501.443 2.762 50 10 KFGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)c1 12572518 RTYJBMUPAHVIJE-UHFFFAOYSA-N 507.528 2.870 50 10 KFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)ccc1Br 100081202 FYGBCDWYKKVQCW-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE NNC(=O)[C@H]1CC[C@H]1COc1c(I)cc(I)cc1I 2228967746 WHHIGUFOCFVSKN-XPUUQOCRSA-N 597.960 2.895 50 10 KFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F 2254205029 QLBYTSJXHAYULB-NEPJUHHUSA-N 507.597 2.825 50 10 KFGE COc1ccc(C=C2SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC 2295924249 IEMWMIFCKLWTOY-UHFFFAOYSA-N 521.642 2.613 50 10 KFGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@@H]2CCCNC2=O)cc1I 59151549 IZDKBENPECAHCO-YTIGJDNKSA-N 502.312 2.718 50 10 KFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2C(F)(F)F)c1CN1CCCc2ccccc21 254440645 IWKJDMCTDLGQIK-UHFFFAOYSA-N 511.468 2.968 50 10 KFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 12501584 IAPHZTPKEHBIGX-UHFFFAOYSA-N 510.357 2.979 50 10 KFGE COC(=O)c1ccc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)cc1P(c1ccccc1)c1ccccc1 200168966 CNGFGHYINHACJX-GMRNXGBVSA-N 764.882 2.853 50 10 KFGE CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1866592914 OIGCAPVSCLYOOI-JOCHJYFZSA-N 515.661 2.733 50 10 KFGE C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)C[C@](C)(O)CC(=O)O)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@@](C)(O)C/C=C/C(C)(C)OO)CC[C@@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 2080448798 VACNMKGQGOMANA-FKZUQPFPSA-N 941.118 2.940 50 10 KFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c1CSc1nc2ccccc2s1 254381337 LITLEZMTPMPUSA-UHFFFAOYSA-N 566.541 2.535 50 10 KFGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])c1ccccc1Cl 40658309 IFXFEIDEXIFYQN-UHFFFAOYSA-N 511.926 2.846 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1I 100082767 WUCLJVIBTHLYRQ-UHFFFAOYSA-N 534.719 2.811 50 10 KFGE CN(C)c1ccc(C=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1084416089 RLHUXHBFZMYCRK-UHFFFAOYSA-N 513.540 2.564 50 10 KFGE COc1cc(C(=O)NCC(=O)NN=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc(OC)c1OC 254485188 ITTOXOIICJMMQX-UHFFFAOYSA-N 509.490 2.951 50 10 KFGE CCN1C(=O)C(=NNC(=O)CCCC(=O)NN=C2C(=O)N(CC)c3ccc(C)cc32)c2cc(C)ccc21 1772720393 NCONRIJQJOJQDZ-UHFFFAOYSA-N 502.575 2.548 50 10 KFGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282292596 XOLGJZHSCOVHST-UHFFFAOYSA-N 519.520 2.565 50 10 KFGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 101067355 HZTZMWHFOUHIQB-UHFFFAOYSA-N 526.395 2.629 50 10 KFGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)cc1CSc1nc2ccccc2s1 254411666 NHEPBKPRFVMXIT-UHFFFAOYSA-N 606.694 2.739 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1OC 1084260535 NUORWWPJNBQHET-UHFFFAOYSA-N 526.571 2.996 50 10 KFGE CSc1sc(SC)c(C=NNC(=O)Cc2csc(N)n2)c1C=NNC(=O)Cc1csc(N)n1 1084416296 KCDXFLFFUHLFIX-UHFFFAOYSA-N 540.747 2.655 50 10 KFGE CCOc1ccc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OCC 1084563902 SBZWQKNSTPRORE-RUZDIDTESA-N 600.719 2.698 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745622 DFDJFPVZKZIADN-UHFFFAOYSA-N 520.458 2.950 50 10 KFGE C/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(OCC(=O)N(C)C)cc1 2059028606 NMSDMAITWNKJPW-BUVRLJJBSA-N 501.590 2.565 50 10 KFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccc(Br)cc3)nc12 2296722572 QRWHUSWDSARGPZ-KRWDZBQOSA-N 543.399 2.768 50 10 KFGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40657881 DDNYGGNRKVCXOU-UHFFFAOYSA-N 502.285 2.670 50 10 KFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(OC)c(I)c2)cc1 100078816 WXAMJJXDFYUFFG-UHFFFAOYSA-N 570.409 2.753 50 10 KFGE CCOC(=O)N1CCN(C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)CC1 223808820 FKHWPOYGRNRGOB-VCTJCVNCSA-N 524.611 2.819 50 10 KFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nscc1B(O)O 2269545973 LOZQGJGSWZDAPX-MWTRTKDXSA-N 507.421 2.954 50 10 KFGE O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)Nc2ccc(Oc3ccc(NC(=S)N[C@@H]4CS(=O)(=O)C[C@@H]4Cl)cc3)cc2)C1 59568400 HSHZQWQZTYGYMA-IYWMVGAKSA-N 623.631 2.861 50 10 KFGE O=C(Cn1nnc(-c2ccc(F)cc2)n1)NN=Cc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12 252625880 QRGKRATYISZMDC-UHFFFAOYSA-N 540.515 2.952 50 10 KFGE CCn1c(SCC(=O)NN=Cc2cc(OC)c(O)c(OC)c2)nnc1-c1ccc(OC)c(OC)c1 254300310 QWHQSPVAMPMOAG-UHFFFAOYSA-N 501.565 2.947 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2C)cc1I 100079365 ADZJYXGIHHUWAF-UHFFFAOYSA-N 533.775 2.976 50 10 KFGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 252596995 CNGPGOCQYYAHMA-UHFFFAOYSA-N 558.569 2.975 50 10 KFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748374 UMCUYSJAQYSROT-UHFFFAOYSA-N 519.514 2.736 50 10 KFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 1873777631 MZSCPBAUQDZKAJ-QGZVFWFLSA-N 506.028 2.905 50 10 KFGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 13985329 VAASHQACPWVAEV-UHFFFAOYSA-N 510.357 2.835 50 10 KFGE COc1ccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC 216730362 LAIYAUMKLZUIBW-PFONDFGASA-N 506.968 2.836 50 10 KFGE Nn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1ccccc1O 104768537 KTMJFJNQBWZZII-QPSGOUHRSA-N 542.213 2.838 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084237918 BGKOZQDVFAQYRV-UHFFFAOYSA-N 507.341 2.727 50 10 KFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747359 GQRLHVBCSQSTFS-UHFFFAOYSA-N 503.943 2.682 50 10 KFGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)C2CCC(C(=O)NNC(=O)c3ccc(NC(=O)C(C)C)cc3)CC2)cc1 100103738 PHXSXJWBBHMNRL-UHFFFAOYSA-N 578.670 2.904 50 10 KFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cc(OC)ccc3OC)cc2)cc1 1084058583 XFIDUMWNBFWYQX-UHFFFAOYSA-N 506.515 2.819 50 10 KFGE COC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084067079 QYACZPDUBAWGMK-UHFFFAOYSA-N 509.584 2.888 50 10 KFGE COC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084515048 OMZWXSQKOSZSIM-UHFFFAOYSA-N 569.636 2.639 50 10 KFGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 2059028674 XZJMJRGSHIJLDT-BWAHOGKJSA-N 561.711 2.639 50 10 KFGE C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)CC[C@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 2080447597 QDBRKNVBOYHAGZ-QHNRSWFSSA-N 796.992 2.773 50 10 KFGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1C 103646389 SNQBTIREZSIRDE-HKOYGPOVSA-N 520.611 2.763 50 10 KFGE COCc1cc(C)n(CC(=O)NN=Cc2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)c(=O)c1C#N 254619139 JRGZKPIYNOTCBF-UHFFFAOYSA-N 519.514 2.821 50 10 KFGE NNC(=O)C1(COc2c(I)cc(I)cc2I)CC1 2033726920 LGLCBRUORIEOCB-UHFFFAOYSA-N 583.933 2.649 50 10 KFGE COc1cc(C)c(C)cc1S(=O)(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770407 HGEOUNLFUITMQY-IUODEOHRSA-N 504.634 2.779 50 10 KFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2205522652 CKFVTQDOXLPSIY-XHCCPWGMSA-N 500.404 2.979 50 10 KFGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)cc(C)c1 14662935 OUYUTJVTSYUBQJ-UHFFFAOYSA-N 510.410 2.806 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1I 100083752 WKOFVTCQPJGNJI-WEVVVXLNSA-N 541.367 2.666 50 10 KFGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 252628048 SHDDVEOXKLYXSI-UHFFFAOYSA-N 507.213 2.596 50 10 KFGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/Nc1nnc(SCC(=O)NNC(=O)C(F)(F)F)[nH]1 253565326 HPJLHFPLWWOASP-RPPGKUMJSA-N 550.571 2.537 50 10 KFGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084169787 HXDBNANPTAZNFG-UHFFFAOYSA-N 541.561 2.916 50 10 KFGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)CNC(=O)c3ccccc3)cc2)cc1 1858671389 OZAATDYNCSXHLV-UHFFFAOYSA-N 523.596 2.816 50 10 KFGE COc1cccc(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3F)cc2)c1 1858957284 QUPULFCTMUVDGP-UHFFFAOYSA-N 533.490 2.915 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](CBr)(C(F)(F)F)C1 2167690535 SQJZSBUEUDKMHF-DLBZAZTESA-N 515.323 2.990 50 10 KFGE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2282589495 OMVJWFJOQMYCRQ-UHFFFAOYSA-N 500.496 2.838 50 10 KFGE CO[C@]1(NC(=O)CBr)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@H]21 162688665 YSKWRKCZWZYJBT-AZGAKELHSA-N 645.561 2.658 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccccc3O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530973 OSYNIELXSXHLKV-OVOXDJIPSA-N 538.641 2.821 50 10 KFGE biogenic CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 2314475956 GHNSYRJCNPEBJH-HSZRJFAPSA-N 567.693 2.780 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1I 100078873 ZKXLFIBZAJXXJQ-UHFFFAOYSA-N 534.719 2.811 50 10 KFGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 100318775 KZHAIIYSOXMHIU-HNNXBMFYSA-N 537.436 2.761 50 10 KFGE COc1cc(/C=N/NC(=O)c2nonc2C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc(Br)c1O 103750922 WHVSGRSMSTWJFT-ZPNKGADNSA-N 612.191 2.551 50 10 KFGE CCCCCC[C@@H]1[C@H]([C@@H](O)C(=O)[C@@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(OC)OC3=O 2080456003 SYAROURHSVAQRS-WOCFEMDSSA-N 504.576 2.526 50 10 KFGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 101341634 SHPCDFWPBQUWLC-OVVQPSECSA-N 617.684 2.962 50 10 KFGE CCN(C[C@](C)(CI)OC1CCN(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C 2270096660 YXEQQJIRRWVJFH-KRWDZBQOSA-N 504.431 2.878 50 10 KFGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCC(=O)N1CCOCC1 101758284 RGGUDAXGFVWLKO-AFUMVMLFSA-N 527.628 2.694 50 10 KFGE CCOC(=O)CN1C(=O)C(=NNC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 254312758 RJGIWEJZNHGKQY-NUGDCCSFSA-N 556.575 2.905 50 10 KFGE CCOc1cc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC)c(OCC)c2)C=3C#N)ccc1OC 252671791 OGPSPRBWFWXIBX-VWLOTQADSA-N 530.606 2.676 50 10 KFGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNc1nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]1 1084460671 HPJLHFPLWWOASP-UHFFFAOYSA-N 550.571 2.537 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CBr)C[C@H]1C(F)(F)F 2192563748 YTVRVQFFDLCYOD-XOKHGSTOSA-N 515.323 2.894 50 10 KFGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011528 AHTFZCILFCCVPY-UHFFFAOYSA-N 522.421 2.724 50 10 KFGE CCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H](C=C(C=O)C[C@]3(O)C(=O)C(C)=C[C@@H]32)[C@H]2C(C)(C)[C@]21OC(=O)CCC 256371636 BSSVCYJMQUYSRI-ZVZOOIFXSA-N 502.604 2.839 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1 1084539425 XGHRQKNGPMFXGX-UHFFFAOYSA-N 509.544 2.894 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)cc1 1083888114 ISICAHMYBIPOAS-UHFFFAOYSA-N 593.706 2.932 50 10 KFGE CCC[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)NC(C)=C1C(C)=O 20581911 JGAZRZZMJMROCC-HXUWFJFHSA-N 518.661 2.997 50 10 KFGE O=C1C(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)=CC(Br)=C/C1=C/NNC(=O)c1ccc([N+](=O)[O-])cc1 137579812 BCJJRTMXTQOZOC-WNHWIJTESA-N 555.301 2.825 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084462807 RIIBGCBEZDQRPQ-UHFFFAOYSA-N 554.341 2.569 50 10 KFGE CCOc1ccc(C=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1084597741 MZFBBCNXAAEGAF-UHFFFAOYSA-N 514.524 2.897 50 10 KFGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)=C(C#N)C1=O 2314621009 YOTKSYDLWLSUDM-UHFFFAOYSA-N 615.668 2.716 50 10 KFGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 100318822 SAZZTLBROSJLML-CYBMUJFWSA-N 523.409 2.514 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(COCCBr)CC1 2167397216 YCSXUXWYPVCFJD-UHFFFAOYSA-N 501.443 2.906 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CC[C@H](CBr)CO1 2364197940 QRZCRNBHLZWNCI-SJORKVTESA-N 501.443 2.953 50 10 KFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623566 USLFBOIYWSEEME-MRXNPFEDSA-N 519.421 2.532 50 10 KFGE COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)C(Cl)Cl)CC1 103045631 MZTXYMLWAVOPIF-UHFFFAOYSA-N 504.411 2.808 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084245757 KWIHSXJVOAYSHS-UHFFFAOYSA-N 528.543 2.966 50 10 KFGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CCN(CCNC(=O)OC(C)(C)C)CC1 2377090896 GYRGMLOTYGFCMA-UHFFFAOYSA-N 522.734 2.926 50 10 KFGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 101013282 CCILGHZKOZCVOR-FVIVVMBBSA-N 579.704 2.924 50 10 KFGE COc1ccc(C=NNC(=O)c2nnn(-c3ccc([N+](=O)[O-])cc3)c2C(=O)NN=Cc2ccc(OC)cc2)cc1 254615045 OJPCBDPZGQZRSL-UHFFFAOYSA-N 542.512 2.721 50 10 KFGE CC(C)[C@@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N(c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)[C@@H](CCCNC(N)=O)C(N)=O 669371063 UQRQGHMQKAXOTE-JTSJOTPCSA-N 737.767 2.572 50 10 KFGE Cc1cc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)ccc1Br 1872963203 ZSOVWHBNMGPSTL-DLBZAZTESA-N 500.397 2.887 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 12584291 GCYMIVMMGQWZLU-UHFFFAOYSA-N 509.132 2.508 50 10 KFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOC)c(Br)c2)cc1 14662138 USARFUGTJDIEOS-UHFFFAOYSA-N 510.410 2.751 50 10 KFGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 1084139612 CGBPMHFHRAYWEH-UHFFFAOYSA-N 518.526 2.978 50 10 KFGE COc1ccc(C=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c(OC)c1 1084191761 JPVAXBFABHMICT-UHFFFAOYSA-N 530.523 2.515 50 10 KFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CI)CC1 1949196826 HZNIUGZAIXCRCC-UHFFFAOYSA-N 504.390 2.786 50 10 KFGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)=C(C#N)C1=O 2314618296 KWTCFYUQGMVGLZ-UHFFFAOYSA-N 587.658 2.799 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1I 100126191 XBUSLXMTDYZSQR-UHFFFAOYSA-N 555.394 2.501 50 10 KFGE COc1cccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccccc3OC)cc2OC)c1 252596804 CMMWGECAVBUITR-UHFFFAOYSA-N 506.515 2.819 50 10 KFGE CC(=O)O[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083818446 VGYXHRLXTGSRIS-MYHRABSESA-N 586.710 2.646 50 10 KFGE N#CC1=C(c2ccco2)C2=C(N)C(/C(O)=C3/C(=O)ONN3c3ccc(OC(F)(F)F)cc3)=[S+]C2=NC1=N 1085980915 CMVGUWKQKGPAFR-UHFFFAOYSA-O 529.436 2.579 50 10 KFGE COc1ccc(OCc2ccc(/C=N/Nc3nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]3)o2)cc1 59880204 BBIKAVMRVOHPMI-YTRQYYDFSA-N 501.569 2.715 50 10 KFGE COC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100076062 RMKCJZKCEDVWBR-UHFFFAOYSA-N 547.225 2.719 50 10 KFGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)COc1ccccc1 100081392 ATUFEFSDVPTDLN-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE CC[C@](C)(NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866654068 CPVANDNDJALDJG-OFNKIYASSA-N 535.669 2.758 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1I 2313860534 AKHKMRPOKKJOMH-UHFFFAOYSA-N 526.312 2.557 50 10 KFGE Cc1ncc(CO)c(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c1O 254845419 CMBKXYWCYLDTEW-UHFFFAOYSA-N 519.377 2.915 50 10 KFGE CCOc1ccc(CCN2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OCC 1872962289 SFJIVOIBJHYWJJ-YADHBBJMSA-N 523.634 2.652 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1I 100078780 JHDLIWDOTOYPPU-UHFFFAOYSA-N 533.775 2.976 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084076270 ZUUQQAGLBIJKRI-UHFFFAOYSA-N 588.595 2.983 50 10 KFGE C/C(=N/NC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc2c(c1)OCO2 104768341 KLMCNSKRTNLTFA-FMCGGJTJSA-N 528.507 2.617 50 10 KFGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl 2267389676 RYZNDZNXMVSVBL-UHFFFAOYSA-N 517.240 2.779 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 100081312 LXUJMNYDXKUPSM-UHFFFAOYSA-N 562.196 2.600 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113169 RLWFRHADUZIEIT-WGOQTCKBSA-N 511.336 2.686 50 10 KFGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccc(OCC(N)=O)cc2)cc1 1084549624 OQTBSCMADWBLCK-UHFFFAOYSA-N 514.991 2.934 50 10 KFGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1I 13977140 QZMNGHTVBPWAIY-UHFFFAOYSA-N 503.749 2.968 50 10 KFGE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](OC(=O)CBr)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253534580 HQEHABLFHCPQHP-YBVZJTECSA-N 525.436 2.844 50 10 KFGE COC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 254742940 CONQIZFSKWAMGZ-UHFFFAOYSA-N 570.580 2.809 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCOCCCI 2316823265 ZIKMPALLJATMHV-UHFFFAOYSA-N 522.405 2.604 50 10 KFGE COc1cc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc(OC)c1OC 33145648 DZYMBPDNKXBWGB-YVLHZVERSA-N 505.549 2.514 50 10 KFGE CCOC(=O)C(C#N)=Cc1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cccn2c1=O 2296849757 NJOAFPNHDYSMDG-UHFFFAOYSA-N 501.543 2.524 50 10 KFGE COc1cccc(OCC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1859005941 VYDIGLZMAFMTQB-UHFFFAOYSA-N 529.527 2.818 50 10 KFGE CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860773405 XSDGARQHLDXMKF-VLQRYEJZSA-N 509.632 2.980 50 10 KFGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCCCn1ccnc1 2314476957 YRNRJEGNAHQRAY-UHFFFAOYSA-N 571.663 2.870 50 10 KFGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 10455900 IMPVARFDBCXNRA-UHFFFAOYSA-N 500.758 2.604 50 10 KFGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 214421855 YOTKSYDLWLSUDM-IMRQLAEWSA-N 615.668 2.716 50 10 KFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 14770979 XLRWUZJPKXMDEQ-UHFFFAOYSA-N 507.410 2.580 50 10 KFGE CCc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 504727400 KRZYBMJVFWZNJJ-USYVTKNRSA-N 520.316 2.583 50 10 KFGE biogenic Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1C 100051998 QDTBHWXEBFZOIW-UHFFFAOYSA-N 566.659 2.523 50 10 KFGE CCN(CC)c1c(/C=N/Nc2nnc(SCC(=O)NNC(=O)C(C)(C)C)[nH]2)c(C)nn1-c1ccccc1 253565665 HZQOGPBNHDPQCT-AFUMVMLFSA-N 526.671 2.877 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 254521989 OYBRAMBIFKAUGG-UHFFFAOYSA-N 524.555 2.728 50 10 KFGE O=C(COc1ccc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 1084031584 HMWXBRKIHRRIRC-UHFFFAOYSA-N 550.593 2.909 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 2164488743 YDLKTKZCAPGPFA-ZLENFMNRSA-N 515.323 2.846 50 10 KFGE CC(C)NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1 1084643368 VMSHCUOJWQFGEP-UHFFFAOYSA-N 512.588 2.524 50 10 KFGE CCOc1ccc(CCN2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OCC 1872962287 SFJIVOIBJHYWJJ-FGZHOGPDSA-N 523.634 2.652 50 10 KFGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2350357573 SFFLPJBITPBIML-VFNWGFHPSA-N 509.691 2.961 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)COc1ccccc1 100077565 CFHRDFXINMKBAM-UHFFFAOYSA-N 517.199 2.691 50 10 KFGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1C 12572222 DLZQNGTWYJCHFS-UHFFFAOYSA-N 507.410 2.886 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084524345 AUOKYTDSOULIRO-UHFFFAOYSA-N 610.649 2.744 50 10 KFGE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1858959970 AAJSPBXNYWIAQS-UHFFFAOYSA-N 530.471 2.919 50 10 KFGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(Br)c1O 1772760255 JGFKWSYQZYDANB-JTQLQIEISA-N 506.382 2.605 50 10 KFGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 1866626031 ZZWOKOOOJNFJNG-LJQANCHMSA-N 509.009 2.573 50 10 KFGE COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100284622 TZIRGQMZRZITSE-LQKURTRISA-N 571.608 2.610 50 10 KFGE Nc1cc(=O)nc(SCC(=O)NNC(=O)c2ccc(Br)cc2)n1-c1ccc(Cl)cc1 59060655 ONGFUBMSVUTDBJ-UHFFFAOYSA-N 508.785 2.784 50 10 KFGE Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](O)[C@H](O)[C@@H]3O)ccc12 616591430 YTHDSJIOVBDTQV-CEGHPUJGSA-N 576.718 2.864 50 10 KFGE CSCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866653827 AHBYACBGODUBCX-NHCUHLMSSA-N 567.736 2.711 50 10 KFGE C#CCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)C(C)C 2049389419 SLFWCAWEKPZIOY-AHWVRZQESA-N 624.651 2.736 50 10 KFGE CCOc1cc(/C=N/NC(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1O 39724900 CHRCXSLLHMRZLZ-BRJLIKDPSA-N 524.368 2.849 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3ccccc3O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 254908158 OSYNIELXSXHLKV-MIDXGQMNSA-N 538.641 2.821 50 10 KFGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCC#N)c(I)c1 1084361558 SWVQVCHJGSPFBL-BJMVGYQFSA-N 507.069 2.793 50 10 KFGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2cc([N+](=O)[O-])c(OC)cc2OC)c1C#N 1084457269 KIMFSOYQJVUKHI-UHFFFAOYSA-N 522.312 2.625 50 10 KFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](CBr)(C(F)(F)F)C1 2167690536 SQJZSBUEUDKMHF-IAGOWNOFSA-N 515.323 2.990 50 10 KFGE C[C@@]1(B(O)O)CCN(C(=O)c2cc(I)cc(I)c2I)C1 2368348176 IJBWMFJEMVZMQB-GFCCVEGCSA-N 610.764 2.579 50 10 KFGE COc1cccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 58991974 BZBQHWSRKPIIJY-YDZHTSKRSA-N 514.524 2.897 50 10 KFGE Nn1c(SCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nnc1-c1ccccc1O 1084014799 PKOCTWFKPHMFOJ-UHFFFAOYSA-N 542.213 2.838 50 10 KFGE COCc1cc(C)n(CC(=O)NN=Cc2ccc(Oc3nc(Cl)ncc3F)c(OC)c2)c(=O)c1C#N 254392539 PPHGGDAWIMQQPC-UHFFFAOYSA-N 514.901 2.709 50 10 KFGE Cc1nc(I)c(NS(=O)(=O)N2CCC(Br)CC2)c(I)n1 2178365218 GLSTZYUSCQWCKO-UHFFFAOYSA-N 587.019 2.510 50 10 KFGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OC)c(I)c1 14024115 ZHUMYQVIPMWDGF-UHFFFAOYSA-N 511.341 2.814 50 10 KFGE CCN1C(=O)/C(=N\NC(=O)CCCCC(=O)N/N=C2/C(=O)N(CC)c3ccc(C)cc32)c2cc(C)ccc21 38180196 DSATYROQKJPKBD-IEPGDLOPSA-N 516.602 2.938 50 10 KFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC)c(Br)c2)cc1 100215528 BHKGZMCYYJCAEJ-UHFFFAOYSA-N 524.393 2.739 50 10 KFGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 100318819 DMACKSQFAXRACF-AWEZNQCLSA-N 537.436 2.761 50 10 KFGE COc1cc(C)c(C)cc1S(=O)(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860770409 HGEOUNLFUITMQY-WFASDCNBSA-N 504.634 2.779 50 10 KFGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4[N+](=O)[O-])c(C)c32)cc1 101609514 QRJKKHVFJOHUHL-XIEYBQDHSA-N 525.543 2.898 50 10 KFGE Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2n2cnc3c(N)ncnc32)cc1 196912994 UECWDUYKBZLPTO-WGQQHEPDSA-N 535.699 2.771 50 10 KFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 101607200 AGOLMIFDRFEIRC-NHFJDJAPSA-N 519.514 2.979 50 10 KFGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)ccc1OCc1ccc(C)cc1 254816836 SBIJXJCJBOQGEB-UHFFFAOYSA-N 545.604 2.878 50 10 KFGE CCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H](C=C(C=O)C[C@]3(O)C(=O)C(C)=C[C@@H]32)[C@@H]2C(C)(C)[C@]12OC(=O)CCC 256371635 BSSVCYJMQUYSRI-HVTWAKRVSA-N 502.604 2.839 50 10 KFGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 1084123256 LYZJUANQNIXINB-UHFFFAOYSA-N 524.599 2.937 50 10 KFGE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 1866901682 DKIIYRLWWBPGIH-QFIPXVFZSA-N 509.632 2.684 50 10 KFGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccccc2I)c1 100076898 HWOFIIZHQOXHRT-UHFFFAOYSA-N 524.384 2.962 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1083992495 QXALZGKBAIZWRU-UHFFFAOYSA-N 585.311 2.691 50 10 KFGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(C)cc1 1084143329 UCLWRIKYJVVJCT-UHFFFAOYSA-N 524.599 2.522 50 10 KFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)c(Br)c1 13978601 ALSFSUHCZHRBDQ-UHFFFAOYSA-N 521.437 2.509 50 10 KFGE Cc1nc(I)c(NS(=O)(=O)CCCCCl)c(I)n1 2058125681 YLXDOGOKVSWPEU-UHFFFAOYSA-N 515.542 2.755 50 10 KFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2C)cc1Br 14662083 GKYBYXSDUUAWFV-UHFFFAOYSA-N 510.410 2.806 50 10 KFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40826193 DROFABSXYZYADT-NLRVBDNBSA-N 514.535 2.829 50 10 KFGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NCc2sc(Cl)cc2B(O)O)C1 2369892816 RQTPBPSSIPVBBF-HSZRJFAPSA-N 508.833 2.542 50 10 KFGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 13978762 SGXRQAZSLCXXOP-UHFFFAOYSA-N 502.774 2.591 50 10 KFGE COc1cccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)c1 254377885 KOCRHOJVLGSJKB-UHFFFAOYSA-N 524.599 2.937 50 10 KFGE CC[C@H](C)[C@H](CI)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2023039950 YEXGJZQKXSRBRG-XLWVJDPXSA-N 510.369 2.780 50 10 KFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623556 LTKBNLJHUJJMAQ-HNNXBMFYSA-N 519.421 2.532 50 10 KFGE COc1ccc(CC(=O)NN=C2C(=O)N(CN3CCCC3)c3ccc(Br)cc32)cc1OC 254871265 SUYYANMUYZFFOF-UHFFFAOYSA-N 501.381 2.929 50 10 KFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2283963988 NGHWEUGGEFIMJL-XHCCPWGMSA-N 500.404 2.979 50 10 KFGE C=CCNC(=O)C(=O)NN=Cc1cc(I)c(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 1084032808 PCRPATDPWQFKRN-UHFFFAOYSA-N 564.380 2.686 50 10 KFGE COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NN=Cc4ccccc4)cc1)N(C)CC3)OCO2 2297639055 VQVHVSZZHQATDA-QHCPKHFHSA-N 511.542 2.741 50 10 KFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOC)cc2)c(Br)c1 14657272 JJXYGHMDQLOGST-UHFFFAOYSA-N 510.410 2.751 50 10 KFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 100080166 GCQSLSYMSXQMSK-UHFFFAOYSA-N 523.409 2.911 50 10 KFGE O=C(O)CCCC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)Nc3ccc(N(CCCl)CCCl)cc3)CS[C@H]12 3943905 ZOYULASXKQQRQK-DENIHFKCSA-N 603.481 2.513 50 10 KFGE COC(=O)CN1C(=O)C(=NNC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 254533902 VYQUWECQUUMRNG-UWUSAIRYSA-N 542.548 2.515 50 10 KFGE COCc1cc(C)n(CC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)c(=O)c1C#N 254871319 WAWHISLIZSEONT-UHFFFAOYSA-N 512.158 2.556 50 10 KFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747907 VXQCNEQUWYLEOF-UHFFFAOYSA-N 519.514 2.979 50 10 KFGE CC(C)(C)[Si](OCCOCCOCCOCCOCCOCCO)(c1ccccc1)c1ccccc1 2049393401 GDPWFJJEZDXYHW-UHFFFAOYSA-N 520.739 2.638 50 10 KFGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)Cc4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])CC2)c1C 54520681 PLHRCTJJIOCXLK-UHFFFAOYSA-N 506.523 2.922 50 10 KFGE Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)n2n1 101475528 NVWDUBFXFNIBEA-UHFFFAOYSA-N 550.067 2.791 50 10 KFGE Nn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1ccncc1 104768643 KBEHTKLPJQFEII-QPSGOUHRSA-N 527.202 2.527 50 10 KFGE CNC(=O)Nc1ccc(C(=O)N/N=C\[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc1 253530980 PNZGSNYJSGYHLU-WAYZZNHYSA-N 594.709 2.866 50 10 KFGE biogenic O=C(CCCCCCCC(=O)NNC(=O)CCC(=O)Nc1ccccc1)NNC(=O)CCC(=O)Nc1ccccc1 100044272 AWVRCYJGFRNXCF-UHFFFAOYSA-N 566.659 2.850 50 10 KFGE CNC(=O)Nc1ccc(C(=O)N/N=C\[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 253530978 PNZGSNYJSGYHLU-GCVUORFMSA-N 594.709 2.866 50 10 KFGE biogenic COCc1cc(C)nc(OCC(=O)NN=Cc2cc(I)c(OC)c(OC)c2)c1C#N 1084080745 ACZCHKRRLKOHFA-UHFFFAOYSA-N 524.315 2.559 50 10 KFGE O=C(NN=Cc1cccc(Br)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1084416132 ZYEKPKQENBVWSZ-QHCPKHFHSA-N 591.509 2.663 50 10 KFGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)=C(C#N)C1=O 2314620546 QHOHYLNTDLGVKN-UHFFFAOYSA-N 659.721 2.732 50 10 KFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1 1084090582 XGKCILRWABHCHQ-UHFFFAOYSA-N 522.591 2.525 50 10 KFGE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](OC(=O)CBr)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253534578 HQEHABLFHCPQHP-JUMBPBSCSA-N 525.436 2.844 50 10 KFGE C[C@@H](COc1c(I)cc(I)cc1I)C(=O)NN 2301609555 XJCHQNNHZGZEHS-YFKPBYRVSA-N 571.922 2.505 50 10 KFGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 101335300 RWOXERKTRBFNLZ-NLRVBDNBSA-N 587.658 2.799 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 254487477 LOOAOQIWOSKCCZ-UHFFFAOYSA-N 542.526 2.686 50 10 KFGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC 254696995 HYTIUVJFJFOXDJ-UHFFFAOYSA-N 511.556 2.660 50 10 KFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC(F)(F)C(F)(F)CBr 2336540888 HLIVYHWWAFDENH-UHFFFAOYSA-N 503.312 2.894 50 10 KFGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 101340966 UTMNJEZYJVBCHA-PCLIKHOPSA-N 573.631 2.945 50 10 KFGE O=C(NN=Cc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1084527904 IADMXXKEPVTSSF-QHCPKHFHSA-N 547.058 2.554 50 10 KFGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OCCOC)c(Br)c1 14662152 ROAGBGIUXVPINE-UHFFFAOYSA-N 508.394 2.988 50 10 KFGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 58991876 ZRIAAWBFZHTFEQ-YDZHTSKRSA-N 514.524 2.897 50 10 KFGE COc1ccc(C(=O)NNC(=O)CCCC(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br 100050540 DWXWHSZFKHNMHH-UHFFFAOYSA-N 586.237 2.621 50 10 KFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)COc3ccc(C(=O)OCCC)cc3)cc2)cc1 150402969 UILDENXKXSDXBY-UHFFFAOYSA-N 634.642 2.500 50 10 KFGE OB(O)c1cc(Oc2c(I)cc(Cl)cc2I)ncc1F 2370029319 KZZSMXDSINUTDX-UHFFFAOYSA-N 519.244 2.555 50 10 KFGE CCOC(=O)N1CCN(C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)CC1 223808834 FKHWPOYGRNRGOB-UVSQXCFKSA-N 524.611 2.819 50 10 KFGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)N2CCC(Cl)CC2)CC1 2231890563 BBSOPNMUYQKYSR-UHFFFAOYSA-N 511.085 2.724 50 10 KFGE CSCC[C@H](NC(=O)[C@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C(C)C)C(=O)O 206154742 MCJMTARMCWUXDV-AZUAARDMSA-N 506.496 2.976 50 10 KFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041102 BBTXIQDKECOSEG-UHFFFAOYSA-N 510.528 2.767 50 10 KFGE O=C(CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1 20923133 QLXGBUMGKSAZLB-UHFFFAOYSA-N 502.535 2.753 50 10 KFGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 101335221 KWTCFYUQGMVGLZ-NLRVBDNBSA-N 587.658 2.799 50 10 KFGE CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1C#N 103865224 RWJCBLPWXXETMV-VULFUBBASA-N 548.381 2.923 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)[C@@H](Br)C1 1990922618 ZHADTJZDIZPQSJ-GJZGRUSLSA-N 508.232 2.625 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)Cc2ccccc2)cc1OC 1083902065 IIBLFNLKAHDRHY-UHFFFAOYSA-N 542.570 2.962 50 10 KFGE COc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc(OC)c1OC 1084387953 DFIQVEJAUFBTQO-UHFFFAOYSA-N 593.662 2.856 50 10 KFGE CC(=O)O[C@@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)CCl 2060321375 OEVPPNBQSYOUCV-HVQYYCKJSA-N 577.067 2.626 50 10 KFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1860770529 MECPTPMZTNODBK-JTQLQIEISA-N 501.417 2.899 50 10 KFGE CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@@]2(O)CCl 2069386075 LPWTVFWINSHGLS-IVDSKFSHSA-N 516.971 2.549 50 10 KFGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 2314476341 MYICVNXUBYIEDS-TYBLODHISA-N 609.730 2.547 50 10 KFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC(F)(F)C(F)(F)CI 2336530495 WYKBGHWQGULUEQ-CQSZACIVSA-N 554.275 2.636 50 10 KFGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686786 AXDOUACUAZLDFS-DEOSSOPVSA-N 502.575 2.767 50 10 KFGE NNC(=O)[C@@H]1C[C@@H]1COc1c(I)cc(I)cc1I 2028054055 XLHOMZNGAIYSRK-IYSWYEEDSA-N 583.933 2.505 50 10 KFGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl)Cc1ccccc1 2267385292 JNYGKPNPKCWVCR-UHFFFAOYSA-N 507.248 2.996 50 10 KFGE COc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1I 100043400 XEJSWIQIDGRMKF-UHFFFAOYSA-N 522.080 2.979 50 10 KFGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 110558342 MYICVNXUBYIEDS-NYGVDMHFSA-N 609.730 2.547 50 10 KFGE O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=O)NN=Cc1ccc(OC(=O)/C=C2/SC(=O)NC2=O)cc1 254596728 XIBOQXNTMRZFFZ-SWSBMQKNSA-N 568.571 2.624 50 10 KFGE N=C1O[C@H](c2ccc3c(c2)OCO3)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)C1=NNC(=O)c1cccc([N+](=O)[O-])c1 254696604 WDDKBPGBZKXTJH-JOCHJYFZSA-N 559.451 2.852 50 10 KFGE COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1OC 1922157 OPJWAHWGOOHWAH-GZIVZEMBSA-N 515.158 2.815 50 10 KFGE CCOc1cc(/C=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)ccc1O 104769592 NHZOFEKTFISZBE-FSJBWODESA-N 530.523 2.602 50 10 KFGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 195786551 YEJYGCSQLCXHSL-NIDMROIKSA-N 558.700 2.729 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CBr)C[C@@H]1C(F)(F)F 2192563747 YTVRVQFFDLCYOD-RRQGHBQHSA-N 515.323 2.894 50 10 KFGE COc1cc(CNC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ccc1B(O)O 2289466925 SSMXQKQTCRODLW-AREMUKBSSA-N 502.376 2.555 50 10 KFGE COc1ccc(S(=O)(=O)O)cc1P(CCCP(c1cc(S(=O)(=O)O)ccc1OC)c1cc(S(=O)(=O)O)ccc1OC)c1cc(S(=O)(=O)O)ccc1OC 169640527 QRWUNHONQDUYKK-UHFFFAOYSA-N 852.813 2.664 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 254402475 KIYXVPNYVWUDJY-SANMLTNESA-N 639.687 2.931 50 10 KFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)c(Br)c1 100081187 NWHSPJPGPDGUFP-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2164488740 YDLKTKZCAPGPFA-KHIZAZIESA-N 515.323 2.846 50 10 KFGE O=C(NOCCCNC(=O)c1scc(B(O)O)c1Cl)OCC1c2ccccc2-c2ccccc21 2247768483 SGRZIIHCMVGPOY-UHFFFAOYSA-N 500.769 2.672 50 10 KFGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 1083948432 NQXHCEORWQDJJN-UHFFFAOYSA-N 528.562 2.768 50 10 KFGE O=C(N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)NNCc1ccc(-c2cccc(C(=O)O)c2)o1 34877648 JDIQCDUUDIATLH-UVHMKAGCSA-N 516.466 2.874 50 10 KFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC)cc1 100196073 RHVSNBSYAOGSRO-UHFFFAOYSA-N 524.393 2.739 50 10 KFGE CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)O[C@@]3(C3OCCO3)[C@@H](Br)[C@@H]2Br)cc1 252427008 QXNVQAAAGNZOPA-DDIBIWTASA-N 531.197 2.632 50 10 KFGE CCCc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 1615168288 HYHMWEKPMRVSDV-VIYGXFRKSA-N 534.343 2.973 50 10 KFGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)CC1 150448219 PYHVQZNBAVNPMH-KDSDTBODSA-N 651.767 2.713 50 10 KFGE COc1ccc(Br)cc1/C=N/Nc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)[nH]1 104461440 WVJGHUFMHRMRSE-LSFURLLWSA-N 522.360 2.714 50 10 KFGE COC(=O)[C@H](I)CNC(=O)c1cc(Br)ccc1I 234592000 UUKBTHCNWFBMHC-SECBINFHSA-N 537.917 2.760 50 10 KFGE CCOC(=O)C1=C(C(=O)O)/C(=C(/N=P(c2ccccc2)(c2ccccc2)c2ccccc2)NC)C(=O)N(C)C1=O 1615948722 GVOSRLJDEKAVBQ-LCUIJRPUSA-N 557.543 2.538 50 10 KFGE Cc1ccc(N2C(=O)C(=CNNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c3ccccc3C2=O)cc1C 2042445102 WVGZQELPWLEVAJ-UHFFFAOYSA-N 560.632 2.787 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](OC(=O)CBr)CC[C@]34C=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 1848675461 HQEHABLFHCPQHP-SWCUPNEESA-N 525.436 2.844 50 10 KFGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254441169 NIRQGEUXXKELRE-UHFFFAOYSA-N 621.571 2.846 50 10 KFGE CC(C)[C@@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCCSSc2ccccn2)cc1 306147402 YMBCOKQFJNGLRV-IFMALSPDSA-N 591.760 2.603 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)[C@H](Br)C1 1897061562 ZHADTJZDIZPQSJ-HUUCEWRRSA-N 508.232 2.625 50 10 KFGE Cn1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)c(CCl)n1 2236201676 MCCVFGDGWIIZFH-UHFFFAOYSA-N 522.068 2.637 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CI)CC[C@]34C=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2294275708 XBEHGCBIBCOAIO-UBACXSKZSA-N 572.436 2.884 50 10 KFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1OCCc1ccccc1 13630296 OFMXZHMYUZMHAP-LJQANCHMSA-N 506.584 2.585 50 10 KFGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40658353 DGHDMGOHGZZALN-UHFFFAOYSA-N 502.285 2.670 50 10 KFGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] 40659551 LDRYHEQQDRMRKA-UHFFFAOYSA-N 519.349 2.935 50 10 KFGE COc1ccc2c(c1)/C(=N\NC(=O)CCCCCCCC(=O)N/N=C1/C(=O)N(C)c3ccc(OC)cc31)C(=O)N2C 100870117 LBMMCCZDFPFSIS-RPZUVYPISA-N 562.627 2.728 50 10 KFGE Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C=NNC(=O)Cc2nnc(N)s2)cc1 252621548 NBBHXDLJDBRNIM-UHFFFAOYSA-N 510.395 2.652 50 10 KFGE CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](CI)O[C@H](Oc2ccc(Cl)cc2)[C@H]1OC(C)=O 504057336 JYQSZRQLYLAOEK-ADHGMGHFSA-N 526.707 2.674 50 10 KFGE biogenic CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](CCBr)C1 2364189787 FHEOMOBKFXFCID-QGZVFWFLSA-N 500.459 2.574 50 10 KFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 100076914 OXJGQYUDFRVVPZ-UHFFFAOYSA-N 540.383 2.744 50 10 KFGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 100314075 RQEPLIOINWGRGC-QGZVFWFLSA-N 533.448 2.921 50 10 KFGE CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 216926990 GNQZZZMDDGTAAG-PEZBUJJGSA-N 503.968 2.777 50 10 KFGE CCOC(=O)N1CCN(C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@@H]2C)[C@@]35OO4)CC1 254902778 FKHWPOYGRNRGOB-POKYMYIWSA-N 524.611 2.819 50 10 KFGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 14662960 GOPHMVCZYXQLNM-UHFFFAOYSA-N 516.801 2.842 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084326202 ARAPLLLRRVEODT-UHFFFAOYSA-N 530.990 2.558 50 10 KFGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)ccc2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084497414 UAGZYHXLPNKAPC-UHFFFAOYSA-N 565.366 2.966 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2cc3ccc(OC)cc3nc2Cl)S(C)(=O)=O)c(OC)c1 1084513365 QBUANGPURVXGME-UHFFFAOYSA-N 506.968 2.830 50 10 KFGE COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)CCl)CC1)S(=O)(=O)c1ccccc1 103135135 XTCMFRRKDUETCE-UHFFFAOYSA-N 536.094 2.891 50 10 KFGE NCCSSCCNC(=O)c1cc(I)cc(I)c1O 2125297715 CSOIDLSHOWEHGW-UHFFFAOYSA-N 524.187 2.671 50 10 KFGE Cc1cccc(C)c1NC(=O)COc1ccccc1C=NNC(=O)C(=O)NCc1ccc2c(c1)OCO2 254382682 UGKRBQKIKGLOFZ-UHFFFAOYSA-N 502.527 2.816 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)CC1CCOCC1 2195481648 ISNOMFRKICLURF-KRWDZBQOSA-N 501.443 2.953 50 10 KFGE C#CCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccccc1I 198739642 QICOTTNPUDZFFQ-FOKLQQMPSA-N 540.155 2.946 50 10 KFGE Cc1c(N(CC(=O)NN=Cc2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 254403339 PPGDRODPKLLVDC-UHFFFAOYSA-N 503.584 2.830 50 10 KFGE COc1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 1084234113 ZALLUBKSJUCLCA-UHFFFAOYSA-N 529.546 2.960 50 10 KFGE Cc1cc(C=C(C#N)C(=O)OCC(=O)N(C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)c(C)n1CC(C)C 2297489620 HONGQNWPMKLXAA-UHFFFAOYSA-N 532.601 2.767 50 10 KFGE O=C(N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 15015349 RSQAIWRLOFQRDT-NDENLUEZSA-N 500.427 2.747 50 10 KFGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 100317999 KMCGERWKIHVCLV-GFCCVEGCSA-N 529.185 2.688 50 10 KFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2285022048 XMXLIDDIJPHUEI-MHZLTWQESA-N 500.404 2.979 50 10 KFGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1OC 1084057145 ARESMQFPGHADGE-UHFFFAOYSA-N 532.597 2.598 50 10 KFGE O=C(N/N=C/c1ccc(O)c(Br)c1)[C@H]1C[C@@H]1C(=O)N/N=C/c1ccc(O)c(Br)c1 103606158 KJXRGFGBWWNMBD-HYJOWDKTSA-N 524.169 2.859 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2176639936 KMZGEQKJIVEZOC-UFYCRDLUSA-N 505.381 2.930 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40826187 WJRORHFBJHKYQB-NLRVBDNBSA-N 502.499 2.960 50 10 KFGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 101332188 ULLBGXSOIKCTRU-LFVJCYFKSA-N 543.605 2.782 50 10 KFGE CCOC(=O)[C@@H](N)CCC(=O)OC(=O)[C@@H](c1ccccc1)N(CC)C(=O)[C@@H](N)CSCc1ccccc1 725427055 XOLXJBSGJCJZDB-WPFOTENUSA-N 529.659 2.577 50 10 KFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1nscc1B(O)O 2268678216 FWNZQHDVVYYKHE-WAIKUNEKSA-N 507.421 2.906 50 10 KFGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc(OC)c1OC 254833974 PQQMCFAVVKTOMP-UHFFFAOYSA-N 509.490 2.951 50 10 KFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2205475683 UZMNVJCZMQMGAN-UZTOHYMASA-N 500.404 2.979 50 10 KFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1 2325448699 CRDWUCCMVXCDTA-UHFFFAOYSA-N 530.050 2.525 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1OC 1084562814 FFVQIXZKBHMVOF-UHFFFAOYSA-N 526.571 2.996 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccccc2OC)cc1I 2313624950 MCOKKQDSBPVIFV-UHFFFAOYSA-N 511.341 2.657 50 10 KFGE CSCC[C@@H](NC(=O)[C@@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C(C)C)C(=O)O 206154790 MCJMTARMCWUXDV-QUCCMNQESA-N 506.496 2.976 50 10 KFGE Cn1c(=O)nc(O)c2c1nc(NN=C1C(=O)N(CCBr)c3ccccc31)n2C[C@@H](O)COc1ccc2ccccc2c1 254296072 XWQIOFWBYGPZOL-LJQANCHMSA-N 632.475 2.986 50 10 KFGE C[C@@H](Sc1n[nH]c(NN=Cc2cc(Br)c(O)c(Br)c2)n1)C(=O)NNC(=O)C1CCC1 1083920319 OICABPSAQALZCE-MRVPVSSYSA-N 561.260 2.909 50 10 KFGE CC(C)Oc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770322 CYVSXPPQSJNLKS-CABCVRRESA-N 504.634 2.941 50 10 KFGE CN1C(=O)C(=NNC(=O)CCCCCCCC(=O)NN=C2C(=O)N(C)c3ccccc32)c2ccccc21 254849485 UAOWCTUECRJGKJ-UHFFFAOYSA-N 502.575 2.711 50 10 KFGE O=C(CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 312135823 DTDHVYJZOQRMQL-FKBYEOEOSA-N 567.085 2.622 50 10 KFGE O=C(COc1ccc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)NC1CCCCC1 1084270221 WABAXCCVVDFWOT-SSEXGKCCSA-N 667.810 2.728 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1 1084636161 SMZPIKXIAYQULZ-UHFFFAOYSA-N 509.344 2.661 50 10 KFGE COc1ccc(-c2csc(CCN3C[C@@H](C(=O)N4CCC[C@@H](C(=O)NNc5ccccn5)C4)CC3=O)n2)cc1 1872962143 QICZZOULLIBUMF-RTWAWAEBSA-N 548.669 2.987 50 10 KFGE CCOc1ccc(/C=N/NC(=O)c2[nH]nc3c2CCC3)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2946113 OTJRJHOTGOTPSG-KZJXADQTSA-N 500.603 2.842 50 10 KFGE biogenic O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)Cc1ccccc1 12571282 ZKRYQBNXORFBHT-UHFFFAOYSA-N 501.200 2.855 50 10 KFGE O=C(/C=C/c1ccco1)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 12572909 MGJSCAIVKUIDQS-GQCTYLIASA-N 503.172 2.919 50 10 KFGE O=C(CN1CCOCC1)N/N=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 164562245 JRMBQLPWYMYNHL-YSURURNPSA-N 649.223 2.986 50 10 KFGE COc1ccc(Br)cc1/C=N/Nc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1 59819237 CZSRIMNAFDQZLB-UFFVCSGVSA-N 504.370 2.575 50 10 KFGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)c(=O)c1C#N 254745659 QKQYVQDNSVUZGP-UHFFFAOYSA-N 542.184 2.564 50 10 KFGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083817695 YEJYGCSQLCXHSL-MASCHLQQSA-N 558.700 2.729 50 10 KFGE CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc2c(c1)OCO2 59247053 JEDVPTKYQZDIPP-BRJLIKDPSA-N 520.380 2.938 50 10 KFGE O=C(CNC(=O)OCc1ccccc1)N[C@@]1(C(=O)O)C(I)=CC(I)=C(C(=O)O)[C@H]1I 888085982 PTQBWDVDGWVGEH-KDOFPFPSSA-N 752.037 2.762 50 10 KFGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 2297635248 XZJMJRGSHIJLDT-UHFFFAOYSA-N 561.711 2.639 50 10 KFGE C=CC[C@]1(O)C[C@H](CI)[N+]2(CC[N+]3(CC2)C[C@@](O)(CC=C)C[C@H]3CI)C1 100501299 PDTPGEOBPZEFOB-ZKIJNFIPSA-N 588.312 2.663 50 10 KFGE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 504045165 HQEHABLFHCPQHP-QWKARXNYSA-N 525.436 2.844 50 10 KFGE N#CSc1ccc(NC(=O)CNC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 1868145362 PXPLFRKNMZROJU-HNNXBMFYSA-N 501.615 2.913 50 10 KFGE Cc1nn(C)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2282557938 CACWYTDYSGGYMN-UHFFFAOYSA-N 500.496 2.664 50 10 KFGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1ccc(O)cc1 100081400 LVKZMLQAJQKASF-UHFFFAOYSA-N 517.199 2.940 50 10 KFGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N 1083897963 DNDDUFHSOTXXQW-UHFFFAOYSA-N 506.342 2.581 50 10 KFGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084234735 ASSUEBYPTALHEX-UHFFFAOYSA-N 568.568 2.685 50 10 KFGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c1 1084275555 WJPVSCKTFAGNOV-UHFFFAOYSA-N 508.556 2.952 50 10 KFGE O=C(CCc1ccc2c(c1)OCO2)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59152701 CNKKRHRRLSPYIF-JVCXMKTPSA-N 510.506 2.511 50 10 KFGE O=C(CCCCCC(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2 252626884 RHOLQPRRMXHCGB-UHFFFAOYSA-N 542.461 2.511 50 10 KFGE Cc1cccc(COc2ccc(C=NNC(=O)c3c(CN4CCCCC4)nnn3-c3nonc3N)cc2)c1 254698231 BCSUFKKVLUOAND-UHFFFAOYSA-N 515.578 2.870 50 10 KFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(OCCCBr)CC1 2207519927 RGCMJRYGVAMNEK-HXUWFJFHSA-N 505.406 2.607 50 10 KFGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c2)CC1 150448223 PYHVQZNBAVNPMH-FCYPAOMHSA-N 651.767 2.713 50 10 KFGE CNC(=O)Nc1ccc(C(=O)N/N=C\[C@]23CC[C@@H](O)C[C@@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 118917588 PNZGSNYJSGYHLU-YCYXTJLPSA-N 594.709 2.866 50 10 KFGE CC(=O)O[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616590966 VGYXHRLXTGSRIS-MUPNWXRXSA-N 586.710 2.646 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](OC(=O)CBr)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1848675462 HQEHABLFHCPQHP-XTBFCRSKSA-N 525.436 2.844 50 10 KFGE C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 2059028637 SELKTAOKOJSHBH-JJIBRWJFSA-N 548.668 2.724 50 10 KFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623568 USLFBOIYWSEEME-INIZCTEOSA-N 519.421 2.532 50 10 KFGE COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)CC2)cc1 33931685 LECSRTCAOBGDTI-DEZPSGRBSA-N 528.613 2.540 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 100077404 AQYISZFMJZJDMN-UHFFFAOYSA-N 532.170 2.834 50 10 KFGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 101493134 ZWXBGEIXKZJVHL-UHFFFAOYSA-N 522.305 2.979 50 10 KFGE O=C(NNC(=O)c1cc(NC(=O)c2ccccc2)cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 105602242 RFIXQRXCQPDSJS-UHFFFAOYSA-N 611.527 2.905 50 10 KFGE CCOc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OCC)c(OC)c2)C=3C#N)cc1OC 254311471 ZSIJDHWHOPUQMX-RUZDIDTESA-N 530.606 2.676 50 10 KFGE C[P@]1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338852458 OKUJPFOWCVXBFP-IIZOCFLVSA-N 505.371 2.901 50 10 KFGE O=C1CN(C(=O)c2cc(Br)ccc2I)CCN1CCBr 2171079483 OUWISJGCPSCLKG-UHFFFAOYSA-N 515.971 2.733 50 10 KFGE COc1cc(C=NNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1OS(=O)(=O)c1ccc(F)cc1 252617113 KMPIBWVOXKTNKZ-UHFFFAOYSA-N 565.543 2.734 50 10 KFGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2C)cc1COc1ccc(C(=O)OCC(C)C)cc1 254877925 OBTFPMFAKLIDLN-UHFFFAOYSA-N 548.560 2.705 50 10 KFGE CCOC(=O)c1ccc(N2C(=O)C(=CNNC(=O)[C@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 2042434528 BGLMKQDFXAHMCZ-XMMPIXPASA-N 513.506 2.852 50 10 KFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nscc1B(O)O 2269566918 LOZQGJGSWZDAPX-WAIKUNEKSA-N 507.421 2.954 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1I 100078697 PKFYMBHEYDQXFA-UHFFFAOYSA-N 581.173 2.854 50 10 KFGE C[P@@]1(=O)C[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](Br)C1 2338852459 OKUJPFOWCVXBFP-VUFWKLLHSA-N 505.371 2.901 50 10 KFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc21)c1ccc(-n2cccc2)cc1 254344146 SYCWZBINNCORPV-UHFFFAOYSA-N 508.546 2.740 50 10 KFGE CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1083818444 VGYXHRLXTGSRIS-LLQHYSMESA-N 586.710 2.646 50 10 KFGE C[C@H](Sc1n[nH]c(NN=Cc2cc(Br)cc(Br)c2O)n1)C(=O)NNC(=O)C1CCC1 1084506043 BGIIYVHMNSRALG-QMMMGPOBSA-N 561.260 2.909 50 10 KFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2283963981 NGHWEUGGEFIMJL-UZTOHYMASA-N 500.404 2.979 50 10 KFGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)cc1CSc1ccccn1 254386875 IODKIAMJIMTFQP-UHFFFAOYSA-N 548.633 2.678 50 10 KFGE Cn1c(=O)c2c(nc(NCCc3ccccc3)n2CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)n(C)c1=O 606630560 WANLUCPXOTZNGO-HNSNBQBZSA-N 565.634 2.818 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(O)cc3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530964 NJKACLJQQJZZGC-WBFWHOEVSA-N 538.641 2.821 50 10 KFGE biogenic C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCN3CCCC3=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253624548 VEPULSDQYCFBMC-RSWZUEEXSA-N 508.612 2.647 50 10 KFGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1 1084475857 UVIJEADGCNZQNL-UHFFFAOYSA-N 594.690 2.895 50 10 KFGE C[P@]1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338852460 OKUJPFOWCVXBFP-YAYPDYNLSA-N 505.371 2.901 50 10 KFGE CC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866654067 CPVANDNDJALDJG-NZQKXSOJSA-N 535.669 2.758 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2cc(C)ccc2C)cc1I 13976152 MRMFWWYXCCSCIS-UHFFFAOYSA-N 513.357 2.631 50 10 KFGE Nc1nonc1-n1nnc(CN2CCOCC2)c1C(=O)NN=Cc1ccccc1OCc1cccc2ccccc12 254395008 DEAFUXHLQLOKJV-UHFFFAOYSA-N 553.583 2.561 50 10 KFGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OC 1083945494 BRZYXJCJZNSHNV-UHFFFAOYSA-N 504.543 2.530 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1OC 254814235 CZPDPFMZJLIYKR-UHFFFAOYSA-N 512.544 2.953 50 10 KFGE O=C1CN(C(=O)c2cc(I)ccc2Br)CCN1CCBr 2171078995 HTUAINPUEGCKIU-UHFFFAOYSA-N 515.971 2.733 50 10 KFGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)c(C)c1 12572142 FECLLQUMTJNYLF-UHFFFAOYSA-N 507.410 2.886 50 10 KFGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 12572553 FVCZHIXDSWMYQC-UHFFFAOYSA-N 507.528 2.870 50 10 KFGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)CCCC(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)c1 100049178 SKFLPUFCWRXRJT-UHFFFAOYSA-N 566.659 2.523 50 10 KFGE C/C(=N\NC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc(Br)cc1 104769136 ZXCYOPIMFCLJIZ-UFFVCSGVSA-N 535.340 2.870 50 10 KFGE O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858957525 DMLZLQZRWFPERF-UHFFFAOYSA-N 514.472 2.839 50 10 KFGE COC(=O)c1ccccc1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2318462753 OWCXQBPMQJIECP-UHFFFAOYSA-N 504.952 2.606 50 10 KFGE CC1(C)O[C@@H]2O[C@H](C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 252427016 RGNOEWUAAKJJTL-JGLNRKDHSA-N 519.378 2.696 50 10 KFGE CCOC(=O)C(/C=C(\C#N)C(=O)OCC)=C(/N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20366411 GHVULNIXJUHLLP-UYVUBNSVSA-N 501.893 2.622 50 10 KFGE CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCCN4CCOCC4)c(OCC)c3)[C@@H]2C1 33716442 XZWYBEIJACNHEQ-SQHAQQRYSA-N 516.646 2.932 50 10 KFGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(CCO)c1C 59914326 DODOTYUNBLRZOD-BRJLIKDPSA-N 503.032 2.778 50 10 KFGE C[C@H](OCc1ccccc1)[C@H](NC(=O)C(=O)O)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 211992077 IYLRDJQQJKOWFD-XDHUDOTRSA-N 517.538 2.731 50 10 KFGE Cc1nn(CCO)c(C)c1C=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 1084359519 MZPBWBJGGKTSMR-UHFFFAOYSA-N 504.620 2.927 50 10 KFGE O=C(Nc1c(I)ncnc1I)C1CC(Br)C1 1991404817 BLCMPYZWZAUYQG-UHFFFAOYSA-N 507.895 2.798 50 10 KFGE O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)Nc2ccc(Oc3ccc(NC(=S)N[C@@H]4CS(=O)(=O)C[C@@H]4Cl)cc3)cc2)C1 59568401 HSHZQWQZTYGYMA-JVSBHGNQSA-N 623.631 2.861 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084625380 FNVJLAHKTKFDNP-AREMUKBSSA-N 640.715 2.732 50 10 KFGE COC(=O)[C@@H]1CCCN1C(=O)C1=C[C@H](NC(=O)c2ccccc2Br)[C@@H](OC(=O)NCCCl)[C@H](OC(=O)NCCCl)C1 1616173006 UZNLXSOKNHFUMM-UWHLTILDSA-N 678.364 2.709 50 10 KFGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)ccc1Br 12573622 SIAILTYAUGPWHY-UHFFFAOYSA-N 505.394 2.821 50 10 KFGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cn1ccc2ccccc21 14776661 IGSPWUDKAPYVAU-UHFFFAOYSA-N 505.394 2.765 50 10 KFGE CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)cc1 34990387 CNJHBXWWIMJQPS-HTXNQAPBSA-N 501.543 2.982 50 10 KFGE Cn1nnnc1SCC(=O)Nc1ccc(SSc2ccc(NC(=O)CSc3nnnn3C)cc2)cc1 105334886 KGWXBRQFWGPFCF-UHFFFAOYSA-N 560.716 2.995 50 10 KFGE O=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 254289059 HWRLXMAUOAMHBQ-UHFFFAOYSA-N 506.540 2.529 50 10 KFGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCOC 14663000 LBZDLMBTPQRFQI-UHFFFAOYSA-N 508.394 2.988 50 10 KFGE O=C(NCCS(=O)(=O)CCBr)c1ccc(I)c(Br)c1 2335761629 KKDSSQJNQGIMJX-UHFFFAOYSA-N 525.000 2.593 50 10 KFGE O=C(NNC(=S)NC(=O)c1ccccc1I)c1ccccc1I 100076866 SSGZXQJVFSZRGH-UHFFFAOYSA-N 551.147 2.845 50 10 KFGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1OC 100869827 HGXXIPRSUUSRLB-IBBHUPRXSA-N 581.578 2.838 50 10 KFGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1 1084377110 FDNVEAUYJYVDFC-VWLOTQADSA-N 610.689 2.723 50 10 KFGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c(Br)c1 12571149 QGKHJDGRXCGAPU-UHFFFAOYSA-N 505.394 2.821 50 10 KFGE O=S1(=O)C[C@H](NC(=S)Nc2ccc(Oc3ccc(NC(=S)N[C@@H]4CS(=O)(=O)C[C@@H]4Cl)cc3)cc2)[C@@H](Cl)C1 59568399 HSHZQWQZTYGYMA-LWYYNNOASA-N 623.631 2.861 50 10 KFGE CSc1sc(SC)c(/C=N/NC(=O)Cc2csc(N)n2)c1/C=N/NC(=O)Cc1csc(N)n1 100379962 KCDXFLFFUHLFIX-OXAZHYLESA-N 540.747 2.655 50 10 KFGE CN1CCN(CN2C(=O)C(=NNC(=O)CSc3nc4ccccc4o3)c3cc(Br)ccc32)CC1 254466739 GDZJTLLLAPNBEP-UHFFFAOYSA-N 543.447 2.754 50 10 KFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)c1 1084073670 YWHBSEMNXKWDMX-UHFFFAOYSA-N 541.582 2.601 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772747457 LZCNAJVTUSHKJK-UHFFFAOYSA-N 511.516 2.590 50 10 KFGE Cn1cc(S(=O)(=O)NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c(CCl)n1 2187398048 GEDWOUFUPHQKRW-UHFFFAOYSA-N 512.076 2.997 50 10 KFGE COc1cc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(OC)c1OC 10039795 QDUZXDZVAIASJB-UHFFFAOYSA-N 508.556 2.914 50 10 KFGE COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc(OC)c1OC 100551266 MGWHYCDWORWGTF-LIMNOBDPSA-N 545.184 2.823 50 10 KFGE CNC(=O)Nc1ccc(C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 2297642568 PNZGSNYJSGYHLU-UKNMDSFWSA-N 594.709 2.866 50 10 KFGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 10455861 VMLNKNZAHYMUCL-UHFFFAOYSA-N 500.758 2.604 50 10 KFGE Cc1cccc(C)c1OCC(=O)NN=C1C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21 1082733121 XRMAYSDANCORFU-FCHUYYIVSA-N 525.609 2.788 50 10 KFGE CCOc1c(I)cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)cc1OC 1084245668 CIGYCYMMAVXOLB-UHFFFAOYSA-N 538.342 2.949 50 10 KFGE CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](OC(=O)CC(C)(C)OC(C)=O)[C@]2(O)CCl 2069386076 LPWTVFWINSHGLS-JITXHHKSSA-N 516.971 2.549 50 10 KFGE O=C(OC(c1ccccc1)c1ccccc1)[C@H](N1C(=O)[C@@H]2N=C(c3ccccc3)O[C@H]21)[C@@](O)(CO)CCl 504116225 SUVJZPSWADVSLN-SRDJYALPSA-N 520.969 2.664 50 10 KFGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)NN=Cc1cc(O)cc(O)c1 13144252 ZUKFYYGDSLMVIU-UHFFFAOYSA-N 521.617 2.790 50 10 KFGE CNC(=O)Nc1ccc(C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 254343474 PNZGSNYJSGYHLU-YOPLWCGASA-N 594.709 2.866 50 10 KFGE CC(=O)O[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616590965 VGYXHRLXTGSRIS-MMBNBZRISA-N 586.710 2.646 50 10 KFGE O=C(NN=Cc1c(F)cccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 725425889 XBCJDZVPSRVUKC-QHCPKHFHSA-N 565.048 2.693 50 10 KFGE CC(=O)O[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1083818451 VGYXHRLXTGSRIS-XPLNXOJDSA-N 586.710 2.646 50 10 KFGE CC(CBr)(CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1936745589 PSMXABUEKNABMF-UHFFFAOYSA-N 510.248 2.921 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CI)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2294275716 XBEHGCBIBCOAIO-ZVZNRMFRSA-N 572.436 2.884 50 10 KFGE COCCNS(=O)(=O)c1ccc(C(C)=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 2297635200 CMQSZXWYHYWRAT-UHFFFAOYSA-N 536.657 2.628 50 10 KFGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc(C(=O)OC)c1 40705812 FELSCYKRJUFACJ-UHFFFAOYSA-N 515.324 2.895 50 10 KFGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1916367202 RCCFJNYSWWMEPF-SFHVURJKSA-N 509.422 2.915 50 10 KFGE Cc1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)c(=O)n(-c2ccccc2)n1C 2296727444 BJOYXZKQTBZPEZ-UHFFFAOYSA-N 503.540 2.938 50 10 KFGE O=C(C=Cc1ccco1)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 2313616997 MGJSCAIVKUIDQS-UHFFFAOYSA-N 503.172 2.919 50 10 KFGE CC[C@H](O)C(=O)OC(=O)c1c(I)c(NC(C)=O)c(I)c(NC(C)=O)c1I 95847844 WMYNAVXFQDMUQI-ZETCQYMHSA-N 700.005 2.872 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611498 NHNHANMMDCAQLZ-NLRVBDNBSA-N 505.487 2.807 50 10 KFGE O=C(N/N=C/c1cc(Br)ccc1O)c1nonc1C(=O)N/N=C/c1cc(Br)ccc1O 105651148 MSYKIPDUNVFCMU-KVJLFNRQSA-N 552.139 2.534 50 10 KFGE CSCC[C@@H](NC(=O)[C@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C(C)C)C(=O)O 206154767 MCJMTARMCWUXDV-UYAOXDASSA-N 506.496 2.976 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 100076494 LNQARNQATMBWNK-UHFFFAOYSA-N 532.170 2.834 50 10 KFGE COc1cc(C=NNC(=O)CSc2nnc(CNc3cccc4ccccc34)n2C)ccc1OCC(N)=O 254757509 VBESHWXURVLXGI-UHFFFAOYSA-N 533.614 2.696 50 10 KFGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)ccc1OCc1cccc2ccccc12 254806312 PMKYSSHQFZNRKF-UHFFFAOYSA-N 583.609 2.569 50 10 KFGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OC 1083906881 CAFHSIOVDUXWMW-UHFFFAOYSA-N 518.570 2.839 50 10 KFGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858956289 CIXBOCOTAVQDMU-UHFFFAOYSA-N 517.447 2.870 50 10 KFGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2023039949 YEXGJZQKXSRBRG-WBHUJUFNSA-N 510.369 2.780 50 10 KFGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 150497667 WNLAOAIMUUSINA-ZTKZIYFRSA-N 659.721 2.732 50 10 KFGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OC[C@@H]2CCCO2)c(Br)c1 13623299 XYIIKBACPNXQDT-MOPGFXCFSA-N 516.392 2.817 50 10 KFGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCC(=O)N1CCCCC1 256028430 LSDBHOAELFZYRH-UHFFFAOYSA-N 557.496 2.915 50 10 KFGE CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N(c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)[C@H](CCCNC(N)=O)C(N)=O 669371062 UQRQGHMQKAXOTE-JOMNFKBKSA-N 737.767 2.572 50 10 KFGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc(C)c1C 14663008 VLMDMHATUMPEMY-UHFFFAOYSA-N 510.410 2.806 50 10 KFGE Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)COc2c(C)cccc2C)cc1 100096386 IYWHKGPHQLADBC-UHFFFAOYSA-N 518.570 2.600 50 10 KFGE C=CCOc1ccccc1C(=O)NNC(=O)C1CCC(C(=O)NNC(=O)c2ccccc2OCC=C)CC1 100138201 GXMYMFHARPLXNN-UHFFFAOYSA-N 520.586 2.845 50 10 KFGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(Br)c1OC 19651404 OCVWXUFAHGIFDV-XARWVIDASA-N 520.409 2.908 50 10 KFGE O=C(CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 312135821 DTDHVYJZOQRMQL-BHIFYINESA-N 567.085 2.622 50 10 KFGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 101569008 YENQPILQTANBMD-UHFFFAOYSA-N 526.395 2.629 50 10 KFGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 254308500 KMQFJBVUJYSAON-UHFFFAOYSA-N 521.526 2.820 50 10 KFGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)ccc1OCc1ccccc1 254516311 UHCNKTHZBTZALS-SFHVURJKSA-N 545.604 2.958 50 10 KFGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1OC 1083946738 BGZRQVLDJVYQGH-HXUWFJFHSA-N 532.597 2.769 50 10 KFGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC 1083946737 BGZRQVLDJVYQGH-FQEVSTJZSA-N 532.597 2.769 50 10 KFGE N#CC(=Cc1cc(I)cc(I)c1O)c1[nH][nH]c(=N)c1C#N 2294623623 KBRSUQUKZDFYQL-UHFFFAOYSA-N 503.041 2.673 50 10 KFGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 102854468 YUXYUIPWCYAHGR-DPWKNNTCSA-N 507.528 2.666 50 10 KFGE O=C(NN=C[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc(Br)c(O)c(Br)c1 725421914 QNJLPGAFPHKGCU-LLVKDONJSA-N 540.193 2.697 50 10 KFGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860770290 BMRQUAWXDNFHKJ-RYUDHWBXSA-N 511.025 2.816 50 10 KFGE COC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 254622027 BMMIJIBZCJXUSL-UHFFFAOYSA-N 555.609 2.910 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772752159 WJRORHFBJHKYQB-UHFFFAOYSA-N 502.499 2.960 50 10 KFGE CC[C@H](NC(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866908861 MPBZLMXUGVVIAG-UPVQGACJSA-N 541.699 2.716 50 10 KFGE Cc1nc(I)c(I)n1Cc1cc(Br)cc(C(=O)NN)c1 2145240198 VEGRJZFKRMPHSW-UHFFFAOYSA-N 560.959 2.815 50 10 KFGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccc(Cl)cc1 1084066295 VRBSPWFZUYSLMF-UHFFFAOYSA-N 543.045 2.994 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1I 14003204 RVIUJNXCNQJKBS-UHFFFAOYSA-N 503.749 2.831 50 10 KFGE CCN(C[C@@](C)(CI)O[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2270093773 AOZGUDIYCZGOQG-RHSMWYFYSA-N 504.431 2.878 50 10 KFGE O=C(CCCC(=O)NNC(=O)COc1ccc2ccccc2c1)NNC(=O)COc1ccc2ccccc2c1 100049314 LIDVRIWTLFUFBO-UHFFFAOYSA-N 528.565 2.916 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 100076619 YUYKCPFZFZCOET-UHFFFAOYSA-N 532.170 2.834 50 10 KFGE COc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCC(=O)N/N=C/c1cc(OC)c(O)c([N+](=O)[O-])c1Br 104971674 KYYRJRCDYCHQOQ-DDLDAWIBSA-N 622.454 2.991 50 10 KFGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 214285514 RWOXERKTRBFNLZ-ITYLOYPMSA-N 587.658 2.799 50 10 KFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NS(=O)(=O)c2ccc(C)cc2)CCC3)cc1 40815308 ASTRXDARDCSHIH-LHLOQNFPSA-N 510.572 2.999 50 10 KFGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(CC)CC)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 254521106 MAYVDNJTFPNSRB-UHFFFAOYSA-N 606.600 2.673 50 10 KFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 9822050 SYBYOTXKMUGVIF-UHFFFAOYSA-N 510.410 2.887 50 10 KFGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1cccc(C)c1 59246808 AKWOZCXEQPXMBW-ZMOGYAJESA-N 523.371 2.970 50 10 KFGE COc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869880 ALDUFKUVZFHJRI-VWJSQJICSA-N 611.604 2.846 50 10 KFGE O[C@H](Cc1nc(CCl)cs1)Cn1cnc(I)c1I 2084026476 PJKVULIMCNBLHE-SSDOTTSWSA-N 509.538 2.891 50 10 KFGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c2)CC1 2314476523 PYHVQZNBAVNPMH-SANMLTNESA-N 651.767 2.713 50 10 KFGE O=C(NCCS(=O)(=O)CCBr)c1cc(Br)ccc1I 2335773630 UYVKFSQESPCXLC-UHFFFAOYSA-N 525.000 2.593 50 10 KFGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1ccccc1O 100081368 WUZXJIFNJMCCQM-UHFFFAOYSA-N 517.199 2.940 50 10 KFGE CCc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 504727398 KRZYBMJVFWZNJJ-JAZQRGJZSA-N 520.316 2.583 50 10 KFGE biogenic Nn1c(SCCCC(=O)NN=Cc2c[nH]c3ccccc23)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084057895 NUJRFWJRNRRPJA-UHFFFAOYSA-N 509.508 2.979 50 10 KFGE [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCSSc1ccccn1 2069666915 HOWHNLLNAUAGFY-UHFFFAOYSA-N 767.965 2.821 50 10 KFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14657283 VIPUHUPUYVGOAP-UHFFFAOYSA-N 516.801 2.842 50 10 KFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCOC)cc1 100203239 LHDHBEBLTHPPNJ-UHFFFAOYSA-N 523.409 2.772 50 10 KFGE CS(=O)(=O)N(CC(=O)NN=Cc1cc2c(cc1Br)OCO2)c1ccccc1Br 252608356 HJTGAGYVVDTPLU-UHFFFAOYSA-N 533.198 2.857 50 10 KFGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(N/N=C/c2cc(Br)cc(Br)c2O)[nH]1 253566038 IMACATFUKAQQSP-GWEZJUCKSA-N 549.249 2.765 50 10 KFGE CCOC(=O)CN1C(=O)C(=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 2293972384 JIJKLQQMEJRWRH-UHFFFAOYSA-N 540.532 2.616 50 10 KFGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)c(OC)c3)cc2OC)c1 254571182 SHKQCBMCSNBGOJ-UHFFFAOYSA-N 521.526 2.820 50 10 KFGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccc([N+](=O)[O-])cc1 1084266720 IPGBNNRYNJHXGZ-UHFFFAOYSA-N 514.491 2.851 50 10 KFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1c(F)cccc1B(O)O 2289648118 PGFFPTGIZQMZIF-AREMUKBSSA-N 504.367 2.728 50 10 KFGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1OC 1084509488 STISGPFFUKWFRN-UHFFFAOYSA-N 522.533 2.669 50 10 KFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)cc1 13976576 HOFQUSDCMBYRFF-BJMVGYQFSA-N 511.341 2.657 50 10 KFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813404 GQRLHVBCSQSTFS-YZSQISJMSA-N 503.943 2.682 50 10 KFGE Cc1cc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)ccc1Cl 100091601 OVADVPCUISEXJM-UHFFFAOYSA-N 539.416 2.923 50 10 KFGE COc1ccc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1Cn1nc(C)c(Br)c1C 20353685 LRCHUIJPVCMINL-LSFURLLWSA-N 504.345 2.883 50 10 KFGE CCN1C(=O)/C(=N/NC(=O)CC(=O)N/N=C2/C(=O)N(CC)c3ccc(Br)cc32)c2cc(Br)ccc21 100192415 AEUBDNIPAMUDRB-IABPKXMJSA-N 604.259 2.676 50 10 KFGE O=C(COc1ccc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)NC1CCCCC1 1084270220 WABAXCCVVDFWOT-PMERELPUSA-N 667.810 2.728 50 10 KFGE Cc1cc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)ccc1Br 1872963206 ZSOVWHBNMGPSTL-SJORKVTESA-N 500.397 2.887 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)[C@H](Br)C1 1990922617 ZHADTJZDIZPQSJ-GASCZTMLSA-N 508.232 2.625 50 10 KFGE CCOC(=O)CN1C(=O)/C(=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2ccccc21 97960474 IIKJJPPZRMJVDV-AFADPRSBSA-N 539.592 2.954 50 10 KFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OC(=O)c3ccco3)cc2)c1CN1CCCc2ccccc21 254822914 RECMIVYJDQHDBJ-UHFFFAOYSA-N 553.539 2.761 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745772 GYRHSHJAMDYJCL-UHFFFAOYSA-N 520.458 2.950 50 10 KFGE O=C(CCN1C(=O)C(=Cc2ccc(N(CCBr)CCBr)cc2)SC1=S)ON(CCO)CCO 2297580412 HPNGXAQKODDFMV-UHFFFAOYSA-N 625.405 2.619 50 10 KFGE C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCN2CCCC2=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254607507 VEPULSDQYCFBMC-WXHVGUIUSA-N 508.612 2.647 50 10 KFGE C[C@H]1CN([C@H](C)C(=O)O)[C@@H](C)CN([C@@H](C)C(=O)NCCSSc2ccccn2)[C@@H](C)CN([C@H](C)C(=O)O)[C@@H](C)CN1[C@@H](C)C(=O)O 575418196 BVEXZTXAUQXVNC-BLLMDGODSA-N 684.926 2.522 50 10 KFGE in-vitro NNC(=O)[C@H]1CC[C@@H]1COc1c(I)cc(I)cc1I 2228967745 WHHIGUFOCFVSKN-SVRRBLITSA-N 597.960 2.895 50 10 KFGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295829723 RPOWFEUIQXHFJU-UHFFFAOYSA-N 502.439 2.973 50 10 KFGE Cc1nc(I)c(NC(=O)[C@@H]2C[C@@H]2Br)c(I)n1 1897160299 RQJMNZKXOXLCAX-UHNVWZDZSA-N 507.895 2.716 50 10 KFGE N#CC(=CNCCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318455353 RPYBLGXPHQHOJD-UHFFFAOYSA-N 529.666 2.807 50 10 KFGE O=C(N/N=C/c1ccc(O)c(Br)c1)[C@H]1C[C@H]1C(=O)N/N=C/c1ccc(O)c(Br)c1 103606147 KJXRGFGBWWNMBD-HQTDKIKUSA-N 524.169 2.859 50 10 KFGE COCc1cc(C)n(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c(=O)c1C#N 254628818 JILHDMQWDHZFGY-UHFFFAOYSA-N 501.543 2.651 50 10 KFGE O=C(NN=CCCCC=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084164264 IDHXMDXMOQEKCA-UHFFFAOYSA-N 516.383 2.621 50 10 KFGE CC[C@@H](NC(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866908859 MPBZLMXUGVVIAG-ISKFKSNPSA-N 541.699 2.716 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H](Br)CBr 1901044325 HBACIRNIAGVZPS-CYBMUJFWSA-N 510.248 2.921 50 10 KFGE COC(=O)[C@@H](I)CNC(=O)c1ccc(Br)cc1I 2086148106 WSYSGJKJLUSPBA-VIFPVBQESA-N 537.917 2.760 50 10 KFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccccc2I)cc1OC 2294683212 DXYTZZNCGDYFKD-UHFFFAOYSA-N 511.341 2.657 50 10 KFGE Cc1cc(Br)cc(Br)c1OCC(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 100055237 RUTFEQJGIQEFCD-UHFFFAOYSA-N 523.159 2.817 50 10 KFGE COc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1I 105543990 PUGVNHWFADFFES-UHFFFAOYSA-N 522.080 2.979 50 10 KFGE COc1cc(C(C)=NNC(=O)c2cc(I)cc(I)c2O)ccc1OCC(N)=O 1084269583 FXPZNRQTKBAZMV-UHFFFAOYSA-N 609.158 2.628 50 10 KFGE C#CCCCO[Si](OC(C)(C)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)(c1ccccc1)c1ccccc1 1857791742 DJUQDDBYPFLTPN-HKGQQODZSA-N 827.130 2.883 50 10 KFGE O=C(NCCOCCOCCOCCOCCOCCBr)OCC(Cl)(Cl)Cl 2060005236 BYDLIYZERZQMSG-UHFFFAOYSA-N 519.644 2.561 50 10 KFGE C=CCOc1ccccc1C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2OCC=C)cc1 100138200 QPRBJMZRDZATBJ-UHFFFAOYSA-N 514.538 2.966 50 10 KFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 100228384 QAJFIAKENYFXOE-UHFFFAOYSA-N 524.393 2.739 50 10 KFGE CCNc1ccc(C(=O)NN=Cc2ccc(OCC(=O)N3C[C@H](C)O[C@@H](C)C3)c(OC)c2)cc1[N+](=O)[O-] 254745536 ILXRURPFUNRLQT-IRXDYDNUSA-N 513.551 2.814 50 10 KFGE CCOC(=O)[C@@H]1[C@H]2[C@@H]([C@H]3NC(=N)NN[C@H]3[C@H]3CC[C@@H](Br)C[C@H]32)N(Cc2ccccc2)[C@H]1C 605810188 ZVGVUMTWQUDBKD-ILZWNHFRSA-N 504.473 2.618 50 10 KFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c1 1084274125 IIVZOBWDXYUYPG-UHFFFAOYSA-N 511.556 2.593 50 10 KFGE COC(=O)COc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OC 100284213 VUBFKDCUOAGNIB-NSTHGIQOSA-N 526.327 2.816 50 10 KFGE COc1ccccc1OCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859005979 XPUYTZHYVMHBTM-UHFFFAOYSA-N 529.527 2.818 50 10 KFGE CN(C1(CBr)CCSCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2114719013 MNYHBVSLAYLSJL-SFHVURJKSA-N 507.447 2.933 50 10 KFGE NNC(=O)c1cc(Br)cc(Cn2cnc(I)c2I)c1 687186431 WWZKNZDGBOSHRZ-UHFFFAOYSA-N 546.932 2.507 50 10 KFGE NNC(=O)C(F)(F)CCOc1c(I)cc(I)cc1I 2121978382 GYNZXWAWKZDFTP-UHFFFAOYSA-N 607.902 2.895 50 10 KFGE NNC(=O)[C@@H]1CC[C@@H]1COc1c(I)cc(I)cc1I 2228967743 WHHIGUFOCFVSKN-HTRCEHHLSA-N 597.960 2.895 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 101619179 YHPLMVCIEWWSOX-XIEYBQDHSA-N 529.506 2.729 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@]1(CBr)CCCOC1 2364204106 BHJYRYZGRVGNCT-OAQYLSRUSA-N 501.443 2.954 50 10 KFGE Cc1cccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)S(C)(=O)=O)c1C 8670651 CINHDIPRDXVMTA-UHFFFAOYSA-N 512.588 2.508 50 10 KFGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)ccc1OCc1ccc(C(=O)OC)o1 254738801 LXFDOJJBIOISBH-UHFFFAOYSA-N 602.564 2.933 50 10 KFGE Cc1nc(I)c(NC(=O)[C@@H]2C[C@H]2Br)c(I)n1 1897152958 RQJMNZKXOXLCAX-RFZPGFLSSA-N 507.895 2.716 50 10 KFGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 100140947 PDCZWCFTTJKECT-UHFFFAOYSA-N 530.169 2.994 50 10 KFGE COC(=O)c1cc(B(O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887520214 KQRKHBVIZVJVEK-UHFFFAOYSA-N 500.360 2.533 50 10 KFGE CC(C)(C)OC(=O)NCCC1(Oc2ncc(Br)cc2B(O)O)CCN(Cc2ccccc2)CC1 2240287407 NXABTZKRVVUKQF-UHFFFAOYSA-N 534.260 2.852 50 10 KFGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325904351 XSDGARQHLDXMKF-QGZVFWFLSA-N 509.632 2.980 50 10 KFGE CC(=O)O[C@@H]1[C@@H](OC(C)=O)O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616590970 VGYXHRLXTGSRIS-ZKZHHWRMSA-N 586.710 2.646 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1 1083973841 AYRFQJYKZDCCEO-UHFFFAOYSA-N 523.571 2.937 50 10 KFGE O=C(NN=Cc1cccc(Br)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1084416126 ZYEKPKQENBVWSZ-HSZRJFAPSA-N 591.509 2.663 50 10 KFGE CSCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866653826 AHBYACBGODUBCX-LEWJYISDSA-N 567.736 2.711 50 10 KFGE Cc1cc(Br)ccc1N1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872962660 VQJZXEIOIPENOY-SJORKVTESA-N 500.397 2.887 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)C[C@H]1CCOC1 2364215835 XHCQECVFGJZZLB-SJORKVTESA-N 501.443 2.953 50 10 KFGE COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc(OC)c1OC 100083502 IZXNOWCDJKNUFI-UHFFFAOYSA-N 529.356 2.575 50 10 KFGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 100318763 SSAYKRSAIYVCIK-CYBMUJFWSA-N 523.409 2.515 50 10 KFGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)c1OCc1ccccc1 254488117 RCGMZQWZLPLIRC-UHFFFAOYSA-N 531.577 2.570 50 10 KFGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccccc1[N+](=O)[O-] 1083909594 KDJPXPXCBHWJIJ-UHFFFAOYSA-N 514.491 2.851 50 10 KFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2sc(B(O)O)cc2C1 2268679563 GBBHXMAXMMINCP-RUZDIDTESA-N 504.417 2.876 50 10 KFGE O=C(COc1ccccc1Cl)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1 100063203 NIJSJODZADDNRJ-UHFFFAOYSA-N 531.352 2.673 50 10 KFGE CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2cc(Br)ccc21)c1ccc2c3c(cccc13)CC2 103748740 NRBDQGGTFCXVNU-UHFFFAOYSA-N 527.400 2.940 50 10 KFGE COC(=O)c1ccc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)cc1P(c1ccccc1)c1ccccc1 196603384 CNGFGHYINHACJX-HKAUHCRWSA-N 764.882 2.853 50 10 KFGE CC(=O)O[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 210202779 VGYXHRLXTGSRIS-JPHCZMGXSA-N 586.710 2.646 50 10 KFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC1CCOCC1 2195485655 UQZZDFLBQXAXML-INIZCTEOSA-N 501.443 2.808 50 10 KFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2355582548 KMZGEQKJIVEZOC-AQNXPRMDSA-N 505.381 2.930 50 10 KFGE O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 103864681 LBFBKKOAYKDGSS-WSDLNYQXSA-N 524.315 2.561 50 10 KFGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 214423005 WLVLQWWQRQUOKZ-XYGWBWBKSA-N 573.631 2.945 50 10 KFGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084189032 DCKDFSTXZANHQY-UHFFFAOYSA-N 545.017 2.948 50 10 KFGE COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC 100869957 UUKDFJJYTMAIPB-IBBHUPRXSA-N 581.578 2.838 50 10 KFGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(F)cc1 103864887 GIRYVEZLKCAYLZ-WYMPLXKRSA-N 527.334 2.800 50 10 KFGE BrCCOCCN1CCN(c2ncc(I)cc2Br)CC1 2189908020 XONVWVUNXZSRCG-UHFFFAOYSA-N 519.019 2.982 50 10 KFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(OCCc2ccccc2)cc1 13630268 WRYXAEXQOBYOGU-HXUWFJFHSA-N 506.584 2.585 50 10 KFGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100179981 GGTSHBDXKZETLM-UHFFFAOYSA-N 591.278 2.735 50 10 KFGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)c1 254353378 WXDFIZQLGPEPKE-UHFFFAOYSA-N 551.552 2.829 50 10 KFGE CNC(=O)Nc1ccc(C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 2297642565 PNZGSNYJSGYHLU-AZKGUJRQSA-N 594.709 2.866 50 10 KFGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 14660722 DVTNHJBZIYYLBB-UHFFFAOYSA-N 516.801 2.842 50 10 KFGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 254615674 IMVPQPDIIGWNAR-HOBFDAEQSA-N 504.455 2.959 50 10 KFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCc3ccccc3F)cc2)c1CN1CCCCC1 254627123 NYSHZXODIPASKZ-UHFFFAOYSA-N 519.541 2.700 50 10 KFGE Nn1c(SCCCC(=O)NN=Cc2cc(Cl)ccc2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084530855 JHUYSBBRPNRTBZ-UHFFFAOYSA-N 520.915 2.857 50 10 KFGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2350357571 SFFLPJBITPBIML-BTYIYWSLSA-N 509.691 2.961 50 10 KFGE O=C(CO[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@@H]21)NNC(=O)c1cccc(F)c1 20615607 UUUFZYHZZUZQKA-LBVSQVJBSA-N 534.581 2.848 50 10 KFGE biogenic CCOC(=O)CN1C(=O)/C(=N\NC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 102035254 RJGIWEJZNHGKQY-GFHUYSJQSA-N 556.575 2.905 50 10 KFGE CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)[C@@H](C)Cl)CC1 103064094 DNRSCOUADNCINQ-GOSISDBHSA-N 536.522 2.975 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297580322 HQEHABLFHCPQHP-UBACXSKZSA-N 525.436 2.844 50 10 KFGE Cn1cc(I)c(CC(CBr)(CBr)[C@H]2CCS(=O)(=O)C2)n1 2367625117 PTXDTVZXXHFTET-VIFPVBQESA-N 540.059 2.778 50 10 KFGE CSCC[C@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C(=O)N[C@@H](C(=O)O)C(C)C 206154896 FONATSFQSZKLHS-AZUAARDMSA-N 506.496 2.976 50 10 KFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](CBr)(C(F)(F)F)C1 2167690538 SQJZSBUEUDKMHF-SJORKVTESA-N 515.323 2.990 50 10 KFGE CCN(CCBr)CCC[C@H](C)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2204136710 BHEWVTXDDAXMBU-KRWDZBQOSA-N 502.475 2.868 50 10 KFGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 214419978 UTMNJEZYJVBCHA-XYGWBWBKSA-N 573.631 2.945 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1OC 1084096889 SWXNJRVDDDUEBT-UHFFFAOYSA-N 526.571 2.996 50 10 KFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1OC 2313617265 VPCGQMIWVZJLOT-UHFFFAOYSA-N 508.394 2.889 50 10 KFGE COc1ccc(-c2ccc(/C=N\NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)c([N+](=O)[O-])c1 27519347 MFKCESGVMUCPDZ-GATIEOLUSA-N 502.447 2.996 50 10 KFGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1 100141157 CZJXVAMTKNGSOB-UHFFFAOYSA-N 628.679 2.523 50 10 KFGE Cc1nc(I)c(NS(=O)(=O)C[C@@H](C)CCl)c(I)n1 2058124649 LMWCBXYGFYVLRT-YFKPBYRVSA-N 515.542 2.611 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccncc3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530952 KOOLFLATVPVRQD-HKQIDODKSA-N 523.630 2.510 50 10 KFGE biogenic C[C@@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](OC(=O)CBr)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253534579 HQEHABLFHCPQHP-VVHKTUBJSA-N 525.436 2.844 50 10 KFGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C(C)=C(C#N)C1=O 2314620772 UTMNJEZYJVBCHA-UHFFFAOYSA-N 573.631 2.945 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1I 100279553 AKHKMRPOKKJOMH-VMPITWQZSA-N 526.312 2.557 50 10 KFGE N#CC1=C(N)n2c(s/c(=C/c3cc(Br)ccc3O)c2=O)=C(C#N)[C@@H]1c1cc(Br)ccc1O 101660007 JEVZVNWWWPIYHH-BAJDGBACSA-N 572.238 2.797 50 10 KFGE O=C(CSc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)NNC(=O)c1ccc(Cl)cc1 1083936587 ITRAIZRYLZFSKZ-UHFFFAOYSA-N 524.788 2.926 50 10 KFGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cnn(C)c1 1084466655 ISYUFMDUIZCDHI-UHFFFAOYSA-N 536.403 2.657 50 10 KFGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c(=O)c23)cc1 1860770742 VNOUGNSYLULWSV-UHFFFAOYSA-N 508.472 2.711 50 10 KFGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 254615675 IMVPQPDIIGWNAR-KDGIIAFCSA-N 504.455 2.959 50 10 KFGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 101013548 GHNSYRJCNPEBJH-FQWPPLDYSA-N 567.693 2.780 50 10 KFGE COC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084613912 XWRLQYDEOHJJCZ-UHFFFAOYSA-N 566.636 2.581 50 10 KFGE C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 27497481 LTFYJKSHNWZCAF-LSHDLFTRSA-N 512.284 2.724 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccccc3O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 38140255 OSYNIELXSXHLKV-WPCOCDFBSA-N 538.641 2.821 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 100080642 NFCCTEKBXRTHQN-UHFFFAOYSA-N 532.170 2.834 50 10 KFGE CCOc1ccc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254342977 RXLQVLRGQUYOBB-QUCCMNQESA-N 518.570 2.747 50 10 KFGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OC[C@@H]2CCCO2)c(Br)c1 13623300 XYIIKBACPNXQDT-OALUTQOASA-N 516.392 2.817 50 10 KFGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 101013550 GHNSYRJCNPEBJH-RNHBDSLOSA-N 567.693 2.780 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCN(CCCBr)CC1 2364204577 FCPNTSYMBVHEDJ-UHFFFAOYSA-N 500.459 2.575 50 10 KFGE CCOc1cc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCc3ccccc32)ccc1OC 254530667 HXAPMDJMKKRZDM-UHFFFAOYSA-N 531.577 2.747 50 10 KFGE O=C(COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 1084512686 FGECUTGMJKGENC-MHZLTWQESA-N 578.691 2.744 50 10 KFGE C=CCc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 1615168271 CDOLSFKADCZMEU-VIYGXFRKSA-N 532.327 2.749 50 10 KFGE COC(=O)[C@H](I)CNC(=O)c1cc(I)ccc1Br 234593799 GGFQDWXJHVTJCB-SECBINFHSA-N 537.917 2.760 50 10 KFGE O=C(CC[C@H](NC(=O)C(=O)O)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21)OCc1ccccc1 382632329 FSRMKPLLEPGGKI-DEOSSOPVSA-N 545.548 2.649 50 10 KFGE C/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCCC2)c1 2059028620 PHPJTDFTJMSTLV-LFVJCYFKSA-N 533.657 2.882 50 10 KFGE CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)N(C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)c1C 2297489621 KDWUDEGILQGLJA-UHFFFAOYSA-N 518.574 2.521 50 10 KFGE Cc1ccc(OCC(=O)N2CCC(c3nc(C(=O)NNC(=O)c4snnc4C)cs3)CC2)cc1C 33396737 RXYBOAXCIDHSOY-UHFFFAOYSA-N 514.633 2.780 50 10 KFGE COc1cc(/C=N\NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 98021045 VQHATQAFVGIBFA-UBZVFLFISA-N 504.455 2.959 50 10 KFGE CCOC(=O)[C@@H]1[C@H]2[C@@H]([C@H]3NC(=N)NN[C@H]3[C@H]3CC[C@@H](Br)C[C@H]32)N(Cc2ccccc2)[C@@H]1C 605810172 ZVGVUMTWQUDBKD-CHUSXCHRSA-N 504.473 2.618 50 10 KFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCCc2ccccc2)cc1 13623532 JQESIKYMKRCLCG-HSZRJFAPSA-N 516.623 2.992 50 10 KFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)c(Br)c1 13978592 IUSIIUCAJATRLY-UHFFFAOYSA-N 507.410 2.831 50 10 KFGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080795 CHVKMLKWAQPQTH-UHFFFAOYSA-N 547.225 2.700 50 10 KFGE O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 102984843 OUCBNUSJLCTMDA-UHFFFAOYSA-N 549.359 2.998 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3ccc(O)cc3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 254806248 NJKACLJQQJZZGC-UZXSNVDGSA-N 538.641 2.821 50 10 KFGE COC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1084069270 ANLVIFASIQYMIA-UHFFFAOYSA-N 586.579 2.509 50 10 KFGE O=C(CN1CCOCC1)NN=Cc1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 1084511484 HSFSRRDEMCIZPC-UHFFFAOYSA-N 649.223 2.955 50 10 KFGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 254449351 MXCDFDUQVDIUGP-UHFFFAOYSA-N 521.526 2.820 50 10 KFGE CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](OC(C)=O)[C@H]1OC(C)=O 1083818449 VGYXHRLXTGSRIS-QZLCNWOESA-N 586.710 2.646 50 10 KFGE Cc1cccc(OCC(=O)N/N=C2/C(=O)N(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)c3ccccc32)c1C 135610097 KJQFKBXQMAAVLG-OKCOJOTPSA-N 525.609 2.788 50 10 KFGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1[N+](=O)[O-] 254513754 NXZVRSVTPWFFGB-UHFFFAOYSA-N 509.508 2.596 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)c(OC)c1 1084301962 VZGGOHOQDTUIMN-HXUWFJFHSA-N 568.652 2.876 50 10 KFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc1 101483892 PGTQGXFFDIJCFF-UHFFFAOYSA-N 530.523 2.824 50 10 KFGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1 254815638 YECIVEZJHZHTEL-UHFFFAOYSA-N 521.526 2.820 50 10 KFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CC(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1 1084243954 KAKRCKCJRFHDHE-UHFFFAOYSA-N 548.596 2.929 50 10 KFGE CCOc1cc(C=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)ccc1O 1084424365 NHZOFEKTFISZBE-UHFFFAOYSA-N 530.523 2.602 50 10 KFGE COc1ccc(N2C(=O)c3ccc(C(=O)N[C@H](CO)C(=O)Nc4ccc(SC#N)cc4)cc3C2=O)cc1OC 1866578094 DNGRJIVRGMNCGC-OAQYLSRUSA-N 546.561 2.807 50 10 KFGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 1866629975 BPTCTTLOFUQJBS-SFHVURJKSA-N 509.009 2.573 50 10 KFGE CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866648017 OHTTWESFJQZIST-RTWAWAEBSA-N 535.669 2.758 50 10 KFGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCCN(S(C)(=O)=O)C2)CC1 2270093259 VFSPREGULGEKBB-AWEZNQCLSA-N 502.415 2.632 50 10 KFGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 101492584 KJGMUFLYPDNNKD-UHFFFAOYSA-N 537.276 2.879 50 10 KFGE NNC(=O)CCCOc1c(I)cc(I)cc1I 110554751 ZDQAJQDCGJZVEZ-UHFFFAOYSA-N 571.922 2.649 50 10 KFGE O=C(CNC(=O)OCc1ccccc1)N[C@]1(C(=O)O)C(I)=CC(I)=C(C(=O)O)[C@@H]1I 888085981 PTQBWDVDGWVGEH-KBXCAEBGSA-N 752.037 2.762 50 10 KFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCCOc2ccccc2)cc1 100313955 MIIJFRCPPXHHPR-JOCHJYFZSA-N 532.622 2.829 50 10 KFGE O=C(NN=C1C(=O)N(CN2CCOCC2)c2ccc(Br)cc21)c1ccccc1Br 254866079 YIHIVQFAXNNNRY-UHFFFAOYSA-N 522.197 2.982 50 10 KFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2285032780 XMXLIDDIJPHUEI-MHZLTWQESA-N 500.404 2.979 50 10 KFGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1I 12501579 AVVOSHAKYKDISX-UHFFFAOYSA-N 503.749 2.968 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2)cc1I 100078634 GOBDVTZJAMDBMA-UHFFFAOYSA-N 519.748 2.668 50 10 KFGE O=C(CBr)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21 2060477875 XPUVEPGDYRRCGY-UHFFFAOYSA-N 996.987 2.540 50 10 KFGE O=C(NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 100065099 FFQFJWLSJUWFBW-UHFFFAOYSA-N 561.294 2.959 50 10 KFGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN=Cc1cc(OC)ccc1O 252641110 YZMWCMXVGOMVCP-UHFFFAOYSA-N 521.617 2.785 50 10 KFGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14654130 FZYSPAJVGACTHK-UHFFFAOYSA-N 511.354 2.861 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 101619176 WWJHIOIWSJEVFP-KOEQRZSOSA-N 529.506 2.729 50 10 KFGE O=C(O)c1cccc(NC(=O)[C@@H]2C[C@H](SS[C@@H]3CN[C@@H](C(=O)Nc4cccc(C(=O)O)c4)C3)CN2)c1 504759834 OUYXUDFSSQPGIH-LWYYNNOASA-N 530.628 2.503 50 10 KFGE Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)cc1 6088867 PGPRJUHMZZBDTB-UHFFFAOYSA-N 540.627 2.820 50 10 KFGE Cc1ccc2c(c1)/C(=N\NC(=O)CC(=O)N/N=C1/C(=O)N(C(C)C)c3ccc(C)cc31)C(=O)N2C(C)C 100869999 INQSYXXUCYIISD-AMLXCYGQSA-N 502.575 2.544 50 10 KFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1nscc1B(O)O 2268679551 FWNZQHDVVYYKHE-QMHKHESXSA-N 507.421 2.906 50 10 KFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14657309 KJSFVAYGNLCCRX-UHFFFAOYSA-N 516.801 2.842 50 10 KFGE CC[C@](C)(NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866654069 CPVANDNDJALDJG-REWPJTCUSA-N 535.669 2.758 50 10 KFGE O=C(N/N=C/c1ccc(O)cc1O)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccc(O)cc3O)cc2)cc1 103756229 ARWDSSXLNBGMSQ-CMNXJCJSSA-N 574.571 2.870 50 10 KFGE CNC(=O)Nc1ccc(C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 254343467 PNZGSNYJSGYHLU-BVQVEUNTSA-N 594.709 2.866 50 10 KFGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1)c1ccccc1 254871776 JVPIAXRCCRPZCA-IBGZPJMESA-N 526.590 2.998 50 10 KFGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c1 725383984 LYSJBGQPEZZDAC-UHFFFAOYSA-N 511.556 2.821 50 10 KFGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 2297635220 OETIPEOAXRTLCK-UHFFFAOYSA-N 561.711 2.639 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815075 LZCNAJVTUSHKJK-HKOYGPOVSA-N 511.516 2.590 50 10 KFGE COc1ccccc1/C=N/NC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 58990289 BYBWQNIKWLHPAF-WSDLNYQXSA-N 500.497 2.507 50 10 KFGE O=C(NN=Cc1ccc(Cl)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1084326945 VKPAVCILHIJICG-HSZRJFAPSA-N 547.058 2.554 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCCCCI 2000544666 PLVFQZBAXQAPLR-SFHVURJKSA-N 510.369 2.926 50 10 KFGE CN1CCN(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)CC1 256018968 CRSHXXXHWOABFB-NZVBXONLSA-N 502.089 2.951 50 10 KFGE COc1ccc(OCc2ccc(C=NNc3nc(SCC(=O)NNC(=O)c4ccccc4)n[nH]3)o2)cc1 1084081492 SDWFQRUHIVPWSV-UHFFFAOYSA-N 521.559 2.985 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc(O)cc3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642537 NJKACLJQQJZZGC-GXXKAFGISA-N 538.641 2.821 50 10 KFGE CC1(C)[C@H](COC(=O)CCSSCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CC=[N+]1[O-] 44699186 SQDWGYYOGJCTFX-PFRQMTDMSA-N 532.754 2.523 50 10 KFGE in-vitro Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1-c1cccc([N+](=O)[O-])c1 254863101 HGURLFLRYMMIAF-UHFFFAOYSA-N 584.465 2.699 50 10 KFGE C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCN3CCCC3=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 215668942 VEPULSDQYCFBMC-ZNXGRENTSA-N 508.612 2.647 50 10 KFGE biogenic CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2349657977 UXVKSKNWBUWKPC-QVKFZJNVSA-N 509.691 2.961 50 10 KFGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 100081318 YSHPTAIGKWWJLX-UHFFFAOYSA-N 576.223 2.908 50 10 KFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2C)cc1 100082332 DMCWYFSEQMTZLM-UHFFFAOYSA-N 537.436 2.976 50 10 KFGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCC(=O)N1CCOCC1 256028512 RGGUDAXGFVWLKO-UHFFFAOYSA-N 527.628 2.694 50 10 KFGE COc1ccc(C=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1OC 1084076244 QLXOSMYAKMLKKL-UHFFFAOYSA-N 530.523 2.515 50 10 KFGE COc1cc(/C=N/NC(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1OC 33959169 VWPHVDFGZQCOKB-BRJLIKDPSA-N 524.368 2.762 50 10 KFGE COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN(C)C)c3ccc(Br)cc32)cc1 254412240 LRATVSWGICDNFH-UHFFFAOYSA-N 502.369 2.585 50 10 KFGE COc1cc(C(C)=NNC(=O)c2c(CN3CCCC3)nnn2-c2nonc2N)ccc1OCc1ccc(F)cc1 254622786 DSIJKCRKFNCGJG-UHFFFAOYSA-N 549.567 2.709 50 10 KFGE C[C@H](COc1c(I)cc(I)cc1I)C(=O)NN 2301609554 XJCHQNNHZGZEHS-RXMQYKEDSA-N 571.922 2.505 50 10 KFGE CC(=NNC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc(Br)cc1 1083960337 ZXCYOPIMFCLJIZ-UHFFFAOYSA-N 535.340 2.870 50 10 KFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 13977366 FWQBQCNHDCHBRP-WUXMJOGZSA-N 500.577 2.557 50 10 KFGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCC(=O)O 58890100 NKGUUOCZXXJEED-OLIBUNOHSA-N 512.300 2.727 50 10 KFGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1OC 104768236 SKDSZFFZYGWJFJ-ZMOGYAJESA-N 544.550 2.905 50 10 KFGE CO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 196304440 YEJYGCSQLCXHSL-QBROEMLDSA-N 558.700 2.729 50 10 KFGE CC1=CC(=O)/C(=C(\C)NNC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)C(=O)O1 1081082846 VBLYZLCQDSZFJI-HAHDFKILSA-N 537.370 2.558 50 10 KFGE COC(=O)COc1ccc(C=NNC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084294073 ZPNBXMPWXYDPNN-UHFFFAOYSA-N 525.583 2.901 50 10 KFGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1615727593 AODDGBHKVHDXKG-IYUKSVJOSA-N 505.600 2.990 50 10 KFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2scc(B(O)O)c2C1 2336494060 GGCNUIQDLNGDTQ-VWLOTQADSA-N 504.417 2.876 50 10 KFGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)c1ccccc1I 12503362 PFWWDQDEGXIAQP-UHFFFAOYSA-N 503.749 2.968 50 10 KFGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(N(CC)CC)cc3O)nnn2-c2nonc2N)cc1 254387363 NPKXFDKQDNJXOB-UHFFFAOYSA-N 505.539 2.614 50 10 KFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744028 QGRYHVOXSLHOAI-UHFFFAOYSA-N 503.397 2.883 50 10 KFGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 2314476340 MYICVNXUBYIEDS-OTPAQWSUSA-N 609.730 2.547 50 10 KFGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067475 VKKLIOVLBCFIFJ-UHFFFAOYSA-N 556.377 2.955 50 10 KFGE O=C(CN1C(=O)C(=NNC(=O)C(=O)Nc2ccc(Br)cc2)c2ccccc21)Nc1ccccc1 2297708589 XDRDMFIJRJRDRJ-UHFFFAOYSA-N 520.343 2.893 50 10 KFGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 33571582 PDRHRZUZRSWWIY-FCUDFIOSSA-N 506.584 2.995 50 10 KFGE CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217155458 ZWTMQCBUGCIUKM-NXVVXOECSA-N 518.979 2.996 50 10 KFGE CCOc1cc(C=NNC(=O)c2c(CN3CCCC3)nnn2-c2nonc2N)ccc1OCc1ccc(C)cc1 254734469 VUBNIHIQOGKCRV-UHFFFAOYSA-N 545.604 2.878 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc(O)cc3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642536 NJKACLJQQJZZGC-CWLHSXRESA-N 538.641 2.821 50 10 KFGE C[C@@H](CC(=O)NN)Oc1c(I)cc(I)cc1I 2300926197 JOSNQQZDKHNKMB-YFKPBYRVSA-N 571.922 2.648 50 10 KFGE O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1 13982237 BBNSTMGGPKGTID-UHFFFAOYSA-N 508.472 2.705 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1Br 100080191 DPSXTIQLTBFMOI-UHFFFAOYSA-N 517.199 2.935 50 10 KFGE COC(=O)COc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OC 100284216 VUBFKDCUOAGNIB-QWUOEIFBSA-N 526.327 2.816 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084271665 HEWJLEQRPQFOSO-UHFFFAOYSA-N 554.341 2.569 50 10 KFGE CCCCCC[C@@H]1[C@H]([C@H](O)C(=O)[C@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(OC)OC3=O 2080456000 SYAROURHSVAQRS-FPVKEDLISA-N 504.576 2.526 50 10 KFGE COc1cc(C=NNC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c(Br)c(Br)c1O 4150866 PMNOIWKFIWWIDF-OCCSQVGLSA-N 511.170 2.906 50 10 KFGE Nn1c(SCCCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58988900 NUJRFWJRNRRPJA-WYMPLXKRSA-N 509.508 2.979 50 10 KFGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)OCO3)cc1)Oc1ccc([N+](=O)[O-])cc1 1859005392 CLEGEUWLKHVBEQ-UHFFFAOYSA-N 513.484 2.773 50 10 KFGE COc1ccc(OCc2ccc(/C=N/Nc3nc(S[C@@H](C)C(=O)NNC(=O)C4CCC4)n[nH]3)o2)cc1 59880199 XHUBOEJBIKCKGS-HZZGJGATSA-N 513.580 2.859 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 100313336 ZAFAIYKQWIZXDQ-CQSZACIVSA-N 525.197 2.787 50 10 KFGE CCOc1ccccc1N(CC(=O)NN=Cc1cccc(OCC(=O)OC)c1)S(=O)(=O)c1ccccc1 1084049919 HFYNHRFSUCWJCT-UHFFFAOYSA-N 525.583 2.983 50 10 KFGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C(N)=O)CC3)nc12 2296849578 XWCRATXQWOCWAZ-UHFFFAOYSA-N 511.991 2.696 50 10 KFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)c1 10276459 MRCNSGPAJCEUJW-UHFFFAOYSA-N 510.410 2.887 50 10 KFGE O=C(N/N=C\C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105436165 SRINRJIGJSQTOS-OGKVRLOASA-N 550.400 2.869 50 10 KFGE COc1ccc(CNC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1B(O)O 2296191574 ZRUKQSCVJPEONR-AREMUKBSSA-N 502.376 2.555 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CI)CC[C@]34C=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118928334 XBEHGCBIBCOAIO-FLQOQCAOSA-N 572.436 2.884 50 10 KFGE COc1ccc2c(c1)CCCC2=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21 254296126 YVGPOHWHCILLHY-UHFFFAOYSA-N 513.562 2.664 50 10 KFGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3ccc(OCC(N)=O)cc3)cc2)S(C)(=O)=O)cc1C 1084623151 AAWBARHGJHXORJ-UHFFFAOYSA-N 508.600 2.898 50 10 KFGE COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 1084276310 FJRQZZSVEMWIEV-UHFFFAOYSA-N 513.572 2.759 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2176639938 KMZGEQKJIVEZOC-ZCNNSNEGSA-N 505.381 2.930 50 10 KFGE O=C(NN=Cc1cccc(Cl)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1083960172 KEBSQAFIBVDXIH-QHCPKHFHSA-N 547.058 2.554 50 10 KFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812808 OYBXKVRHFPMHGY-NLRVBDNBSA-N 503.397 2.883 50 10 KFGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 1084430099 LBFBKKOAYKDGSS-UHFFFAOYSA-N 524.315 2.561 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)Cc2ccccc2)cc1 254879714 NJIUAWLEIIUJAT-UHFFFAOYSA-N 512.544 2.953 50 10 KFGE CCOc1ccc(/C=N/NC(=O)c2nn(C)cc2I)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33355952 FVRHFHURPKMMLY-XIFKBPMFSA-N 600.461 2.968 50 10 KFGE biogenic COc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1I 100078825 WUSUEUNHDZCVRW-UHFFFAOYSA-N 554.410 2.971 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccccc3O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118917245 OSYNIELXSXHLKV-UUWGZBEPSA-N 538.641 2.821 50 10 KFGE biogenic CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 100318752 YMQDHMVLVXONSO-AWEZNQCLSA-N 537.436 2.905 50 10 KFGE CN1CCN(CN2C(=O)C(=NNC(=O)COc3ccc(Cl)cc3)c3cc(Br)ccc32)CC1 254403445 IDGFKYZRPZNTNI-UHFFFAOYSA-N 520.815 2.553 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(C)cc1 1084064015 VSPWVJRYTGUUHF-UHFFFAOYSA-N 523.371 2.970 50 10 KFGE CC(=NNC(=O)c1c[nH]ccc1=NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1 2297635234 UPJALAZUKFDTIN-UHFFFAOYSA-N 547.684 2.694 50 10 KFGE O=C(NN=Cc1ccccc1Br)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1083993251 JGZPLIVKRBHTBG-QHCPKHFHSA-N 591.509 2.663 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)Cc2ccccc2)cc1 1084030668 RSIIIBQEFCBCGK-MUUNZHRXSA-N 621.716 2.660 50 10 KFGE CC(=O)Nc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1 100037005 BNGDVEZZRJPWMI-UHFFFAOYSA-N 538.605 2.556 50 10 KFGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 252629218 UBJROIRVZJWFBJ-UHFFFAOYSA-N 528.562 2.768 50 10 KFGE NNC(=O)c1cc(COc2c(I)cc(Cl)cc2I)on1 312480870 UEPZFAHJXYRYKV-UHFFFAOYSA-N 519.464 2.720 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597479 SKRIWIIBSCHDTM-KOEQRZSOSA-N 520.458 2.950 50 10 KFGE COC(=O)c1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084300495 LDIFWLREMZOLLT-UHFFFAOYSA-N 536.610 2.815 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2176639937 KMZGEQKJIVEZOC-XUVXKRRUSA-N 505.381 2.930 50 10 KFGE COCCCNC(=O)Cn1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)c2cc(Br)ccc21 2313624465 UMIHVUZCYIZVAM-IBGZPJMESA-N 503.397 2.759 50 10 KFGE CCCOC(=O)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2ccc(OC)c(OC)c2)cc1 33565505 YIPDBIMZQTZAND-SDQBBNPISA-N 501.561 2.796 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3ccccc3O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 254908156 OSYNIELXSXHLKV-LHNWZJCKSA-N 538.641 2.821 50 10 KFGE O=C(NN=Cc1cc(Br)ccc1O)c1nonc1C(=O)NN=Cc1cc(Br)ccc1O 1083922629 MSYKIPDUNVFCMU-UHFFFAOYSA-N 552.139 2.534 50 10 KFGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc(S(=O)(=O)O)o2)cc1 2297730703 MSERQXQDISNBLV-UHFFFAOYSA-N 500.508 2.653 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccncc3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920626 KOOLFLATVPVRQD-LULRWPQSSA-N 523.630 2.510 50 10 KFGE biogenic O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084404808 YSNYITRTXQOHJV-UHFFFAOYSA-N 568.568 2.685 50 10 KFGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100088130 LLKIGQXUCYKZCG-UHFFFAOYSA-N 532.716 2.633 50 10 KFGE COc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OCC(=O)N/N=C/c1cc(OC)c(O)c([N+](=O)[O-])c1Br 104971679 KYYRJRCDYCHQOQ-AHTQEUGCSA-N 622.454 2.991 50 10 KFGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OCC(=O)O)cc2)cc1 254707135 OOTKZPJUYASKAS-UHFFFAOYSA-N 504.499 2.890 50 10 KFGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)ccc1OCc1ccccc1 254516309 UHCNKTHZBTZALS-GOSISDBHSA-N 545.604 2.958 50 10 KFGE COc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc(Br)c1O 1083915624 QFNKFFNIAUXRPF-UHFFFAOYSA-N 535.214 2.842 50 10 KFGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2cc(Br)c(O)c(Br)c2)n1 1083986221 FOHYEBXLULRRBX-MRVPVSSYSA-N 549.249 2.765 50 10 KFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 100136834 OYOIYQCTYOBSLF-UHFFFAOYSA-N 555.394 2.881 50 10 KFGE Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c3ccccc32)c1C 195809740 KJQFKBXQMAAVLG-KPXKKIRVSA-N 525.609 2.788 50 10 KFGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(C(=O)O)cc1 1084405860 ABYPWLVZLOQQRB-UHFFFAOYSA-N 567.380 2.749 50 10 KFGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)c(C)c32)cc1 101609519 KDZRUFPUUUXFFX-NCELDCMTSA-N 525.543 2.898 50 10 KFGE COc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1OC 254734248 ALVJCJRHLIVNIT-UHFFFAOYSA-N 528.543 2.966 50 10 KFGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616591322 YEJYGCSQLCXHSL-VFHRMQJUSA-N 558.700 2.729 50 10 KFGE CN(C)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 58988554 RLHUXHBFZMYCRK-YDZHTSKRSA-N 513.540 2.564 50 10 KFGE O=C(NN=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1n[nH]c(=O)c2ccccc12 254616119 BGLNZKCPFNEZJA-UHFFFAOYSA-N 515.511 2.538 50 10 KFGE O=C(N/N=C1/C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccc(Br)cc21)c1ccco1 1614466815 NOKRDKLOXOSPBX-DRUKIKFYSA-N 536.386 2.761 50 10 KFGE CCOc1ccc(CCN2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OCC 1872962285 SFJIVOIBJHYWJJ-FCHUYYIVSA-N 523.634 2.652 50 10 KFGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2314476054 HWTULTKEVRYIHV-HSZRJFAPSA-N 565.677 2.534 50 10 KFGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 101332241 XBOUXXOQUVSFEB-LFVJCYFKSA-N 543.605 2.782 50 10 KFGE CC(=O)O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 196015329 VGYXHRLXTGSRIS-XYPQWYOHSA-N 586.710 2.646 50 10 KFGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)ccc1OCCc1ccccc1 254824280 AEGKXJBHMARRCU-UHFFFAOYSA-N 559.631 2.858 50 10 KFGE CCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2324430062 ZWTMQCBUGCIUKM-UHFFFAOYSA-N 518.979 2.996 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3ccc(O)cc3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 254806253 NJKACLJQQJZZGC-WYJSUEIISA-N 538.641 2.821 50 10 KFGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1OC 1084461291 HRZDPBGJIOIARM-UHFFFAOYSA-N 524.618 2.731 50 10 KFGE COC(=O)COc1ccc(C=NNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 1084064605 HUMDGOURMHKFIE-UHFFFAOYSA-N 555.609 2.910 50 10 KFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC1CCOCC1 2195476422 PNSHBAJQVLMXAU-MGPUTAFESA-N 505.406 2.510 50 10 KFGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1 100080684 QQVPAHUJMAZMHS-UHFFFAOYSA-N 544.225 2.885 50 10 KFGE COc1ccc(OC)c(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 217216702 JLXIGVBVZSHLKY-PFONDFGASA-N 506.968 2.836 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)Cc2ccccc2)cc1 1084592751 WKBBNYMCNSYXKF-MHZLTWQESA-N 594.690 2.710 50 10 KFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1OC 13977384 BGCSZNFPXMPOJF-WEVVVXLNSA-N 508.394 2.889 50 10 KFGE COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33959252 IICTWOBYRULRPA-WKULSOCRSA-N 521.526 2.820 50 10 KFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC)c(I)c2)cc1 100078728 PLRBBBUIPJXBFV-UHFFFAOYSA-N 526.356 2.598 50 10 KFGE COc1cc(C(NC(=O)CI)NC(=O)CI)ccc1OC(C)C 100916929 ALLNHLWKTCCFLJ-UHFFFAOYSA-N 546.143 2.583 50 10 KFGE CSc1ccc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 1084358291 OXUCWZCNIFBAKF-XMMPIXPASA-N 558.707 2.623 50 10 KFGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2314475780 CCILGHZKOZCVOR-XMMPIXPASA-N 579.704 2.924 50 10 KFGE COc1ccccc1/C=C\C(=O)NCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 102634846 JTSGUXLSRUONRQ-SREVYHEPSA-N 536.180 2.822 50 10 KFGE COc1ccc(C(=O)NCC(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC 254813039 NWLMQQCCWXTUNV-UHFFFAOYSA-N 506.471 2.711 50 10 KFGE Nn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1cccnc1 104768528 GZPPUHUJKWEVDU-QPSGOUHRSA-N 527.202 2.527 50 10 KFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)c1CSc1nc2ccccc2s1 254475759 TVNVRLRAXBUXJP-UHFFFAOYSA-N 522.532 2.807 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 1084433012 NZUQBBDGDBLMGS-UHFFFAOYSA-N 526.571 2.996 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c(OC)c1 1084492878 FFKFSXPIVUWQFO-UHFFFAOYSA-N 511.556 2.821 50 10 KFGE C[C@@H](C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)n1cnc2sc3c(c2c1=O)CCCC3 1865851407 AZKDTXWPVGUUPS-GJZGRUSLSA-N 503.625 2.692 50 10 KFGE CCOC(=O)/C(C#N)=C\c1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cccn2c1=O 102994729 NJOAFPNHDYSMDG-ZHZULCJRSA-N 501.543 2.524 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749596 NHNHANMMDCAQLZ-UHFFFAOYSA-N 505.487 2.807 50 10 KFGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1OC 2295149916 ZRLLMJPKUCYNKJ-UHFFFAOYSA-N 515.482 2.856 50 10 KFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 9821639 LAFOEKCYZFFWJF-UHFFFAOYSA-N 513.357 2.656 50 10 KFGE COCCCNC(=O)Cn1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)c2cc(Br)ccc21 2313624466 UMIHVUZCYIZVAM-LJQANCHMSA-N 503.397 2.759 50 10 KFGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OCCOc1ccccc1 100313970 LLJBYNFVHRFSQP-NRFANRHFSA-N 532.622 2.829 50 10 KFGE CCOC(=O)[C@@H]1[C@@H]2[C@@H]3C[C@H](Br)CC[C@@H]3[C@@H]3NNC(=N)N[C@@H]3[C@@H]2N(Cc2ccccc2)[C@@H]1C 605810185 ZVGVUMTWQUDBKD-IJAXRMRGSA-N 504.473 2.618 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1(CBr)CCOCC1 2364205410 LBYLKBAHWZTGTN-UHFFFAOYSA-N 501.443 2.954 50 10 KFGE COC(=O)c1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084619315 SDWXACGKWBDHGK-UHFFFAOYSA-N 522.583 2.773 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1Br 100081180 OKHVHPFRPWOMMD-UHFFFAOYSA-N 517.199 2.935 50 10 KFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)N3CCN(c4ccccc4OC)CC3)cc2)cc1 725392472 FWHYAYQEELDEBP-UHFFFAOYSA-N 545.596 2.520 50 10 KFGE CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860773404 XSDGARQHLDXMKF-NXMRUKSJSA-N 509.632 2.980 50 10 KFGE CCOc1ccc(C=NNC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254744760 AFCMQILQTFVTCW-RPWUZVMVSA-N 577.707 2.603 50 10 KFGE CCOc1ccc([C@H](O)CCC(=O)NN=C[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1084284430 YACMWCZPGXIYSZ-RTBURBONSA-N 502.980 2.718 50 10 KFGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 1866631245 NAMCLKIDMUCFSC-IBGZPJMESA-N 509.009 2.573 50 10 KFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccc(OC)c(OCn2cccn2)c1 1084164249 XVTQKXGSGYTGEJ-UHFFFAOYSA-N 558.628 2.741 50 10 KFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 1084518459 OPSJYYHZDSBSSV-UHFFFAOYSA-N 555.609 2.910 50 10 KFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2205522646 CKFVTQDOXLPSIY-UZTOHYMASA-N 500.404 2.979 50 10 KFGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2296547622 NJJSBHNHBYMKBO-UHFFFAOYSA-N 535.626 2.620 50 10 KFGE C=CCOc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(OCC=C)cc3)cc2)cc1 100135305 NAOREPILUCWKTQ-UHFFFAOYSA-N 514.538 2.966 50 10 KFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)c(C)c2)cc1 100081908 ZKAHYMVFXSJNPL-UHFFFAOYSA-N 537.436 2.976 50 10 KFGE O=C(CSc1ccccn1)NNC(=O)c1ccc2cc(C(=O)NNC(=O)CSc3ccccn3)ccc2c1 103596756 UWFZRMBNDISEFV-UHFFFAOYSA-N 546.634 2.736 50 10 KFGE COC(=O)[C@@H](I)CNC(=O)c1ccc(I)c(Br)c1 721619822 MRBDLLVXPXMSIX-VIFPVBQESA-N 537.917 2.760 50 10 KFGE O=C(NN=Cc1ccc(O)c(Br)c1)[C@H]1C[C@H]1C(=O)NN=Cc1ccc(O)c(Br)c1 1084521306 KJXRGFGBWWNMBD-BETUJISGSA-N 524.169 2.859 50 10 KFGE COc1cc(C(=O)NNC(=O)c2sc(-c3cnccn3)nc2C)c(Br)c(OC)c1OC 1865757624 MNKHWTLMWGZCSB-UHFFFAOYSA-N 508.354 2.772 50 10 KFGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OC2CCN(S(C)(=O)=O)CC2)C1 2270093825 AVTUXTAINYFDNI-QGZVFWFLSA-N 502.415 2.632 50 10 KFGE CC(/C=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)=C\c1ccccc1 33341991 ZPPLHIDKECNBDR-WBJWOATJSA-N 505.438 2.961 50 10 KFGE C[C@@H](C(=O)O)N1C[C@@H](C)N([C@H](C)C(=O)O)C[C@@H](C)N([C@H](C)C(=O)NCCSSc2ccccn2)C[C@@H](C)N([C@H](C)C(=O)O)C[C@H]1C 255965704 BVEXZTXAUQXVNC-OLACKKDLSA-N 684.926 2.522 50 10 KFGE O=C(NN=Cc1ccc(O)c(Br)c1)[C@@H]1C[C@H]1C(=O)NN=Cc1ccc(O)c(Br)c1 1084521307 KJXRGFGBWWNMBD-CHWSQXEVSA-N 524.169 2.859 50 10 KFGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(Br)c1O 19651364 JGFKWSYQZYDANB-ATYVMVDZSA-N 506.382 2.605 50 10 KFGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1OC 38185347 ZRLLMJPKUCYNKJ-NDENLUEZSA-N 515.482 2.856 50 10 KFGE COc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100087452 QPVSLFOEGWBRBW-UHFFFAOYSA-N 547.225 2.700 50 10 KFGE COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc(OC)c1OC 102107737 LJHDRIQFWAMYCZ-VFLNYLIXSA-N 535.509 2.540 50 10 KFGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNc1nc(SCC(=O)NNC(=O)C(C)C)n[nH]1 1084609951 LLAQMOQSQVYISZ-UHFFFAOYSA-N 524.655 2.631 50 10 KFGE Cc1ccc(S(=O)(=O)NNC(=O)COc2c(C)cc(-c3nn(C)c(=O)c4ccccc34)cc2C)cc1 1088700340 GXKVHAHTHMMYNS-UHFFFAOYSA-N 506.584 2.914 50 10 KFGE CCN(C[C@](C)(CI)O[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2270093775 AOZGUDIYCZGOQG-YOEHRIQHSA-N 504.431 2.878 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1I 100078831 JBCUXWZFCSZPEH-UHFFFAOYSA-N 564.199 2.777 50 10 KFGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] 1083944502 YZUGVEJUZPKCCG-UHFFFAOYSA-N 539.570 2.903 50 10 KFGE Nn1c(SCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nnc1-c1cccnc1 1084569469 KDSZRVXYIHDDLE-UHFFFAOYSA-N 527.202 2.527 50 10 KFGE CN1C(=O)/C(=N/NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc21 100260468 UAOWCTUECRJGKJ-AMLXCYGQSA-N 502.575 2.711 50 10 KFGE COc1cc(C(=O)OCC(=O)/C(C#N)=C(\C)N)ccc1OCC(=O)Nc1ccc(Br)cc1 101219916 FHDVPGAHSAWDSA-GHRIWEEISA-N 502.321 2.957 50 10 KFGE CC(=O)O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083818445 VGYXHRLXTGSRIS-MJXUZWQSSA-N 586.710 2.646 50 10 KFGE COc1ccc(/C(C)=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1OC 20923466 XUYVIIXRDXTVEG-WYMPLXKRSA-N 503.972 2.865 50 10 KFGE CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc2c(c1)OCO2 103865232 BDVDDVKDYVHFPB-BRJLIKDPSA-N 567.380 2.780 50 10 KFGE CC(C)[C@@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N(c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)[C@H](CCCNC(N)=O)C(N)=O 669371061 UQRQGHMQKAXOTE-DLFZDVPBSA-N 737.767 2.572 50 10 KFGE CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(=O)C(C#N)=C(C)N 2042438062 FLRLRUHTWHUNER-HXUWFJFHSA-N 562.442 2.832 50 10 KFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1nscc1B(O)O 2269545972 LOZQGJGSWZDAPX-HJPURHCSSA-N 507.421 2.954 50 10 KFGE CCN(CC)c1c(/C=N/Nc2nnc(S[C@@H](C)C(=O)NNC(=O)C(C)C)[nH]2)c(C)nn1-c1ccccc1 253565432 HSTINHWHMPKKJH-YSGZUTGPSA-N 526.671 2.875 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084377234 HESIHKKNYSUVPL-UHFFFAOYSA-N 558.569 2.975 50 10 KFGE COc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)NN=Cc2cccc(OC)c2OCC(=O)O)c1 1565518647 GWMPRQKWOBUTLT-UHFFFAOYSA-N 519.557 2.793 50 10 KFGE CN([C@@H](CCBr)C(F)(F)F)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2122013104 YINIJTBCBJPZPD-BBRMVZONSA-N 503.312 2.988 50 10 KFGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 103864901 HEWJLEQRPQFOSO-FSJBWODESA-N 554.341 2.569 50 10 KFGE CCOC(=O)c1ccc(N2C(=O)C(=CNNC(=O)[C@@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 2042434527 BGLMKQDFXAHMCZ-DEOSSOPVSA-N 513.506 2.852 50 10 KFGE COc1ccccc1C=CC(=O)NCC(=O)NN=C1C(=O)Nc2c(Br)cc(Br)cc21 2296382131 JTSGUXLSRUONRQ-UHFFFAOYSA-N 536.180 2.822 50 10 KFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOC)c(Br)c2)cc1 100201766 HWXKHGMKQKNYRO-UHFFFAOYSA-N 523.409 2.772 50 10 KFGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 195786553 YEJYGCSQLCXHSL-FXGKLIOSSA-N 558.700 2.729 50 10 KFGE NNC(=O)C(F)(F)CCOc1c(I)cc(Cl)cc1I 2121977972 CPGQKAXOZHLLMN-UHFFFAOYSA-N 516.451 2.943 50 10 KFGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2cc(Br)cc(Br)c2O)n1 1084637656 WKSXLRJINORRGI-UHFFFAOYSA-N 549.249 2.767 50 10 KFGE COC1=CC=CC(=CN[C@H]2CCCC[C@H]2NC=C2C=C(C(C)(C)C)C=C(/C=N/CCC[Si](O)(O)O)C2=O)C1=O 2294276924 GTSLTUOZDJLDJZ-AOKXRGCVSA-N 555.748 2.772 50 10 KFGE Cc1ccc2c(c1)/C(=N/NC(=O)CCC(=O)N/N=C1/C(=O)N(C(C)C)c3ccc(C)cc31)C(=O)N2C(C)C 38180204 MGTYKTKGPIWDOY-IEPGDLOPSA-N 516.602 2.934 50 10 KFGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 2314475779 CCILGHZKOZCVOR-DEOSSOPVSA-N 579.704 2.924 50 10 KFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)CCC(=O)Nc3ccc(OCC)cc3)cc2)cc1 100050399 KDYMQSQWRAULDU-UHFFFAOYSA-N 632.674 2.844 50 10 KFGE COc1cc(C=NNC(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1OC 1772719790 VWPHVDFGZQCOKB-UHFFFAOYSA-N 524.368 2.762 50 10 KFGE CN(CC1(Oc2ncc(Br)cc2B(O)O)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2286406251 NJIVQAVVZYUJQM-UHFFFAOYSA-N 534.260 2.804 50 10 KFGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(OCC(=O)N(C)C)c1 2297635191 AOMWIGXXKXFAGN-UHFFFAOYSA-N 501.590 2.565 50 10 KFGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 100314026 IHVHHINMXQQKJO-QGZVFWFLSA-N 533.448 2.922 50 10 KFGE COc1cc(C(NC(=O)CI)NC(=O)CI)ccc1OCC(C)C 100916969 KCDMRZPHJRBDAF-UHFFFAOYSA-N 560.170 2.831 50 10 KFGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cnn(CCOC)c1 253563220 FECPHQWMLFBMBW-BHGWPJFGSA-N 580.456 2.766 50 10 KFGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)c(OC)c1 1084489086 KONHRDWEEPEALZ-UHFFFAOYSA-N 506.515 2.819 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2C)cc1I 13981113 FWONDLHRNPCGIF-UHFFFAOYSA-N 513.357 2.631 50 10 KFGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217101615 XCGKSHDTLHGPEE-ICFOKQHNSA-N 518.979 2.996 50 10 KFGE Cc1c(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1084457420 KDKRWQUJTUHZNX-UHFFFAOYSA-N 558.620 2.732 50 10 KFGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NCc2sc(Cl)cc2B(O)O)C1 2369892817 RQTPBPSSIPVBBF-QHCPKHFHSA-N 508.833 2.542 50 10 KFGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 40890109 ZSNFEKQWBCXDFT-FOWTUZBSSA-N 506.471 2.628 50 10 KFGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 101341074 WLVLQWWQRQUOKZ-PCLIKHOPSA-N 573.631 2.945 50 10 KFGE O=C(NN=CC(=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084392932 SRINRJIGJSQTOS-UHFFFAOYSA-N 550.400 2.869 50 10 KFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)cc1 100233424 VHTOJUNPTOGNKC-UHFFFAOYSA-N 543.383 2.664 50 10 KFGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 100314117 DNOUMBJBZMVKJX-MRXNPFEDSA-N 533.448 2.921 50 10 KFGE CC(C)(C)OC(=O)N1CCC(CI)(OC2CCN(S(C)(=O)=O)CC2)CC1 2270096751 ZOWCSFUVMLYIOF-UHFFFAOYSA-N 502.415 2.632 50 10 KFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(OC)cc3)c2[N+](=O)[O-])cc1 40628041 RKGIRLIGHISALP-UHFFFAOYSA-N 515.552 2.924 50 10 KFGE Nn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1ccccc1O 104768652 PKOCTWFKPHMFOJ-QPSGOUHRSA-N 542.213 2.838 50 10 KFGE COc1cc(C(C)=NNC(=O)c2c(CN3CCOCC3)nnn2-c2nonc2N)ccc1OCc1cccc2ccccc12 254820748 AUKJMNINDRAUMY-UHFFFAOYSA-N 597.636 2.960 50 10 KFGE COc1c(Br)cc(Br)cc1C=CC(=O)NC(=S)NNC(=O)c1ccncc1 2313630131 MNDKSOVYLVJXNY-UHFFFAOYSA-N 514.199 2.964 50 10 KFGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCCc2ccccc2)cc1 13623535 JQESIKYMKRCLCG-QHCPKHFHSA-N 516.623 2.992 50 10 KFGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 252622859 OEHOVGCEEHUMOW-FQEVSTJZSA-N 538.626 2.868 50 10 KFGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc2c(c1)OCO2 1083915594 BDVDDVKDYVHFPB-UHFFFAOYSA-N 567.380 2.780 50 10 KFGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)ccc1Br 100081923 JEPKABHTYAEHKP-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(OC)cc3OC)cc2)cc1 1084387320 DOGQEIMZKXGUQT-UHFFFAOYSA-N 506.515 2.819 50 10 KFGE COC(=O)c1ccc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1P(c1ccccc1)c1ccccc1 200102269 CNGFGHYINHACJX-MTFQNXCDSA-N 764.882 2.853 50 10 KFGE COc1ccc(C=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1084386183 PIFISDIBSMEQOK-UHFFFAOYSA-N 500.497 2.507 50 10 KFGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1C 14662934 CEPYULXSCYFGEN-UHFFFAOYSA-N 510.410 2.806 50 10 KFGE COc1cc(C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)ccc1O 253530958 LYPHLZMFSLKUPV-IQKXQAGUSA-N 568.667 2.829 50 10 KFGE biogenic CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccccc3)cc2OC)cc1 254794619 HBWCKTAWENMBQF-UHFFFAOYSA-N 511.556 2.742 50 10 KFGE O=C(CNC(=O)OCc1ccccc1)N[C@@]1(C(=O)O)C(I)=CC(I)=C(C(=O)O)[C@@H]1I 888085983 PTQBWDVDGWVGEH-KSSFIOAISA-N 752.037 2.762 50 10 KFGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OCCOc2ccccc2)c1 100313977 GUYDKZBSOYLQAM-QFIPXVFZSA-N 532.622 2.829 50 10 KFGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748250 VKBUPJVTZRYGDZ-UHFFFAOYSA-N 518.412 2.668 50 10 KFGE CC[C@@](C)(NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1866593785 LTNSACILNQBCRE-XMMPIXPASA-N 515.661 2.733 50 10 KFGE CCCCCC[C@@H]1[C@H]([C@H](O)C(=O)[C@@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(OC)OC3=O 2080456001 SYAROURHSVAQRS-JJOOPAMRSA-N 504.576 2.526 50 10 KFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039697 KTZPHOWEMGVPDE-UHFFFAOYSA-N 510.528 2.767 50 10 KFGE CC(=O)Nc1ccc([C@H](O)C(=NNC(=O)Cc2ccccc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 254737514 RLQJBOLRTXYLSE-VWLOTQADSA-N 514.498 2.999 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1083986193 PSLGCXYGIOMZRQ-UHFFFAOYSA-N 528.543 2.966 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1OC 1084199484 UMVDSAJWPZYGKI-HHHXNRCGSA-N 638.743 2.762 50 10 KFGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2084715657 MVJTYVJKWATRCP-HXUWFJFHSA-N 531.517 2.802 50 10 KFGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630169 FHGLXBDKIBIILL-ZDUSSCGKSA-N 513.403 2.816 50 10 KFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OCCOc2ccccc2)c1 100313974 GUYDKZBSOYLQAM-JOCHJYFZSA-N 532.622 2.829 50 10 KFGE COc1ccccc1C=CC(=O)NCC(=O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 2296382161 TVCKTSHZNWGBRE-UHFFFAOYSA-N 512.522 2.621 50 10 KFGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C(N)=O)CC3)nc12 33934191 XWCRATXQWOCWAZ-UYRXBGFRSA-N 511.991 2.696 50 10 KFGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1ccc(Cl)cc1C 100049250 ZEAQXCFIPAGFFQ-UHFFFAOYSA-N 525.389 2.533 50 10 KFGE COC(=O)[C@H](I)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 234613826 DMOQGNSNEANHBQ-SECBINFHSA-N 540.999 2.775 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCBr)C1CCOCC1 2381009968 LRNURRFASZOVQS-FQEVSTJZSA-N 505.406 2.607 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2OC)cc1I 10000581 MCOKKQDSBPVIFV-CSKARUKUSA-N 511.341 2.657 50 10 KFGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)cc1 33596188 IPZJLEFELHIJAT-CYVLTUHYSA-N 500.559 2.649 50 10 KFGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 34367172 AODDGBHKVHDXKG-DCRWIRHASA-N 505.600 2.990 50 10 KFGE Cc1cc(C)n(CC(=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)c2ccc(F)c(F)c2)n1 252600503 DRZFERZQDRPCJJ-UHFFFAOYSA-N 518.488 2.825 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccncc3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530953 KOOLFLATVPVRQD-PGNNLGJCSA-N 523.630 2.510 50 10 KFGE biogenic O=C(C=Cc1ccccc1)NCC(=O)NN=C1C(=O)Nc2c(Br)cc(Br)cc21 2296382125 HAZFMGGTHUUMOZ-UHFFFAOYSA-N 506.154 2.814 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100078568 NPXDOAVWQKRAHC-UHFFFAOYSA-N 517.199 2.935 50 10 KFGE O=C(COc1ccc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 254884135 MOCCEECOVDESLE-HSZRJFAPSA-N 595.634 2.614 50 10 KFGE COc1cc(C=NNC(=O)c2c(CN3CCCCC3)nnn2-c2nonc2N)ccc1OCc1ccccc1 254520874 BMKVVMYOZLHGIO-UHFFFAOYSA-N 531.577 2.570 50 10 KFGE COc1cc(C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)ccc1O 2297642525 LYPHLZMFSLKUPV-DDRJLGBRSA-N 568.667 2.829 50 10 KFGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217230490 JPRLSATXGKGTSE-YPKPFQOOSA-N 521.939 2.736 50 10 KFGE COc1cc(C=C(C#N)C(N)=O)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2314739086 ZJAJSLNIMBSTPU-UHFFFAOYSA-N 506.471 2.758 50 10 KFGE CNC(=O)Nc1ccc(C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 2297642567 PNZGSNYJSGYHLU-UALZPEOFSA-N 594.709 2.866 50 10 KFGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 100318824 SAZZTLBROSJLML-ZDUSSCGKSA-N 523.409 2.514 50 10 KFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1nscc1B(O)O 2268666218 FWNZQHDVVYYKHE-HJPURHCSSA-N 507.421 2.906 50 10 KFGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860770289 BMRQUAWXDNFHKJ-NWDGAFQWSA-N 511.025 2.816 50 10 KFGE CC(=O)O[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616590963 VGYXHRLXTGSRIS-MLZSXWJDSA-N 586.710 2.646 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)N3CCOCC3)cc2)c2cc(Cl)ccc2OC)cc1OC 1084462810 RUBQRRYQSLSKJX-UHFFFAOYSA-N 661.133 2.949 50 10 KFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1873777104 AAAZITASVUCGAS-QGZVFWFLSA-N 508.535 2.528 50 10 KFGE C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)CC[C@@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 2080447596 QDBRKNVBOYHAGZ-FHUUVKSISA-N 796.992 2.773 50 10 KFGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100077749 GUVOLOVYLKFRCR-UHFFFAOYSA-N 529.318 2.864 50 10 KFGE C[C@H]1CN([C@H](C)C(=O)O)[C@@H](C)CN([C@@H](C)C(=O)O)[C@@H](C)CN([C@@H](C)C(=O)NCCSSc2ccccn2)[C@@H](C)CN1[C@@H](C)C(=O)O 575228784 BVEXZTXAUQXVNC-PPWIVZTRSA-N 684.926 2.522 50 10 KFGE CCC(CBr)(CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545828 VNZWVDHIBZUZKH-INIZCTEOSA-N 528.238 2.869 50 10 KFGE CN(C1(CBr)CCSCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2114719012 MNYHBVSLAYLSJL-GOSISDBHSA-N 507.447 2.933 50 10 KFGE COc1cc(C=NNC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c(Br)c(Br)c1O 4150864 PMNOIWKFIWWIDF-JSGCOSHPSA-N 511.170 2.906 50 10 KFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 1084229730 HMVRGNVTHBLNHI-UHFFFAOYSA-N 521.901 2.827 50 10 KFGE C#CCOc1c(I)cc(C=C(C#N)C(=O)N(C)C)cc1I 2313566950 FDHQIARRRHFGIY-UHFFFAOYSA-N 506.081 2.903 50 10 KFGE O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)cc1 35238456 PNERRXCYFVHIFW-NLRVBDNBSA-N 504.551 2.826 50 10 KFGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-] 40658716 HZDDRLIFZXUJJX-UHFFFAOYSA-N 502.447 2.889 50 10 KFGE NNC(=O)c1coc(COc2c(I)cc(I)cc2I)n1 387143542 JCAVSJAFNXZTOE-UHFFFAOYSA-N 610.915 2.671 50 10 KFGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2314738655 UJKBSVKIZDHYHV-UHFFFAOYSA-N 506.471 2.627 50 10 KFGE C[C@@]1(CBr)COCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364189850 GASOKDPWPQBXCE-NRFANRHFSA-N 501.443 2.906 50 10 KFGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(I)c1O 2297551840 PJZVGQUOYVWZMR-UHFFFAOYSA-N 513.313 2.589 50 10 KFGE COc1ccccc1NC(=O)C(=O)N/N=C1/C(=O)N(CC(=O)Nc2ccccc2)c2ccc(Br)cc21 1878864 BLCANPUARVALDF-QUPMIFSKSA-N 550.369 2.902 50 10 KFGE CCOC(=O)N1CCN(C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)CC1 215668411 FKHWPOYGRNRGOB-PIOASICWSA-N 524.611 2.819 50 10 KFGE biogenic O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OCCc1ccccc1 13623585 NRSKKSHSUSQYGK-QFIPXVFZSA-N 516.623 2.992 50 10 KFGE OB(O)c1cccc(COc2c(I)cc(I)cc2I)c1 2235496755 VVBCKYUNTGEGLW-UHFFFAOYSA-N 605.744 2.759 50 10 KFGE COc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1[N+](=O)[O-] 1858958810 DDNHOHGLBZFGOG-UHFFFAOYSA-N 530.471 2.919 50 10 KFGE C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)C[C@](C)(O)CC(=O)O)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@@](C)(O)C/C=C/C(C)(C)OO)CC[C@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 2080448799 VACNMKGQGOMANA-GBUINCGISA-N 941.118 2.940 50 10 KFGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)=C(C#N)C1=O 2314618690 RWOXERKTRBFNLZ-UHFFFAOYSA-N 587.658 2.799 50 10 KFGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OC2CCN(S(C)(=O)=O)CC2)C1 2270093824 AVTUXTAINYFDNI-KRWDZBQOSA-N 502.415 2.632 50 10 KFGE N#CC1=C(N)n2c(s/c(=C/c3c(F)cccc3Cl)c2=O)=C(C(N)=O)[C@@H]1c1c(Cl)cccc1Cl 2224296 CGOCXDVHOBAEPV-NHKNYXOTSA-N 521.788 2.922 50 10 KFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccccc3)c2[N+](=O)[O-])cc1 40628058 IFLAELKTCYPQDT-UHFFFAOYSA-N 515.552 2.681 50 10 KFGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 1554268818 MYICVNXUBYIEDS-XCBPSLQKSA-N 609.730 2.547 50 10 KFGE CCN(CC)c1c(/C=N/Nc2nnc(SCC(=O)NNC(=O)C3CCC3)[nH]2)c(C)nn1-c1ccccc1 253577640 XHMDZTOOGBJUEF-AFUMVMLFSA-N 524.655 2.631 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccncc3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642508 KOOLFLATVPVRQD-DTVYFDAISA-N 523.630 2.510 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccccc3O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642550 OSYNIELXSXHLKV-HWAWHHLPSA-N 538.641 2.821 50 10 KFGE COc1ccc(CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100079626 QQJRCENVVFPZGH-UHFFFAOYSA-N 531.226 2.864 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1cccc(C)c1 1084490195 AKWOZCXEQPXMBW-UHFFFAOYSA-N 523.371 2.970 50 10 KFGE COc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 254850284 VQHATQAFVGIBFA-RAFSGYNHSA-N 504.455 2.959 50 10 KFGE Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]3O)ccc12 256125035 YTHDSJIOVBDTQV-DYSNXAHPSA-N 576.718 2.864 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])Cc2ccccc2)cc1OC 1084572931 SNVMXCVLPZGDQE-UHFFFAOYSA-N 512.544 2.953 50 10 KFGE C[C@@H](C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)n1cnc2sc3c(c2c1=O)CCCC3 1865851409 AZKDTXWPVGUUPS-LSDHHAIUSA-N 503.625 2.692 50 10 KFGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCCC2)c1 2297635222 PHPJTDFTJMSTLV-UHFFFAOYSA-N 533.657 2.882 50 10 KFGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1c(C)cccc1C 14662938 GFGULFBUDQCLFD-UHFFFAOYSA-N 510.410 2.806 50 10 KFGE COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(OC)c(N3CCN(C(=O)C(Cl)Cl)CC3)c1)CC2 103116166 GVBZNSOSASHNIW-UHFFFAOYSA-N 558.484 2.912 50 10 KFGE CCOc1ccc(C(=O)NCC(=O)NN=C2C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 254289336 HFPNYZAAFBMNTI-UHFFFAOYSA-N 500.511 2.611 50 10 KFGE CCOc1cc(C=NNC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc(Br)c1OCC 254616209 HJZDDSPPRWQIHE-UHFFFAOYSA-N 505.369 2.885 50 10 KFGE O=C(COc1ccc(OCC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1)NN=Cc1ccc([N+](=O)[O-])cc1 254834180 TWSKKELNTKQXRL-UHFFFAOYSA-N 520.458 2.561 50 10 KFGE O=C(CNC(=O)c1ccccc1Br)N/N=C\c1ccccc1/C=N/NC(=O)CNC(=O)c1ccccc1Br 1548338179 FJXQDSPVXMEZFC-ONYWOVPASA-N 642.308 2.972 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607168 XNVBQUSJTSFLGP-LGUFXXKBSA-N 534.485 2.879 50 10 KFGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 206490131 ZSNFEKQWBCXDFT-VBKFSLOCSA-N 506.471 2.628 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3ccccc3O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 254908162 OSYNIELXSXHLKV-WQHBJAHOSA-N 538.641 2.821 50 10 KFGE CC[C@](C)(NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1866593784 LTNSACILNQBCRE-DEOSSOPVSA-N 515.661 2.733 50 10 KFGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])CC1 40618839 SNXHMUMQVZQPLS-UHFFFAOYSA-N 513.338 2.993 50 10 KFGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccccc2I)cc1C 100076932 KRWCGUXNUXJZBF-UHFFFAOYSA-N 524.384 2.962 50 10 KFGE CCCc1cc(O)nc(SCC(=O)NNC(=O)c2ccc3cc(C(=O)NNC(=O)CSc4nc(O)cc(CCC)n4)ccc3c2)n1 150429891 QIYGHSNYXYWKBW-UHFFFAOYSA-N 664.770 2.843 50 10 KFGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(OCC)c(OC)c3)nnn2-c2nonc2N)cc1 254507488 SZMUDKHTFZLYCB-UHFFFAOYSA-N 506.523 2.860 50 10 KFGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 725404482 JJFNYZLBXWFXNN-UHFFFAOYSA-N 518.526 2.978 50 10 KFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1nscc1B(O)O 2268678206 FWNZQHDVVYYKHE-HJPURHCSSA-N 507.421 2.906 50 10 KFGE O=C(NC(=S)NNC(=O)c1ccccc1I)c1ccc(Cl)c([N+](=O)[O-])c1 13976647 PLTSNQDVUDPFTR-UHFFFAOYSA-N 504.693 2.802 50 10 KFGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1OC 254382413 BDMOXNZRPNSWTC-UHFFFAOYSA-N 521.526 2.820 50 10 KFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607187 VXQCNEQUWYLEOF-ZXVVBBHZSA-N 519.514 2.979 50 10 KFGE COc1ccc(O)c(C=NNC(=O)c2ncn(Cc3ccc([N+](=O)[O-])cc3)c2C(=O)NN=Cc2cc(OC)ccc2O)c1 254385080 FOZRSEIDWTXUND-UHFFFAOYSA-N 587.549 2.796 50 10 KFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1CN1CCc2ccccc21 254702633 XIHVIGFNNMUFHY-UHFFFAOYSA-N 540.500 2.727 50 10 KFGE NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084138891 MCKDXFPWYVIPBL-UHFFFAOYSA-N 559.442 2.654 50 10 KFGE CCCN1C(=O)/C(=N\NC(=O)CCC(=O)N/N=C2/C(=O)N(CCC)c3ccc(C)cc32)c2cc(C)ccc21 38180215 BVKOQASPCHPBPI-IEPGDLOPSA-N 516.602 2.938 50 10 KFGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 101494155 VPYJQIWAAAWLJD-UHFFFAOYSA-N 542.361 2.828 50 10 KFGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 214434250 QHOHYLNTDLGVKN-BRPDVVIDSA-N 659.721 2.732 50 10 KFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745094 QSYGIAXLLGQCBF-UHFFFAOYSA-N 505.487 2.807 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CBr)C[C@H]1C(F)(F)F 2192563745 YTVRVQFFDLCYOD-COXVUDFISA-N 515.323 2.894 50 10 KFGE O=C(COCC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 164131535 NGELLEGIFWFTIL-GKTLAHRSSA-N 650.691 2.839 50 10 KFGE O=C(NN=Cc1cccc(Cl)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1083960171 KEBSQAFIBVDXIH-HSZRJFAPSA-N 547.058 2.554 50 10 KFGE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C(/C#N)C(=O)NCc3ccco3)CC2)cc1 35198475 GVCXHSBSVCLJCS-JZJYNLBNSA-N 510.554 2.846 50 10 KFGE Cc1ccc(S(=O)(=O)O[C@H]2[C@@H](n3cnc4c(N)ncnc43)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O)cc1 196912946 UECWDUYKBZLPTO-VGYLUTEMSA-N 535.699 2.771 50 10 KFGE C[C@@H](Sc1nnc(N/N=C/c2cc(Br)cc(Br)c2O)[nH]1)C(=O)NNC(=O)C1CCC1 253560786 BGIIYVHMNSRALG-JCSHNYPTSA-N 561.260 2.909 50 10 KFGE COc1cccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCc3ccc(C)cc3)cc2OC)c1 254395352 HDVTZEWIWXHVJY-UHFFFAOYSA-N 504.543 2.796 50 10 KFGE BrC[C@@H]1CO[C@H]2CN(c3ncc(I)cc3Br)C[C@@H]2O1 2265030154 OLVMVUYXASGRFR-MIMYLULJSA-N 503.960 2.816 50 10 KFGE Cc1ccccc1C(=O)/N=c1/[nH]nc(CC(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccccc2)s1 254386704 WINVWDGBQWAJDK-UHFFFAOYSA-N 535.607 2.981 50 10 KFGE COc1c(C=NNC(=O)c2cc(CO)on2)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254735994 CDEVGFWPOIJBOA-OAHLLOKOSA-N 526.477 2.552 50 10 KFGE C[C@@H](Sc1n[nH]c(NN=Cc2ccc(COc3ccc(F)cc3)o2)n1)C(=O)NNC(=O)C1CCC1 1084408809 MFKOQIXGLRKTOM-CYBMUJFWSA-N 501.544 2.990 50 10 KFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nscc1B(O)O 2269561201 LOZQGJGSWZDAPX-WAIKUNEKSA-N 507.421 2.954 50 10 KFGE CNC(=O)Nc1ccc(C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc1 2297642566 PNZGSNYJSGYHLU-BOSVUODDSA-N 594.709 2.866 50 10 KFGE CCCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21 254478245 BCHHWPZMWFPLBE-UHFFFAOYSA-N 501.551 2.738 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084014665 FOPYZVYDRGZOHW-UHFFFAOYSA-N 556.553 2.729 50 10 KFGE COc1cc(C(=O)NCC(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc(OC)c1OC 252599203 DGVJPGSIFCSIGI-UHFFFAOYSA-N 502.527 2.510 50 10 KFGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 256025121 MYICVNXUBYIEDS-LJYNVUORSA-N 609.730 2.547 50 10 KFGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 2314476055 HWTULTKEVRYIHV-QHCPKHFHSA-N 565.677 2.534 50 10 KFGE C[C@@H](CBr)N1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364210012 XYCCVIOMOSIAFF-KRWDZBQOSA-N 500.459 2.574 50 10 KFGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)c1OC(=O)c1ccccc1 254405281 ZJZFPVTZPYJKRS-KRWDZBQOSA-N 559.587 2.599 50 10 KFGE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2350361849 UXVKSKNWBUWKPC-YCRPNKLZSA-N 509.691 2.961 50 10 KFGE Cc1nc2ccc(Br)cn2c1C(=O)NN=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 1084220036 XDSPPVPZAWDLTN-LJQANCHMSA-N 514.380 2.843 50 10 KFGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCc3ccccc32)c1OC(=O)c1ccccc1 254763049 GAORMTDVNZFSDS-UHFFFAOYSA-N 579.577 2.787 50 10 KFGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccccc2O)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 254819340 IDDQDWALZRBHCN-UHFFFAOYSA-N 529.571 2.772 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](CBr)(C(F)(F)F)C1 2167690537 SQJZSBUEUDKMHF-IRXDYDNUSA-N 515.323 2.990 50 10 KFGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)cc1 2296849527 IPZJLEFELHIJAT-UHFFFAOYSA-N 500.559 2.649 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CC[C@@H](CBr)CO1 2364197939 QRZCRNBHLZWNCI-IRXDYDNUSA-N 501.443 2.953 50 10 KFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 13999324 NZWONACBVPWZSV-UHFFFAOYSA-N 528.631 2.782 50 10 KFGE CCOC(=O)c1c(N)sc(C(C)=NNC(=O)CC(=O)NN=C(C)c2sc(N)c(C(=O)OCC)c2C)c1C 1084080789 WYWFPJCLBQTUSG-UHFFFAOYSA-N 550.663 2.715 50 10 KFGE N#C[C@@H](O)Cc1cc(I)cc(I)c1I 1951520697 VXMDGQHEMHKMGO-ZETCQYMHSA-N 524.865 2.927 50 10 KFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2205475681 UZMNVJCZMQMGAN-PPHZAIPVSA-N 500.404 2.979 50 10 KFGE CCCOc1ccc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 1083892717 ZGZZJJWMCONUBN-AREMUKBSSA-N 570.693 2.690 50 10 KFGE O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084272470 DDGROTVZJJWPSJ-UHFFFAOYSA-N 568.568 2.685 50 10 KFGE COc1cc(C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)ccc1O 2297642526 LYPHLZMFSLKUPV-QSCWTLNZSA-N 568.667 2.829 50 10 KFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080791 XOLFRWMYKGCUDZ-UHFFFAOYSA-N 562.196 2.600 50 10 KFGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502269 RJKWOYAJNHFISH-MRVPVSSYSA-N 502.292 2.913 50 10 KFGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 214419858 XCQLMRDPCYZMLQ-IMRQLAEWSA-N 615.668 2.716 50 10 KFGE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 504045158 HQEHABLFHCPQHP-PFIUSLQNSA-N 525.436 2.844 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC1CCOCC1 2195476424 PNSHBAJQVLMXAU-YWZLYKJASA-N 505.406 2.510 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1I 100285187 WBHKAPHWHFLDRE-RUDMXATFSA-N 526.312 2.557 50 10 KFGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 254833959 OVUZICKDLXQOQQ-UHFFFAOYSA-N 514.538 2.775 50 10 KFGE N=C1O[C@H](c2cccc([N+](=O)[O-])c2)C(=NNC(=O)c2ccccc2O)C1=NNC(=O)c1ccccc1O 254744461 BPFNFKPXOVYINB-OAQYLSRUSA-N 502.443 2.627 50 10 KFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1c(F)cccc1B(O)O 2289646442 PGFFPTGIZQMZIF-SANMLTNESA-N 504.367 2.728 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@]1(CBr)CCCOC1 2364204105 BHJYRYZGRVGNCT-NRFANRHFSA-N 501.443 2.954 50 10 KFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 14021475 IHAWZMWSZISJRX-UHFFFAOYSA-N 512.300 2.707 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100077762 LQQADAQPARIKPS-UHFFFAOYSA-N 577.167 2.743 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccncc3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920625 KOOLFLATVPVRQD-ZCRIHAIZSA-N 523.630 2.510 50 10 KFGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084428143 QKQGKBUURPOXCS-UHFFFAOYSA-N 568.368 2.959 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)Cc2ccccc2)cc1 1084592750 WKBBNYMCNSYXKF-HHHXNRCGSA-N 594.690 2.710 50 10 KFGE O=C(Cc1ccccc1[N+](=O)[O-])NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859007241 OUMKWBMJXBSTRF-UHFFFAOYSA-N 528.499 2.882 50 10 KFGE CC(=C(C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCC(C(N)=O)(N2CCCCC2)CC1 2293963662 OUDJGFCXDZUDJZ-UHFFFAOYSA-N 538.596 2.714 50 10 KFGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 100318815 DMACKSQFAXRACF-CQSZACIVSA-N 537.436 2.761 50 10 KFGE C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCN3CCCC3=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 253624546 VEPULSDQYCFBMC-BECXKVJNSA-N 508.612 2.647 50 10 KFGE COC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1083980093 XWPLITDWAONLGE-UHFFFAOYSA-N 555.609 2.597 50 10 KFGE C[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)c1nnc(CBr)s1 1877567237 JOCYEHASDWICGN-LLVKDONJSA-N 501.428 2.736 50 10 KFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2205522649 CKFVTQDOXLPSIY-WINIVTDRSA-N 500.404 2.979 50 10 KFGE COc1cc(C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)ccc1O 38140251 LYPHLZMFSLKUPV-MFOICCHLSA-N 568.667 2.829 50 10 KFGE biogenic CC(=O)O[C@@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@]1(O)CCl 2060321376 OEVPPNBQSYOUCV-HWZURCHTSA-N 577.067 2.626 50 10 KFGE Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NNS(=O)(=O)c1ccc(Br)cc1 102759002 TVDRNJLGPKDCFF-UHFFFAOYSA-N 520.125 2.745 50 10 KFGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(C(=O)O)oc1Br 2181751038 QCFRFQWLGCHUHS-UHFFFAOYSA-N 505.434 2.925 50 10 KFGE O=C(CNC(=O)OCc1ccccc1)N[C@]1(C(=O)O)C(I)=CC(I)=C(C(=O)O)[C@H]1I 888085984 PTQBWDVDGWVGEH-RDTXWAMCSA-N 752.037 2.762 50 10 KFGE COc1cc(C=NNC(=O)c2ccc(CSc3nncn3C)cc2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 254558115 FRIJBJGMGOITIO-RTBURBONSA-N 552.657 2.895 50 10 KFGE Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]3O)ccc12 256125040 YTHDSJIOVBDTQV-SPLDPELNSA-N 576.718 2.864 50 10 KFGE C=CCc1cccc(C=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1O 1084179719 UYNWBECTUGOFMG-UHFFFAOYSA-N 526.535 2.932 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccccc3O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642551 OSYNIELXSXHLKV-LUROOHPNSA-N 538.641 2.821 50 10 KFGE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)c1cc(OC)c(OC)c(OC)c1 103919664 MRIDPSUMTAEBQN-FYJGNVAPSA-N 539.570 2.796 50 10 KFGE COC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084297353 JAYFQUBRVUXGGH-UHFFFAOYSA-N 552.609 2.538 50 10 KFGE COc1cccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1OC 1084475893 KZAJLIKUCAZMSY-UHFFFAOYSA-N 529.546 2.960 50 10 KFGE Cc1c(CC(=O)O)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1B(O)O 1887517746 DLGFIRSJVZZRTF-UHFFFAOYSA-N 528.414 2.990 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCc1nnc(CBr)s1 2338853659 YYVFPGHPWRXATH-UHFFFAOYSA-N 501.428 2.709 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815074 NQELYSMXGRHQMW-JJIBRWJFSA-N 511.516 2.590 50 10 KFGE CCOC(=O)N1CCN(C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@H]([C@H]2C)[C@]53OO4)CC1 223808857 FKHWPOYGRNRGOB-KSKAODLKSA-N 524.611 2.819 50 10 KFGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4[N+](=O)[O-])c(C)c32)cc1 1772749164 QRJKKHVFJOHUHL-UHFFFAOYSA-N 525.543 2.898 50 10 KFGE COc1ccc(-c2csc(CCN3C[C@H](C(=O)N4CCC[C@H](C(=O)NNc5ccccn5)C4)CC3=O)n2)cc1 1872962141 QICZZOULLIBUMF-LEWJYISDSA-N 548.669 2.987 50 10 KFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NS(=O)(=O)c1ccc(C)cc1)CCC2 40815304 FLXSOTPQSBVWHC-LGUFXXKBSA-N 510.572 2.999 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2164488741 YDLKTKZCAPGPFA-WHCBVINPSA-N 515.323 2.846 50 10 KFGE C=CC[C@]1(O)C[C@H](CI)[N+]2(CC[N+]3(CC2)C[C@](O)(CC=C)C[C@@H]3CI)C1 100501292 PDTPGEOBPZEFOB-CLELJHENSA-N 588.312 2.663 50 10 KFGE COC(=O)CN1C(=O)C(=NNC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 254533900 VYQUWECQUUMRNG-TVGJBFICSA-N 542.548 2.515 50 10 KFGE COc1cc(C(=O)NCC(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC 254735703 SHKJDQYTNYWVNH-UHFFFAOYSA-N 536.497 2.720 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H](Br)CBr 1901044326 HBACIRNIAGVZPS-ZDUSSCGKSA-N 510.248 2.921 50 10 KFGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 101492944 HVZUZKYATHHRKQ-UHFFFAOYSA-N 517.256 2.569 50 10 KFGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCCN(S(C)(=O)=O)C2)C1 2270093380 VLBJYVQFJAVEKH-WMLDXEAASA-N 502.415 2.632 50 10 KFGE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](CCBr)C1 2364189786 FHEOMOBKFXFCID-KRWDZBQOSA-N 500.459 2.574 50 10 KFGE COc1cc(/C=C\C(=O)NNC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 102992483 KGEWLQFHGLCCSE-KTKRTIGZSA-N 623.713 2.773 50 10 KFGE N=C1O[C@@H](c2cccc([N+](=O)[O-])c2)C(=NNC(=O)c2ccccc2O)C1=NNC(=O)c1ccccc1O 254744460 BPFNFKPXOVYINB-NRFANRHFSA-N 502.443 2.627 50 10 KFGE NNC(=O)c1nc(COc2c(I)cc(Cl)cc2I)ns1 724348202 WCOALVZGHHXBJT-UHFFFAOYSA-N 536.520 2.583 50 10 KFGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502267 RJKWOYAJNHFISH-QMMMGPOBSA-N 502.292 2.913 50 10 KFGE O=C(Cc1ccccc1)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 12571391 MHNHYVZSDCSUHT-UHFFFAOYSA-N 501.200 2.855 50 10 KFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccc(OC)c(OCn2cccn2)c1 103929101 XVTQKXGSGYTGEJ-JFLMPSFJSA-N 558.628 2.741 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(C)cc2)cc1 254301426 LBEYAMBTJYWQNU-UHFFFAOYSA-N 580.663 2.587 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3ccc(O)cc3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 254806246 NJKACLJQQJZZGC-DZBCMPAKSA-N 538.641 2.821 50 10 KFGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)Cc2ccccc2)c1[N+](=O)[O-] 40659405 MRFPLFPWIRVRAZ-UHFFFAOYSA-N 506.306 2.900 50 10 KFGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 100318003 KMCGERWKIHVCLV-LBPRGKRZSA-N 529.185 2.688 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1083948442 QVVKNHWLHBVICX-UHFFFAOYSA-N 535.582 2.902 50 10 KFGE COc1ccc2c(c1)C(=NNC(=O)CCCC(=O)NN=C1C(=O)N(C(C)C)c3ccc(OC)cc31)C(=O)N2C(C)C 1772720540 PDPLNHAQQRSJRD-UHFFFAOYSA-N 562.627 2.725 50 10 KFGE CCOc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 58989123 MZFBBCNXAAEGAF-YDZHTSKRSA-N 514.524 2.897 50 10 KFGE O=C(CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 312135824 DTDHVYJZOQRMQL-FSSWDIPSSA-N 567.085 2.622 50 10 KFGE O=C(NOCCCNC(=O)c1cc(B(O)O)c(F)cc1Cl)OCC1c2ccccc2-c2ccccc21 2270439924 XRMWWNVZFIDBAZ-UHFFFAOYSA-N 512.730 2.749 50 10 KFGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c(OC)c1 104768372 JPVAXBFABHMICT-FSJBWODESA-N 530.523 2.515 50 10 KFGE CC(=O)O[C@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083818452 VGYXHRLXTGSRIS-ZIUUJSQJSA-N 586.710 2.646 50 10 KFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1nscc1B(O)O 2268647203 NMKGSOQZALHIBE-PBPSECFOSA-N 507.421 2.954 50 10 KFGE COc1ccc(C=CC(=O)NCC(=O)NN=C2C(=O)Nc3c(Br)cc(Br)cc32)cc1 2296382151 QAHMLWDFRYWOPI-UHFFFAOYSA-N 536.180 2.822 50 10 KFGE CCOc1cc(C=NNC(=O)CNS(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1 254822668 GVGKJGFOMMHFEM-UHFFFAOYSA-N 511.556 2.742 50 10 KFGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(SCC(=O)NNc2ccc(F)cc2)n[nH]1 1084339391 NGNDKADLHRYGOP-UHFFFAOYSA-N 550.624 2.956 50 10 KFGE CN(C)C[C@@H]1C[C@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215300 JKFNZJBXFWNUEW-IRXDYDNUSA-N 500.459 2.572 50 10 KFGE CCOc1ccc([C@H](O)CCC(=O)NN=C[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1084284429 YACMWCZPGXIYSZ-RBUKOAKNSA-N 502.980 2.718 50 10 KFGE CN([C@H](CCBr)C(F)(F)F)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2122013105 YINIJTBCBJPZPD-CJNGLKHVSA-N 503.312 2.988 50 10 KFGE O=C(NNC(=O)c1ccc(N2C(=O)c3ccc(C(=O)NNC(=O)c4ccccc4)cc3C2=O)cc1)c1ccccc1 105669852 ACHXAAHMHKTNRE-UHFFFAOYSA-N 547.527 2.637 50 10 KFGE Nn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1ccncc1 104768531 NQEQRRQOUGICEQ-QPSGOUHRSA-N 527.202 2.527 50 10 KFGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 1866629974 BPTCTTLOFUQJBS-GOSISDBHSA-N 509.009 2.573 50 10 KFGE Cc1cc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)ccc1Br 1872963204 ZSOVWHBNMGPSTL-IAGOWNOFSA-N 500.397 2.887 50 10 KFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1COc1ccccc1 254387543 UVRBHIDAFOLGFP-UHFFFAOYSA-N 515.446 2.744 50 10 KFGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC 1772720637 UUKDFJJYTMAIPB-UHFFFAOYSA-N 581.578 2.838 50 10 KFGE CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)[C@@H](C)Cl)CC1 103138557 OTMSCHOIGGGJOP-GOSISDBHSA-N 536.522 2.975 50 10 KFGE NNC(=O)c1coc(COc2c(I)cc(Cl)cc2I)n1 395327537 QKKNQSPERKNRNG-UHFFFAOYSA-N 519.464 2.720 50 10 KFGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N(C)C)cc1I 2313567893 PAHAPDZUOUCSEV-UHFFFAOYSA-N 507.122 2.991 50 10 KFGE CC(=NNC(=O)c1c(CN2CCOCC2)nnn1-c1nonc1N)c1ccc(OCc2cccc3ccccc23)cc1 254614525 LJNNCHJTLHMBDA-UHFFFAOYSA-N 567.610 2.951 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)Cc2ccccc2)cc1OC 1084227977 PAYJCZKHTRPCPL-UHFFFAOYSA-N 582.679 2.948 50 10 KFGE O=C(O)CCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)OCCO2 254401332 SCVLKFRXJKIFKL-UHFFFAOYSA-N 501.561 2.631 50 10 KFGE CCS(=O)(=O)N(CC(=O)NN=C(C)c1ccc(I)cc1)c1ccc(OC)cc1 1084413533 VMQQEGMXFUQPMT-UHFFFAOYSA-N 515.373 2.996 50 10 KFGE C[C@@H](Sc1n[nH]c(NN=Cc2cc(Br)cc(Br)c2O)n1)C(=O)NNC(=O)C1CCC1 1084506042 BGIIYVHMNSRALG-MRVPVSSYSA-N 561.260 2.909 50 10 KFGE O=C(COc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859005682 XUJCWBRBDDEUBK-UHFFFAOYSA-N 517.491 2.949 50 10 KFGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nnc(N2CCOCC2)n1-c1ccccc1 2053622953 WVEDOYUEPZADSL-UHFFFAOYSA-N 503.519 2.799 50 10 KFGE COCCNC(=O)/C(C#N)=C\c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 2200785 JODGKOWZHFTLFV-CYVLTUHYSA-N 506.994 2.653 50 10 KFGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc(OC)c1OC(=O)N1CCOCC1 3014084 HECFVDLXYKOMFQ-FQEVSTJZSA-N 505.483 2.859 50 10 KFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 101483901 MAWUOQMVPXSYNO-UHFFFAOYSA-N 530.523 2.824 50 10 KFGE COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)/C(C#N)=C(/C)N)c2)cc1Cl 103088769 REVASAXNCGAPCU-SSZFMOIBSA-N 507.952 2.664 50 10 KFGE COc1cccc(/C=N\NC(=O)c2cccc(F)c2NS(=O)(=O)c2cccs2)c1OCC(=O)O 675031772 MUGKEFWZJMJUEO-KSEXSDGBSA-N 507.521 2.924 50 10 KFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCBr)CCSCC1 2108228711 QKQNORGWGGYEPH-GOSISDBHSA-N 507.447 2.981 50 10 KFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOC)c(Br)c2)cc1 100202028 RZHZFMSDBMRHCK-UHFFFAOYSA-N 568.446 2.756 50 10 KFGE COc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1I 12582895 IYPGFSQAHSIHBU-UHFFFAOYSA-N 505.106 2.902 50 10 KFGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 14660424 FTBSLFNYZHTJOQ-UHFFFAOYSA-N 511.354 2.859 50 10 KFGE CCOc1cc(C=NNC(=O)COc2cc(Br)c(C=NO)cc2OC)ccc1OCC(=O)OC 254408721 ZCQFFNDYLCHWBL-UHFFFAOYSA-N 538.351 2.745 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)Cc2ccccc2)cc1 1084399058 GHYLVKSVGLTJKD-UHFFFAOYSA-N 509.544 2.894 50 10 KFGE COCCCNC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 1084632792 LSFODDOLGATFDP-UHFFFAOYSA-N 547.033 2.927 50 10 KFGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 110556838 CCILGHZKOZCVOR-KZVLXBEFSA-N 579.704 2.924 50 10 KFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 2354663969 YDLKTKZCAPGPFA-JDSLSITLSA-N 515.323 2.846 50 10 KFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OCCOc1ccccc1 100313967 LLJBYNFVHRFSQP-OAQYLSRUSA-N 532.622 2.829 50 10 KFGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1 217257254 CRDWUCCMVXCDTA-UZYVYHOESA-N 530.050 2.525 50 10 KFGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)c(C)c32)cc1 1772748272 KDZRUFPUUUXFFX-UHFFFAOYSA-N 525.543 2.898 50 10 KFGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1 12572217 IRFGFBWGKKGYFH-UHFFFAOYSA-N 513.801 2.922 50 10 KFGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC)c(I)c2)cc1 14019349 HGEVNAAUGIWURR-UHFFFAOYSA-N 511.341 2.814 50 10 KFGE N#C[C@@H](C(=O)NNC(=O)c1ccc(I)cc1)C(=O)c1ccc(I)cc1 105056437 FWPMOKCJEQNQFN-CQSZACIVSA-N 559.101 2.679 50 10 KFGE Cc1c(Cl)cc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2266904512 FTJVVXNEQWNHRZ-UHFFFAOYSA-N 508.767 2.918 50 10 KFGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc2c(c1)OCO2 59246788 VHBVMEFYRCBVPR-BHGWPJFGSA-N 506.353 2.548 50 10 KFGE O=C(CCCCC(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 100065106 MBYUIKCOOULMNW-UHFFFAOYSA-N 541.304 2.592 50 10 KFGE COc1ccc(/C=C\C(=O)NNC(=O)COc2ccccc2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 103033222 TUZCJYQVCXXPBM-OWBHPGMISA-N 565.648 2.547 50 10 KFGE CC(=O)O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616590967 VGYXHRLXTGSRIS-SXEGYFPYSA-N 586.710 2.646 50 10 KFGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 100314119 DNOUMBJBZMVKJX-INIZCTEOSA-N 533.448 2.921 50 10 KFGE CNC(=O)Nc1ccc(C(=O)N/N=C\[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)cc1 118917587 PNZGSNYJSGYHLU-PTJVNJCVSA-N 594.709 2.866 50 10 KFGE biogenic COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)c1cc(OC)cc(OC)c1 205944416 XXYSJNZAFWODEB-FYJGNVAPSA-N 509.544 2.788 50 10 KFGE CC1CCN(c2ccc(C=NNC(=O)Cn3c(-c4nonc4N)nc4ccccc43)cc2[N+](=O)[O-])CC1 252618356 LFHCDCIBMPCRCK-UHFFFAOYSA-N 503.523 2.963 50 10 KFGE COc1ccc(OCc2ccc(C=NNc3nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]3)o2)cc1 1084441561 BBIKAVMRVOHPMI-AWEZNQCLSA-N 501.569 2.715 50 10 KFGE COc1ccc(C=CC(=O)NNC(=O)COc2ccccc2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 2042443290 TUZCJYQVCXXPBM-UHFFFAOYSA-N 565.648 2.547 50 10 KFGE COc1ccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC 2324064312 LAIYAUMKLZUIBW-UHFFFAOYSA-N 506.968 2.836 50 10 KFGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCN(CCO)CC1)[C@@H]2Br 100935303 DXKPXGRHTNETSE-RLCCDNCMSA-N 517.100 2.809 50 10 KFGE COc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1O 725420215 HVTQDWIISYUYIO-UHFFFAOYSA-N 515.519 2.657 50 10 KFGE C[C@@H](C(=O)NNS(=O)(=O)c1ccc(Br)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860770607 PJLWPRIAKPMPLY-NSHDSACASA-N 511.423 2.670 50 10 KFGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011492 NEYLINDVNNKSAK-UHFFFAOYSA-N 504.996 2.647 50 10 KFGE CCC[C@H](NC(=O)[C@H](Cc1cccc(N(CCCl)CCCl)c1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(F)cc1)C(=O)OCC 150385499 MCGIGMPPRWHWAP-QKDODKLFSA-N 654.611 2.671 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2cccc(OC)c2O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 254592611 FXPKOZSIUGMPPB-UHFFFAOYSA-N 526.571 2.713 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772747663 NQELYSMXGRHQMW-UHFFFAOYSA-N 511.516 2.590 50 10 KFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F 2254205030 QLBYTSJXHAYULB-NWDGAFQWSA-N 507.597 2.825 50 10 KFGE C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCN2CCCC2=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 254607497 VEPULSDQYCFBMC-HZHADGIKSA-N 508.612 2.647 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC(F)(F)C(F)(F)CBr 2336534132 LXJDBPPICRXHKF-AWEZNQCLSA-N 507.275 2.596 50 10 KFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1Br 14662136 CFNXNCZXYOAPMW-UHFFFAOYSA-N 516.801 2.842 50 10 KFGE CCOC(=O)C(C#N)=CC(C(=O)OCC)=C(N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 2040768006 GHVULNIXJUHLLP-UHFFFAOYSA-N 501.893 2.622 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100055233 XEMVVHUNLARPKS-UHFFFAOYSA-N 535.214 2.867 50 10 KFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCC(C)CC1)c1ccc(OC(=O)c2ccccc2)cc1 263631212 LMFOADKNCUAFGC-UHFFFAOYSA-N 543.588 2.838 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 1084113855 KXIHELDGKHKEIP-UHFFFAOYSA-N 508.556 2.952 50 10 KFGE C[C@@H](Br)CN1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2176853110 CLIYWBLXCWRCAJ-QGZVFWFLSA-N 500.459 2.574 50 10 KFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1Br 14662088 UQZNPODZKOAZGJ-UHFFFAOYSA-N 510.410 2.806 50 10 KFGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40658351 IKKJNTQAHLPFTI-UHFFFAOYSA-N 502.285 2.670 50 10 KFGE COc1cc(C=NNC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c(Br)c(Br)c1O 254294854 PMNOIWKFIWWIDF-TZMCWYRMSA-N 511.170 2.906 50 10 KFGE CC(C)N1C(=O)C(=NNC(=O)CCCC(=O)NN=C2C(=O)N(C(C)C)c3ccccc32)c2ccccc21 254310748 VYIREEIDLOXDGR-UHFFFAOYSA-N 502.575 2.708 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 725438255 IFJVMERSDDZBCS-MUUNZHRXSA-N 608.717 2.753 50 10 KFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 100081177 YNUGQEAFVOWJNQ-UHFFFAOYSA-N 523.409 2.667 50 10 KFGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 101492642 IGVQUKWSKBCKJU-UHFFFAOYSA-N 517.256 2.569 50 10 KFGE CCOc1cc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc(I)c1O 1084136112 FGELJZZABCIPPI-UHFFFAOYSA-N 501.708 2.815 50 10 KFGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 1084151420 DKLGMIWKTLRABW-UHFFFAOYSA-N 548.596 2.929 50 10 KFGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCCCn1ccnc1 101013225 YRNRJEGNAHQRAY-HKOYGPOVSA-N 571.663 2.870 50 10 KFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)c1 100248606 WRXOYCJVVJSISS-UHFFFAOYSA-N 543.383 2.664 50 10 KFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 101483925 DUEZNICOGILQOS-UHFFFAOYSA-N 544.550 2.753 50 10 KFGE COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)CCCl)CC3)c2)cc1OC 103435754 OSBNFGPCNKQAGX-UHFFFAOYSA-N 540.082 2.853 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2C)cc1I 14649024 JHQDSUFBHYESGS-UHFFFAOYSA-N 513.357 2.631 50 10 KFGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(SCC(=O)NNc2ccc(F)cc2)[nH]1 253570164 NGNDKADLHRYGOP-JFLMPSFJSA-N 550.624 2.956 50 10 KFGE COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)C(C#N)=C(C)N)c2)cc1Cl 2042440229 REVASAXNCGAPCU-UHFFFAOYSA-N 507.952 2.664 50 10 KFGE COc1cc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc(OC)c1OC 12569854 WCUMTIYTJVWUQL-UHFFFAOYSA-N 508.984 2.729 50 10 KFGE O=C(COc1nsnc1N1CCOCC1)NN=Cc1sc(=O)n(Cc2ccc(Br)cc2)c1Cl 1772721687 FSAPRFOYOICAMC-UHFFFAOYSA-N 573.882 2.591 50 10 KFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1nscc1B(O)O 2268678213 FWNZQHDVVYYKHE-QMHKHESXSA-N 507.421 2.906 50 10 KFGE O=C(N/N=C/c1cccc(Cl)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 105584637 KEBSQAFIBVDXIH-OINMWHHXSA-N 547.058 2.554 50 10 KFGE COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1CSc1ccccn1 254302178 AVECIMNGZBOJDA-UHFFFAOYSA-N 533.610 2.944 50 10 KFGE CC(C)[C@@H](N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCCSSc2ccccn2)cc1 306147404 YMBCOKQFJNGLRV-RBBKRZOGSA-N 591.760 2.603 50 10 KFGE OB(O)c1cc(Nc2cc(Br)c(I)c(Br)c2)ncc1F 2370021595 FJEIKNFNOFPJLO-UHFFFAOYSA-N 515.711 2.774 50 10 KFGE CCCCN1C(=O)C(=NNC(=O)CC(=O)NN=C2C(=O)N(CCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720667 RFATWRZFJMVTJY-UHFFFAOYSA-N 562.627 2.728 50 10 KFGE CCOC(=O)/C(C#N)=C\C(C(=O)OCC)=C(\N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 32914619 GHVULNIXJUHLLP-OQGNJANVSA-N 501.893 2.622 50 10 KFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OCCc1ccccc1 13623583 NRSKKSHSUSQYGK-JOCHJYFZSA-N 516.623 2.992 50 10 KFGE Cc1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)c(=O)n(-c2ccccc2)n1C 19800577 BJOYXZKQTBZPEZ-JXAWBTAJSA-N 503.540 2.938 50 10 KFGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104768455 UAGZYHXLPNKAPC-LSHDLFTRSA-N 565.366 2.966 50 10 KFGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858958336 FCCNWPGDOXYKLQ-UHFFFAOYSA-N 500.445 2.910 50 10 KFGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 1865757478 FLCIKHCBYPUSSA-UHFFFAOYSA-N 502.487 2.923 50 10 KFGE NC(=O)NCCC[C@H](NC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2049389399 PZQDBSJRPAVEDY-MHZLTWQESA-N 735.751 2.564 50 10 KFGE CC(C)[C@@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)N1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1615526639 VKBLZOKSOHWLHH-CHDKBHGASA-N 724.724 2.713 50 10 KFGE COc1cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(OC)c1OC 1860772009 OFFYEUGZYIIGQP-CHWSQXEVSA-N 500.577 2.631 50 10 KFGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(Br)c1OC 19651402 OCVWXUFAHGIFDV-LGPHULDDSA-N 520.409 2.908 50 10 KFGE N#CC1(O)CCN(C(=O)c2cc(I)cc(I)c2I)CC1 692111368 DUCRIXUQLXFEAQ-UHFFFAOYSA-N 607.955 2.991 50 10 KFGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccco2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 1084116907 HXDAWUAESBQKIV-UHFFFAOYSA-N 503.533 2.660 50 10 KFGE CC(C)COc1ccc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 1084249535 XKTGMLNYLRWPEB-MHZLTWQESA-N 584.720 2.936 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCN1CCC(Br)CC1 2364202304 QUQQLIUFAUOPGE-UHFFFAOYSA-N 500.459 2.622 50 10 KFGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1OCCc1ccccc1 13630297 OFMXZHMYUZMHAP-IBGZPJMESA-N 506.584 2.585 50 10 KFGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 195786550 YEJYGCSQLCXHSL-PKLSKMGNSA-N 558.700 2.729 50 10 KFGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859007315 SXQFACSJVOOHKO-UHFFFAOYSA-N 514.472 2.953 50 10 KFGE N#CSc1ccc(NC(=O)CNC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 1868145363 PXPLFRKNMZROJU-OAHLLOKOSA-N 501.615 2.913 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084597842 IVNWWRVSFXKMMX-UHFFFAOYSA-N 506.353 2.517 50 10 KFGE COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O 254854761 LCKJOBPLFKAIFK-UHFFFAOYSA-N 510.572 2.700 50 10 KFGE O=C(NN=Cc1c(F)cccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 725425888 XBCJDZVPSRVUKC-HSZRJFAPSA-N 565.048 2.693 50 10 KFGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCC#N)c(I)c1 2313568196 SWVQVCHJGSPFBL-UHFFFAOYSA-N 507.069 2.793 50 10 KFGE O=C(CSc1nnc(N/N=C/c2cc(Br)ccc2O)[nH]1)NNC(=O)c1ccc(Cl)cc1 104461405 ITRAIZRYLZFSKZ-ODCIPOBUSA-N 524.788 2.926 50 10 KFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2205475684 UZMNVJCZMQMGAN-WINIVTDRSA-N 500.404 2.979 50 10 KFGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 100318748 YMQDHMVLVXONSO-CQSZACIVSA-N 537.436 2.905 50 10 KFGE NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084578902 JTVPDHZOFTWREE-UHFFFAOYSA-N 573.469 2.697 50 10 KFGE O=C(COc1ccccc1)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080659 JKSQCFZEDMVKJS-UHFFFAOYSA-N 517.199 2.691 50 10 KFGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 101013403 HWTULTKEVRYIHV-RNHBDSLOSA-N 565.677 2.534 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 254741923 QSVXRKRQSVYPMB-UHFFFAOYSA-N 525.543 2.907 50 10 KFGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc(F)c3)cc2)cc(OC)c1OC 254771620 MQEUWRZJCWTWRE-UHFFFAOYSA-N 509.490 2.951 50 10 KFGE COc1ccccc1NN=C(C(=O)NN=Cc1ccc(OC)c(OC)c1)C(=O)NN=Cc1ccc(OC)c(OC)c1 254865609 HTWIGYVNCHXPBV-UHFFFAOYSA-N 562.583 2.798 50 10 KFGE COc1cccc(OCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1858957433 YYTMMKMJGPWVRF-UHFFFAOYSA-N 515.500 2.776 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 254877009 TYCXSLMGZKAHAL-UHFFFAOYSA-N 613.649 2.861 50 10 KFGE CC1(C)[C@H](COC(=O)CCSSCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CC=[N+]1[O-] 256002032 SQDWGYYOGJCTFX-OGNFBWPZSA-N 532.754 2.523 50 10 KFGE in-vitro COc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](CO)C(=O)Nc4ccc(SC#N)cc4)cc3C2=O)cc1OC 1866578093 DNGRJIVRGMNCGC-NRFANRHFSA-N 546.561 2.807 50 10 KFGE COc1cc(-c2nnc(SCC(=O)NN/C=C3/C=C([N+](=O)[O-])C=CC3=O)n2-c2ccccc2)cc(OC)c1OC 137963842 ADECMTSJMURJFE-VKAVYKQESA-N 564.580 2.856 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1I 14002176 ZYMPKNNRVYGZET-UHFFFAOYSA-N 503.749 2.831 50 10 KFGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 100239143 YACMWCZPGXIYSZ-TXCGGMSCSA-N 502.980 2.718 50 10 KFGE COc1cc(C=NNC(=O)c2cc(C(=O)NN=Cc3ccc(O)c(OC)c3)cc([N+](=O)[O-])c2)ccc1O 254737410 PKWQQAOIWTVUSV-UHFFFAOYSA-N 507.459 2.551 50 10 KFGE COc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)N/N=C\c2cccc(OC)c2OCC(=O)O)c1 1083102392 GWMPRQKWOBUTLT-FMCGGJTJSA-N 519.557 2.793 50 10 KFGE COc1cc(C(=O)OCC(=O)C(C#N)=C(C)N)ccc1OCC(=O)Nc1ccc(Br)cc1 2042438387 FHDVPGAHSAWDSA-UHFFFAOYSA-N 502.321 2.957 50 10 KFGE NNC(=O)[C@H]1CC[C@H]1COc1c(I)cc(Cl)cc1I 2228966939 RBDBXGLNSOZNHC-XPUUQOCRSA-N 506.509 2.944 50 10 KFGE CCN(CC)Cc1c(C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)nnn1-c1nonc1N 254483200 XDPVETOLWYBUMV-UHFFFAOYSA-N 528.371 2.861 50 10 KFGE CCOc1ccc([C@@H](O)CCC(=O)NN=C[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1084284428 YACMWCZPGXIYSZ-OALUTQOASA-N 502.980 2.718 50 10 KFGE O[C@@H](Cc1nc(CCl)cs1)Cn1cnc(I)c1I 2084024718 PJKVULIMCNBLHE-ZETCQYMHSA-N 509.538 2.891 50 10 KFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nscc1B(O)O 2268647206 NMKGSOQZALHIBE-PXAQALGRSA-N 507.421 2.954 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC(F)(F)C(F)(F)CI 2336530494 WYKBGHWQGULUEQ-AWEZNQCLSA-N 554.275 2.636 50 10 KFGE CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)O[C@@]3(C3OCCO3)[C@H](Br)[C@@H]2Br)cc1 102952929 QXNVQAAAGNZOPA-JMHGVQDZSA-N 531.197 2.632 50 10 KFGE COC(=O)c1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 254483035 NTYAEOLWFUWCLB-UHFFFAOYSA-N 525.583 2.832 50 10 KFGE CCOC(=O)N1CCN(C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@@H]2C)[C@@]35OO4)CC1 254902776 FKHWPOYGRNRGOB-FBIGVQRSSA-N 524.611 2.819 50 10 KFGE BrC[C@@H]1CO[C@@H]2CN(c3ncc(I)cc3Br)C[C@@H]2O1 2265030153 OLVMVUYXASGRFR-IEBDPFPHSA-N 503.960 2.816 50 10 KFGE CN(C)C[C@@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215302 JKFNZJBXFWNUEW-SJORKVTESA-N 500.459 2.572 50 10 KFGE COc1cc(C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)ccc1O 253530959 LYPHLZMFSLKUPV-LNPDGQADSA-N 568.667 2.829 50 10 KFGE biogenic COc1ccc(CC(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1859005014 DTWGFTMICZHVRL-UHFFFAOYSA-N 513.528 2.982 50 10 KFGE COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)OCC(=O)C(C#N)=C(C)N)ccc2OC)cc1Cl 2042438070 RAFFXQIDNNHETG-UHFFFAOYSA-N 523.951 2.649 50 10 KFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC1CCOCC1 2195476421 PNSHBAJQVLMXAU-FOIQADDNSA-N 505.406 2.510 50 10 KFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 9826232 SRSDSBGDKNMXJI-UHFFFAOYSA-N 510.410 2.887 50 10 KFGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 14660415 BARGKZCHPWFFFA-UHFFFAOYSA-N 521.437 2.968 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(O)cc3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 38140259 NJKACLJQQJZZGC-FLUCXCQBSA-N 538.641 2.821 50 10 KFGE O=C(NN=Cc1ccc(Br)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1083942067 PQQIEBOGSISPAC-HSZRJFAPSA-N 591.509 2.663 50 10 KFGE COc1cc(C=CC(=O)NNC(=O)COc2ccc(C#N)cc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 2042442959 RWNSLTXEXIAWKU-UHFFFAOYSA-N 562.604 2.566 50 10 KFGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 2296846316 AODDGBHKVHDXKG-KDURUIRLSA-N 505.600 2.990 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 97929730 HQEHABLFHCPQHP-FLQOQCAOSA-N 525.436 2.844 50 10 KFGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1 1084377109 FDNVEAUYJYVDFC-RUZDIDTESA-N 610.689 2.723 50 10 KFGE COc1ccc(OCc2ccc(/C=N/Nc3nc(S[C@H](C)C(=O)NNC(=O)C4CCC4)n[nH]3)o2)cc1 59880202 XHUBOEJBIKCKGS-REMUQMNCSA-N 513.580 2.859 50 10 KFGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2cc(Br)cc(Br)c2O)n1 1084079326 IMACATFUKAQQSP-QMMMGPOBSA-N 549.249 2.765 50 10 KFGE C=CCc1cccc(/C=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1O 104767709 UYNWBECTUGOFMG-ZMOGYAJESA-N 526.535 2.932 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)cc1OC 1084486520 OANYJMJJSWWOAB-UHFFFAOYSA-N 596.706 2.991 50 10 KFGE O=C(c1cccc(-n2c(=O)c3cc4c(=O)n(-c5cccc(C(=O)c6ccc7c(c6)C(=O)OC7=O)c5)c(=O)c4cc3c2=O)c1)c1ccc2c(c1)C(=O)OC2=O 164056428 PHTANPMLXSMOIC-UHFFFAOYSA-N 716.570 2.974 50 10 KFGE Nn1c(SCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nnc1-c1cccnc1 1084483215 GZPPUHUJKWEVDU-UHFFFAOYSA-N 527.202 2.527 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCN(CCBr)CC1 2364198017 RPWMTUXBBRTKCW-UHFFFAOYSA-N 500.459 2.575 50 10 KFGE COc1cc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc(OC)c1OC 100087214 JJDDXAXABGFXER-UHFFFAOYSA-N 532.800 2.843 50 10 KFGE CCOc1ccc(CCN2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OCC 1872962288 SFJIVOIBJHYWJJ-VXKWHMMOSA-N 523.634 2.652 50 10 KFGE COc1ccc2c(c1)/C(=N\NC(=O)CCCC(=O)N/N=C1/C(=O)N(C(C)C)c3ccc(OC)cc31)C(=O)N2C(C)C 100870144 PDPLNHAQQRSJRD-RPZUVYPISA-N 562.627 2.725 50 10 KFGE CCNc1ccc(C(=O)NN=Cc2ccc(OCC(=O)N3C[C@H](C)O[C@H](C)C3)c(OC)c2)cc1[N+](=O)[O-] 254745534 ILXRURPFUNRLQT-CALCHBBNSA-N 513.551 2.814 50 10 KFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1Br 14776658 BSBZYSHHWYIWNU-UHFFFAOYSA-N 505.394 2.765 50 10 KFGE CC[C@@H](NC(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866908860 MPBZLMXUGVVIAG-LADGPHEKSA-N 541.699 2.716 50 10 KFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1nscc1B(O)O 2268666219 FWNZQHDVVYYKHE-MWTRTKDXSA-N 507.421 2.906 50 10 KFGE COc1ccc(CCNC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 216919482 MGIVTQFALIWXME-VLGSPTGOSA-N 504.996 2.548 50 10 KFGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866582569 XCGQHSFWFLFEGX-AVRDEDQJSA-N 515.613 2.676 50 10 KFGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 35447468 MQRFBBJWKXKHIT-PGMHBOJBSA-N 503.584 2.769 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1F 1084183518 JGKCPLIDTCPTOU-UHFFFAOYSA-N 527.334 2.800 50 10 KFGE COc1c(I)cc(I)cc1/C=C(/C#N)c1nn(CCO)c(N)c1C#N 1084361219 LNJQSRDRYIORQX-WMZJFQQLSA-N 561.121 2.611 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1I 14776428 VEHBRGKKKZEXSL-UHFFFAOYSA-N 508.341 2.590 50 10 KFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100197118 RYUSSFSVBBOYTC-UHFFFAOYSA-N 561.252 2.951 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 254754215 FPIRECNRJXJKMP-UHFFFAOYSA-N 524.555 2.697 50 10 KFGE C=CCc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 1615168269 CDOLSFKADCZMEU-FDKIHUSFSA-N 532.327 2.749 50 10 KFGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)c1 2296547632 OLDMOWXAUHDIOD-QHCPKHFHSA-N 505.600 2.992 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(=O)O)cc2)Cc2ccccc2)cc1OC 15913512 ZCOWQFATOATVEI-UHFFFAOYSA-N 511.556 2.743 50 10 KFGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 33361389 JPTICZPHYMEFFI-ZFOVBUMHSA-N 512.975 2.967 50 10 KFGE CC(=O)O[C@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1083818448 VGYXHRLXTGSRIS-OTJWULCMSA-N 586.710 2.646 50 10 KFGE CSc1ccc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 1084358290 OXUCWZCNIFBAKF-DEOSSOPVSA-N 558.707 2.623 50 10 KFGE CN([C@@H](CCBr)C(F)(F)F)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2122013107 YINIJTBCBJPZPD-XJKSGUPXSA-N 503.312 2.988 50 10 KFGE CC(=NNC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc2c(c1)OCO2 1084127995 KLMCNSKRTNLTFA-UHFFFAOYSA-N 528.507 2.617 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccccc3O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642553 OSYNIELXSXHLKV-WGOVGHMOSA-N 538.641 2.821 50 10 KFGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 100318772 KZHAIIYSOXMHIU-OAHLLOKOSA-N 537.436 2.761 50 10 KFGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1C#N 1084096138 RWJCBLPWXXETMV-UHFFFAOYSA-N 548.381 2.923 50 10 KFGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cc(Br)cc(I)c1O 1084188301 CMNKBABZPHYLCE-UHFFFAOYSA-N 527.120 2.563 50 10 KFGE CCOC(CBr)(OCC)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](N)[C@@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O 1775963260 BDBRNKHVDGFCDV-LSHVZKOYSA-N 680.545 2.604 50 10 KFGE COc1ccc(-c2csc(CCN3C[C@@H](C(=O)N4CCC[C@H](C(=O)NNc5ccccn5)C4)CC3=O)n2)cc1 1872962144 QICZZOULLIBUMF-SFTDATJTSA-N 548.669 2.987 50 10 KFGE CCOC(=O)NC(=O)C(C#N)=CN1CCN(c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c(=O)c2Cl)CC1 2040742082 OVRMFRZPKIXOOG-UHFFFAOYSA-N 560.320 2.755 50 10 KFGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1 40794635 MLIVYGCHWCLPBH-UHFFFAOYSA-N 503.588 2.948 50 10 KFGE COc1ccc(CC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)Cc2ccc(OC)cc2)cc1 100040488 RIQTXGRABFGUDQ-UHFFFAOYSA-N 512.607 2.515 50 10 KFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C\c2ccc(OC)c(OC)c2)cc1 106107195 FWQBQCNHDCHBRP-SDQBBNPISA-N 500.577 2.557 50 10 KFGE CC(C)Oc1ccc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 1084591833 SOIBTDGGFUFJDU-AREMUKBSSA-N 570.693 2.688 50 10 KFGE CCN1C(=O)/C(=N/NC(=O)CCCC(=O)N/N=C2/C(=O)N(CC)c3ccc(C)cc32)c2cc(C)ccc21 38180195 NCONRIJQJOJQDZ-AMLXCYGQSA-N 502.575 2.548 50 10 KFGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OC[C@H]2CCCO2)c(Br)c1 13623301 XYIIKBACPNXQDT-RTBURBONSA-N 516.392 2.817 50 10 KFGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c(Br)c1 100080492 HHZPCPVXDRRVQD-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE O=C(CSc1n[nH]c(NN=Cc2cc(Br)cc(Br)c2O)n1)NNC(=O)C1CCC1 1083967206 DPNGGYDFUSISNO-UHFFFAOYSA-N 547.233 2.521 50 10 KFGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNc1nc(SCC(=O)NNC(=O)C2CCC2)n[nH]1 1084403678 BEGHFGIICSSCAA-UHFFFAOYSA-N 536.666 2.775 50 10 KFGE C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@@](C)(O)C/C=C/C(C)(C)OO)CC[C@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 2080447598 QDBRKNVBOYHAGZ-XJOUIVISSA-N 796.992 2.773 50 10 KFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC1CCOCC1 2195485657 UQZZDFLBQXAXML-MRXNPFEDSA-N 501.443 2.808 50 10 KFGE CCN(CCBr)CCC[C@@H](C)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2204136711 BHEWVTXDDAXMBU-QGZVFWFLSA-N 502.475 2.868 50 10 KFGE COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NN=Cc4ccccc4)cc1)N(C)CC3)OCO2 2297639054 VQVHVSZZHQATDA-HSZRJFAPSA-N 511.542 2.741 50 10 KFGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(CC)CC)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254792764 GJLHAHPHDYWDMZ-UHFFFAOYSA-N 609.560 2.846 50 10 KFGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859007697 MFJYJXGEVNSSHM-UHFFFAOYSA-N 514.472 2.953 50 10 KFGE COc1c(Br)cc(Br)cc1/C=N/NC(=O)Cn1c(O)nc2ccccc2c1=O 1873792356 DOMJRMUMOZHIMZ-ODCIPOBUSA-N 510.142 2.786 50 10 KFGE O=S1(=O)C[C@H](Cl)[C@H](NC(=S)Nc2ccc(Oc3ccc(NC(=S)N[C@@H]4CS(=O)(=O)C[C@@H]4Cl)cc3)cc2)C1 59568398 HSHZQWQZTYGYMA-VNTMZGSJSA-N 623.631 2.861 50 10 KFGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(N)=O)cc2)c2cccc(Cl)c2)cc1 1084012851 RJWKZNHYIFESGM-UHFFFAOYSA-N 514.991 2.858 50 10 KFGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 34367171 AODDGBHKVHDXKG-HCBRLPMBSA-N 505.600 2.990 50 10 KFGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 254717104 YADSVHQFXGLOTP-UHFFFAOYSA-N 506.471 2.711 50 10 KFGE O=C(CNC(=O)c1ccccc1Br)NN=Cc1ccccc1C=NNC(=O)CNC(=O)c1ccccc1Br 2297635462 FJXQDSPVXMEZFC-UHFFFAOYSA-N 642.308 2.972 50 10 KFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 9821985 WVNKZINWDZEZCQ-UHFFFAOYSA-N 510.410 2.887 50 10 KFGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1OC 96577902 DXYTZZNCGDYFKD-NTMALXAHSA-N 511.341 2.657 50 10 KFGE COc1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1 725382690 JEGLGLOQVBCDGE-UHFFFAOYSA-N 529.546 2.960 50 10 KFGE COc1cc2c(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c(C(=O)O)n(C)c2cc1OC 1873793275 GQHUABQXJUVTKG-ZWGXDWAISA-N 508.597 2.990 50 10 KFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nscc1B(O)O 2268647200 NMKGSOQZALHIBE-NXHTTZLHSA-N 507.421 2.954 50 10 KFGE CCOC(=O)CN1C(=O)C(=NNC(=O)C(=Cc2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 2294953976 RJGIWEJZNHGKQY-UHFFFAOYSA-N 556.575 2.905 50 10 KFGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 100318731 UIYXWVVJYBFAJA-AWEZNQCLSA-N 523.409 2.515 50 10 KFGE O=C(CN1CCN(Cc2ccccc2)CC1)NN=Cc1cc(I)cc(I)c1O 245238017 CTNSPJSYKWQDLD-UHFFFAOYSA-N 604.230 2.869 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(C(=O)O)cc2)cc1OC 1083986828 UOIPTPJPCZEVLC-UHFFFAOYSA-N 525.583 2.786 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084402103 DFLXKHFSPUZNRB-UHFFFAOYSA-N 524.555 2.697 50 10 KFGE COc1cc(C=NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719969 ALDUFKUVZFHJRI-UHFFFAOYSA-N 611.604 2.846 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CCBr)COCc1ccccc1 1892249668 YOSVMHLUVZZHMU-GOSISDBHSA-N 509.422 2.963 50 10 KFGE COc1c(I)cc(I)cc1C=C(C#N)c1[nH][nH]c(=N)c1C#N 2295157512 VNWRHVCTIDWUTG-UHFFFAOYSA-N 517.068 2.976 50 10 KFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 9826242 QRTRLPZJNAFZIV-UHFFFAOYSA-N 510.410 2.887 50 10 KFGE CCOc1ccc(C=NNC(=O)c2n[nH]c3c2CCC3)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254582488 OTJRJHOTGOTPSG-UXHICEINSA-N 500.603 2.842 50 10 KFGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)c1 100079034 JMPPFVGZEYYLQJ-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc3c(c2)OCO3)cc1OC 1083901398 HKOMFCMLKZMNNA-UHFFFAOYSA-N 525.583 2.816 50 10 KFGE O=C(CCc1ccc2c(c1)OCO2)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084428046 CNKKRHRRLSPYIF-UHFFFAOYSA-N 510.506 2.511 50 10 KFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2285028106 XMXLIDDIJPHUEI-HHHXNRCGSA-N 500.404 2.979 50 10 KFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1c(F)cccc1B(O)O 2289647630 PGFFPTGIZQMZIF-SANMLTNESA-N 504.367 2.728 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1 100080675 JSJSNPOUYSZTHR-UHFFFAOYSA-N 517.199 2.935 50 10 KFGE Cc1cc(Br)ccc1N1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872962658 VQJZXEIOIPENOY-IAGOWNOFSA-N 500.397 2.887 50 10 KFGE O=C(CCCC(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl)NNC(=O)CCC(=O)Nc1ccccc1Cl 100051191 BHNKGTCTIALHBF-UHFFFAOYSA-N 579.441 2.596 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](OC(=O)CBr)CC[C@]34C=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920437 HQEHABLFHCPQHP-REKNCFNESA-N 525.436 2.844 50 10 KFGE C[C@H](Sc1n[nH]c(NN=Cc2ccc(COc3ccc(F)cc3)o2)n1)C(=O)NNC(=O)C1CCC1 1084408810 MFKOQIXGLRKTOM-ZDUSSCGKSA-N 501.544 2.990 50 10 KFGE COc1ccc(OCc2ccc(C=NNc3nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]3)o2)cc1 1084441562 BBIKAVMRVOHPMI-CQSZACIVSA-N 501.569 2.715 50 10 KFGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)c1 10294244 PJRTYRFEPUZBLT-UHFFFAOYSA-N 500.758 2.604 50 10 KFGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccc2c(c1)OCO2 1084041444 RBSWSUTWQAMDKO-UHFFFAOYSA-N 513.503 2.671 50 10 KFGE C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 35447469 MQRFBBJWKXKHIT-LTGZKZEYSA-N 503.584 2.769 50 10 KFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607210 OCZCJJBCKSRHDM-NHFJDJAPSA-N 503.515 2.899 50 10 KFGE O=C(CON=Cc1ccccc1Cl)NNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 254605485 DMNHGWPYPKTYLL-JOCHJYFZSA-N 504.930 2.745 50 10 KFGE O=S(=O)(CBr)Nc1cc(I)cc(I)c1 709820209 LKJCCVVMXSYAJZ-UHFFFAOYSA-N 501.909 2.990 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745174 SKRIWIIBSCHDTM-UHFFFAOYSA-N 520.458 2.950 50 10 KFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2205522642 CKFVTQDOXLPSIY-PPHZAIPVSA-N 500.404 2.979 50 10 KFGE O=C(CCC(=O)Nc1ccccc1)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 13978752 UJEWCYKCTQSTPW-UHFFFAOYSA-N 513.801 2.922 50 10 KFGE COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 97657698 JOKRLHDGVLAPEN-KQWNVCNZSA-N 519.579 2.832 50 10 KFGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCOCC2)cc1C 2297465620 SNQBTIREZSIRDE-UHFFFAOYSA-N 520.611 2.763 50 10 KFGE CCN(CC)Cc1c(C(=O)NN=Cc2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)nnn1-c1nonc1N 254866993 ZNNYVDSGQLSCDJ-UHFFFAOYSA-N 578.590 2.642 50 10 KFGE NNC(=O)c1nc(COc2c(I)cc(I)cc2I)ns1 724346930 AJRFVDQPSQAABB-UHFFFAOYSA-N 627.971 2.534 50 10 KFGE C#CCOc1c(I)cc(/C=C(\C#N)C(=O)N(C)C)cc1I 1084457412 FDHQIARRRHFGIY-IZZDOVSWSA-N 506.081 2.903 50 10 KFGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@@H]1CCCO1 2296846327 BFTWTXIBDRVMQK-VWLOTQADSA-N 547.637 2.762 50 10 KFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3OC)c2[N+](=O)[O-])cc1 40628035 ZSAHYVSLARFSCI-UHFFFAOYSA-N 515.552 2.924 50 10 KFGE Cc1ncc([N+](=O)[O-])n1CC(=O)NN=Cc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12 252604465 FZZLJZKCKMYYRC-UHFFFAOYSA-N 503.475 2.572 50 10 KFGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)c(OC)c1 1084074409 KRAPVYZGWSSDSL-UHFFFAOYSA-N 504.543 2.530 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772752199 YHPLMVCIEWWSOX-UHFFFAOYSA-N 529.506 2.729 50 10 KFGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 100081280 OKOQBTHHFOCUGQ-UHFFFAOYSA-N 533.360 2.990 50 10 KFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 1084136228 REXHFKVSDZNJJN-UHFFFAOYSA-N 568.608 2.551 50 10 KFGE COC(=O)COc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OC 1084326051 VUBFKDCUOAGNIB-KRWDZBQOSA-N 526.327 2.816 50 10 KFGE COc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 254789986 HNWSSCVPFVIIDT-UHFFFAOYSA-N 513.488 2.857 50 10 KFGE COc1cc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc(OC)c1OC 1860770293 BPJGXCVDUYYLLV-UHFFFAOYSA-N 508.556 2.920 50 10 KFGE Cc1cccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2cccc(C)c2)c1 100046072 LMNUYZILMFRXAM-UHFFFAOYSA-N 512.607 2.787 50 10 KFGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)cc1CSC1=NCCS1 254767248 ZLSWZFBWGUVIBZ-UHFFFAOYSA-N 590.742 2.677 50 10 KFGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] 40611417 DLHICJOYEKTXGS-UHFFFAOYSA-N 512.914 2.959 50 10 KFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 59475509 XGKCILRWABHCHQ-DHRITJCHSA-N 522.591 2.525 50 10 KFGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 101013801 MYICVNXUBYIEDS-QQQKSFPESA-N 609.730 2.547 50 10 KFGE O=C(NNc1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067540 UPKCYBUWYLEVDB-UHFFFAOYSA-N 517.256 2.569 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607163 VTBGFDLGKZTELE-NLRVBDNBSA-N 534.485 2.879 50 10 KFGE COc1cc(C(=O)NN=Cc2c(Sc3nnnn3-c3ccccc3)nc3ccccn3c2=O)cc(OC)c1OC 254761453 ZUCNUYRKFSCHPH-UHFFFAOYSA-N 558.580 2.611 50 10 KFGE COc1c(OC(C)=O)ccc(C=NNC(=O)C(=CC2=S=CC=C2)NC(=O)c2ccccc2)c1[N+](=O)[O-] 2296473036 SAZODZZJMUYHIG-UHFFFAOYSA-N 508.512 2.570 50 10 KFGE N#C/C(=C/NCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216495773 YOJLGDMBKGUVJJ-DAFNUICNSA-N 515.639 2.765 50 10 KFGE Cn1c(=O)nc(O)c2c1nc(NN=C1C(=O)N(CCBr)c3ccccc31)n2C[C@H](O)COc1ccc2ccccc2c1 254296070 XWQIOFWBYGPZOL-IBGZPJMESA-N 632.475 2.986 50 10 KFGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296721754 PDRHRZUZRSWWIY-IBGZPJMESA-N 506.584 2.995 50 10 KFGE CCN(CC)c1c(C=NNc2nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)c(C)nn1-c1ccccc1 1083912941 HSTINHWHMPKKJH-KRWDZBQOSA-N 526.671 2.875 50 10 KFGE Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)COc3cc(C)ccc3C)cc2)c1 100060780 OZLACBDWJVHKRH-UHFFFAOYSA-N 518.570 2.600 50 10 KFGE Nn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 164215750 QNDSHBIDSZIUON-AERZKKPOSA-N 616.208 2.948 50 10 KFGE COC(=O)c1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 725428350 UDDPAPUTMKNAPL-UHFFFAOYSA-N 509.584 2.866 50 10 KFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nscc1B(O)O 2268639305 NMKGSOQZALHIBE-PXAQALGRSA-N 507.421 2.954 50 10 KFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 1999495403 XGIVFTHLBYLIGJ-UHFFFAOYSA-N 527.482 2.795 50 10 KFGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/Nc1nnc(SCC(=O)NNC(=O)C2CCC2)[nH]1 253560730 BEGHFGIICSSCAA-CVKSISIWSA-N 536.666 2.775 50 10 KFGE Nn1c(SCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nnc1-c1ccccc1O 1084096866 KTMJFJNQBWZZII-UHFFFAOYSA-N 542.213 2.838 50 10 KFGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314476316 MQRFBBJWKXKHIT-UHFFFAOYSA-N 503.584 2.769 50 10 KFGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1I 13977161 MCUAAOYDDFHMEX-UHFFFAOYSA-N 503.749 2.968 50 10 KFGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OC 1084304064 INAXLZBXNFKVHW-UHFFFAOYSA-N 518.570 2.920 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](OC(=O)CBr)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 1848675460 HQEHABLFHCPQHP-QDTBNOCASA-N 525.436 2.844 50 10 KFGE O=C(NNC(=S)NC(=O)c1ccccc1I)c1ccc(NC(=O)C2CC2)cc1 12501598 BTNNOJWGVJZIKL-UHFFFAOYSA-N 508.341 2.589 50 10 KFGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)c(C)c1 100049327 MBBLTZNTCVFSOH-UHFFFAOYSA-N 566.659 2.523 50 10 KFGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCC(=O)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1 100050059 GPFCAGVIXAZNJY-UHFFFAOYSA-N 538.605 2.556 50 10 KFGE O=C(NNC(=O)C1CCC(C(=O)NNC(=O)c2ccccc2I)CC1)c1ccccc1I 150392425 XBFNWZZHLDLZJY-UHFFFAOYSA-N 660.250 2.924 50 10 KFGE COc1ccc(-c2csc(CCN3C[C@H](C(=O)N4CCC[C@@H](C(=O)NNc5ccccn5)C4)CC3=O)n2)cc1 1872962142 QICZZOULLIBUMF-NHCUHLMSSA-N 548.669 2.987 50 10 KFGE O[C@@H](Cc1nc(CCl)cs1)Cn1cnc(I)c1I 2084026477 PJKVULIMCNBLHE-ZETCQYMHSA-N 509.538 2.891 50 10 KFGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325216990 JPRLSATXGKGTSE-UHFFFAOYSA-N 521.939 2.736 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1I 100076883 LAZXZRDFCMSXSC-UHFFFAOYSA-N 581.173 2.854 50 10 KFGE CC(=O)O[C@@H]1[C@H](CI)O[C@H](Oc2ccc(Cl)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 504057363 JYQSZRQLYLAOEK-PNKHAZJDSA-N 526.707 2.674 50 10 KFGE biogenic N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cc(-c3ccc(Cl)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 1866635301 MLESUVVGIGKRCO-WIYYLYMNSA-N 560.057 2.866 50 10 KFGE CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCCN4CCOCC4)c(OCC)c3)[C@H]2C1 662444 XZWYBEIJACNHEQ-IGKIAQTJSA-N 516.646 2.932 50 10 KFGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 14660697 YXORVCIAZBUAQO-UHFFFAOYSA-N 516.801 2.842 50 10 KFGE CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCCN4CCOCC4)c(OCC)c3)[C@@H]2C1 105565711 JNGUHFCCOAKBHN-ZEQKJWHPSA-N 546.628 2.678 50 10 KFGE O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)NN=Cc1cccc(Br)c1 2304519 WZJSXCOGJUNTTL-UHFFFAOYSA-N 544.269 2.668 50 10 KFGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657835 QFPRXQCUPOXWRC-UHFFFAOYSA-N 511.926 2.846 50 10 KFGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)c1OC(=O)c1ccccc1 254405285 ZJZFPVTZPYJKRS-QGZVFWFLSA-N 559.587 2.599 50 10 KFGE COc1ccc(OCc2ccc(C=NNc3nc(S[C@@H](C)C(=O)NNC(=O)C4CCC4)n[nH]3)o2)cc1 1084088480 XHUBOEJBIKCKGS-AWEZNQCLSA-N 513.580 2.859 50 10 KFGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822887 VKBUPJVTZRYGDZ-OVVQPSECSA-N 518.412 2.668 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2C(=O)O)cc1 254383218 DWJBHHFYNMKTMA-UHFFFAOYSA-N 522.583 2.727 50 10 KFGE CCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H](C=C(C=O)C[C@]3(O)C(=O)C(C)=C[C@@H]32)[C@@H]2C(C)(C)[C@@]12OC(=O)CCC 256371633 BSSVCYJMQUYSRI-FVNPBDFCSA-N 502.604 2.839 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC 1084636969 QKNWWGZVUQMTCK-UHFFFAOYSA-N 528.543 2.966 50 10 KFGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2227920775 NWUUFVYQTDQKPK-UHFFFAOYSA-N 555.536 2.880 50 10 KFGE OB(O)c1ccnc(Nc2cc(Br)c(I)c(Br)c2)c1F 2240310801 SGTKQKGUPVCANV-UHFFFAOYSA-N 515.711 2.774 50 10 KFGE CCCN1C(=O)C(=NNC(=O)CC(=O)NN=C2C(=O)N(CCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720561 QRFOWDAWVXYVEQ-UHFFFAOYSA-N 502.575 2.548 50 10 KFGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)C(=O)O)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 205368143 IYLRDJQQJKOWFD-BXKMTCNYSA-N 517.538 2.731 50 10 KFGE COc1ccc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)cc1CSc1nc2ccccc2o1 254440905 MJITUDRPLYOWLF-UHFFFAOYSA-N 505.520 2.747 50 10 KFGE CCOC(=O)CN1C(=O)/C(=N\NC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 102035246 RJGIWEJZNHGKQY-TZHAAIHCSA-N 556.575 2.905 50 10 KFGE COc1cc(/C=N/NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=O)ccc1OC(=O)/C=C1/SC(=O)NC1=O 102886858 HCQYIOFFCNYVIL-DIVZUXMYSA-N 598.597 2.632 50 10 KFGE COc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 725395923 CUWZGGXFWBKTRQ-UHFFFAOYSA-N 527.599 2.802 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2cccc(OC)c2O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1083901372 VIKCKJOCZSZPNA-UHFFFAOYSA-N 529.571 2.772 50 10 KFGE CS(=O)(=O)CC[C@@H](C(=O)NN(Cc1ccccc1)Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1923917656 FILZPELLFFMNHL-DEOSSOPVSA-N 505.596 2.820 50 10 KFGE O=C(COc1ccccc1Cl)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccccc2Cl)CC1 100103716 ZPEDFKODYGJCGI-UHFFFAOYSA-N 537.400 2.552 50 10 KFGE CN(C[C@]1(Oc2ncc(Br)cc2B(O)O)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2286406072 UYJUXYQEUDWUME-XMMPIXPASA-N 534.260 2.804 50 10 KFGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(OCCc2ccccc2)cc1 13630269 WRYXAEXQOBYOGU-FQEVSTJZSA-N 506.584 2.585 50 10 KFGE O=C(NNC(=O)c1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1)c1ccc(NC(=O)C2CC2)cc1 100057692 PACIBQXNSPBJFK-UHFFFAOYSA-N 568.590 2.533 50 10 KFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNS(=O)(=O)c2ccc(C)cc2)CCC3)cc1 1772747344 ASTRXDARDCSHIH-UHFFFAOYSA-N 510.572 2.999 50 10 KFGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C)cc1 2297486609 FRYMTZNJAQYSSS-UHFFFAOYSA-N 508.556 2.839 50 10 KFGE CN(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2nc3ccccc3s2)cc1 254487934 VRBJHIDOSUWVKM-UHFFFAOYSA-N 520.604 2.964 50 10 KFGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1OC 1084226701 HQOMWLLWKUMCBA-UHFFFAOYSA-N 546.624 2.641 50 10 KFGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 100102602 SZQOOSOHFOURRD-UHFFFAOYSA-N 552.632 2.658 50 10 KFGE Cc1cc(C=NNC(=O)c2cccnc2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 254844130 ABDGCNJQGDOPQC-UHFFFAOYSA-N 536.658 2.874 50 10 KFGE O=C(CCN1C(=O)/C(=C/c2ccc(N(CCBr)CCBr)cc2)SC1=S)ON(CCO)CCO 1081168687 HPNGXAQKODDFMV-SDXDJHTJSA-N 625.405 2.619 50 10 KFGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc(OC)c1OC 100079720 RMTNUBUYRIKHKV-UHFFFAOYSA-N 577.251 2.952 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747861 SDVWLJABLMUCKV-UHFFFAOYSA-N 500.309 2.884 50 10 KFGE NNC(=O)[C@@H]1C[C@H]1COc1c(I)cc(I)cc1I 2028054050 XLHOMZNGAIYSRK-CAHLUQPWSA-N 583.933 2.505 50 10 KFGE Cc1c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282599613 TWIDKXOHWNROFC-UHFFFAOYSA-N 500.496 2.664 50 10 KFGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13630168 FHGLXBDKIBIILL-CYBMUJFWSA-N 513.403 2.816 50 10 KFGE COc1c(C=NNC(=O)c2cc(CO)on2)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 254735993 CDEVGFWPOIJBOA-HNNXBMFYSA-N 526.477 2.552 50 10 KFGE CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1866592915 OIGCAPVSCLYOOI-QFIPXVFZSA-N 515.661 2.733 50 10 KFGE O=C(CCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl)NCc1ccccc1 100087188 FOYXIGHWGRIHMO-UHFFFAOYSA-N 527.828 2.600 50 10 KFGE O=C(COc1ccc(Br)cc1)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccc(Br)cc2)CC1 150392057 PWMALTKRRBCVAM-UHFFFAOYSA-N 626.302 2.771 50 10 KFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2284980995 GOVCJOUEIFOCNC-HHHXNRCGSA-N 500.404 2.979 50 10 KFGE CC(=O)O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083818447 VGYXHRLXTGSRIS-MYIRVZICSA-N 586.710 2.646 50 10 KFGE ICCOCCn1cnc(I)c1I 1893382147 JYTBMWKXFUGXNZ-UHFFFAOYSA-N 517.874 2.544 50 10 KFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1 2314793579 UUADSSRLAIBQQX-UHFFFAOYSA-N 504.495 2.860 50 10 KFGE CC1(C)[C@H](COC(=O)CCSSCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CC=[N+]1[O-] 39935821 SQDWGYYOGJCTFX-CLWJZODNSA-N 532.754 2.523 50 10 KFGE in-vitro Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745131 RKWNLGNCXHFPPP-UHFFFAOYSA-N 520.458 2.950 50 10 KFGE O=C(CN1C(=O)C(=NNC(=O)C(=O)Nc2cccc(C(=O)O)c2)c2cc(Br)ccc21)Nc1ccccc1 2297708550 SYYFRWBMGFBDCV-UHFFFAOYSA-N 564.352 2.592 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCCN(CCBr)C1 2364201482 GWCMZZZSLXVSNR-KRWDZBQOSA-N 500.459 2.622 50 10 KFGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CNC(=O)C1CCCCC1 13985252 BECSFLZSTHXSNT-UHFFFAOYSA-N 505.207 2.743 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)cc1 1083998493 YZIPRIXGOLBLHM-UHFFFAOYSA-N 566.680 2.982 50 10 KFGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1cccc([N+](=O)[O-])c1 1084527189 BCTABBSDRZTZTQ-UHFFFAOYSA-N 514.491 2.851 50 10 KFGE O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNc1nc2ccccc2c2nc(-c3ccccc3)nn12 20286993 OVLJOPNUUIAKQM-UHFFFAOYSA-N 521.585 2.912 50 10 KFGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 100053179 WOOIWLUYLWLMEF-BKHCZYBLSA-N 520.458 2.561 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CC[C@H](CBr)CO1 2364197938 QRZCRNBHLZWNCI-IAGOWNOFSA-N 501.443 2.953 50 10 KFGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cccc(OCCc2ccccc2)c1 13630299 YTLSJZAASSIRCF-FQEVSTJZSA-N 506.584 2.585 50 10 KFGE O=C(O)c1cccc(NC(=O)[C@@H]2C[C@H](SS[C@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)CN2)c1 138732731 OUYXUDFSSQPGIH-YRPNKDGESA-N 530.628 2.503 50 10 KFGE COc1ccc(C(C)=NNC(=O)c2nc[nH]c2C(=O)NN=C(C)c2ccc(OC)cc2OC)c(OC)c1 252643801 ZWZFOIXZMKCGRO-UHFFFAOYSA-N 508.535 2.752 50 10 KFGE O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1 150421134 JWSQKSZQMZGIGI-UHFFFAOYSA-N 620.254 2.892 50 10 KFGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cc(-c3ccc(Cl)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 1866635298 MLESUVVGIGKRCO-GHTZIAJQSA-N 560.057 2.866 50 10 KFGE CN([C@H](CCBr)C(F)(F)F)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2122013106 YINIJTBCBJPZPD-CZUORRHYSA-N 503.312 2.988 50 10 KFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1Br 14662110 PJLSYURIQASOAW-UHFFFAOYSA-N 516.801 2.842 50 10 KFGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(Br)c(OC)c(OC)c2)S(C)(=O)=O)cc1 1084067071 UHVUGHGFPNKRJV-CYBMUJFWSA-N 514.398 2.780 50 10 KFGE COc1cc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc(OC)c1OC 100080766 LFJUGBJYSWBZQO-UHFFFAOYSA-N 577.251 2.952 50 10 KFGE COc1ccc(CCNC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC 216779897 UBYKVAHRQAZDPX-VLGSPTGOSA-N 535.022 2.556 50 10 KFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745988 NCSBWJJHMBTZDL-UHFFFAOYSA-N 505.487 2.807 50 10 KFGE Nn1c(NN=C(Cc2ccccc2)Cc2ccccc2)nnc1SCC(=O)NNC(=O)c1ccc(F)cc1 104461576 WLTUXPHKOBAAEX-UHFFFAOYSA-N 532.605 2.938 50 10 KFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1cc(Br)ccc1O 263627078 MMHZXJLZEMHAFD-UHFFFAOYSA-N 527.408 2.968 50 10 KFGE CN1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)c2)CC1 1866592698 IVDXTSRSPLSMSL-AREMUKBSSA-N 579.704 2.881 50 10 KFGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 2314475957 GHNSYRJCNPEBJH-QHCPKHFHSA-N 567.693 2.780 50 10 KFGE CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCCN4CCOCC4)c(OCC)c3)[C@@H]2C1 43766806 XZWYBEIJACNHEQ-SHQCIBLASA-N 516.646 2.932 50 10 KFGE CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 72130448 OTHVURBITOMQHQ-UNHDOIQYSA-N 721.025 2.551 50 10 KFGE in-vitro O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=O)N/N=C/c1ccccc1OC(=O)/C=C1\SC(=O)NC1=O 97981101 JZZZEKOEQVCNQE-BUANEPLZSA-N 568.571 2.624 50 10 KFGE C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)C[C@](C)(O)CC(=O)O)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)CC[C@@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 2080448797 VACNMKGQGOMANA-CNALPBNZSA-N 941.118 2.940 50 10 KFGE COC(=O)[C@@H]1CCCN1C(=O)C1=C[C@H](NC(=O)c2ccccc2Br)[C@H](OC(=O)NCCCl)[C@@H](OC(=O)NCCCl)C1 1616172997 UZNLXSOKNHFUMM-TUFLPTIASA-N 678.364 2.709 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747888 VTBGFDLGKZTELE-UHFFFAOYSA-N 534.485 2.879 50 10 KFGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)N1CCC(Br)CC1 2084898657 PSBMROAJVPLKSH-UHFFFAOYSA-N 543.525 2.878 50 10 KFGE Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)COc3cc(C)cc(C)c3)cc2)c1 100096411 HWCOPDFOUSGVJY-UHFFFAOYSA-N 518.570 2.600 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084338703 VHBVMEFYRCBVPR-UHFFFAOYSA-N 506.353 2.548 50 10 KFGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCC(=O)N1CCCCC1 256028328 FSZVONWWGMKAKN-UHFFFAOYSA-N 543.469 2.525 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772752176 WWJHIOIWSJEVFP-UHFFFAOYSA-N 529.506 2.729 50 10 KFGE C=CCn1c(CCc2ccc(I)cc2)nnc1SCC(=O)NNC(=O)C1CCC1 253569875 MWVIBTCCRGQNBT-UHFFFAOYSA-N 525.416 2.894 50 10 KFGE CCOc1c(I)cc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OC 854404 CHGYFMILYYWLEU-YSURURNPSA-N 561.340 2.831 50 10 KFGE Cc1c(N(CC(=O)NN=Cc2ccccc2O)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 254304879 CZGYBJPMSVTNDH-UHFFFAOYSA-N 519.583 2.536 50 10 KFGE COC(=O)COc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OC 1084326052 VUBFKDCUOAGNIB-QGZVFWFLSA-N 526.327 2.816 50 10 KFGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@H]2CCCNC2=O)cc1I 59151551 IZDKBENPECAHCO-BIXBROTJSA-N 502.312 2.718 50 10 KFGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)N3CCOCC3)cc2)c2ccccc2F)cc1 1084542608 ZFRWTNMTDUMLTH-UHFFFAOYSA-N 568.627 2.717 50 10 KFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2C)cc1Br 14662161 CSBHXOFOKJQRBT-UHFFFAOYSA-N 510.410 2.806 50 10 KFGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1ccccc1 100077573 JDDBSQUFZVFOFJ-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1I 100078786 CWHPGIUPNUCDAE-UHFFFAOYSA-N 554.410 2.971 50 10 KFGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217225416 OWCXQBPMQJIECP-PFONDFGASA-N 504.952 2.606 50 10 KFGE CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(OCc2ccccc2F)c(OC)c1 254302916 GOJTXKYUGJWOST-UHFFFAOYSA-N 551.583 2.955 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084193367 QWQAERHMJRIONI-UHFFFAOYSA-N 610.689 2.595 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccncc3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642510 KOOLFLATVPVRQD-POOJNZKBSA-N 523.630 2.510 50 10 KFGE NC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 1083986754 BVVDNTMUMGHDFY-UHFFFAOYSA-N 500.964 2.550 50 10 KFGE CCOc1cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc(OCC)c1OCC 1860771169 MDMASPXUWXXXIP-UHFFFAOYSA-N 514.604 2.994 50 10 KFGE O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=O)NN=Cc1ccccc1OC(=O)C=C1SC(=O)NC1=O 2041467628 JZZZEKOEQVCNQE-UHFFFAOYSA-N 568.571 2.624 50 10 KFGE CN1CCC(CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2380708618 QFKOIESUCKAWRI-UHFFFAOYSA-N 500.459 2.622 50 10 KFGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 58987724 PIFISDIBSMEQOK-WSDLNYQXSA-N 500.497 2.507 50 10 KFGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)CC1 1084050501 UUZWVKCAMBQAMI-QFIPXVFZSA-N 543.624 2.750 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@]2(F)CCC[C@]2(CBr)C1 2176639935 KMZGEQKJIVEZOC-SLFFLAALSA-N 505.381 2.930 50 10 KFGE Cc1cc(N2CCOCC2)nc(OP(=O)(Oc2nc(C)cc(N3CCOCC3)n2)N(CCCl)CCCl)n1 107723624 WOPSVGVIKZKXKX-UHFFFAOYSA-N 576.422 2.902 50 10 KFGE COc1c2c(c(OC)c3c(=O)cc(C/C(=N\NC(=O)C[n+]4ccccc4)C(=O)Nc4cccc(Cl)c4)oc13)OCO2 198714756 UVTLQJLHWMGHDM-UHFFFAOYSA-O 579.973 2.833 50 10 KFGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCN3CCCC3=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 215668894 VEPULSDQYCFBMC-VGPXQJFJSA-N 508.612 2.647 50 10 KFGE biogenic C/C(=N/NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(OCC(=O)N2CCCC2)cc1 33497002 NIHYASVCGIENIP-UALAHMJOSA-N 526.659 2.937 50 10 KFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCBr)C1CCOCC1 2381030585 IKNKBWYHIFUTFX-UHFFFAOYSA-N 501.443 2.905 50 10 KFGE COc1cc(C=NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 254737522 ROLVITUEQPGNEQ-UHFFFAOYSA-N 521.526 2.820 50 10 KFGE CO[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1083817692 YEJYGCSQLCXHSL-APNLASKRSA-N 558.700 2.729 50 10 KFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 1084138818 CILQKDMGLVUQOG-UHFFFAOYSA-N 511.556 2.947 50 10 KFGE Nn1c(N/N=C/c2c(O)ccc3ccccc23)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 20924140 SHULRHKSUBPTHF-OPEKNORGSA-N 510.967 2.503 50 10 KFGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 58988711 QISAJPGKILXODI-FSJBWODESA-N 513.540 2.564 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 254402470 KIYXVPNYVWUDJY-AREMUKBSSA-N 639.687 2.931 50 10 KFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 1084073610 BRFABGRXUYNUAR-UHFFFAOYSA-N 586.579 2.509 50 10 KFGE CS(=O)(=O)CC[C@H](C(=O)NN(Cc1ccccc1)Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1923917657 FILZPELLFFMNHL-XMMPIXPASA-N 505.596 2.820 50 10 KFGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100078946 FMGLUPVLSCLUID-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE O=C(CSc1nnc(N/N=C/c2cc(Br)c(O)c(Br)c2)[nH]1)NNC(=O)C1CCC1 253572765 QOQRTBJFHNCUPV-KPSZGOFPSA-N 547.233 2.521 50 10 KFGE COc1ccccc1/C=C\C(=O)NCC(=O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254852095 TVCKTSHZNWGBRE-GJFZFPDJSA-N 512.522 2.621 50 10 KFGE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(SC#N)cc2)CC1 1858626013 UCTJOHWIOQRASC-UHFFFAOYSA-N 515.617 2.934 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3ccccc3O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 254908160 OSYNIELXSXHLKV-OMSONKMWSA-N 538.641 2.821 50 10 KFGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 59246782 JJVYDJKURZCVPY-FSJBWODESA-N 507.341 2.727 50 10 KFGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 100082345 BTKVWTSNUPPMOF-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(=O)nc(N)[nH]c43)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 195761117 CWVNMKRKFJYCCC-LAVAIGHBSA-N 525.755 2.917 50 10 KFGE COc1cc(C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)ccc1O 254288317 LYPHLZMFSLKUPV-NAEXWARISA-N 568.667 2.829 50 10 KFGE C[C@H](C(=O)NNS(=O)(=O)c1ccc(Br)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860770606 PJLWPRIAKPMPLY-LLVKDONJSA-N 511.423 2.670 50 10 KFGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)N2CCC(Br)CC2)C1 1999493850 HQQNEXWTVVODHD-UHFFFAOYSA-N 518.474 2.575 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)C[C@@H]1CCOC1 2364215831 XHCQECVFGJZZLB-IRXDYDNUSA-N 501.443 2.953 50 10 KFGE CCOC(=O)CN1C(=O)C(=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2ccccc21 2293972372 IIKJJPPZRMJVDV-UHFFFAOYSA-N 539.592 2.954 50 10 KFGE CCOc1cc(C=NNC(=O)CSc2nnc(CCCc3ccc(OC)cc3)o2)ccc1OCC(N)=O 8451653 ATEMCEWLYRTAND-UHFFFAOYSA-N 527.603 2.759 50 10 KFGE COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 48572403 FWRQSYZDPBVTSY-WKULSOCRSA-N 505.527 2.950 50 10 KFGE OB(O)c1ccnc(Oc2c(I)cc(Cl)cc2I)c1F 2240336696 RAZJPDXVICGXSM-UHFFFAOYSA-N 519.244 2.555 50 10 KFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2284985386 GOVCJOUEIFOCNC-HHHXNRCGSA-N 500.404 2.979 50 10 KFGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 2296723156 JPTICZPHYMEFFI-QGZVFWFLSA-N 512.975 2.967 50 10 KFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 2314795770 ORJINCYDAZQTFQ-XMMPIXPASA-N 517.538 2.687 50 10 KFGE Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)NN=Cc1ccc(OCc2ccccc2F)cc1 254816103 LOBUIWCWUBOECS-UHFFFAOYSA-N 519.541 2.700 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(OC)c2O)cc1OC 725428301 FPRFJVDALVAALM-UHFFFAOYSA-N 527.599 2.802 50 10 KFGE O=C(CCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1)NCc1ccccc1 14040761 RPDMPZHMAFTQIA-UHFFFAOYSA-N 520.611 2.877 50 10 KFGE COc1cc(C=NNC(=O)Cc2n[nH]/c(=N\C(=O)c3ccccc3C)s2)ccc1OCCBr 254868298 BZOKMHQYCTVCEL-UHFFFAOYSA-N 532.420 2.996 50 10 KFGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc(OC)c1OC(=O)c1ccccc1 254836809 OMQSKQVMFHXKGO-UHFFFAOYSA-N 554.523 2.900 50 10 KFGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 101013798 MYICVNXUBYIEDS-WTYPRNOXSA-N 609.730 2.547 50 10 KFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC(F)(F)C(F)(F)CBr 2336534133 LXJDBPPICRXHKF-CQSZACIVSA-N 507.275 2.596 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)C[C@H]1CCOC1 2364215829 XHCQECVFGJZZLB-IAGOWNOFSA-N 501.443 2.953 50 10 KFGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccccc1I 100112920 XNVNUVJGXQVQJI-UHFFFAOYSA-N 539.395 2.883 50 10 KFGE COc1cccc(C=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 1084453017 PXKJMMGLQPEOMX-UHFFFAOYSA-N 500.497 2.507 50 10 KFGE NNC(=O)c1cc(COc2c(I)cc(I)cc2I)on1 154936888 HFNMPYKFPZUAEE-UHFFFAOYSA-N 610.915 2.671 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 1084574415 PMZMIZUUNBPSPJ-HXUWFJFHSA-N 565.652 2.672 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CBr)C[C@@H]1C(F)(F)F 2192563746 YTVRVQFFDLCYOD-JQFCIGGWSA-N 515.323 2.894 50 10 KFGE Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)O[C@@]3(C3OCCO3)[C@H](Br)[C@H]2Br)c(C)c1 1082829529 SQVQYRXZWZMDPR-DNQUJSQBSA-N 515.198 2.850 50 10 KFGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1083925367 AYDSCCNIUGOTFC-UHFFFAOYSA-N 514.991 2.858 50 10 KFGE O=C(NN=Cc1ccccc1C(F)(F)F)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1084434245 LEQYBQRIKUSPLB-HSZRJFAPSA-N 580.610 2.920 50 10 KFGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 110557201 HWTULTKEVRYIHV-QFVBLGFASA-N 565.677 2.534 50 10 KFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1nscc1B(O)O 2269561200 LOZQGJGSWZDAPX-QMHKHESXSA-N 507.421 2.954 50 10 KFGE COc1c(O)ccc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1[N+](=O)[O-] 254384940 AKTFXCBEENLAFE-AHZNCQJJSA-N 504.455 2.959 50 10 KFGE C[C@H]1CN([C@H](C)C(=O)O)[C@H](C)CN([C@H](C)C(=O)O)[C@H](C)CN([C@H](C)C(=O)NCCSSc2ccccn2)[C@H](C)CN1[C@H](C)C(=O)O 255965702 BVEXZTXAUQXVNC-DSCXKPSLSA-N 684.926 2.522 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(=O)O)Cc2ccccc2)cc1OC 725408283 QKSUKKQFRPCKPB-UHFFFAOYSA-N 511.556 2.743 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1C#N 1083952902 UFUMJOHFBURGJL-UHFFFAOYSA-N 534.354 2.533 50 10 KFGE C[C@H](C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)n1cnc2sc3c(c2c1=O)CCCC3 1865851408 AZKDTXWPVGUUPS-HUUCEWRRSA-N 503.625 2.692 50 10 KFGE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)c1cc(OC)c(OC)c(OC)c1 2313682874 MRIDPSUMTAEBQN-UHFFFAOYSA-N 539.570 2.796 50 10 KFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOC)c(Br)c1 14660694 YUJISCPKPCXFSF-UHFFFAOYSA-N 510.410 2.751 50 10 KFGE CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 72130450 OTHVURBITOMQHQ-SAGWHXFDSA-N 721.025 2.551 50 10 KFGE in-vitro COC(=O)[C@@H](I)CNC(=O)c1cc(Br)ccc1I 234583877 UUKBTHCNWFBMHC-VIFPVBQESA-N 537.917 2.760 50 10 KFGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1)c1ccccc1 254871777 JVPIAXRCCRPZCA-LJQANCHMSA-N 526.590 2.998 50 10 KFGE COCCCNC(=O)Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c2cc(Br)ccc21 59087162 UMIHVUZCYIZVAM-NXIIHZOPSA-N 503.397 2.759 50 10 KFGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2350357574 SFFLPJBITPBIML-YCRPNKLZSA-N 509.691 2.961 50 10 KFGE CC(C)[C@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCCSSc2ccccn2)cc1 306147403 YMBCOKQFJNGLRV-IRLDBZIGSA-N 591.760 2.603 50 10 KFGE COc1ccccc1C=NNC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 1084549762 BYBWQNIKWLHPAF-UHFFFAOYSA-N 500.497 2.507 50 10 KFGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 100239148 YACMWCZPGXIYSZ-WLVOPDRHSA-N 502.980 2.718 50 10 KFGE CN1CCN(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)CC1 100922028 CRSHXXXHWOABFB-WKPIXPDZSA-N 502.089 2.951 50 10 KFGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c3ccccc3C2=O)cc1C 103004608 WVGZQELPWLEVAJ-NLRVBDNBSA-N 560.632 2.787 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 725438256 IFJVMERSDDZBCS-NDEPHWFRSA-N 608.717 2.753 50 10 KFGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 214203746 ULLBGXSOIKCTRU-JLPGSUDCSA-N 543.605 2.782 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1I 13981204 IYXLJYZVDUZSOE-UHFFFAOYSA-N 513.357 2.631 50 10 KFGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(N/N=C/c2cc(Br)c(O)c(Br)c2)[nH]1 104440465 RAGLHIPTCBNPRO-KPSZGOFPSA-N 549.249 2.767 50 10 KFGE NNC(=O)c1ccc(Cn2cnc(I)c2I)c(Br)c1 381767602 ZSYYSUYFEIXPBA-UHFFFAOYSA-N 546.932 2.507 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1I 2313862572 WBHKAPHWHFLDRE-UHFFFAOYSA-N 526.312 2.557 50 10 KFGE CCOc1cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1O 1084014824 ZREMINTVGPGNSZ-UHFFFAOYSA-N 524.315 2.646 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1I 100078848 CLHONUJJGAGEGH-UHFFFAOYSA-N 538.367 2.598 50 10 KFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)c(Br)c1 100126284 VCVRUQMBRCKVDH-UHFFFAOYSA-N 536.448 2.978 50 10 KFGE CC1(C)O[C@@H]2O[C@H](C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 252427017 RGNOEWUAAKJJTL-NUABRCLCSA-N 519.378 2.696 50 10 KFGE CCOC(=O)C1=c2sc(=Cc3ccc(OCC)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(OCC)cc1 254834881 VFJACBJTPDSEBO-HSZRJFAPSA-N 517.607 2.698 50 10 KFGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630000 KDIJFVLNKXINOH-JTQLQIEISA-N 505.152 2.924 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 100080635 DWACSIUMNSCZBO-UHFFFAOYSA-N 532.170 2.834 50 10 KFGE CN1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)c2)CC1 1866592699 IVDXTSRSPLSMSL-SANMLTNESA-N 579.704 2.881 50 10 KFGE CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866648016 OHTTWESFJQZIST-NHCUHLMSSA-N 535.669 2.758 50 10 KFGE Cc1cc(Br)ccc1N1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872962659 VQJZXEIOIPENOY-IRXDYDNUSA-N 500.397 2.887 50 10 KFGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)N2CCC(Br)CC2)C1 2259380046 CFDZAMRYXBCKOF-UHFFFAOYSA-N 541.509 2.537 50 10 KFGE COCCOc1ccc(C=C(C#N)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2331122871 WWYWQAIPXCKNAP-UHFFFAOYSA-N 505.980 2.932 50 10 KFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 9826274 XZBDVWRBIHONRR-UHFFFAOYSA-N 510.410 2.887 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NNC(=O)COc1ccccc1[N+](=O)[O-] 14025838 ZXVZZBYNBKSYND-UHFFFAOYSA-N 503.103 2.725 50 10 KFGE O=C(OC(c1ccccc1)c1ccccc1)[C@H](N1C(=O)[C@@H]2N=C(c3ccccc3)O[C@H]21)[C@](O)(CO)CCl 504116219 SUVJZPSWADVSLN-CEDAICPMSA-N 520.969 2.664 50 10 KFGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 1083989127 OLMAXTUMPXUIDJ-UHFFFAOYSA-N 524.315 2.561 50 10 KFGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 14668664 LELBWKKNDYGVGQ-UHFFFAOYSA-N 521.437 2.968 50 10 KFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCOC)cc1 100203441 INHOVXKVFSISPW-UHFFFAOYSA-N 568.446 2.756 50 10 KFGE COCCCNC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 725388680 VUIYTJCSPMJKRK-UHFFFAOYSA-N 547.033 2.927 50 10 KFGE CCOc1cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1OC 1084148832 RVPHAEOHLDQNCP-UHFFFAOYSA-N 538.342 2.949 50 10 KFGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc(OC)c1OC 100088195 AVNLWTMGDFJJGO-UHFFFAOYSA-N 532.800 2.843 50 10 KFGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cn(C)nc1C 103929018 AUWVAHQSMRBJIK-AUEPDCJTSA-N 550.430 2.965 50 10 KFGE Nn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 164214590 MYYZQNXRFLVYHP-AERZKKPOSA-N 616.208 2.948 50 10 KFGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)CC1 1084050500 UUZWVKCAMBQAMI-JOCHJYFZSA-N 543.624 2.750 50 10 KFGE CC(C)(NC(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866903793 XOKMXMXQFCORCU-QFIPXVFZSA-N 541.699 2.716 50 10 KFGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866582570 XCGQHSFWFLFEGX-GCJKJVERSA-N 515.613 2.676 50 10 KFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1I 9826105 KGZVVJCHNBYSRQ-UHFFFAOYSA-N 513.357 2.656 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 254354518 VKRYKLMDSRJARN-UHFFFAOYSA-N 527.555 2.787 50 10 KFGE CCCOc1ccc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 1083892718 ZGZZJJWMCONUBN-SANMLTNESA-N 570.693 2.690 50 10 KFGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084003599 IGSLOMCKDYXCQP-UHFFFAOYSA-N 541.582 2.845 50 10 KFGE COC(=O)[C@@H](I)CNC(=O)Cc1cc(Br)cc(Br)c1 2277930755 FLNQRLQYEKPAGV-JTQLQIEISA-N 504.944 2.847 50 10 KFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 14655721 VIHINRCDPBUEBO-UHFFFAOYSA-N 507.410 2.580 50 10 KFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(I)c1 100234935 UGNCTCNOIVYBSW-UHFFFAOYSA-N 543.383 2.664 50 10 KFGE C/C(=C(\CCOP(=O)(O)O)SS/C(CCOP(=O)(O)O)=C(/C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N 150340520 HKQKYZRQBYBWSZ-BMJUYKDLSA-N 722.680 2.508 50 10 KFGE in-man CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 1084226771 OWUCMCQNARIIKF-UHFFFAOYSA-N 551.625 2.742 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCCN(CCBr)C1 2364201483 GWCMZZZSLXVSNR-QGZVFWFLSA-N 500.459 2.622 50 10 KFGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(C)cc1 59246805 VSPWVJRYTGUUHF-ZMOGYAJESA-N 523.371 2.970 50 10 KFGE COc1ccc(Br)cc1C=NNc1nc(SCC(=O)NNC(=O)c2ccc(F)cc2)n[nH]1 1083936803 WVJGHUFMHRMRSE-UHFFFAOYSA-N 522.360 2.714 50 10 KFGE O=C(NN=Cc1cccc(I)c1)c1nonc1C(=O)NN=Cc1cccc(I)c1 1084225118 JDBQLPPIORAJBH-UHFFFAOYSA-N 614.141 2.807 50 10 KFGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296721755 PDRHRZUZRSWWIY-LJQANCHMSA-N 506.584 2.995 50 10 KFGE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2350361848 UXVKSKNWBUWKPC-BTYIYWSLSA-N 509.691 2.961 50 10 KFGE CCOc1cc(C=NNC(=O)c2ccc(CSc3nncn3C)cc2)ccc1OCC(=O)N1CCOCC1 254352067 RFCLLQKHVGGNPP-UHFFFAOYSA-N 538.630 2.508 50 10 KFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c1CSC1=NCCS1 254806438 SASCTTCSEIREFS-UHFFFAOYSA-N 535.615 2.911 50 10 KFGE CC(=O)O[C@@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@]1(O)CCl 2060321374 OEVPPNBQSYOUCV-FTHHMCCBSA-N 577.067 2.626 50 10 KFGE CCOc1ccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2946022 RXLQVLRGQUYOBB-RYKMCWCGSA-N 518.570 2.747 50 10 KFGE biogenic Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccc(Br)cc3)nc12 102850362 QRWHUSWDSARGPZ-HKBKRHGFSA-N 543.399 2.768 50 10 KFGE O=C(Cc1nnc(NC(=O)c2ccco2)s1)NN=Cc1ccccc1OS(=O)(=O)c1ccccc1 254617660 SOWBTXBDPCFVHB-UHFFFAOYSA-N 511.541 2.844 50 10 KFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1Br 100201873 ABQALEUPGUMVHN-UHFFFAOYSA-N 561.252 2.951 50 10 KFGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100282268 JWNYKPDFNVVCFI-UHFFFAOYSA-N 545.209 2.713 50 10 KFGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 214205199 XBOUXXOQUVSFEB-JLPGSUDCSA-N 543.605 2.782 50 10 KFGE CCOc1c(I)cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1OC 254856813 UCUAXILRXGZBFM-UHFFFAOYSA-N 506.304 2.502 50 10 KFGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ccc1OS(C)(=O)=O 102471122 YNJAWEPBIIXXAI-ZROIWOOFSA-N 521.598 2.983 50 10 KFGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(C)cc1 254462608 ITWLXPTUEPAKCN-UHFFFAOYSA-N 544.564 2.784 50 10 KFGE CN(C[C@@]1(Oc2ncc(Br)cc2B(O)O)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2286406071 UYJUXYQEUDWUME-DEOSSOPVSA-N 534.260 2.804 50 10 KFGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C(C)=C(C#N)C1=O 2314620597 SDNBQZGJPWHVAG-UHFFFAOYSA-N 617.684 2.962 50 10 KFGE CS(=O)(=O)c1ccc([S@](=O)CC(=O)Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3ccccc23)c([N+](=O)[O-])c1 100989098 NQVOVSZAWPUGCN-UMSFTDKQSA-N 523.457 2.681 50 10 KFGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C(C)=C(C#N)C1=O 2314620934 WLVLQWWQRQUOKZ-UHFFFAOYSA-N 573.631 2.945 50 10 KFGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1 100081225 ZPCUEHGTALHXJX-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 1083908940 KZRYYHWUALSTIY-GDLZYMKVSA-N 635.743 2.703 50 10 KFGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 33571581 PDRHRZUZRSWWIY-RBAUTDOXSA-N 506.584 2.995 50 10 KFGE COc1ccc(-c2ccc(C=NNC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)c([N+](=O)[O-])c1 254658142 MFKCESGVMUCPDZ-UHFFFAOYSA-N 502.447 2.996 50 10 KFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1nscc1B(O)O 2268678210 FWNZQHDVVYYKHE-MWTRTKDXSA-N 507.421 2.906 50 10 KFGE COc1cc(C(=O)NN=C[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)ccc1O 254288313 LYPHLZMFSLKUPV-JDTXOPSHSA-N 568.667 2.829 50 10 KFGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1865845152 LSZFNJXQUMSYLP-UHFFFAOYSA-N 507.528 2.788 50 10 KFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1 100080741 NDXUMWWPKQOGHF-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE Cc1ccc2c(c1)C(=NNC(=O)CC(=O)NN=C1C(=O)N(C(C)C)c3ccc(C)cc31)C(=O)N2C(C)C 1772720207 INQSYXXUCYIISD-UHFFFAOYSA-N 502.575 2.544 50 10 KFGE COc1cc(C)c(C)cc1S(=O)(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770406 HGEOUNLFUITMQY-DOMZBBRYSA-N 504.634 2.779 50 10 KFGE CC(C)(CCl)C(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCCN2CCOCC2)c1 103126129 YCCCJFHORVGMRI-UHFFFAOYSA-N 582.142 2.966 50 10 KFGE O=C(NN=Cc1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)NNCc1ccc(-c2cccc(C(=O)O)c2)o1 254303514 JDIQCDUUDIATLH-UHFFFAOYSA-N 516.466 2.874 50 10 KFGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254379114 RPOWFEUIQXHFJU-IULLEQQLSA-N 502.439 2.973 50 10 KFGE O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=O)NN=Cc1ccccc1OC(=O)/C=C1\SC(=O)NC1=O 254349209 JZZZEKOEQVCNQE-LPQVLLHSSA-N 568.571 2.624 50 10 KFGE COc1cc(C=NNC(=O)c2ccc(CSc3nncn3C)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 254558113 FRIJBJGMGOITIO-KDURUIRLSA-N 552.657 2.895 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084373221 WHQORHIHGKNOGU-UHFFFAOYSA-N 628.620 2.702 50 10 KFGE COC(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc(Br)cc2Br)c2ccccc21 101644719 QLGDDIIMULMOFA-NKFKGCMQSA-N 525.153 2.631 50 10 KFGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2cc(-c3ccc(Cl)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 1866635299 MLESUVVGIGKRCO-NQIIRXRSSA-N 560.057 2.866 50 10 KFGE COC(=O)[C@H](I)CNC(=O)c1ccc(Br)cc1I 2086148105 WSYSGJKJLUSPBA-SECBINFHSA-N 537.917 2.760 50 10 KFGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)C(=O)O)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 205368156 IYLRDJQQJKOWFD-MZNJEOGPSA-N 517.538 2.731 50 10 KFGE Cc1c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282559039 GSYKGXCYRDMIKS-UHFFFAOYSA-N 500.496 2.664 50 10 KFGE N#CC1=C(N)n2c(s/c(=C/c3cc(Br)ccc3O)c2=O)=C(C#N)[C@H]1c1cc(Br)ccc1O 101660017 JEVZVNWWWPIYHH-FUVWNOQGSA-N 572.238 2.797 50 10 KFGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1083914190 JQCZXHLZRJFTAR-UHFFFAOYSA-N 527.530 2.729 50 10 KFGE COc1ccc(C(C)=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1OC 1084499432 XUYVIIXRDXTVEG-UHFFFAOYSA-N 503.972 2.865 50 10 KFGE C[C@]1(CBr)COCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364189851 GASOKDPWPQBXCE-OAQYLSRUSA-N 501.443 2.906 50 10 KFGE COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)c(Br)o2)cc(OC)c1OC 3085132 IJAFHGWDHRZTNP-QPSGOUHRSA-N 519.146 2.711 50 10 KFGE CCOc1ccc(C=NNC(=O)c2nonc2NCCCl)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1082754826 JWVYQUUDDHFOHY-MOPGFXCFSA-N 540.024 2.664 50 10 KFGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccccc1I 100076940 TXLAETGBMNPBOM-UHFFFAOYSA-N 534.173 2.768 50 10 KFGE COc1cccc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c1O 263626438 GNSVBPHOOYJSPZ-UHFFFAOYSA-N 549.609 2.544 50 10 KFGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 110557195 HWTULTKEVRYIHV-JDCXBEBJSA-N 565.677 2.534 50 10 KFGE C[C@H]1[C@H](OC(=O)CCC(=O)NCCCN2CCCC2=O)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 215668851 VEPULSDQYCFBMC-AWKKMPIQSA-N 508.612 2.647 50 10 KFGE biogenic CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1083818443 VGYXHRLXTGSRIS-JYJZCUDQSA-N 586.710 2.646 50 10 KFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772746287 AGOLMIFDRFEIRC-UHFFFAOYSA-N 519.514 2.979 50 10 KFGE COc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC)cc2)C=3C(=O)Nc2ccccc2)cc1 254838954 QISHHXPBHFKMOJ-RUZDIDTESA-N 536.613 2.993 50 10 KFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCOCC1 1083998334 NBYZMYNYUCEJAJ-UHFFFAOYSA-N 597.709 2.830 50 10 KFGE O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(OC(F)(F)F)cc1B(O)O 2268606849 BYPVRUQEMJJJTA-UHFFFAOYSA-N 500.238 2.742 50 10 KFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 101483895 FEQMQCQFBMRFLI-UHFFFAOYSA-N 530.523 2.824 50 10 KFGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 206490094 UJKBSVKIZDHYHV-WJDWOHSUSA-N 506.471 2.627 50 10 KFGE CC(=O)O[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 210202718 VGYXHRLXTGSRIS-MJOVFQHFSA-N 586.710 2.646 50 10 KFGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 254382343 USPMPZRAFDLFEI-UHFFFAOYSA-N 551.552 2.829 50 10 KFGE COc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)ccc1[N+](=O)[O-] 1858961025 IJKZNAGQJQYKOG-UHFFFAOYSA-N 530.471 2.919 50 10 KFGE COc1cccc(/C=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 58987868 PXKJMMGLQPEOMX-WSDLNYQXSA-N 500.497 2.507 50 10 KFGE COc1cc(C=NNC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=O)ccc1OC(=O)/C=C1\SC(=O)NC1=O 254398149 HCQYIOFFCNYVIL-JYWQNMHKSA-N 598.597 2.632 50 10 KFGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(CCO)c1C 1084602733 DODOTYUNBLRZOD-UHFFFAOYSA-N 503.032 2.778 50 10 KFGE O=S(=O)(CCC(CCl)CCl)Nc1c(I)ncnc1I 2121033064 LLHLUWZZJYVYSP-UHFFFAOYSA-N 549.987 2.911 50 10 KFGE COc1cccc(N=c2[nH]c3c(c(O)nc(=O)n3C)n2CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c1 2328618067 IVZSMZNJQVIICX-UHFFFAOYSA-N 553.579 2.739 50 10 KFGE CS(=O)(=O)SC[C@@H](N)C(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 106050664 VKFXFTOISDVWKL-LJQANCHMSA-N 528.564 2.927 50 10 KFGE CCOC(=O)N1CCN(C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)CC1 215668363 FKHWPOYGRNRGOB-JNHDAPRHSA-N 524.611 2.819 50 10 KFGE biogenic CCCCCC[C@@H]1[C@H]([C@@H](O)C(=O)[C@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(OC)OC3=O 2080456002 SYAROURHSVAQRS-UFOFPOESSA-N 504.576 2.526 50 10 KFGE COc1cc(/C=N/NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(C(=O)O)cc1 59246857 IVNWWRVSFXKMMX-WYMPLXKRSA-N 506.353 2.517 50 10 KFGE N#C[C@H](C(=O)NNC(=O)c1ccc(I)cc1)C(=O)c1ccc(I)cc1 105056439 FWPMOKCJEQNQFN-AWEZNQCLSA-N 559.101 2.679 50 10 KFGE O=C(NNC(=O)c1cccc(N2C(=O)c3ccc(C(=O)NNC(=O)c4ccccc4)cc3C2=O)c1)c1ccccc1 105669857 FLYWCOAHJFCREQ-UHFFFAOYSA-N 547.527 2.637 50 10 KFGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 252622860 OEHOVGCEEHUMOW-HXUWFJFHSA-N 538.626 2.868 50 10 KFGE CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1866594277 SFFKXRKIBTWCAO-QFIPXVFZSA-N 547.728 2.686 50 10 KFGE O=C(NOCCCNc1ncc(Br)cc1B(O)O)OCC1c2ccccc2-c2ccccc21 2212611330 ZHBLUGFTFBKMRB-UHFFFAOYSA-N 512.169 2.796 50 10 KFGE N=C1O[C@@H](c2ccc3c(c2)OCO3)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)C1=NNC(=O)c1cccc([N+](=O)[O-])c1 254696605 WDDKBPGBZKXTJH-QFIPXVFZSA-N 559.451 2.852 50 10 KFGE COc1ccc(Br)cc1C=NNc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1 1084184892 CZSRIMNAFDQZLB-UHFFFAOYSA-N 504.370 2.575 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc3c(c2)OCO3)cc1 1084268940 ZVDAWFTWGVFVHW-UHFFFAOYSA-N 522.583 2.757 50 10 KFGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254379115 RPOWFEUIQXHFJU-NRSMNCIKSA-N 502.439 2.973 50 10 KFGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1865851609 FGZUUGLRQRSLFF-UHFFFAOYSA-N 503.569 2.808 50 10 KFGE CC1(C)[C@H](COC(=O)CCSSCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CC=[N+]1[O-] 22051715 SQDWGYYOGJCTFX-BOSXTWCSSA-N 532.754 2.523 50 10 KFGE in-vitro COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C/NNC(=O)CC#N)c3ccccc3C2=O)c1 102931059 PQGFLYLYHFKHDM-LTGZKZEYSA-N 531.550 2.558 50 10 KFGE O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=O)NN=Cc1ccc(OC(=O)/C=C2\SC(=O)NC2=O)cc1 254596724 XIBOQXNTMRZFFZ-LPQVLLHSSA-N 568.571 2.624 50 10 KFGE O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084430120 RYCZLVPGCSOEGS-UHFFFAOYSA-N 568.568 2.685 50 10 KFGE COC(=O)[C@@H]1CCCN1C(=O)C1=C[C@H](NC(=O)c2ccccc2Br)[C@@H](OC(=O)NCCCl)[C@@H](OC(=O)NCCCl)C1 1616173007 UZNLXSOKNHFUMM-XSDIEEQYSA-N 678.364 2.709 50 10 KFGE O=C(COc1ccc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 254884138 MOCCEECOVDESLE-QHCPKHFHSA-N 595.634 2.614 50 10 KFGE Nn1c(SCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nnc1-c1ccncc1 1084322984 NQEQRRQOUGICEQ-UHFFFAOYSA-N 527.202 2.527 50 10 KFGE CCOc1ccc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OCC 1084563903 SBZWQKNSTPRORE-VWLOTQADSA-N 600.719 2.698 50 10 KFGE COC(=O)c1cc(B(O)O)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887520181 GKAJWJSYBZEIKP-UHFFFAOYSA-N 500.360 2.533 50 10 KFGE CCN(C[C@@](C)(CI)OC1CCN(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C 2270096661 YXEQQJIRRWVJFH-QGZVFWFLSA-N 504.431 2.878 50 10 KFGE COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(Cc4ccccc4)C(=O)C(C#N)=C3C)cc2)nc(OC)n1 2297459250 XRNKMPQQOFGXBZ-UHFFFAOYSA-N 560.592 2.999 50 10 KFGE COc1cc(C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@@]23O)ccc1O 2297642528 LYPHLZMFSLKUPV-YQTDOLPPSA-N 568.667 2.829 50 10 KFGE COc1cccc(C=NNC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)c1OC(=O)c1ccccc1 254484412 OJUNFLUWVQKVNK-UHFFFAOYSA-N 524.497 2.891 50 10 KFGE COc1ccc(C=NNC(=O)C(=NNc2ccccc2)C(=O)NN=Cc2ccc(OC)c(OC)c2)cc1OC 254768971 FVICAKPOLSBVTN-UHFFFAOYSA-N 532.557 2.790 50 10 KFGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083817694 YEJYGCSQLCXHSL-IXSXPGEMSA-N 558.700 2.729 50 10 KFGE Cn1cc(I)c(CC(CBr)(CBr)[C@@H]2CCS(=O)(=O)C2)n1 2367625116 PTXDTVZXXHFTET-SECBINFHSA-N 540.059 2.778 50 10 KFGE Cc1cc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)ccc1Br 1872963205 ZSOVWHBNMGPSTL-IRXDYDNUSA-N 500.397 2.887 50 10 KFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623554 LTKBNLJHUJJMAQ-OAHLLOKOSA-N 519.421 2.532 50 10 KFGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 214283648 KWTCFYUQGMVGLZ-ITYLOYPMSA-N 587.658 2.799 50 10 KFGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100080897 WYVPTTFUFPUENC-UHFFFAOYSA-N 547.225 2.700 50 10 KFGE COc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1 100088333 YGRKUBXUDMVTRG-UHFFFAOYSA-N 547.225 2.700 50 10 KFGE O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(I)c(O)c(I)c1 100460470 PDRFSHQWDZAOGN-CGOBSMCZSA-N 565.105 2.892 50 10 KFGE COc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 254850281 VQHATQAFVGIBFA-QMUQRUDQSA-N 504.455 2.959 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1083962369 XWJXDIRUOFVKBD-UHFFFAOYSA-N 553.553 2.860 50 10 KFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2sc(B(O)O)cc2C1 2268605270 GBBHXMAXMMINCP-VWLOTQADSA-N 504.417 2.876 50 10 KFGE CS(=O)(=O)c1ccc([S@@](=O)CC(=O)Oc2c([N+](=O)[O-])cc([N+](=O)[O-])c3ccccc23)c([N+](=O)[O-])c1 100989095 NQVOVSZAWPUGCN-UUWRZZSWSA-N 523.457 2.681 50 10 KFGE O=C(CSCC(=O)Nc1ccccc1)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 104997234 GBULJPNTXKNZGI-GDWJVWIDSA-N 541.589 2.522 50 10 KFGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1084197463 ZRIAAWBFZHTFEQ-UHFFFAOYSA-N 514.524 2.897 50 10 KFGE O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cc(I)cc(I)c1O 49803707 CTNSPJSYKWQDLD-FMCGGJTJSA-N 604.230 2.869 50 10 KFGE Cn1cc(Cl)c(C(=O)NN=Cc2cc(I)cc(I)c2O)n1 252636572 XKKQPJPKALJRFX-UHFFFAOYSA-N 530.491 2.752 50 10 KFGE O=C(COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 1084512685 FGECUTGMJKGENC-HHHXNRCGSA-N 578.691 2.744 50 10 KFGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(Br)c1OC 1772760266 OCVWXUFAHGIFDV-LLVKDONJSA-N 520.409 2.908 50 10 KFGE O=C(NN=Cc1cc(Br)ccc1O)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1084365492 TWVAPIABORZVJV-UHFFFAOYSA-N 544.284 2.881 50 10 KFGE CCC(CBr)(CBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1936749207 QPLJSFZCMQNLPB-UHFFFAOYSA-N 510.248 2.921 50 10 KFGE COc1ccccc1C=CC=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 2295987690 RUPLGWMDVNTEJE-UHFFFAOYSA-N 521.437 2.579 50 10 KFGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 2296846318 AODDGBHKVHDXKG-RTBURBONSA-N 505.600 2.990 50 10 KFGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1 59246367 SMZPIKXIAYQULZ-YDZHTSKRSA-N 509.344 2.661 50 10 KFGE CC1(C)O[C@@H]2O[C@H](C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 27473590 RGNOEWUAAKJJTL-NSOKGPEJSA-N 519.378 2.696 50 10 KFGE O=C(CCC(=O)N/N=C/c1ccc(/C=N/NC(=O)CCC(=O)NCc2ccccc2)cc1)NCc1ccccc1 100049163 YBOPMKITOWEXOT-WXGDAXOSSA-N 540.624 2.780 50 10 KFGE CCOC(=O)N1CCN(C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)CC1 223808840 FKHWPOYGRNRGOB-FCPCJSLGSA-N 524.611 2.819 50 10 KFGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1865851717 HDYCDNSUKPTBPI-UHFFFAOYSA-N 503.569 2.808 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2Cl)cc1I 100083015 QSZKBUFDJRDMGU-UHFFFAOYSA-N 519.748 2.668 50 10 KFGE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=C(C#N)C(=O)NCc3ccco3)CC2)cc1 2297455998 GVCXHSBSVCLJCS-UHFFFAOYSA-N 510.554 2.846 50 10 KFGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101493345 JHWHRHKOZQBQMO-UHFFFAOYSA-N 556.923 2.754 50 10 KFGE CCOC(=O)CN1C(=O)C(=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2ccccc21 254758837 IIKJJPPZRMJVDV-GTPVNSMRSA-N 539.592 2.954 50 10 KFGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084321720 GBULJPNTXKNZGI-UHFFFAOYSA-N 541.589 2.522 50 10 KFGE Cc1ccc2c(c1)C(=NNC(=O)CCC(=O)NN=C1C(=O)N(C(C)C)c3ccc(C)cc31)C(=O)N2C(C)C 1772720379 MGTYKTKGPIWDOY-UHFFFAOYSA-N 516.602 2.934 50 10 KFGE C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)c1nnc(CBr)s1 1877567238 JOCYEHASDWICGN-NSHDSACASA-N 501.428 2.736 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1ccc(O)cc1 12571367 PFDVZDHSASPJBC-UHFFFAOYSA-N 503.172 2.632 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(O)cc3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530965 NJKACLJQQJZZGC-ZXVZCTMYSA-N 538.641 2.821 50 10 KFGE biogenic CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1083980077 QISAJPGKILXODI-UHFFFAOYSA-N 513.540 2.564 50 10 KFGE O=C(NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-])c1ccc(Br)cc1 101067553 CMHNNSSBFBWWQP-UHFFFAOYSA-N 517.256 2.569 50 10 KFGE O=C(N/N=C/c1cccc(I)c1)c1nonc1C(=O)N/N=C/c1cccc(I)c1 164614585 JDBQLPPIORAJBH-VGENTYGXSA-N 614.141 2.807 50 10 KFGE O=C(COc1ccc(Cl)cc1)NN=C1C(=O)N(CN2CCOCC2)c2ccc(Br)cc21 254901494 HXDXYIRLLLKRJD-UHFFFAOYSA-N 507.772 2.638 50 10 KFGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(CCO)c1C 1084004938 ZTOFHJGUMNZNIY-UHFFFAOYSA-N 594.483 2.729 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084601424 WSFBWYHYIAXEFJ-UHFFFAOYSA-N 542.526 2.656 50 10 KFGE COCCNS(=O)(=O)c1cccc(/C(C)=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1 2059028446 OLYIEMBOXWDBDO-LFVJCYFKSA-N 536.657 2.628 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1ccccc1O 12571334 UMOAYINGBNUARA-UHFFFAOYSA-N 503.172 2.632 50 10 KFGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])c1ccccc1Br 101492994 ZYZMCBVJUVVZMF-UHFFFAOYSA-N 556.377 2.955 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(OCCCBr)CC1 2207519926 RGCMJRYGVAMNEK-FQEVSTJZSA-N 505.406 2.607 50 10 KFGE Cc1ccccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100079132 CLKOFGPLBLRVND-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 1083908941 KZRYYHWUALSTIY-LJAQVGFWSA-N 635.743 2.703 50 10 KFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2284981451 HJZDQSZMIJVOAM-MHZLTWQESA-N 500.404 2.979 50 10 KFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)c1 10276043 XTJWFGLHHLPAFB-UHFFFAOYSA-N 513.357 2.656 50 10 KFGE O=C(O)c1cccc(NC(=O)[C@@H]2C[C@H](SS[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)CN2)c1 77302169 OUYXUDFSSQPGIH-MUGJNUQGSA-N 530.628 2.503 50 10 KFGE in-vitro O=C(CNc1ccc2c(c1)OCO2)NN=Cc1cc(I)c(O)c(I)c1 725381626 PDRFSHQWDZAOGN-UHFFFAOYSA-N 565.105 2.892 50 10 KFGE N#Cc1ccccc1COc1ccc(C=NNC(=O)[C@@H]2CCCNC2=O)cc1I 1084386944 IZDKBENPECAHCO-QGZVFWFLSA-N 502.312 2.718 50 10 KFGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc(OC)c1OC 100102999 NHHQBVQGVMBOQH-UHFFFAOYSA-N 532.800 2.843 50 10 KFGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 103782726 YACMWCZPGXIYSZ-XMEDJCRESA-N 502.980 2.718 50 10 KFGE O=C(NOCCCNS(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl)OCC1c2ccccc2-c2ccccc21 2282740109 UQPNPRORTKUULB-UHFFFAOYSA-N 565.240 2.812 50 10 KFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)c1 10276818 DFJVYOMHWCYLRG-UHFFFAOYSA-N 510.410 2.887 50 10 KFGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)CCCC(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1C 100273087 YXCDOQJGWBABDX-SFTDATJTSA-N 512.607 2.620 50 10 KFGE CCN(CC)c1ccc(C=NNC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)c(O)c1 254527364 WXXHAFIIJXOSHB-UHFFFAOYSA-N 504.385 2.639 50 10 KFGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 256025119 MYICVNXUBYIEDS-FBXYBJQMSA-N 609.730 2.547 50 10 KFGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629998 KDIJFVLNKXINOH-SNVBAGLBSA-N 505.152 2.924 50 10 KFGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1Cl 14662985 XCJRPKYVDKYOTD-UHFFFAOYSA-N 516.801 2.842 50 10 KFGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314617725 XBOUXXOQUVSFEB-UHFFFAOYSA-N 543.605 2.782 50 10 KFGE O=C(CCC(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1)NCc1ccccc1 14041098 DFRCCWHVUVTSOG-UHFFFAOYSA-N 520.611 2.877 50 10 KFGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 214431875 WNLAOAIMUUSINA-BRPDVVIDSA-N 659.721 2.732 50 10 KFGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(N/N=C/c2cc(Br)c(O)c(Br)c2)[nH]1 253563571 FOHYEBXLULRRBX-QOZVTFESSA-N 549.249 2.765 50 10 KFGE COc1ccccc1OCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858956952 ADMSBUXOYYZCBI-UHFFFAOYSA-N 515.500 2.776 50 10 KFGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)cc1 34990384 CNJHBXWWIMJQPS-ZPHPHTNESA-N 501.543 2.982 50 10 KFGE CCOC(=O)CN1C(=O)/C(=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 100567076 JIJKLQQMEJRWRH-XWPNWSLBSA-N 540.532 2.616 50 10 KFGE O=C(N/N=C/CCC/C=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105636877 IDHXMDXMOQEKCA-MEGCLRNVSA-N 516.383 2.621 50 10 KFGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616591317 YEJYGCSQLCXHSL-KLMIGJKJSA-N 558.700 2.729 50 10 KFGE COC(=O)c1ccc(C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)cc1P(c1ccccc1)c1ccccc1 196603360 CNGFGHYINHACJX-YFKWQYMLSA-N 764.882 2.853 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1084109231 YDKHATVMWJURJW-UHFFFAOYSA-N 507.341 2.727 50 10 KFGE CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866648018 OHTTWESFJQZIST-SFTDATJTSA-N 535.669 2.758 50 10 KFGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(OCC(=O)N(C)C)cc1 2297635219 NMSDMAITWNKJPW-UHFFFAOYSA-N 501.590 2.565 50 10 KFGE COc1cc2c(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c(C(=O)O)n(C)c2cc1OC 2328796752 GQHUABQXJUVTKG-HNNXBMFYSA-N 508.597 2.990 50 10 KFGE Cc1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(C)cc2)cc1 100046070 BKPSAOZASLPRJO-UHFFFAOYSA-N 512.607 2.787 50 10 KFGE BrC[C@@H]1CO[C@@H]2CN(c3ncc(I)cc3Br)C[C@H]2O1 2265030152 OLVMVUYXASGRFR-FBIMIBRVSA-N 503.960 2.816 50 10 KFGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(I)c1O 6600361 PJZVGQUOYVWZMR-GHXNOFRVSA-N 513.313 2.589 50 10 KFGE O=C(OC(c1ccccc1)c1ccccc1)[C@H](N1C(=O)[C@@H]2N=C(c3ccccc3)O[C@@H]21)[C@](O)(CO)CCl 504116229 SUVJZPSWADVSLN-ZVMBZZGVSA-N 520.969 2.664 50 10 KFGE CC(=NNC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1ccccc1O 1084536916 GKCKUYYMVYLAJN-UHFFFAOYSA-N 533.610 2.926 50 10 KFGE Cc1nc(I)c(I)n1CCOCCI 1893385899 IAEMFZWXXOHCIF-UHFFFAOYSA-N 531.901 2.852 50 10 KFGE O=C(NCCS(=O)(=O)CCBr)c1cc(I)ccc1Br 2335756506 FTWICKITKBIRQA-UHFFFAOYSA-N 525.000 2.593 50 10 KFGE O=C(NCCS(=O)(=O)CCBr)c1ccc(Br)cc1I 2335761404 IHMMNKGLNZNOHY-UHFFFAOYSA-N 525.000 2.593 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1I 100112975 DGWABXUSTQHTJU-UHFFFAOYSA-N 569.421 2.892 50 10 KFGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 110556834 CCILGHZKOZCVOR-GOOXQAOHSA-N 579.704 2.924 50 10 KFGE COCCCNC(=O)C(=O)NN=Cc1cc(I)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 252591174 AYKMLDWXSOYEFA-UHFFFAOYSA-N 636.365 2.939 50 10 KFGE COc1cc(C=NNC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254382635 HQKLGVHCMJLYHU-UHFFFAOYSA-N 539.516 2.959 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)c(OC)c1 1083943331 XIZRCTBADCENIO-UHFFFAOYSA-N 583.623 2.794 50 10 KFGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 1084106783 QXUVGJOEQVPJDQ-UHFFFAOYSA-N 529.546 2.960 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 1892232159 YOSVMHLUVZZHMU-SFHVURJKSA-N 509.422 2.963 50 10 KFGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)COc4ccccc4)c(C)c32)cc1 40815317 YNBKEQLFOXIDIY-LHLOQNFPSA-N 510.572 2.755 50 10 KFGE O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)c1ccccc1I 100081104 QNQYFDMCXZMPGH-UHFFFAOYSA-N 534.173 2.768 50 10 KFGE CC(=O)Nc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1858957843 USJQSAPYTITVKX-UHFFFAOYSA-N 512.500 2.961 50 10 KFGE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)n1 2282053479 IEIHGVNMCYTHAZ-UHFFFAOYSA-N 500.496 2.838 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC(F)(F)C(F)(F)CI 2314945052 XDGGHXVFKBIEAL-UHFFFAOYSA-N 536.285 2.688 50 10 KFGE C=CCNC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C 12600356 PUNJTUWSPJWZNI-HAVVHWLPSA-N 523.659 2.924 50 10 KFGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccc(C)cc3)cc2OC)cc1 254743983 IZRKZNNQYONYIM-UHFFFAOYSA-N 511.556 2.660 50 10 KFGE CC(=O)O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616590962 VGYXHRLXTGSRIS-HWVUQVAQSA-N 586.710 2.646 50 10 KFGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 110557660 GHNSYRJCNPEBJH-JDCXBEBJSA-N 567.693 2.780 50 10 KFGE C[C@@H]1CN([C@H](C)C(=O)O)[C@H](C)CN([C@H](C)C(=O)NCCSSc2ccccn2)[C@H](C)CN([C@H](C)C(=O)O)[C@H](C)CN1[C@H](C)C(=O)O 255965703 BVEXZTXAUQXVNC-DSUYJHQVSA-N 684.926 2.522 50 10 KFGE C/C(=C(\C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCC(C(N)=O)(N2CCCCC2)CC1 2392325 OUDJGFCXDZUDJZ-OBGWFSINSA-N 538.596 2.714 50 10 KFGE CC(=O)O[C@@H]1[C@@H](OC(C)=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616590958 VGYXHRLXTGSRIS-DKHHQXCASA-N 586.710 2.646 50 10 KFGE N#C[C@H](O)Cc1cc(I)cc(I)c1I 1951520696 VXMDGQHEMHKMGO-SSDOTTSWSA-N 524.865 2.927 50 10 KFGE CC(=O)O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616590959 VGYXHRLXTGSRIS-FUIJPYTFSA-N 586.710 2.646 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084264559 YKVBMCCZFKMHKT-UHFFFAOYSA-N 538.311 2.849 50 10 KFGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCCOc2ccccc2)cc1 100313958 MIIJFRCPPXHHPR-QFIPXVFZSA-N 532.622 2.829 50 10 KFGE Nn1c(SCCCC(=O)N/N=C/c2cc(Cl)ccc2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104768577 JHUYSBBRPNRTBZ-LSHDLFTRSA-N 520.915 2.857 50 10 KFGE CCCc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 1615168287 HYHMWEKPMRVSDV-NXNFSMPISA-N 534.343 2.973 50 10 KFGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 2314739097 ZSNFEKQWBCXDFT-UHFFFAOYSA-N 506.471 2.628 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1I 100078868 OWOUZLSYFRAEQL-UHFFFAOYSA-N 519.748 2.668 50 10 KFGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c(OC)c1 104769291 NJIVGECQIMREPN-ZMOGYAJESA-N 544.550 2.905 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747810 RLWFRHADUZIEIT-UHFFFAOYSA-N 511.336 2.686 50 10 KFGE COc1cc(/C=N/NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc2c(c1)OCO2 59246855 DJHRMRGZSYWSAX-BHGWPJFGSA-N 506.353 2.548 50 10 KFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 100136809 VVXDRBDPOQWEDM-UHFFFAOYSA-N 524.393 2.739 50 10 KFGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 100228332 LCTGEGWMRZSLDD-UHFFFAOYSA-N 517.199 2.935 50 10 KFGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 214431990 SDNBQZGJPWHVAG-IMRQLAEWSA-N 617.684 2.962 50 10 KFGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 1866214203 WWYWQAIPXCKNAP-NBVRZTHBSA-N 505.980 2.932 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc1I 100091476 ZAGUMBLHHPPWIF-UHFFFAOYSA-N 533.775 2.976 50 10 KFGE Cc1cnc(Oc2c(I)cc(Cl)cc2I)cc1B(O)O 2240311366 XUFVQSZPUCJVAJ-UHFFFAOYSA-N 515.281 2.725 50 10 KFGE BrC[C@@H]1CO[C@H]2CN(c3ncc(I)cc3Br)C[C@H]2O1 2265030151 OLVMVUYXASGRFR-DVVUODLYSA-N 503.960 2.816 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40826189 YQTFWHMZJUEULC-NLRVBDNBSA-N 502.499 2.960 50 10 KFGE COc1cc(C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)ccc1O 118917244 LYPHLZMFSLKUPV-ZBIBNGBDSA-N 568.667 2.829 50 10 KFGE COc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC)cc2)C=3C(=O)Nc2ccccc2)cc1 254838955 QISHHXPBHFKMOJ-VWLOTQADSA-N 536.613 2.993 50 10 KFGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2cc(-c3ccc(Cl)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 1866635300 MLESUVVGIGKRCO-RXVVDRJESA-N 560.057 2.866 50 10 KFGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 101340961 XCQLMRDPCYZMLQ-OVVQPSECSA-N 615.668 2.716 50 10 KFGE CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)O[C@@]3(C3OCCO3)[C@@H](Br)[C@H]2Br)cc1 252427010 QXNVQAAAGNZOPA-FEDINTAWSA-N 531.197 2.632 50 10 KFGE CC(=O)O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616590960 VGYXHRLXTGSRIS-FYYQJAJYSA-N 586.710 2.646 50 10 KFGE CO[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083817696 YEJYGCSQLCXHSL-OBBCHVIHSA-N 558.700 2.729 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748024 XNVBQUSJTSFLGP-UHFFFAOYSA-N 534.485 2.879 50 10 KFGE COc1ccc(CCNC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC 2324718711 UBYKVAHRQAZDPX-UHFFFAOYSA-N 535.022 2.556 50 10 KFGE CCC1=C/C(=C/NNC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)C(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)=C1 38186870 RHIKFPIMXFUSAV-NKIOCVABSA-N 504.459 2.883 50 10 KFGE CCOc1cc(C=NNC(=O)c2c(CN3CCCC3)nnn2-c2nonc2N)ccc1OCc1cccc(F)c1 254707741 HHIFFVIYBGEXRB-UHFFFAOYSA-N 549.567 2.709 50 10 KFGE CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@@H](CI)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1F 101376867 AGEFGEMSKQQAQQ-DEGGIDQZSA-N 556.313 2.868 50 10 KFGE in-vitro COc1cc(/C=C(/C#N)C(N)=O)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 206490215 ZJAJSLNIMBSTPU-VBKFSLOCSA-N 506.471 2.758 50 10 KFGE CC(C)NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084211526 MXYKLTLFOOBMQN-UHFFFAOYSA-N 536.654 2.974 50 10 KFGE O=C(N[C@H]1C(F)(F)C12CC(NS(=O)(=O)N1CCC(Br)CC1)C2)OCc1ccccc1 2207130624 BTMZYKIXPBWUNV-UPTPFMHGSA-N 508.385 2.773 50 10 KFGE C[C@@H](Br)CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364213008 CPRGBTBGPYWDIG-QGZVFWFLSA-N 500.459 2.574 50 10 KFGE CC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866654066 CPVANDNDJALDJG-NFBKMPQASA-N 535.669 2.758 50 10 KFGE COC(=O)CN1C(=O)C(=NNC(=O)C(=Cc2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 2293972457 VYQUWECQUUMRNG-UHFFFAOYSA-N 542.548 2.515 50 10 KFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC)c(I)c2)cc1 12502983 YURASAVYSDHEPS-UHFFFAOYSA-N 513.357 2.577 50 10 KFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)ccc1Cl 13979794 GNLINHIICLCYSG-UHFFFAOYSA-N 503.749 2.968 50 10 KFGE C[C@H](Cn1cnc2c(N)ncnc21)OCP1(=O)OCC(C)(C)OC(=O)OC(=O)OC(C)(C)CO1 100342496 IXUWBXJGTPVGIX-GFCCVEGCSA-N 501.433 2.858 50 10 KFGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 1084452903 WOOIWLUYLWLMEF-UHFFFAOYSA-N 520.458 2.561 50 10 KFGE O=C(CNC(=O)c1ccccc1Br)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100053901 OALKTAAVFKFQOY-BYNJWEBRSA-N 535.354 2.975 50 10 KFGE CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)(C)OC(C)=O)[C@]2(O)CCl 219927980 LPWTVFWINSHGLS-YZZIRNTPSA-N 516.971 2.549 50 10 KFGE CCOc1ccc([C@@H](O)CCC(=O)NN=C[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1084284427 YACMWCZPGXIYSZ-MOPGFXCFSA-N 502.980 2.718 50 10 KFGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(Br)c1O 1772760256 JGFKWSYQZYDANB-SNVBAGLBSA-N 506.382 2.605 50 10 KFGE C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCN2CCCC2=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254607492 VEPULSDQYCFBMC-BTWFABGPSA-N 508.612 2.647 50 10 KFGE COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc(OC)c1OC 1952582 PKJCVVSRBDHCHL-HCGXMYGOSA-N 561.183 2.529 50 10 KFGE CC(C)c1ccc(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2ccc(C(C)C)cc2)cc1 100096428 ZJTDJGXLCYSWDJ-UHFFFAOYSA-N 512.607 2.856 50 10 KFGE O=C(NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-])c1ccccc1Br 101492561 USJCXUSHRJUQLG-UHFFFAOYSA-N 517.256 2.569 50 10 KFGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1OC 1084236241 SKDSZFFZYGWJFJ-UHFFFAOYSA-N 544.550 2.905 50 10 KFGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OCCc2ccccc2)c1 13623588 QGQHPUWADIIYGF-QHCPKHFHSA-N 516.623 2.992 50 10 KFGE COc1cc(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc(OC)c1OC 1860769748 GPVMKYYTRZOGJS-UHFFFAOYSA-N 508.556 2.920 50 10 KFGE CCOC(=O)N1CCN(C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@H]([C@H]2C)[C@]53OO4)CC1 215668507 FKHWPOYGRNRGOB-SYLBHRILSA-N 524.611 2.819 50 10 KFGE biogenic CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)cc1 254303582 LSKMYHPKNGLVOY-UHFFFAOYSA-N 505.593 2.722 50 10 KFGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325904350 XSDGARQHLDXMKF-KRWDZBQOSA-N 509.632 2.980 50 10 KFGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 12572585 WICFHORRGOJJBE-UHFFFAOYSA-N 514.347 2.721 50 10 KFGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 59246784 BGKOZQDVFAQYRV-FSJBWODESA-N 507.341 2.727 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)Cc2ccccc2)cc1OC 1083865904 MTHJJSYLGWKWCJ-UHFFFAOYSA-N 512.544 2.953 50 10 KFGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1Cl 1084023695 KMWGBYQARDUVJT-UHFFFAOYSA-N 507.012 2.648 50 10 KFGE COc1cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(OC)c1OC 1860772012 OFFYEUGZYIIGQP-STQMWFEESA-N 500.577 2.631 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CI)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2294275710 XBEHGCBIBCOAIO-YKXFJNMQSA-N 572.436 2.884 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCN(CCCBr)CC1 2366454794 RTNKPSSMIZGQIG-UHFFFAOYSA-N 500.459 2.575 50 10 KFGE COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 40890120 ZJAJSLNIMBSTPU-FOWTUZBSSA-N 506.471 2.758 50 10 KFGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 101013283 CCILGHZKOZCVOR-FOOJEKODSA-N 579.704 2.924 50 10 KFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC)c(I)c2)cc1 100136792 BCWUAFNZVBBMLT-UHFFFAOYSA-N 571.393 2.581 50 10 KFGE CCOC(=O)NC(=O)/C(C#N)=C\N1CCN(c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c(=O)c2Cl)CC1 102669001 OVRMFRZPKIXOOG-QXMHVHEDSA-N 560.320 2.755 50 10 KFGE CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](OC(=O)CC(C)(C)OC(C)=O)[C@@]2(O)CCl 2069386077 LPWTVFWINSHGLS-QBTGUUFSSA-N 516.971 2.549 50 10 KFGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cc(Br)ccc1O 1084085546 BLNDHHHFBVTZAY-UHFFFAOYSA-N 533.338 2.932 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)c(OC)c1 1084301961 VZGGOHOQDTUIMN-FQEVSTJZSA-N 568.652 2.876 50 10 KFGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 1866626030 ZZWOKOOOJNFJNG-IBGZPJMESA-N 509.009 2.573 50 10 KFGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)=C(C#N)C1=O 2314620956 XCQLMRDPCYZMLQ-UHFFFAOYSA-N 615.668 2.716 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1I 100081134 OIIUIWQZNSGEMR-UHFFFAOYSA-N 564.199 2.777 50 10 KFGE O=C(NN=Cc1ccc(Cl)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1084326946 VKPAVCILHIJICG-QHCPKHFHSA-N 547.058 2.554 50 10 KFGE Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc(S(N)(=O)=O)c1 1867237167 INFNMYKTZFDJFC-QFIPXVFZSA-N 510.597 2.901 50 10 KFGE O=C(O)CC/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)OCCO2 59365651 SCVLKFRXJKIFKL-QQTULTPQSA-N 501.561 2.631 50 10 KFGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCC(=O)N(CC)CC 256028505 QMUUJIDYGXSRLK-UHFFFAOYSA-N 545.485 2.771 50 10 KFGE COC(=O)[C@H](I)CNC(=O)c1ccc(I)c(Br)c1 721619806 MRBDLLVXPXMSIX-SECBINFHSA-N 537.917 2.760 50 10 KFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNS(=O)(=O)c2ccc(F)cc2)CCC3)cc1 1772751760 LSVXSXYSMZAVRH-UHFFFAOYSA-N 514.535 2.829 50 10 KFGE COc1ccc(CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 1858960479 FWZMAQZIKOFSDO-UHFFFAOYSA-N 529.527 2.948 50 10 KFGE CCOc1cc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC)c(OCC)c2)C=3C#N)ccc1OC 252671790 OGPSPRBWFWXIBX-RUZDIDTESA-N 530.606 2.676 50 10 KFGE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CI 256966675 SBWPMXHFJJCNJZ-VBFALVEFSA-N 560.400 2.882 50 10 KFGE COC(=O)[C@H](I)CNC(=O)Cc1cc(Br)cc(Br)c1 2277930760 FLNQRLQYEKPAGV-SNVBAGLBSA-N 504.944 2.847 50 10 KFGE CCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1 100050057 BNTXGSVVVGSLLO-UHFFFAOYSA-N 552.632 2.946 50 10 KFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 13977136 HMRYWJORTIBDIZ-UHFFFAOYSA-N 510.357 2.897 50 10 KFGE Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 254555560 YKCDCGHNSNXQGJ-UHFFFAOYSA-N 539.468 2.791 50 10 KFGE C/C(=N/OCC(=O)N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21)c1cccs1 1614466606 LHUOSFJZHJWCKS-CUSVLXGFSA-N 544.637 2.594 50 10 KFGE N#C/C(=C/c1cc(I)cc(I)c1O)c1n[nH]c(N)c1C#N 96936260 KBRSUQUKZDFYQL-XFSBKJJWSA-N 503.041 2.843 50 10 KFGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100199661 PNFXKRFYZSEANU-UHFFFAOYSA-N 561.252 2.951 50 10 KFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)cc1 2313616967 HOFQUSDCMBYRFF-UHFFFAOYSA-N 511.341 2.657 50 10 KFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1 14655727 XEVIEPAQMCVIDU-UHFFFAOYSA-N 512.382 2.823 50 10 KFGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2cc(Br)cc(Br)c2O)n1 1084079325 IMACATFUKAQQSP-MRVPVSSYSA-N 549.249 2.765 50 10 KFGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCN(CCO)CC1)[C@H]2Br 256019790 DXKPXGRHTNETSE-UVBJJODRSA-N 517.100 2.809 50 10 KFGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 1084001021 MKLZWDYCZZTALS-UHFFFAOYSA-N 580.663 2.669 50 10 KFGE COc1ccccc1N1CCN(c2ccc(NC(=O)C(C)(C)CCl)cc2S(=O)(=O)NCCN2CCOCC2)CC1 103175356 PPWHZSQROLXILF-UHFFFAOYSA-N 594.178 2.836 50 10 KFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1-c1cccc([N+](=O)[O-])c1 254924581 QHTYYLYQRPYICM-UHFFFAOYSA-N 530.417 2.740 50 10 KFGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OC[C@H]2CCCO2)c(Br)c1 13623302 XYIIKBACPNXQDT-RBUKOAKNSA-N 516.392 2.817 50 10 KFGE CO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083817697 YEJYGCSQLCXHSL-VNGQLYDISA-N 558.700 2.729 50 10 KFGE O=C(CCC(=O)NN=Cc1ccc(C=NNC(=O)CCC(=O)NCc2ccccc2)cc1)NCc1ccccc1 1084534271 YBOPMKITOWEXOT-UHFFFAOYSA-N 540.624 2.780 50 10 KFGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)c1 10294202 YOLYQIORXFVLBC-UHFFFAOYSA-N 500.758 2.604 50 10 KFGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 13997546 USYZXBOLUYWJNS-UHFFFAOYSA-N 502.431 2.881 50 10 KFGE CC(C)[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)N1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 685945274 VKBLZOKSOHWLHH-ATZAZFCXSA-N 724.724 2.713 50 10 KFGE COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OO[C@H](C)C[C@@H]4N1C(=O)[C@]2(C)CCCN2C(=O)[C@]1(O)[C@H]3O 101255680 TUFVTGLECNTCAB-XVKGBXNFSA-N 511.575 2.855 50 10 KFGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCC(=O)O 1083986787 NKGUUOCZXXJEED-INIZCTEOSA-N 512.300 2.727 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1083990425 GFACPFBRAKICTB-UHFFFAOYSA-N 507.341 2.727 50 10 KFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F 2254205032 QLBYTSJXHAYULB-VXGBXAGGSA-N 507.597 2.825 50 10 KFGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccc(Br)cc3)nc12 102850358 QRWHUSWDSARGPZ-JBXOJTMHSA-N 543.399 2.768 50 10 KFGE CCN1C(=O)C(=NNC(=O)CCCCCC(=O)NN=C2C(=O)N(CC)c3ccccc32)c2ccccc21 245267437 LTAQJCHXWARNLF-UHFFFAOYSA-N 502.575 2.711 50 10 KFGE Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)O[C@@]3(C3OCCO3)[C@@H](Br)[C@H]2Br)c(C)c1 1082829530 SQVQYRXZWZMDPR-FEDINTAWSA-N 515.198 2.850 50 10 KFGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)NN=Cc1cc2c(cc1Br)OCO2 252638887 YGQMDINHACJBLL-UHFFFAOYSA-N 533.320 2.883 50 10 KFGE CC(=O)O[C@@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@]1(O)CCl 2060321377 OEVPPNBQSYOUCV-PJFPHORSSA-N 577.067 2.626 50 10 KFGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 100314058 WBUDVCMCMCZRTN-INIZCTEOSA-N 533.448 2.922 50 10 KFGE C[C@H]1[C@H](OC(=O)CCC(=O)NCCCN2CCCC2=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 253624545 VEPULSDQYCFBMC-AXLWIVLRSA-N 508.612 2.647 50 10 KFGE CCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCc3ccccc32)cc1 254482544 PBJORMYCFCTUKH-UHFFFAOYSA-N 501.551 2.738 50 10 KFGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccc(C(=O)O)cc1 725399071 QLIDHCIFSKGKJJ-UHFFFAOYSA-N 513.503 2.641 50 10 KFGE COc1c(I)cc(I)cc1C=NNC(=O)Cn1nnc(-c2ccccc2)n1 1084013341 MRPWWONNTBMREN-UHFFFAOYSA-N 588.147 2.708 50 10 KFGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 254861629 BERUFKKUDVBCQA-UHFFFAOYSA-N 520.589 2.979 50 10 KFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1 1084086465 NLYNTXOTLDMYAF-UHFFFAOYSA-N 534.569 2.539 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 1084574414 PMZMIZUUNBPSPJ-FQEVSTJZSA-N 565.652 2.672 50 10 KFGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084588147 JFAYVEINHVHMCN-UHFFFAOYSA-N 568.368 2.959 50 10 KFGE C[C@H](C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)n1cnc2sc3c(c2c1=O)CCCC3 1865851406 AZKDTXWPVGUUPS-CABCVRRESA-N 503.625 2.692 50 10 KFGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1OC 104767516 QLXOSMYAKMLKKL-FSJBWODESA-N 530.523 2.515 50 10 KFGE O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccc(Br)cc21)c1ccco1 504259850 NOKRDKLOXOSPBX-VNLSVUOCSA-N 536.386 2.761 50 10 KFGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282842927 FOTKTYLSZWLKEO-UHFFFAOYSA-N 539.576 2.768 50 10 KFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1OC 13977375 VPCGQMIWVZJLOT-RMKNXTFCSA-N 508.394 2.889 50 10 KFGE CSc1sc(SC)c(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)c1/C=N/NC(=O)c1cc(O)c(O)c(O)c1 100379917 RNSFNUBWMVNICV-ZPNKGADNSA-N 564.623 2.953 50 10 KFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CBr)C[C@H]1C(F)(F)F 2357203209 YTVRVQFFDLCYOD-XYPHTWIQSA-N 515.323 2.894 50 10 KFGE CC(=O)O[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616590968 VGYXHRLXTGSRIS-WNJKUOTESA-N 586.710 2.646 50 10 KFGE O=C(COCC(=O)NN=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)NN=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 1084321006 NGELLEGIFWFTIL-UHFFFAOYSA-N 650.691 2.839 50 10 KFGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 1084347473 KJVHSJZEIZAWFR-UHFFFAOYSA-N 580.663 2.587 50 10 KFGE CC(C)[C@@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)N1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1615526640 VKBLZOKSOHWLHH-OOYKWLJTSA-N 724.724 2.713 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1I 100078737 FHGIBTGWMFVQNJ-UHFFFAOYSA-N 519.748 2.668 50 10 KFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 100136768 LTBXIZAISBIWDZ-UHFFFAOYSA-N 541.367 2.573 50 10 KFGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 100318782 LRTZFISCKCWMFH-CQSZACIVSA-N 523.409 2.514 50 10 KFGE COc1cc(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ccc1B(O)O 2289577464 SSMXQKQTCRODLW-SANMLTNESA-N 502.376 2.555 50 10 KFGE O=C(Nc1c(I)ncnc1I)[C@H]1C[C@@H](Br)C1 1991422772 BLCMPYZWZAUYQG-SYDPRGILSA-N 507.895 2.798 50 10 KFGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 2295148755 IMVPQPDIIGWNAR-UHFFFAOYSA-N 504.455 2.959 50 10 KFGE O=C(CNc1ccccc1I)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 2297710410 VUENZTUYSNSXLW-UHFFFAOYSA-N 509.304 2.598 50 10 KFGE COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(=O)CCSS(C)(=O)=O)CC2 35418971 KZMCZFBQMMHSRF-QGZVFWFLSA-N 523.629 2.935 50 10 KFGE in-vitro COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1C#N 103864892 UFUMJOHFBURGJL-DHRITJCHSA-N 534.354 2.533 50 10 KFGE CC[C@H](C)[C@H](CI)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2023039948 YEXGJZQKXSRBRG-QITLCBANSA-N 510.369 2.780 50 10 KFGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc4c(c3)OCO4)cc2OC)c1 254412956 OLHRANXYUAJFFA-UHFFFAOYSA-N 505.483 2.532 50 10 KFGE COC(=O)COc1c(I)cc(C=C(C#N)C(=O)NC(C)C)cc1I 2294171906 IKHYFIQYOYPLGY-UHFFFAOYSA-N 554.122 2.879 50 10 KFGE CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)c1C 2297489626 UFMZMTXRPVQYAT-UHFFFAOYSA-N 532.601 2.911 50 10 KFGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866582571 XCGQHSFWFLFEGX-PGRDOPGGSA-N 515.613 2.676 50 10 KFGE O=C(N/N=C/c1ccc(O)c(Br)c1)[C@@H]1C[C@H]1C(=O)N/N=C/c1ccc(O)c(Br)c1 103606153 KJXRGFGBWWNMBD-CCIVRMRRSA-N 524.169 2.859 50 10 KFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1cc(Br)cc(OC)c1O 252617713 KYTBSRGZGIVYMT-UHFFFAOYSA-N 557.434 2.976 50 10 KFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2284981448 HJZDQSZMIJVOAM-HHHXNRCGSA-N 500.404 2.979 50 10 KFGE COc1cc(/C(C)=N/NC(=O)c2cc(I)cc(I)c2O)ccc1OCC(N)=O 100310902 FXPZNRQTKBAZMV-LSFURLLWSA-N 609.158 2.628 50 10 KFGE CC1(C)O[C@@H]2O[C@H](C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 252427018 RGNOEWUAAKJJTL-QTVCLEQKSA-N 519.378 2.696 50 10 KFGE COc1ccc(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1B(O)O 2296191575 ZRUKQSCVJPEONR-SANMLTNESA-N 502.376 2.555 50 10 KFGE C[C@H](Br)CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364213007 CPRGBTBGPYWDIG-KRWDZBQOSA-N 500.459 2.574 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)C[C@@H]1CCOC1 2364215827 XHCQECVFGJZZLB-DLBZAZTESA-N 501.443 2.953 50 10 KFGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40657879 LMDUDDXVDVFVPL-UHFFFAOYSA-N 502.285 2.670 50 10 KFGE CCc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 1084241892 ZPWWAXAEOLDPGG-UHFFFAOYSA-N 536.654 2.903 50 10 KFGE COc1cc(C)c(C)cc1S(=O)(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860770408 HGEOUNLFUITMQY-SWLSCSKDSA-N 504.634 2.779 50 10 KFGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 2297635229 SELKTAOKOJSHBH-UHFFFAOYSA-N 548.668 2.724 50 10 KFGE C=CC[C@]1(O)C[C@H](CI)[N+]2(CC[N+]3(CC2)C[C@@](O)(CC=C)C[C@@H]3CI)C1 100501294 PDTPGEOBPZEFOB-HYPPHEFQSA-N 588.312 2.663 50 10 KFGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)C(=O)O)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 211992140 IYLRDJQQJKOWFD-OSPHWJPCSA-N 517.538 2.731 50 10 KFGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/Nc1nnc(SCC(=O)NNC(=O)C(C)C)[nH]1 253568617 LLAQMOQSQVYISZ-AFUMVMLFSA-N 524.655 2.631 50 10 KFGE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](CCBr)C1 2364196832 FHEOMOBKFXFCID-KRWDZBQOSA-N 500.459 2.574 50 10 KFGE CCOC(=O)C1CCN(C(=O)CCC(=O)NNc2nc3ccccc3c3nc(-c4ccccc4)nn23)CC1 20286989 NOAYJTUQPAWWLA-UHFFFAOYSA-N 515.574 2.970 50 10 KFGE Cc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc(S(N)(=O)=O)c1 1867237166 INFNMYKTZFDJFC-JOCHJYFZSA-N 510.597 2.901 50 10 KFGE COc1ccccc1OCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858957129 JJEWFLNOTCYIAE-UHFFFAOYSA-N 533.490 2.915 50 10 KFGE COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3C=C(C#N)C(=O)NC[C@@H]3CCCO3)CC2)cc1 2296546071 LECSRTCAOBGDTI-DEOSSOPVSA-N 528.613 2.540 50 10 KFGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC[C@H]1CCCO1 2296846326 BFTWTXIBDRVMQK-RUZDIDTESA-N 547.637 2.762 50 10 KFGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C(C)=C(C#N)C1=O 2314620600 SHPCDFWPBQUWLC-UHFFFAOYSA-N 617.684 2.962 50 10 KFGE CCOC(=O)c1c(N)sc(/C(C)=N\NC(=O)CC(=O)N/N=C(\C)c2sc(N)c(C(=O)OCC)c2C)c1C 105636958 WYWFPJCLBQTUSG-MKMZHBJZSA-N 550.663 2.715 50 10 KFGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 195786555 YEJYGCSQLCXHSL-QLHPUIKHSA-N 558.700 2.729 50 10 KFGE O=C(O)c1cccc(NC(=O)[C@@H]2C[C@H](SS[C@H]3CN[C@@H](C(=O)Nc4cccc(C(=O)O)c4)C3)CN2)c1 216236558 OUYXUDFSSQPGIH-FGYAAKKASA-N 530.628 2.503 50 10 KFGE COC(=O)[C@@H](I)CNC(=O)c1cc(I)ccc1Br 234586412 GGFQDWXJHVTJCB-VIFPVBQESA-N 537.917 2.760 50 10 KFGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2023039947 YEXGJZQKXSRBRG-PNPHSEOMSA-N 510.369 2.780 50 10 KFGE Cc1nc(I)c(NS(=O)(=O)C[C@H](C)CCl)c(I)n1 2058124648 LMWCBXYGFYVLRT-RXMQYKEDSA-N 515.542 2.611 50 10 KFGE CN(C)C[C@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215298 JKFNZJBXFWNUEW-IAGOWNOFSA-N 500.459 2.572 50 10 KFGE O=C(CCCCC(=O)NNC(=O)COc1ccc(Br)cc1)NNC(=O)COc1ccc(Br)cc1 100053182 QTIKPYYNESEHII-UHFFFAOYSA-N 600.264 2.525 50 10 KFGE CCCCOc1ccc(C(NC(=O)CI)NC(=O)CI)cc1OC 100916955 AKYWXFJXGVQXDC-UHFFFAOYSA-N 560.170 2.975 50 10 KFGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 101013402 HWTULTKEVRYIHV-FQWPPLDYSA-N 565.677 2.534 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113166 SDVWLJABLMUCKV-ZVHZXABRSA-N 500.309 2.884 50 10 KFGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 1084597772 CSIQAWNREZSQII-UHFFFAOYSA-N 523.571 2.777 50 10 KFGE N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 96507899 DNIXPXOFBDMWCK-PTNGSMBKSA-N 506.569 2.930 50 10 KFGE CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1866594276 SFFKXRKIBTWCAO-JOCHJYFZSA-N 547.728 2.686 50 10 KFGE O=C(CCCCC(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl)NNC(=O)CCC(=O)Nc1ccccc1Cl 100051188 FAQBHGYIJRUZNF-UHFFFAOYSA-N 593.468 2.986 50 10 KFGE COc1cc(C=NNC(=O)c2nonc2C(=O)NN=Cc2cc(Br)c(O)c(OC)c2)cc(Br)c1O 1084514032 WHVSGRSMSTWJFT-UHFFFAOYSA-N 612.191 2.551 50 10 KFGE Cc1sc2ncn(CC(=O)NNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 1860770172 WPBQYCJWFBMFKH-UHFFFAOYSA-N 508.472 2.711 50 10 KFGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNS(=O)(=O)c1ccc(Br)cc1 1860770388 GSVJBSBIUZEWPI-UHFFFAOYSA-N 519.402 2.897 50 10 KFGE C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 2059028299 OETIPEOAXRTLCK-XIEYBQDHSA-N 561.711 2.639 50 10 KFGE CCOC(=O)c1ccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2324332227 XCGKSHDTLHGPEE-UHFFFAOYSA-N 518.979 2.996 50 10 KFGE C=CCc1cc(C=NNC(=O)c2ccc(I)c(O)c2)cc(OC)c1OCC(=O)O 1084492375 MNMJQGICXLQQOE-UHFFFAOYSA-N 510.284 2.961 50 10 KFGE O=S(=O)(CCOCCCl)Nc1cc(I)cc(I)c1 2072131513 WJYYQTUADWUYRI-UHFFFAOYSA-N 515.538 2.893 50 10 KFGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)c1 12572199 BGWKOBUTSFKTCZ-UHFFFAOYSA-N 507.410 2.886 50 10 KFGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCC(=O)O 58890095 NKGUUOCZXXJEED-VBHHZLGVSA-N 512.300 2.727 50 10 KFGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 100318728 UIYXWVVJYBFAJA-CQSZACIVSA-N 523.409 2.515 50 10 KFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)cc(C)c2)cc1Br 14662084 JDQYCWHCLRKPRU-UHFFFAOYSA-N 510.410 2.806 50 10 KFGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(N/N=C/c2cc(Br)c(O)c(Br)c2)[nH]1 253563570 FOHYEBXLULRRBX-GWEZJUCKSA-N 549.249 2.765 50 10 KFGE C=CCn1c(CCc2ccc(I)cc2)nnc1SCC(=O)NNC(=O)C(F)(F)F 104430669 UJJUJMQPDWPQAM-UHFFFAOYSA-N 539.321 2.656 50 10 KFGE COCCNC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 1083967274 DWLMOKZBJLGUAO-UHFFFAOYSA-N 533.006 2.537 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(F)cc1 1084486512 GIRYVEZLKCAYLZ-UHFFFAOYSA-N 527.334 2.800 50 10 KFGE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 1866901681 DKIIYRLWWBPGIH-JOCHJYFZSA-N 509.632 2.684 50 10 KFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCOC)cc1 14662651 WOOGUUQUSHCHKG-UHFFFAOYSA-N 509.353 2.881 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1I 100078761 QSJKPCZPDCHMHP-UHFFFAOYSA-N 554.410 2.971 50 10 KFGE C=CC[C@]1(O)C[C@@H](CI)[N+]2(CC[N+]3(CC2)C[C@](O)(CC=C)C[C@@H]3CI)C1 100501297 PDTPGEOBPZEFOB-CIGGEUDFSA-N 588.312 2.663 50 10 KFGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCN3CCCC3=O)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 215668805 VEPULSDQYCFBMC-JCSADHLQSA-N 508.612 2.647 50 10 KFGE biogenic CCOC(=O)CN1C(=O)C(=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 254903607 JIJKLQQMEJRWRH-AGEZNUCUSA-N 540.532 2.616 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc(O)cc3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642535 NJKACLJQQJZZGC-COVNGFGYSA-N 538.641 2.821 50 10 KFGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1 2325417757 FPVRHPRYVFCTRZ-UHFFFAOYSA-N 536.395 2.952 50 10 KFGE COc1cc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)ccc1OCC(N)=O 254313006 ZEBVFSKCAKZRKH-UHFFFAOYSA-N 561.580 2.958 50 10 KFGE CCN(CC)Cc1c(C(=O)NN=Cc2cccc(OCc3ccc(F)cc3)c2)nnn1-c1nonc1N 254817494 XTLLEMAWUGXGRQ-UHFFFAOYSA-N 507.530 2.556 50 10 KFGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cnn(C)c1 105159124 ISYUFMDUIZCDHI-LSFURLLWSA-N 536.403 2.657 50 10 KFGE CCCN1C(=O)C(=NNC(=O)CCCC(=O)NN=C2C(=O)N(CCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720717 SQMSSIBELHFLHS-UHFFFAOYSA-N 562.627 2.728 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccccc3O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642552 OSYNIELXSXHLKV-NCRYHCEPSA-N 538.641 2.821 50 10 KFGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(N/N=C/c2cc(Br)cc(Br)c2O)[nH]1 104440612 WKSXLRJINORRGI-KPSZGOFPSA-N 549.249 2.767 50 10 KFGE COc1ccc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(OC)c(OC)c2OC)c(OC)c1OC 254287603 MDYGNPAQJHPTGX-UHFFFAOYSA-N 530.578 2.899 50 10 KFGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCC(=O)O 1083986788 NKGUUOCZXXJEED-MRXNPFEDSA-N 512.300 2.727 50 10 KFGE COc1cc(C=NNC(=O)CNC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720205 IICTWOBYRULRPA-UHFFFAOYSA-N 521.526 2.820 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccc(O)cc3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642538 NJKACLJQQJZZGC-ZDYWHOCYSA-N 538.641 2.821 50 10 KFGE CCCC(=O)O[C@H]1[C@H](C)[C@]2(O)[C@H](C=C(C=O)C[C@@]3(O)C(=O)C(C)=C[C@@H]32)[C@H]2C(C)(C)[C@@]12OC(=O)CCC 5273618 BSSVCYJMQUYSRI-AOMRAFNZSA-N 502.604 2.839 50 10 KFGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1ccc(Br)cc1C 100066076 ZXKQIVDVSZTTIP-UHFFFAOYSA-N 614.291 2.751 50 10 KFGE O=C(CSc1nnc(N/N=C/c2cc(Br)cc(Br)c2O)[nH]1)NNC(=O)C1CCC1 253562724 DPNGGYDFUSISNO-KPSZGOFPSA-N 547.233 2.521 50 10 KFGE Cc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1)S(C)(=O)=O 1084027876 MISOFCQVKLHVLM-UHFFFAOYSA-N 508.600 2.607 50 10 KFGE COC(=O)[C@H]1O[C@@H](Oc2ccc(C(Br)Br)cc2OC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1848432893 DRATZJBNFUNBSA-ARWBCWGVSA-N 612.220 2.555 50 10 KFGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1865758055 HCEXPYQRIPQLBK-UHFFFAOYSA-N 505.462 2.942 50 10 KFGE N#C/C(=C/NCCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216503200 RPYBLGXPHQHOJD-ROMGYVFFSA-N 529.666 2.807 50 10 KFGE CCc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 504727399 KRZYBMJVFWZNJJ-LCWAXJCOSA-N 520.316 2.583 50 10 KFGE biogenic CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1nscc1B(O)O 2268647196 NMKGSOQZALHIBE-KXNSMUHISA-N 507.421 2.954 50 10 KFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2283963978 NGHWEUGGEFIMJL-PPHZAIPVSA-N 500.404 2.979 50 10 KFGE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NNC(=O)c1ccccc1Br 2313683051 QLNICTOWWPDBTC-UHFFFAOYSA-N 516.308 2.832 50 10 KFGE CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N(C)C)cc1I 1084611733 PAHAPDZUOUCSEV-VZUCSPMQSA-N 507.122 2.991 50 10 KFGE CC(C)Oc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770325 CYVSXPPQSJNLKS-LSDHHAIUSA-N 504.634 2.941 50 10 KFGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOC)c(Br)c2)cc1 14662150 MXHPAMOLAIJAGE-UHFFFAOYSA-N 508.394 2.988 50 10 KFGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 101492402 YXZIBBJDKJDVLR-UHFFFAOYSA-N 522.341 2.518 50 10 KFGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 101492660 HWYLWHKDXLXXHU-UHFFFAOYSA-N 537.276 2.879 50 10 KFGE CCS(=O)(=O)N1CCC[C@@H](C(=O)NN=Cc2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C1 254403536 SHMZMCNIDJZSFT-OAQYLSRUSA-N 510.616 2.988 50 10 KFGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1)S(C)(=O)=O 1084018969 QDJAHLHHVDJKDU-UHFFFAOYSA-N 521.039 2.956 50 10 KFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14027607 CZYMEJTUIXLWCA-UHFFFAOYSA-N 529.615 2.610 50 10 KFGE CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCCN4CCOCC4)c(OCC)c3)[C@H]2C1 2118666 JNGUHFCCOAKBHN-OZXSUGGESA-N 546.628 2.678 50 10 KFGE O=C(N/N=C/c1cccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 38216475 SHBJMXJIXUQNGO-ASIDMNOUSA-N 550.400 2.847 50 10 KFGE Cc1c(N(CC(=O)NN=Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 254292100 QJGPWPKPCXNDTC-UHFFFAOYSA-N 547.593 2.559 50 10 KFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 254520826 BGFLYIAUPGKTMW-UHFFFAOYSA-N 525.583 2.901 50 10 KFGE CCN(CC)C(=O)Oc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCc3ccccc32)cc1 254698762 ZUUXABNCTZTHQC-UHFFFAOYSA-N 558.603 2.790 50 10 KFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744034 OYBXKVRHFPMHGY-UHFFFAOYSA-N 503.397 2.883 50 10 KFGE Cc1nc(I)c(I)n1Cc1ccc(C(=O)NN)cc1Br 2145235470 UXFWQNXFUUTTOL-UHFFFAOYSA-N 560.959 2.815 50 10 KFGE O=S1(=O)CC[C@@H](C(CBr)(CBr)Cc2ncc(I)cn2)C1 2381296523 UNYSPNPWXFRBDG-SECBINFHSA-N 538.043 2.835 50 10 KFGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 102854472 YUXYUIPWCYAHGR-XGHXRCDJSA-N 507.528 2.666 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(OC)c2O)Cc2ccccc2)cc1OC 254846789 WZZVPEJCGJQSML-UHFFFAOYSA-N 513.572 2.759 50 10 KFGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860770589 OONRNJCJIZSRAV-UHFFFAOYSA-N 504.977 2.797 50 10 KFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 1873777630 MZSCPBAUQDZKAJ-KRWDZBQOSA-N 506.028 2.905 50 10 KFGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1 217254426 FPVRHPRYVFCTRZ-ICFOKQHNSA-N 536.395 2.952 50 10 KFGE O=C(NN=Cc1ccccc1Br)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1083993250 JGZPLIVKRBHTBG-HSZRJFAPSA-N 591.509 2.663 50 10 KFGE COc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 102933590 OLFZGUMEBVGQLU-GDNBJRDFSA-N 528.524 2.982 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297580323 HQEHABLFHCPQHP-YKXFJNMQSA-N 525.436 2.844 50 10 KFGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 252611081 IHBIMEMNOJDIJW-UHFFFAOYSA-N 509.584 2.850 50 10 KFGE CC(=NNC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 254823861 SBQKHRWNSSUBCL-UHFFFAOYSA-N 525.583 2.938 50 10 KFGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 2270093260 VFSPREGULGEKBB-CQSZACIVSA-N 502.415 2.632 50 10 KFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)c1 10276418 YWSOJGUFTCSZAD-UHFFFAOYSA-N 510.410 2.887 50 10 KFGE CCOC(=O)/C(C#N)=C/C(C(=O)OCC)=C(/N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 102666601 GHVULNIXJUHLLP-MLUUXWFWSA-N 501.893 2.622 50 10 KFGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)cc1 2314435435 CNJHBXWWIMJQPS-UHFFFAOYSA-N 501.543 2.982 50 10 KFGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1cc2c(cc1Br)OCO2 1083856762 PTQYCIJZEUHGKH-UHFFFAOYSA-N 578.317 2.791 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772750273 YNQZZULSYCETJM-UHFFFAOYSA-N 505.487 2.807 50 10 KFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2283963985 NGHWEUGGEFIMJL-WINIVTDRSA-N 500.404 2.979 50 10 KFGE COc1cc(C(=O)NN=C[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)ccc1O 2297642527 LYPHLZMFSLKUPV-SIJBYVABSA-N 568.667 2.829 50 10 KFGE N#CC(=CNCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324603034 YOJLGDMBKGUVJJ-UHFFFAOYSA-N 515.639 2.765 50 10 KFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCOC)c(Br)c2)cc1 14661571 CWVCUSXUMSUIBM-UHFFFAOYSA-N 509.353 2.881 50 10 KFGE CCCN1C(=O)C(=NNC(=O)CCCC(=O)NN=C2C(=O)N(CCC)c3ccccc32)c2ccccc21 254696398 QFHLFLVMCGNPIC-UHFFFAOYSA-N 502.575 2.711 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084211465 JJVYDJKURZCVPY-UHFFFAOYSA-N 507.341 2.727 50 10 KFGE Cn1cc(S(=O)(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(CCl)n1 2140766450 XVXNTEIHEVMALC-UHFFFAOYSA-N 510.057 2.635 50 10 KFGE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)C1 2349657980 UXVKSKNWBUWKPC-VFNWGFHPSA-N 509.691 2.961 50 10 KFGE O=C(OC(c1ccccc1)c1ccccc1)[C@H](N1C(=O)[C@@H]2N=C(c3ccccc3)O[C@@H]21)[C@@](O)(CO)CCl 504116228 SUVJZPSWADVSLN-ZUGYVFOXSA-N 520.969 2.664 50 10 KFGE O=C(NN=Cc1ccc(O)c(Br)c1)[C@H]1C[C@@H]1C(=O)NN=Cc1ccc(O)c(Br)c1 1084521308 KJXRGFGBWWNMBD-STQMWFEESA-N 524.169 2.859 50 10 KFGE OB(O)c1cccc(COc2c(I)cc(Cl)cc2I)c1 2235495923 SHXKXRIFKQMXPQ-UHFFFAOYSA-N 514.293 2.808 50 10 KFGE CC(C)(COc1c(I)cc(I)cc1I)C(=O)NN 129494175 SQLKGGJYMKTDJP-UHFFFAOYSA-N 585.949 2.895 50 10 KFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OCCc2ccccc2)c1 13623586 QGQHPUWADIIYGF-HSZRJFAPSA-N 516.623 2.992 50 10 KFGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])CC1 40659388 MSIGDTDCMIOJLM-UHFFFAOYSA-N 505.535 2.939 50 10 KFGE Cc1cc(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)ccc1Cl 100091623 SEYLJPQXTNSHRJ-UHFFFAOYSA-N 525.389 2.533 50 10 KFGE CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2ccc(I)o2)c(OC)c1 252616589 KBJQIGYAJQDBRV-HXUWFJFHSA-N 582.351 2.613 50 10 KFGE Cc1ccc(S(=O)(=O)NNC(=O)Cn2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 1044760 AGRBZCQVUWRTSH-UHFFFAOYSA-N 508.404 2.696 50 10 KFGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 13976325 AXVYKTWNJDFKSA-UHFFFAOYSA-N 505.394 2.821 50 10 KFGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 254489854 JGYYORQGICUNOT-UHFFFAOYSA-N 536.497 2.720 50 10 KFGE CCC(CBr)(CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545829 VNZWVDHIBZUZKH-MRXNPFEDSA-N 528.238 2.869 50 10 KFGE COc1c(O)ccc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1[N+](=O)[O-] 2295482910 AKTFXCBEENLAFE-UHFFFAOYSA-N 504.455 2.959 50 10 KFGE Cc1cc(Cl)ccc1OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc1ccc(Cl)cc1C 100049254 DDJLGVHXBSFTDT-UHFFFAOYSA-N 539.416 2.923 50 10 KFGE Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2CI)c(C)c1 607715922 YTVDSLHFYYULSC-UHFFFAOYSA-N 542.443 2.779 50 10 KFGE CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)N(C)C)cc1I 1084194698 ROQOYGZMOSKEAZ-VZUCSPMQSA-N 554.122 2.833 50 10 KFGE O=C1CN(C(=O)c2ccc(I)c(Br)c2)CCN1CCBr 2171075008 VFWFOFFJDUSGKX-UHFFFAOYSA-N 515.971 2.733 50 10 KFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1c(F)cccc1B(O)O 2289647625 PGFFPTGIZQMZIF-AREMUKBSSA-N 504.367 2.728 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600334 DFDJFPVZKZIADN-XIEYBQDHSA-N 520.458 2.950 50 10 KFGE Cc1cc(Br)ccc1N1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872962657 VQJZXEIOIPENOY-DLBZAZTESA-N 500.397 2.887 50 10 KFGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 101493059 JYGOWUVJGRKSOK-UHFFFAOYSA-N 537.276 2.879 50 10 KFGE CCN1C(=O)C(=NNC(=O)CC(=O)NN=C2C(=O)N(CC)c3ccc(Br)cc32)c2cc(Br)ccc21 245263462 AEUBDNIPAMUDRB-UHFFFAOYSA-N 604.259 2.676 50 10 KFGE CCOc1ccc(C=NNC(=O)c2nsnc2NC)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 254847329 ZOFOBYDJGMSQOM-MSOLQXFVSA-N 507.620 2.523 50 10 KFGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14668670 ORWCCPHLIFTDKU-UHFFFAOYSA-N 511.354 2.859 50 10 KFGE Cc1nn(CCO)c(C)c1/C=N/NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 59914289 MZPBWBJGGKTSMR-JFLMPSFJSA-N 504.620 2.927 50 10 KFGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100102975 XNBXITDQKKJSHA-UHFFFAOYSA-N 532.716 2.633 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600329 GYRHSHJAMDYJCL-KOEQRZSOSA-N 520.458 2.950 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCc1cccc(F)c1 1084129862 KZMQGDQXHFDMQJ-UHFFFAOYSA-N 527.334 2.800 50 10 KFGE O=C(CSc1n[nH]c(NN=Cc2cc(Br)c(O)c(Br)c2)n1)NNC(=O)C1CCC1 1084430111 QOQRTBJFHNCUPV-UHFFFAOYSA-N 547.233 2.521 50 10 KFGE O=C(COc1ccccc1)NNc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 101494352 CWIORRKAINYUJO-UHFFFAOYSA-N 522.305 2.736 50 10 KFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1873777103 AAAZITASVUCGAS-KRWDZBQOSA-N 508.535 2.528 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 254600839 LCHROIDYFIHBMG-UHFFFAOYSA-N 542.526 2.656 50 10 KFGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502250 LVPQKQIKJNWHFG-UHFFFAOYSA-N 508.900 2.519 50 10 KFGE CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2ccc(I)o2)c(OC)c1 252616588 KBJQIGYAJQDBRV-FQEVSTJZSA-N 582.351 2.613 50 10 KFGE O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=O)NN=Cc1ccccc1OC(=O)/C=C1/SC(=O)NC1=O 254349216 JZZZEKOEQVCNQE-SWSBMQKNSA-N 568.571 2.624 50 10 KFGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084624757 JEDVPTKYQZDIPP-UHFFFAOYSA-N 520.380 2.938 50 10 KFGE CCN1C(=O)C(=NNC(=O)CCCCC(=O)NN=C2C(=O)N(CC)c3ccc(C)cc32)c2cc(C)ccc21 1772720040 DSATYROQKJPKBD-UHFFFAOYSA-N 516.602 2.938 50 10 KFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2C(=O)O)cc1OC 1084443759 SLFZPYRQUUOSQK-UHFFFAOYSA-N 525.583 2.786 50 10 KFGE CC(C)(NC(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866903792 XOKMXMXQFCORCU-JOCHJYFZSA-N 541.699 2.716 50 10 KFGE CN(C)C[C@H]1C[C@H](Br)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215295 JKFNZJBXFWNUEW-DLBZAZTESA-N 500.459 2.572 50 10 KFGE O=C(NN=Cc1cccc(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 254706398 SHBJMXJIXUQNGO-UHFFFAOYSA-N 550.400 2.847 50 10 KFGE Nn1c(SCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084340430 MYYZQNXRFLVYHP-UHFFFAOYSA-N 616.208 2.948 50 10 KFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 14022054 DGONULYIVXQHKZ-UHFFFAOYSA-N 529.615 2.610 50 10 KFGE CCOc1ccc(N(CC(=O)NN=Cc2cccc(OCC(=O)OC)c2)S(=O)(=O)c2ccccc2)cc1 1083963471 BCHUOCHDIYLVLL-UHFFFAOYSA-N 525.583 2.983 50 10 KFGE Nn1c(SCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084015472 QNDSHBIDSZIUON-UHFFFAOYSA-N 616.208 2.948 50 10 KFGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(N/N=C/c2cc(Br)cc(Br)c2O)[nH]1 253566039 IMACATFUKAQQSP-QOZVTFESSA-N 549.249 2.765 50 10 KFGE CCOc1cc(C=NNC(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1O 1772719595 CHRCXSLLHMRZLZ-UHFFFAOYSA-N 524.368 2.849 50 10 KFGE CCN(C[C@@](C)(CI)O[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2270093774 AOZGUDIYCZGOQG-WMLDXEAASA-N 504.431 2.878 50 10 KFGE CC(C)Oc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770323 CYVSXPPQSJNLKS-GJZGRUSLSA-N 504.634 2.941 50 10 KFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597547 QSYGIAXLLGQCBF-LGUFXXKBSA-N 505.487 2.807 50 10 KFGE COc1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 254701015 ONVVLWHVTYSINE-UHFFFAOYSA-N 544.517 2.859 50 10 KFGE CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866653829 AHBYACBGODUBCX-SFTDATJTSA-N 567.736 2.711 50 10 KFGE COc1cc(C=NNC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=O)ccc1OC(=O)C=C1SC(=O)NC1=O 2041467621 HCQYIOFFCNYVIL-UHFFFAOYSA-N 598.597 2.632 50 10 KFGE CC(=O)O[C@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1083818442 VGYXHRLXTGSRIS-CNXZJCAJSA-N 586.710 2.646 50 10 KFGE CNC(=O)Nc1ccc(C(=O)N/N=C\[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@H](C4=CC(=O)OC4)CC[C@]23O)cc1 253530979 PNZGSNYJSGYHLU-LJSYZCCESA-N 594.709 2.866 50 10 KFGE biogenic Nc1nonc1-n1nnc(C(=O)NN=Cc2c(O)ccc3ccccc23)c1CN1CCCc2ccccc21 254852875 AYPZXEBTHXZDQQ-UHFFFAOYSA-N 509.530 2.808 50 10 KFGE COc1cccc(C=NNC(=O)c2cccc(F)c2NS(=O)(=O)c2cccs2)c1OCC(=O)O 1081159577 MUGKEFWZJMJUEO-UHFFFAOYSA-N 507.521 2.924 50 10 KFGE C/C(=N/NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 97991814 SBQKHRWNSSUBCL-USHMODERSA-N 525.583 2.938 50 10 KFGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 100080736 OOBJOCWMXHKAHB-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE C/C(=N/NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(OCC(=O)N(C)C)c1 2059028367 AOMWIGXXKXFAGN-IWIPYMOSSA-N 501.590 2.565 50 10 KFGE COc1ccc(OC)c(NC(=O)C(=O)NN=C(C)CC(=O)Nc2cccc(I)c2)c1 252626635 RCKUKCHXWQMFBC-UHFFFAOYSA-N 524.315 2.768 50 10 KFGE CCS(=O)(=O)N1CCC[C@H](C(=O)NN=Cc2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C1 254403530 SHMZMCNIDJZSFT-NRFANRHFSA-N 510.616 2.988 50 10 KFGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770288 BMRQUAWXDNFHKJ-NEPJUHHUSA-N 511.025 2.816 50 10 KFGE CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(=O)C(C#N)=C(C)N 2042438061 FLRLRUHTWHUNER-FQEVSTJZSA-N 562.442 2.832 50 10 KFGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1ccncc1 12572725 YSOVIQRJBOXEJB-UHFFFAOYSA-N 502.188 2.630 50 10 KFGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)CI)CCN(Cc2ccccc2)CC1 1887075523 DNDOIJLWIUUJHY-UHFFFAOYSA-N 523.437 2.858 50 10 KFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2285032777 XMXLIDDIJPHUEI-HHHXNRCGSA-N 500.404 2.979 50 10 KFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)ccc1Br 14011507 DMVCVDVAWMSMBI-UHFFFAOYSA-N 522.421 2.724 50 10 KFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 2314795769 ORJINCYDAZQTFQ-DEOSSOPVSA-N 517.538 2.687 50 10 KFGE CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 72130449 OTHVURBITOMQHQ-QRQMUESOSA-N 721.025 2.551 50 10 KFGE in-vitro COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 100203349 GRIRWDWIYGXLPY-UHFFFAOYSA-N 535.420 2.772 50 10 KFGE O=C(NN=Cc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1084527903 IADMXXKEPVTSSF-HSZRJFAPSA-N 547.058 2.554 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2164488742 YDLKTKZCAPGPFA-YLVFBTJISA-N 515.323 2.846 50 10 KFGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 100318785 LRTZFISCKCWMFH-AWEZNQCLSA-N 523.409 2.514 50 10 KFGE O=C(NN=C[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc(Br)c(O)c(Br)c1 725421915 QNJLPGAFPHKGCU-NSHDSACASA-N 540.193 2.697 50 10 KFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747721 OCZCJJBCKSRHDM-UHFFFAOYSA-N 503.515 2.899 50 10 KFGE CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](Br)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 1848440481 WCBHORKWCUQBTR-RYRQIHONSA-N 513.400 2.840 50 10 KFGE NNC(=O)[C@@H]1CC[C@H]1COc1c(I)cc(I)cc1I 2228967744 WHHIGUFOCFVSKN-POYBYMJQSA-N 597.960 2.895 50 10 KFGE N#CC(=Cc1cn(CC(N)=O)c2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2295635788 DNIXPXOFBDMWCK-UHFFFAOYSA-N 506.569 2.930 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC)c(I)c2)cc1I 100078756 NCDLAEOWAMWPCK-UHFFFAOYSA-N 611.199 2.862 50 10 KFGE COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN(C)C)c3ccc(Br)cc32)cc1OC 100302418 SFWYKNMWGNMCIF-SZEFTIOJSA-N 532.395 2.593 50 10 KFGE O=C(CN1CCOCC1)NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 1084117677 JRMBQLPWYMYNHL-UHFFFAOYSA-N 649.223 2.986 50 10 KFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2205475687 UZMNVJCZMQMGAN-XHCCPWGMSA-N 500.404 2.979 50 10 KFGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999338 OSJKOQOUYQZIQT-UHFFFAOYSA-N 522.421 2.806 50 10 KFGE C[C@H](Sc1n[nH]c(NN=Cc2cc(Br)c(O)c(Br)c2)n1)C(=O)NNC(=O)C1CCC1 1083920320 OICABPSAQALZCE-QMMMGPOBSA-N 561.260 2.909 50 10 KFGE O=C(Cc1ccncc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859007794 XPCZEYMQJSBIRA-UHFFFAOYSA-N 502.480 2.508 50 10 KFGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(Br)c1O 19651366 JGFKWSYQZYDANB-RHTPEETPSA-N 506.382 2.605 50 10 KFGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(N)=O)cc2)c2ccc(C)cc2C)cc1 1084290675 YBAKZAJSMSHLAW-UHFFFAOYSA-N 508.600 2.822 50 10 KFGE COc1ccccc1N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccccc1 1084611781 JHTYCLQZXNKODC-UHFFFAOYSA-N 553.597 2.786 50 10 KFGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(Br)c1OC 1772760267 OCVWXUFAHGIFDV-NSHDSACASA-N 520.409 2.908 50 10 KFGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860770523 LXQDQEGFNPCTJH-UHFFFAOYSA-N 504.977 2.797 50 10 KFGE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](CCBr)C1 2364196833 FHEOMOBKFXFCID-QGZVFWFLSA-N 500.459 2.574 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(CI)CC1 1949198798 SERDASIYOJDCJF-UHFFFAOYSA-N 504.390 2.930 50 10 KFGE CCOC(=O)COc1c(I)cc(C=C(C#N)C(=O)N(C)C)cc1I 2313568115 ROQOYGZMOSKEAZ-UHFFFAOYSA-N 554.122 2.833 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1I 100102357 ANHQDMPDRQZOHQ-UHFFFAOYSA-N 540.383 2.844 50 10 KFGE COc1cc(/C=C\C(=O)NNC(=O)COc2ccc(C#N)cc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 103039513 RWNSLTXEXIAWKU-XFXZXTDPSA-N 562.604 2.566 50 10 KFGE C[C@]1(B(O)O)CCN(C(=O)c2cc(I)cc(I)c2I)C1 2368348177 IJBWMFJEMVZMQB-LBPRGKRZSA-N 610.764 2.579 50 10 KFGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658605 XAJIFLDIIJCXPX-UHFFFAOYSA-N 511.926 2.846 50 10 KFGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 100314031 IHVHHINMXQQKJO-KRWDZBQOSA-N 533.448 2.922 50 10 KFGE CSc1sc(SC)c(C=NNC(=O)c2cc(O)c(O)c(O)c2)c1C=NNC(=O)c1cc(O)c(O)c(O)c1 1084631281 RNSFNUBWMVNICV-UHFFFAOYSA-N 564.623 2.953 50 10 KFGE O=C(COc1ccccc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858955638 IJUWLKDLKZLXOR-UHFFFAOYSA-N 503.464 2.906 50 10 KFGE CCOc1cc(/C=N/NC(=O)CSc2nnc(CCCc3ccc(OC)cc3)o2)ccc1OCC(N)=O 35999782 ATEMCEWLYRTAND-MZJWZYIUSA-N 527.603 2.759 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 100080653 DUNQEXCYVUPFOJ-UHFFFAOYSA-N 532.170 2.834 50 10 KFGE CCOc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OCC)c(OC)c2)C=3C#N)cc1OC 254311479 ZSIJDHWHOPUQMX-VWLOTQADSA-N 530.606 2.676 50 10 KFGE O=C(NNC(=S)NC(=O)c1ccccc1I)c1ccc(Cl)c([N+](=O)[O-])c1 12501608 APMKJXLWZLGWNT-UHFFFAOYSA-N 504.693 2.802 50 10 KFGE O=C(CCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Br)NCc1ccccc1 100080749 ITUMLDIFIUEORC-UHFFFAOYSA-N 572.279 2.709 50 10 KFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1084232320 HGFKKGISEISJJH-UHFFFAOYSA-N 525.583 2.901 50 10 KFGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)=C(C#N)C1=O 2314620938 WNLAOAIMUUSINA-UHFFFAOYSA-N 659.721 2.732 50 10 KFGE O=C(N/N=C/c1cccc(Cl)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 253567540 KEBSQAFIBVDXIH-NWJFTTBMSA-N 547.058 2.554 50 10 KFGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)CNC(=O)c3ccccc3)cc2)cc1 1858995093 DJFMBHIPZLWYME-UHFFFAOYSA-N 537.623 2.859 50 10 KFGE COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3C=C(C#N)C(=O)NC[C@H]3CCCO3)CC2)cc1 2296546072 LECSRTCAOBGDTI-XMMPIXPASA-N 528.613 2.540 50 10 KFGE COCCNC(=O)C(C#N)=Cc1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 2296731256 JODGKOWZHFTLFV-UHFFFAOYSA-N 506.994 2.653 50 10 KFGE O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/c1c(O)ccc2ccccc12 1477698 CYCIMHJJVZBVBX-MFKUBSTISA-N 531.432 2.765 50 10 KFGE COc1cc(C=C2SC(=S)N(CC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc(OC)c1OC 2296761444 DZYMBPDNKXBWGB-UHFFFAOYSA-N 505.549 2.514 50 10 KFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811736 QGRYHVOXSLHOAI-NLRVBDNBSA-N 503.397 2.883 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)Cc2ccccc2)cc1 1084030669 RSIIIBQEFCBCGK-NDEPHWFRSA-N 621.716 2.660 50 10 KFGE CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866648015 OHTTWESFJQZIST-LEWJYISDSA-N 535.669 2.758 50 10 KFGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)COc4ccccc4)c(C)c32)cc1 1772749733 YNBKEQLFOXIDIY-UHFFFAOYSA-N 510.572 2.755 50 10 KFGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2084715656 MVJTYVJKWATRCP-FQEVSTJZSA-N 531.517 2.802 50 10 KFGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 100203329 NLAYOEHOPLXMAZ-UHFFFAOYSA-N 561.252 2.951 50 10 KFGE COC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1083915636 TZIRGQMZRZITSE-UHFFFAOYSA-N 571.608 2.610 50 10 KFGE COc1ccc(OC)c(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 2325160208 JLXIGVBVZSHLKY-UHFFFAOYSA-N 506.968 2.836 50 10 KFGE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NNC(=O)c1ccccc1Br 2313682669 IGPSFPSVJPJQEC-UHFFFAOYSA-N 501.337 2.932 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1Br 14011489 FPQPRNUWSXTPTC-UHFFFAOYSA-N 508.394 2.659 50 10 KFGE COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N 58990369 DNDDUFHSOTXXQW-ZVBGSRNCSA-N 506.342 2.581 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(O)cc3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118917246 NJKACLJQQJZZGC-FDMBYLHTSA-N 538.641 2.821 50 10 KFGE biogenic COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNS(=O)(=O)c1ccc(C)cc1)CCC2 1772747688 FLXSOTPQSBVWHC-UHFFFAOYSA-N 510.572 2.999 50 10 KFGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 14654121 UPSUMBKHZNFKLW-UHFFFAOYSA-N 521.437 2.970 50 10 KFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 100201897 UEWDQGMJPMSMKL-UHFFFAOYSA-N 535.420 2.772 50 10 KFGE C=CCc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 1615168272 CDOLSFKADCZMEU-XDWAVFMPSA-N 532.327 2.749 50 10 KFGE COC(=O)CN1C(=O)C(=NNC(=O)COc2ccc(Br)cc2Br)c2ccccc21 1772752754 QLGDDIIMULMOFA-UHFFFAOYSA-N 525.153 2.631 50 10 KFGE NNC(=O)[C@H]1C[C@@H]1COc1c(I)cc(I)cc1I 2028054058 XLHOMZNGAIYSRK-VDTYLAMSSA-N 583.933 2.505 50 10 KFGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 40890108 UJKBSVKIZDHYHV-LFIBNONCSA-N 506.471 2.627 50 10 KFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079293 CYFRVZWBKUGWIG-UHFFFAOYSA-N 533.360 2.990 50 10 KFGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 101341497 SDNBQZGJPWHVAG-OVVQPSECSA-N 617.684 2.962 50 10 KFGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCN3CCCC3=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253624547 VEPULSDQYCFBMC-HAXSOQIMSA-N 508.612 2.647 50 10 KFGE CCOc1cc(C=NNC(=O)c2c(CN3CCCCC3)nnn2-c2nonc2N)ccc1OC(=O)c1cccc(OC)c1 254813272 XDDIHBFYRWCIQX-UHFFFAOYSA-N 589.613 2.609 50 10 KFGE CC(C)Oc1ccc(C=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 1084591834 SOIBTDGGFUFJDU-SANMLTNESA-N 570.693 2.688 50 10 KFGE O=S1(=O)CC[C@H](C(CBr)(CBr)Cc2ncc(I)cn2)C1 2381296524 UNYSPNPWXFRBDG-VIFPVBQESA-N 538.043 2.835 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccc(O)cc3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530963 NJKACLJQQJZZGC-CVZGZBHISA-N 538.641 2.821 50 10 KFGE biogenic O=C(CON=Cc1ccccc1Cl)NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 254605488 DMNHGWPYPKTYLL-QFIPXVFZSA-N 504.930 2.745 50 10 KFGE Cc1nc(I)c(NC(=O)[C@H]2C[C@H]2Br)c(I)n1 1991402188 RQJMNZKXOXLCAX-CRCLSJGQSA-N 507.895 2.716 50 10 KFGE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)c1cc(OC)cc(OC)c1 2313683354 XXYSJNZAFWODEB-UHFFFAOYSA-N 509.544 2.788 50 10 KFGE COc1ccc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)c(OC)c1OC 21964641 MDYGNPAQJHPTGX-DPCVLPDWSA-N 530.578 2.899 50 10 KFGE COc1ccc(OCc2ccc(/C=N/Nc3nc(SCC(=O)NNC(=O)c4ccccc4)n[nH]3)o2)cc1 59817977 SDWFQRUHIVPWSV-DHRITJCHSA-N 521.559 2.985 50 10 KFGE COc1c(Cl)cc(Cl)cc1C=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1 254845939 FTWTUSNFNKXRNG-UHFFFAOYSA-N 508.370 2.688 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 1084437622 KZNOGVPFYHDECA-UHFFFAOYSA-N 523.571 2.937 50 10 KFGE C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@@](C)(O)C/C=C/C(C)(C)OO)CC[C@@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 2080447599 QDBRKNVBOYHAGZ-ZQEKNTKJSA-N 796.992 2.773 50 10 KFGE C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)C[C@](C)(O)CC(=O)O)O[C@H]2O[C@@H]2CC[C@@H]3C(=CC[C@@H]4[C@]3(C)C(=O)C[C@]3(C)[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)CC[C@]43C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O 2080448800 VACNMKGQGOMANA-LCKSSOQGSA-N 941.118 2.940 50 10 KFGE COc1c(I)cc(I)cc1C=C(C#N)c1nn(CCO)c(N)c1C#N 2313543822 LNJQSRDRYIORQX-UHFFFAOYSA-N 561.121 2.611 50 10 KFGE CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)O[C@@]3(C3OCCO3)[C@H](Br)[C@H]2Br)cc1 252427009 QXNVQAAAGNZOPA-DNQUJSQBSA-N 531.197 2.632 50 10 KFGE O=C(CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 312135822 DTDHVYJZOQRMQL-FDFHNCONSA-N 567.085 2.622 50 10 KFGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c(c2)OCO3)Cc2ccccc2)cc1 1084039706 ZFYVMIARNHOQCQ-UHFFFAOYSA-N 508.556 2.715 50 10 KFGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CN2CCOCC2)cc1I 1084059825 LOLZIVZSNHLMID-UHFFFAOYSA-N 504.328 2.524 50 10 KFGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 103782731 YACMWCZPGXIYSZ-WPXQYKPHSA-N 502.980 2.718 50 10 KFGE O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858957736 NVVUPSSDVZHBSF-UHFFFAOYSA-N 532.462 2.978 50 10 KFGE COc1ccc(/C=C2/SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC 33923273 IEMWMIFCKLWTOY-CPNJWEJPSA-N 521.642 2.613 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100053936 BMFSSEOQVAPEJV-UHFFFAOYSA-N 518.074 2.868 50 10 KFGE Cc1ccc(NC(=O)C(=NNC(=O)C(N)=O)[C@@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1C 254838220 IFLIJRJJDKIWGU-QGZVFWFLSA-N 505.516 2.539 50 10 KFGE O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1 1083891169 WOLQKQPEOTWNIL-UHFFFAOYSA-N 535.626 2.819 50 10 KFGE Nn1c(SCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nnc1-c1ccncc1 1084356813 KBEHTKLPJQFEII-UHFFFAOYSA-N 527.202 2.527 50 10 KFGE COc1ccc2c(c1)C(=NNC(=O)CCCCCCCC(=O)NN=C1C(=O)N(C)c3ccc(OC)cc31)C(=O)N2C 1772720403 LBMMCCZDFPFSIS-UHFFFAOYSA-N 562.627 2.728 50 10 KFGE CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 103865228 QKQGKBUURPOXCS-ZMOGYAJESA-N 568.368 2.959 50 10 KFGE O=C(CO[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@H]21)NNC(=O)c1cccc(F)c1 230040971 UUUFZYHZZUZQKA-XFAKCGHRSA-N 534.581 2.848 50 10 KFGE biogenic CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1083817693 YEJYGCSQLCXHSL-BIJRFUASSA-N 558.700 2.729 50 10 KFGE COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc2c(c1)OCO2 1084423448 DJHRMRGZSYWSAX-UHFFFAOYSA-N 506.353 2.548 50 10 KFGE NNC(=O)C(F)(F)COc1c(I)cc(Cl)cc1I 2027848332 ABOFZGNHPBPYBR-UHFFFAOYSA-N 502.424 2.553 50 10 KFGE O=C(COc1ccc(Br)cc1Br)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 100313343 ZAFAIYKQWIZXDQ-AWEZNQCLSA-N 525.197 2.787 50 10 KFGE Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)O[C@@]3(C3OCCO3)[C@@H](Br)[C@@H]2Br)c(C)c1 1082829528 SQVQYRXZWZMDPR-DDIBIWTASA-N 515.198 2.850 50 10 KFGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cnn(CCOC)c1 1083894885 FECPHQWMLFBMBW-UHFFFAOYSA-N 580.456 2.766 50 10 KFGE CCCN1C(=O)/C(=N/NC(=O)CC(=O)N/N=C2/C(=O)N(CCC)c3ccc(C)cc32)c2cc(C)ccc21 38180214 QRFOWDAWVXYVEQ-AMLXCYGQSA-N 502.575 2.548 50 10 KFGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1 41013470 UUADSSRLAIBQQX-XDHOZWIPSA-N 504.495 2.860 50 10 KFGE CCOC(=O)CN1C(=O)C(=NNC(=O)/C(=C/c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c2ccccc21 254312759 RJGIWEJZNHGKQY-YCGASADJSA-N 556.575 2.905 50 10 KFGE O=C(NN=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 254394917 YFNXUKQKVCOJAA-UHFFFAOYSA-N 538.538 2.599 50 10 KFGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)cc1CN1CCN(c2ccc(F)cc2)CC1 254451015 QHVPXOBZDPGWEY-UHFFFAOYSA-N 631.717 2.698 50 10 KFGE COc1cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(OC)c1OC 1860772011 OFFYEUGZYIIGQP-QWHCGFSZSA-N 500.577 2.631 50 10 KFGE COc1cccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(C)(=O)=O)c1 254826122 WBBTYNUWEITZHJ-UHFFFAOYSA-N 540.598 2.638 50 10 KFGE CCOC(=O)C1=c2sc(=Cc3ccc(OCC)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(OCC)cc1 254834882 VFJACBJTPDSEBO-QHCPKHFHSA-N 517.607 2.698 50 10 KFGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c(OC)c1 1084018967 NJIVGECQIMREPN-UHFFFAOYSA-N 544.550 2.905 50 10 KFGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)c1 2296547631 OLDMOWXAUHDIOD-HSZRJFAPSA-N 505.600 2.992 50 10 KFGE Cc1ccc(NC(=O)COC(=O)C(C#N)=Cc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1 2297486815 FXKJPDGMDMWKDS-UHFFFAOYSA-N 511.556 2.987 50 10 KFGE CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)CCl)CC1 34910199 SXAZTJSCPOLVKY-UHFFFAOYSA-N 522.495 2.587 50 10 KFGE CCCCN1C(=O)/C(=N/NC(=O)CC(=O)N/N=C2/C(=O)N(CCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 100870185 RFATWRZFJMVTJY-RPZUVYPISA-N 562.627 2.728 50 10 KFGE CCOc1cc(C=NNC(=O)CSn2nnnc2-c2ccccc2)cc(I)c1O 252630085 UUFKEXIDXNOQFP-UHFFFAOYSA-N 524.344 2.696 50 10 KFGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCN3C(=O)c4ccccc4C3=O)c(C)n2)cc1OC 1865758309 UKSSYNDUNUWYOW-UHFFFAOYSA-N 502.527 2.912 50 10 KFGE Cc1cccc(C)c1OCC(=O)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Br)cc21 13614702 OCMUNQGEURWGHN-QLYXXIJNSA-N 501.381 2.602 50 10 KFGE CCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 101642925 AFCMQILQTFVTCW-LEFZIZOVSA-N 577.707 2.603 50 10 KFGE biogenic CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2284985792 HJZDQSZMIJVOAM-MHZLTWQESA-N 500.404 2.979 50 10 KFGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc(OC)c1OC(=O)N1CCOCC1 3014083 HECFVDLXYKOMFQ-HXUWFJFHSA-N 505.483 2.859 50 10 KFGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 14647813 BHYMTYLIELYUJU-UHFFFAOYSA-N 511.354 2.861 50 10 KFGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1 207211646 UUADSSRLAIBQQX-UNOMPAQXSA-N 504.495 2.860 50 10 KFGE NNC(=O)C(F)(F)COc1c(I)cc(I)cc1I 2027848628 DFYCMFDFDZCCMG-UHFFFAOYSA-N 593.875 2.504 50 10 KFGE COC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C 725390760 DEFBGWYUKVQWJS-TUFLPTIASA-N 704.890 2.554 50 10 KFGE Cc1c(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1084160335 YNKOKDARILXRGW-UHFFFAOYSA-N 561.620 2.601 50 10 KFGE NNC(=O)[C@@H]1CC[C@@H]1COc1c(I)cc(Cl)cc1I 2228966936 RBDBXGLNSOZNHC-HTRCEHHLSA-N 506.509 2.944 50 10 KFGE COc1cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(OC)c1OC 1860772010 OFFYEUGZYIIGQP-OLZOCXBDSA-N 500.577 2.631 50 10 KFGE O=C(N/N=C/c1cc(Br)ccc1O)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 103746840 TWVAPIABORZVJV-OPEKNORGSA-N 544.284 2.881 50 10 KFGE CCN(CC)C1=CC(=O)/C(=C/NNC(=O)CCCCCC(=O)NN/C=C2\C=CC(N(CC)CC)=CC2=O)C=C1 137965074 ILCWHQFSICMHIP-DQPVQCHKSA-N 538.693 2.676 50 10 KFGE C[C@H](Sc1n[nH]c(N/N=C/c2ccc(COc3ccc(F)cc3)o2)n1)C(=O)NNC(=O)C1CCC1 59880236 MFKOQIXGLRKTOM-DKZNWEEVSA-N 501.544 2.990 50 10 KFGE COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 100029504 SVDKZNGFGROABC-UHFFFAOYSA-N 517.199 2.935 50 10 KFGE CCCc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 1615168286 HYHMWEKPMRVSDV-FDKIHUSFSA-N 534.343 2.973 50 10 KFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607216 UMCUYSJAQYSROT-NHFJDJAPSA-N 519.514 2.736 50 10 KFGE C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCN2CCCC2=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254607503 VEPULSDQYCFBMC-MLLBWDOMSA-N 508.612 2.647 50 10 KFGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 254853582 ADZVETNFGYHPAJ-UHFFFAOYSA-N 536.497 2.720 50 10 KFGE Cc1nc2ccc(Br)cn2c1C(=O)NN=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 1084220035 XDSPPVPZAWDLTN-IBGZPJMESA-N 514.380 2.843 50 10 KFGE O=C(CCCCC(=O)NNS(=O)(=O)c1ccc2ccccc2c1)NNS(=O)(=O)c1ccc2ccccc2c1 108092329 NZVNDOVGJHNOGE-UHFFFAOYSA-N 554.650 2.873 50 10 KFGE Cc1cccc(C)c1N(CC(=O)NN=Cc1ccc(OCC(=O)NCc2ccco2)cc1)S(C)(=O)=O 254835691 NPFJRXKFVRHPJR-UHFFFAOYSA-N 512.588 2.508 50 10 KFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(OCCCBr)CC1 2207525765 YRKVXRXCAVMHHH-UHFFFAOYSA-N 501.443 2.905 50 10 KFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccc(OCCc2ccccc2)c1 13630298 YTLSJZAASSIRCF-HXUWFJFHSA-N 506.584 2.585 50 10 KFGE CC(C)[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)N1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1615526641 VKBLZOKSOHWLHH-OUKRDIKDSA-N 724.724 2.713 50 10 KFGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 2295483055 VQHATQAFVGIBFA-UHFFFAOYSA-N 504.455 2.959 50 10 KFGE C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@H]1OC[C@@H](C[C@@H](O)[C@H](Cl)[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O 1848436398 XJXYEEDNRCGGMO-FDTMSFRLSA-N 537.090 2.793 50 10 KFGE O=C(COc1nsnc1N1CCOCC1)N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl 100926820 FSAPRFOYOICAMC-LSFURLLWSA-N 573.882 2.591 50 10 KFGE COc1cc(C=NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254712850 GEMGVLTYLLOAQE-UHFFFAOYSA-N 566.523 2.729 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597485 RKWNLGNCXHFPPP-XIEYBQDHSA-N 520.458 2.950 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611504 YNQZZULSYCETJM-LGUFXXKBSA-N 505.487 2.807 50 10 KFGE O=C(COc1ccc(Cl)cc1)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccc(Cl)cc2)CC1 100103680 AIUMFBHHEQETNP-UHFFFAOYSA-N 537.400 2.552 50 10 KFGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 101573178 AMWKKLJLJNDEBO-UHFFFAOYSA-N 546.415 2.939 50 10 KFGE COC(=O)[C@@H](I)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 234613843 DMOQGNSNEANHBQ-VIFPVBQESA-N 540.999 2.775 50 10 KFGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 1866631246 NAMCLKIDMUCFSC-LJQANCHMSA-N 509.009 2.573 50 10 KFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 9821953 QFGRIGRDGOTDFW-UHFFFAOYSA-N 510.410 2.887 50 10 KFGE O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=O)NN=Cc1ccc(OC(=O)C=C2SC(=O)NC2=O)cc1 2041467741 XIBOQXNTMRZFFZ-UHFFFAOYSA-N 568.571 2.624 50 10 KFGE COc1c(O)ccc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1[N+](=O)[O-] 254384943 AKTFXCBEENLAFE-WLUSMZNKSA-N 504.455 2.959 50 10 KFGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 100318768 SSAYKRSAIYVCIK-ZDUSSCGKSA-N 523.409 2.515 50 10 KFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751499 DROFABSXYZYADT-UHFFFAOYSA-N 514.535 2.829 50 10 KFGE NNC(=O)[C@H]1C[C@H]1COc1c(I)cc(I)cc1I 2028054053 XLHOMZNGAIYSRK-FSPLSTOPSA-N 583.933 2.505 50 10 KFGE CCn1cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2282033019 NRYGEWVGTSGMNQ-UHFFFAOYSA-N 500.496 2.838 50 10 KFGE CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)CCCl)CC1 103138144 WAXYLXIQMBGEKF-UHFFFAOYSA-N 536.522 2.977 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 252613740 JDOFGYNUBPZCMU-UHFFFAOYSA-N 538.582 2.770 50 10 KFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC(C)(CBr)CBr 703979880 HGOHPFLDXXJUJT-UHFFFAOYSA-N 510.248 2.777 50 10 KFGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 1084058435 KEXWMRLJSSATDH-UHFFFAOYSA-N 516.554 2.690 50 10 KFGE O=C(Cc1ccc(Cl)cc1)NNC(=O)C1CCC(C(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1 100116350 YNNJRISEHZZDRQ-UHFFFAOYSA-N 505.402 2.880 50 10 KFGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 101492967 GCMPWIZQYPCTRD-UHFFFAOYSA-N 522.341 2.518 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccccc3O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530974 OSYNIELXSXHLKV-SCYZMUBJSA-N 538.641 2.821 50 10 KFGE biogenic Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 2296723155 JPTICZPHYMEFFI-KRWDZBQOSA-N 512.975 2.967 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3ccc(O)cc3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 254806251 NJKACLJQQJZZGC-VVOISWLOSA-N 538.641 2.821 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccncc3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642509 KOOLFLATVPVRQD-HDOSDTMJSA-N 523.630 2.510 50 10 KFGE O=C(CCC(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1)NCc1ccccc1 14039693 APEZLJVEKNMPPB-UHFFFAOYSA-N 520.611 2.877 50 10 KFGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 2296726017 YUXYUIPWCYAHGR-IBGZPJMESA-N 507.528 2.666 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccncc3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642511 KOOLFLATVPVRQD-ZIWGTRDNSA-N 523.630 2.510 50 10 KFGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C)cc1 33433308 FRYMTZNJAQYSSS-UYRXBGFRSA-N 508.556 2.839 50 10 KFGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)COc3ccc(C)cc3C)cc2)c(C)c1 100096395 UBOIYVOVBYXWRB-UHFFFAOYSA-N 518.570 2.600 50 10 KFGE COc1cccc(COc2ccccc2C=NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 254713337 AYJVZUPTUBRESG-UHFFFAOYSA-N 516.554 2.835 50 10 KFGE COc1ccc(C=NNC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1Cn1nc(C)c(Br)c1C 1084488014 LRCHUIJPVCMINL-UHFFFAOYSA-N 504.345 2.883 50 10 KFGE O[C@H](Cc1nc(CCl)cs1)Cn1cnc(I)c1I 2084028323 PJKVULIMCNBLHE-SSDOTTSWSA-N 509.538 2.891 50 10 KFGE C[C@H](CC(=O)NN)Oc1c(I)cc(I)cc1I 2300926196 JOSNQQZDKHNKMB-RXMQYKEDSA-N 571.922 2.648 50 10 KFGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 102851829 JPTICZPHYMEFFI-NIFLVVHWSA-N 512.975 2.967 50 10 KFGE O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1nonc1C(=O)N/N=C/c1cc2c(cc1Br)OCO2 103750954 DGCFVJAIADZIMJ-QVKIOAGYSA-N 608.159 2.580 50 10 KFGE Nn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nnc1-c1cccnc1 104768639 KDSZRVXYIHDDLE-AERZKKPOSA-N 527.202 2.527 50 10 KFGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 1084603514 NBRXTCQDVKRWCE-UHFFFAOYSA-N 534.569 2.539 50 10 KFGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCOC)cc1 14662998 BGNGGBXKHNORIM-UHFFFAOYSA-N 508.394 2.988 50 10 KFGE C[C@H](Sc1nnc(N/N=C/c2cc(Br)c(O)c(Br)c2)[nH]1)C(=O)NNC(=O)C1CCC1 253570962 OICABPSAQALZCE-NMSWJACLSA-N 561.260 2.909 50 10 KFGE CC[C@H](NC(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866908862 MPBZLMXUGVVIAG-VWNXMTODSA-N 541.699 2.716 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CC[C@@H](CBr)CO1 2364197937 QRZCRNBHLZWNCI-DLBZAZTESA-N 501.443 2.953 50 10 KFGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 100314078 RQEPLIOINWGRGC-KRWDZBQOSA-N 533.448 2.921 50 10 KFGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCCCn1ccnc1 110556671 YRNRJEGNAHQRAY-MOHJPFBDSA-N 571.663 2.870 50 10 KFGE COc1cc(C=NNC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=O)ccc1OC(=O)/C=C1/SC(=O)NC1=O 254398148 HCQYIOFFCNYVIL-AEDFENNNSA-N 598.597 2.632 50 10 KFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1860770530 MECPTPMZTNODBK-SNVBAGLBSA-N 501.417 2.899 50 10 KFGE O=C(NN=Cc1ccc(Br)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1083942068 PQQIEBOGSISPAC-QHCPKHFHSA-N 591.509 2.663 50 10 KFGE CCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H](C=C(C=O)C[C@]3(O)C(=O)C(C)=C[C@@H]32)[C@H]2C(C)(C)[C@@]21OC(=O)CCC 256371634 BSSVCYJMQUYSRI-GYKLEJPASA-N 502.604 2.839 50 10 KFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F 2254205031 QLBYTSJXHAYULB-RYUDHWBXSA-N 507.597 2.825 50 10 KFGE C[C@H](Sc1nnc(N/N=C/c2cc(Br)cc(Br)c2O)[nH]1)C(=O)NNC(=O)C1CCC1 253560787 BGIIYVHMNSRALG-NMSWJACLSA-N 561.260 2.909 50 10 KFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1nscc1B(O)O 2269566917 LOZQGJGSWZDAPX-QMHKHESXSA-N 507.421 2.954 50 10 KFGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCCN(S(C)(=O)=O)C2)C1 2270093379 VLBJYVQFJAVEKH-RHSMWYFYSA-N 502.415 2.632 50 10 KFGE COc1ccc(CCNC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2324787742 MGIVTQFALIWXME-UHFFFAOYSA-N 504.996 2.548 50 10 KFGE O=C(CNC(=O)c1cccc(Br)c1)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100057229 KOGHKRUMEJCPOE-BYNJWEBRSA-N 535.354 2.975 50 10 KFGE N#C/C(=C(\O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nnc(N2CCOCC2)n1-c1ccccc1 102942913 WVEDOYUEPZADSL-BSYVCWPDSA-N 503.519 2.799 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084625381 FNVJLAHKTKFDNP-SANMLTNESA-N 640.715 2.732 50 10 KFGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772752202 YQTFWHMZJUEULC-UHFFFAOYSA-N 502.499 2.960 50 10 KFGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1I 100083549 WVNWRLIHCWGDNW-UHFFFAOYSA-N 522.368 2.897 50 10 KFGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)CC1 2314476522 PYHVQZNBAVNPMH-AREMUKBSSA-N 651.767 2.713 50 10 KFGE CCCN1C(=O)/C(=N/NC(=O)CCCC(=O)N/N=C2/C(=O)N(CCC)c3ccc(OC)cc32)c2cc(OC)ccc21 100870165 SQMSSIBELHFLHS-RPZUVYPISA-N 562.627 2.728 50 10 KFGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865686787 AXDOUACUAZLDFS-XMMPIXPASA-N 502.575 2.767 50 10 KFGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1I 2313617277 WKOFVTCQPJGNJI-UHFFFAOYSA-N 541.367 2.666 50 10 KFGE CCOc1cc(C=NNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(I)c1O 252599769 DLNHQUKJCFNXKQ-UHFFFAOYSA-N 547.313 2.528 50 10 KFGE COc1ccc(CC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)cc1 100080707 XCCFAZKPYNUWRG-UHFFFAOYSA-N 531.226 2.864 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1083892467 HEDCEZAVYDKVCU-UHFFFAOYSA-N 528.543 2.966 50 10 KFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)c(Br)c1 14011496 SNHOTSGWSVBYEN-UHFFFAOYSA-N 522.421 2.724 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 725413779 FLBHBFNRUMLXKD-UHFFFAOYSA-N 527.555 2.756 50 10 KFGE COc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O 1084339082 GJDXYJBFTUYFJR-UHFFFAOYSA-N 524.599 2.743 50 10 KFGE NNC(=O)[C@@H]1CC[C@H]1COc1c(I)cc(Cl)cc1I 2228966937 RBDBXGLNSOZNHC-POYBYMJQSA-N 506.509 2.944 50 10 KFGE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2282007327 BUSAMNGSZQTDGC-UHFFFAOYSA-N 500.496 2.664 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccncc3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530954 KOOLFLATVPVRQD-QETCBIIASA-N 523.630 2.510 50 10 KFGE biogenic COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] 1084348362 SDFIFAQGRKDDPL-UHFFFAOYSA-N 553.597 2.946 50 10 KFGE COc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1I 100041239 DPJRZGMKVZGDND-UHFFFAOYSA-N 552.106 2.988 50 10 KFGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858957865 VYEHNKCNAVAMCQ-UHFFFAOYSA-N 500.445 2.910 50 10 KFGE Cc1ccc(O[C@H](C)C(=O)NNC(=O)CCCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1C 100273085 YXCDOQJGWBABDX-NHCUHLMSSA-N 512.607 2.620 50 10 KFGE CCNc1ccc(C(=O)NN=Cc2ccc(OCC(=O)N3C[C@@H](C)O[C@H](C)C3)c(OC)c2)cc1[N+](=O)[O-] 254745535 ILXRURPFUNRLQT-IAGOWNOFSA-N 513.551 2.814 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1083980095 XYQWXNKOILAJSN-UHFFFAOYSA-N 573.540 2.874 50 10 KFGE O=C(NN=Cc1cc2c(cc1Br)OCO2)c1nonc1C(=O)NN=Cc1cc2c(cc1Br)OCO2 1083994941 DGCFVJAIADZIMJ-UHFFFAOYSA-N 608.159 2.580 50 10 KFGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 150498182 QHOHYLNTDLGVKN-ZTKZIYFRSA-N 659.721 2.732 50 10 KFGE CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)Nc1ccc(SC#N)cc1 1866653828 AHBYACBGODUBCX-RTWAWAEBSA-N 567.736 2.711 50 10 KFGE COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C(/C#N)C(=O)NC[C@H]3CCCO3)CC2)cc1 33931686 LECSRTCAOBGDTI-VKCJIPKCSA-N 528.613 2.540 50 10 KFGE O=C(N/N=C1/C(=O)N(CN2CCOCC2)c2ccc(Br)cc21)c1ccccc1Br 97984229 YIHIVQFAXNNNRY-PTGBLXJZSA-N 522.197 2.982 50 10 KFGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 100081552 OYHKAXXIQSKBEU-UHFFFAOYSA-N 576.223 2.908 50 10 KFGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(CCO)c1C 253579531 ZTOFHJGUMNZNIY-BRJLIKDPSA-N 594.483 2.729 50 10 KFGE COc1cccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1O 1083928656 ZBTUWPLCZVQFLC-UHFFFAOYSA-N 515.519 2.657 50 10 KFGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2cc(Br)c(O)c(Br)c2)n1 1084369819 RAGLHIPTCBNPRO-UHFFFAOYSA-N 549.249 2.767 50 10 KFGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccc(F)cc1 1084564661 KEIFYIVQRHMIGR-UHFFFAOYSA-N 516.526 2.899 50 10 KFGE Cc1nc(I)c(NC(=O)[C@H]2C[C@@H]2Br)c(I)n1 1991402189 RQJMNZKXOXLCAX-WHFBIAKZSA-N 507.895 2.716 50 10 KFGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2350357572 SFFLPJBITPBIML-QVKFZJNVSA-N 509.691 2.961 50 10 KFGE CCC[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)NC(C)=C1C(C)=O 20581915 JGAZRZZMJMROCC-FQEVSTJZSA-N 518.661 2.997 50 10 KFGE CC1(C)[C@@H](COC(=O)CCSSCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CC=[N+]1[O-] 22051709 SQDWGYYOGJCTFX-YLAKUSLOSA-N 532.754 2.523 50 10 KFGE in-vitro O=C(NNc1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067534 OFIZUQIJDDSNBV-UHFFFAOYSA-N 517.256 2.569 50 10 KFGE C=CCc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 1615168270 CDOLSFKADCZMEU-NXNFSMPISA-N 532.327 2.749 50 10 KFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)cc(C)c2)cc1I 13981140 PYUSOQKNDMFHOH-UHFFFAOYSA-N 513.357 2.631 50 10 KFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3ccccc3O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530972 OSYNIELXSXHLKV-JQRFBIFWSA-N 538.641 2.821 50 10 KFGE biogenic COc1ccc(OCc2ccc(C=NNc3nc(S[C@H](C)C(=O)NNC(=O)C4CCC4)n[nH]3)o2)cc1 1084088481 XHUBOEJBIKCKGS-CQSZACIVSA-N 513.580 2.859 50 10 KFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCCCCI 2000544665 PLVFQZBAXQAPLR-GOSISDBHSA-N 510.369 2.926 50 10 KFGE O=C(NOCCCNC(=O)c1cc(F)c(B(O)O)cc1Cl)OCC1c2ccccc2-c2ccccc21 2267806790 BKBIERJIUWPKIX-UHFFFAOYSA-N 512.730 2.749 50 10 KFGE N#CC1=C(N)n2c(s/c(=C/c3c(F)cccc3Cl)c2=O)=C(C(N)=O)[C@H]1c1c(Cl)cccc1Cl 2224292 CGOCXDVHOBAEPV-UBYXTUIOSA-N 521.788 2.922 50 10 KFGE O=C(NN=Cc1ccc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)cc1)c1ccc(CN2CCOCC2)cc1 254799785 LTNHYXCZCIWQKD-UHFFFAOYSA-N 568.678 2.879 50 10 KFGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cn(C)nc1C 1084046269 AUWVAHQSMRBJIK-UHFFFAOYSA-N 550.430 2.965 50 10 KFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325279406 NTFDMKYJVRJJKE-UHFFFAOYSA-N 534.013 2.668 50 10 KFGE O=C(CCCC(=O)NNC(=O)COc1cccc2ccccc12)NNC(=O)COc1cccc2ccccc12 100059768 YZGHNOSJIXCLAF-UHFFFAOYSA-N 528.565 2.916 50 10 KFGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 1083934717 KKUSCNLNWFBBTK-UHFFFAOYSA-N 504.543 2.530 50 10 KFGE C[C@@H](Sc1nnc(N/N=C/c2cc(Br)c(O)c(Br)c2)[nH]1)C(=O)NNC(=O)C1CCC1 253570961 OICABPSAQALZCE-JCSHNYPTSA-N 561.260 2.909 50 10 KFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br 14770985 SHNLCHUIGAKOFR-UHFFFAOYSA-N 512.382 2.823 50 10 KFGE Cc1cc(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)ccc1Br 100056619 HXNAFMLPGUELOE-UHFFFAOYSA-N 614.291 2.751 50 10 KFGE Cc1ccccc1OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc1ccccc1C 100046067 WYUCMYMJBOLVHA-UHFFFAOYSA-N 512.607 2.787 50 10 KFGE O=C1c2ccccc2C(=O)N1CCN1C(=O)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 103737277 GWJOHUWUUFKNQX-FJEPWZHXSA-N 530.356 2.983 50 10 KFGE O=C(NN=C1CCC(=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105436125 NWNDZBDVIAFJCT-UHFFFAOYSA-N 528.394 2.765 50 10 KFGE Nc1ccc(C(=O)NN=Cc2cc(C=NNC(=O)c3ccc(N)cc3)cc(C=NNC(=O)c3ccc(N)cc3)c2)cc1 254873757 PZRNHIJRZQSQMG-UHFFFAOYSA-N 561.606 2.725 50 10 KFGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CCOCCI 1893375988 BGRCKLCJUXMEGS-UHFFFAOYSA-N 501.406 2.789 50 10 KFGE CCOc1cc(C=CC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1OCC(C)C 2042446245 LOXIHXDLUDPYCA-UHFFFAOYSA-N 503.621 2.910 50 10 KFGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314617701 ULLBGXSOIKCTRU-UHFFFAOYSA-N 543.605 2.782 50 10 KFGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)cc1CSc1nnc(C)s1 254348469 FPEBOWFSDGQHSP-UHFFFAOYSA-N 603.741 2.793 50 10 KFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NS(=O)(=O)c2ccc(F)cc2)CCC3)cc1 40826197 LSVXSXYSMZAVRH-LGUFXXKBSA-N 514.535 2.829 50 10 KFGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1C 103071550 XAULLHNRCCBPSQ-STZFKDTASA-N 544.630 2.633 50 10 KFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)CC1CCOCC1 2195481749 ISNOMFRKICLURF-QGZVFWFLSA-N 501.443 2.953 50 10 KFGE C[C@@H](OCC(=O)OCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)OCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 725383105 SFCYDJWPAWYUMF-OAHLLOKOSA-N 608.472 2.602 50 10 KFGE CC(=NOCC(=O)NN=C1C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21)c1cccs1 1082733114 LHUOSFJZHJWCKS-VQTJNVASSA-N 544.637 2.594 50 10 KFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2313617113 FWQBQCNHDCHBRP-UHFFFAOYSA-N 500.577 2.557 50 10 KFGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN=Cc1cccc([N+](=O)[O-])c1 254816152 KDIYZEBYIDNWSY-UHFFFAOYSA-N 520.589 2.979 50 10 KFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751680 JKYAFODBJCOKFU-UHFFFAOYSA-N 514.535 2.586 50 10 KFGE CSCC[C@H](NC(=O)[C@@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C(C)C)C(=O)O 206154811 MCJMTARMCWUXDV-ICSRJNTNSA-N 506.496 2.976 50 10 KFGE COc1ccc(/C=C\C(=O)NCC(=O)N/N=C2\C(=O)Nc3c(Br)cc(Br)cc32)cc1 102634851 QAHMLWDFRYWOPI-DAXSKMNVSA-N 536.180 2.822 50 10 KFGE O=C(CCCCC(=O)NNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(Br)cc1 105415011 UEOLTVPXTCVRLH-UHFFFAOYSA-N 540.212 2.994 50 10 KFGE COc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1O 254842046 ZJBXTSBGJFBDCB-UHFFFAOYSA-N 510.572 2.700 50 10 KFGE C[C@@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1nnc(CBr)s1 1877571691 YAFMZHFIOFOGLV-GFCCVEGCSA-N 501.428 2.880 50 10 KFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)cc1 13976774 KSLCMIIYRNVKHK-UHFFFAOYSA-N 513.357 2.577 50 10 KFGE Cc1ccc(O[C@@H](C)C(=O)NNC(=O)CCCC(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1C 100273083 YXCDOQJGWBABDX-OYRHEFFESA-N 512.607 2.620 50 10 KFGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 101494049 HUZANKKRDPWSAS-UHFFFAOYSA-N 551.303 2.808 50 10 KFGE COc1cc(C(=O)NCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc(OC)c1OC 254833969 PKLMLHOJMODZTJ-UHFFFAOYSA-N 516.554 2.552 50 10 KFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40826205 JKYAFODBJCOKFU-LGUFXXKBSA-N 514.535 2.586 50 10 KFGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)OCO3)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859006023 ZKJQQJNVZZTUEF-UHFFFAOYSA-N 531.474 2.912 50 10 KFGE COc1ccc2c(c1)/C(=N/NC(=O)CCC(=O)N/N=C1/C(=O)N(CC(C)C)c3ccc(OC)cc31)C(=O)N2CC(C)C 100870241 HSSYYBMQJVEQGJ-DENOHBPFSA-N 576.654 2.830 50 10 KFGE CCN(C[C@](C)(CI)O[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2270093772 AOZGUDIYCZGOQG-PBHICJAKSA-N 504.431 2.878 50 10 KFGE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)n1C 2362488389 VZSGRTRWFGPWGU-UHFFFAOYSA-N 500.496 2.664 50 10 KFGE Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCCCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)c(C)c1 100044225 GASYRUVEHQUPFF-UHFFFAOYSA-N 580.686 2.913 50 10 KFGE CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)[C@H](C)Cl)CC1 103138560 OTMSCHOIGGGJOP-SFHVURJKSA-N 536.522 2.975 50 10 KFGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 14647807 BEDUWJDRCLYSPW-UHFFFAOYSA-N 521.437 2.970 50 10 KFGE Cc1c(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1084266665 IOEPBDSHGVGYOS-UHFFFAOYSA-N 633.687 2.575 50 10 KFGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 254378939 OHIBUYYQZKBWIU-UHFFFAOYSA-N 522.631 2.566 50 10 KFGE O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CCCCC2)cc1 12502299 ZDMHVHKKSSXIRC-UHFFFAOYSA-N 514.520 2.971 50 10 KFGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1C 101109009 GMLQDNGMNCPFKW-KQWNVCNZSA-N 506.584 2.721 50 10 KFGE Cc1cc(B(O)O)c(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1Cl 2266854691 HPLAAANWOOYFJM-UHFFFAOYSA-N 508.767 2.918 50 10 KFGE O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=O)N/N=C/c1ccc(OC(=O)/C=C2\SC(=O)NC2=O)cc1 97981094 XIBOQXNTMRZFFZ-BUANEPLZSA-N 568.571 2.624 50 10 KFGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770291 BMRQUAWXDNFHKJ-VXGBXAGGSA-N 511.025 2.816 50 10 KFGE Cc1cnc(Nc2cc(Br)c(I)c(Br)c2)cc1B(O)O 2240320520 RVUPLNAKZCJLLP-UHFFFAOYSA-N 511.748 2.943 50 10 KFGE CC[C@@H](O)C(=O)OC(=O)c1c(I)c(NC(C)=O)c(I)c(NC(C)=O)c1I 95847846 WMYNAVXFQDMUQI-SSDOTTSWSA-N 700.005 2.872 50 10 KFGE O=C(N[C@@H]1C(F)(F)C12CC(NS(=O)(=O)N1CCC(Br)CC1)C2)OCc1ccccc1 2207130623 BTMZYKIXPBWUNV-PQUAAJSLSA-N 508.385 2.773 50 10 KFGE COCCCNC(=O)Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c2cc(Br)ccc21 59087161 UMIHVUZCYIZVAM-LZOLKVDOSA-N 503.397 2.759 50 10 KFGE C=CCOc1ccc(C(=O)NNC(=O)C2CCC(C(=O)NNC(=O)c3ccc(OCC=C)cc3)CC2)cc1 100135311 FDLUASWMFMEQEY-UHFFFAOYSA-N 520.586 2.845 50 10 KFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1nscc1B(O)O 2268639304 NMKGSOQZALHIBE-KXNSMUHISA-N 507.421 2.954 50 10 KFGE COc1ccc(OCc2ccc(/C=N/Nc3nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]3)o2)cc1 59880205 BBIKAVMRVOHPMI-BMYBCIMUSA-N 501.569 2.715 50 10 KFGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc(C(=O)OC)c1 40705804 RCNQOVAMQHKCJA-UHFFFAOYSA-N 515.324 2.895 50 10 KFGE COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 97610402 IMVPQPDIIGWNAR-NBZGVHSRSA-N 504.455 2.959 50 10 KFGE COc1cc(C(=O)NCC(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)cc(OC)c1OC 100520387 PKLMLHOJMODZTJ-QCKNELIISA-N 516.554 2.552 50 10 KFGE C[P@]1(=O)C[C@H](Br)[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338852457 OKUJPFOWCVXBFP-ACDPGZMHSA-N 505.371 2.901 50 10 KFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1)c1ccc(Br)cc1 706255 ABILJWYPPYLYFZ-UHFFFAOYSA-N 502.377 2.525 50 10 KFGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CCCN(S(C)(=O)=O)C2)C1 2270093378 VLBJYVQFJAVEKH-PBHICJAKSA-N 502.415 2.632 50 10 KFGE CCN(CC)c1c(C=NNc2nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)c(C)nn1-c1ccccc1 1083912942 HSTINHWHMPKKJH-QGZVFWFLSA-N 526.671 2.875 50 10 KFGE COC(=O)c1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 1084541759 XWIURZLUETUCPX-UHFFFAOYSA-N 508.394 2.787 50 10 KFGE C/C(=N\NC(=O)c1c[nH]ccc1=NS(=O)(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1 2059028481 UPJALAZUKFDTIN-KOEQRZSOSA-N 547.684 2.694 50 10 KFGE O=C(NOCCCNC(=O)c1cc(B(O)O)c(Cl)s1)OCC1c2ccccc2-c2ccccc21 2247888486 AGYUEZLCABTNAR-UHFFFAOYSA-N 500.769 2.672 50 10 KFGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 2296726018 YUXYUIPWCYAHGR-LJQANCHMSA-N 507.528 2.666 50 10 KFGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)c1 100080742 CXFLWTPSQNEWLS-UHFFFAOYSA-N 531.226 3.000 50 10 KFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2scc(B(O)O)c2C1 2336494059 GGCNUIQDLNGDTQ-RUZDIDTESA-N 504.417 2.876 50 10 KFGE CCOC(=O)N1CCN(C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)CC1 215668460 FKHWPOYGRNRGOB-SWAIGYAZSA-N 524.611 2.819 50 10 KFGE biogenic CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)c(O)c1 254771681 ZWZIYKAZZMBKMS-UHFFFAOYSA-N 507.580 2.841 50 10 KFGE CC(C)Oc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770324 CYVSXPPQSJNLKS-HUUCEWRRSA-N 504.634 2.941 50 10 KFGE O=C(Nc1c(I)ncnc1I)[C@H]1C[C@H](Br)C1 1991426767 BLCMPYZWZAUYQG-URHBZAFASA-N 507.895 2.798 50 10 KFGE COCCNS(=O)(=O)c1ccc(/C(C)=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 2059028384 CMQSZXWYHYWRAT-JLPGSUDCSA-N 536.657 2.628 50 10 KFGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 2314476338 MYICVNXUBYIEDS-BKSPAHHJSA-N 609.730 2.547 50 10 KFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccccc2)cc1 1084448164 IXDSCTHZMIFKHZ-UHFFFAOYSA-N 553.597 2.786 50 10 KFGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 100318691 WECFJXTWWGGECF-HNNXBMFYSA-N 537.436 2.905 50 10 KFGE COc1cccc(C(C)=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 1084199308 BZBQHWSRKPIIJY-UHFFFAOYSA-N 514.524 2.897 50 10 KFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC1CCOCC1 2195476423 PNSHBAJQVLMXAU-QRWLVFNGSA-N 505.406 2.510 50 10 KFGE CCOc1cc(/C=C\C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1OCC(C)C 35104834 LOXIHXDLUDPYCA-UVTDQMKNSA-N 503.621 2.910 50 10 KFGE CCN(CC)c1c(/C=N/Nc2nnc(S[C@H](C)C(=O)NNC(=O)C(C)C)[nH]2)c(C)nn1-c1ccccc1 253565431 HSTINHWHMPKKJH-NFXIUMSZSA-N 526.671 2.875 50 10 KFGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866582572 XCGQHSFWFLFEGX-XMSQKQJNSA-N 515.613 2.676 50 10 KFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC)c(I)c2)cc1 100078808 GHVBCLYBUDFUGB-UHFFFAOYSA-N 540.383 2.988 50 10 KFGE CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCCN4CCOCC4)c(OCC)c3)[C@@H]2C1 105565715 JNGUHFCCOAKBHN-BVAGGSTKSA-N 546.628 2.678 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2cccc(OC)c2O)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 254699666 LGDPVKSMSKMSRT-UHFFFAOYSA-N 544.542 2.672 50 10 KFGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 100318688 WECFJXTWWGGECF-OAHLLOKOSA-N 537.436 2.905 50 10 KFGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 101341027 YOTKSYDLWLSUDM-OVVQPSECSA-N 615.668 2.716 50 10 KFGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cc(Br)ccc1O 103741213 BLNDHHHFBVTZAY-SZXQPVLSSA-N 533.338 2.932 50 10 KFGE NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084282504 GZFGSDUAWWHMMP-UHFFFAOYSA-N 529.018 2.588 50 10 KFGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 100314055 WBUDVCMCMCZRTN-MRXNPFEDSA-N 533.448 2.922 50 10 KFGE CCN(CC)c1c(C=NNc2nc(SCC(=O)NNC(=O)C3CCC3)n[nH]2)c(C)nn1-c1ccccc1 1084639756 XHMDZTOOGBJUEF-UHFFFAOYSA-N 524.655 2.631 50 10 KFGE COc1ccc(CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1OC 1858957899 XQTMYHTUCCUETI-UHFFFAOYSA-N 529.527 2.948 50 10 KFGE CC(C)c1ccccc1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1ccccc1C(C)C 100092661 FDMLNPRSNDUWEA-UHFFFAOYSA-N 512.607 2.856 50 10 KFGE CN(Cc1ccccc1B(O)O)Cc1c2ccccc2c(CN(C)Cc2ccccc2B(O)O)c2ccccc12 195275613 JGORLCKUOHMGES-UHFFFAOYSA-N 532.258 2.617 50 10 KFGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)OC)cc1)S(=O)(=O)c1ccccc1 1084185589 SUJYXGKGSQPPKD-UHFFFAOYSA-N 525.583 2.983 50 10 KFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCOC)cc1 14662986 CZBCYTCEZATLIA-UHFFFAOYSA-N 510.410 2.751 50 10 KFGE CC1(C)O[C@@H]2[C@H](CI)O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H]2O1 217537246 SCFMQQDZPFBOLD-JQZVDIJISA-N 521.315 2.931 50 10 KFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCOCC1 253570040 NBYZMYNYUCEJAJ-UXHLAJHPSA-N 597.709 2.830 50 10 KFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600396 NCSBWJJHMBTZDL-LGUFXXKBSA-N 505.487 2.807 50 10 KFGE CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)[C@H](C)Cl)CC1 103064100 DNRSCOUADNCINQ-SFHVURJKSA-N 536.522 2.975 50 10 KFGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 2296846317 AODDGBHKVHDXKG-OALUTQOASA-N 505.600 2.990 50 10 KFGE COc1c(Br)cc(Br)cc1C=NNC(=O)Cn1c(O)nc2ccccc2c1=O 2328808941 DOMJRMUMOZHIMZ-UHFFFAOYSA-N 510.142 2.786 50 10 KFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC(F)(F)C(F)(F)CI 2336537425 WPRRQUGKAOTELN-UHFFFAOYSA-N 550.312 2.934 50 10 KFGE CCOc1ccc(/C=N/NC(=O)c2nonc2NCCCl)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 102738133 JWVYQUUDDHFOHY-AWXOKLQVSA-N 540.024 2.664 50 10 KFGE COC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 254745664 QPSPRBCHHZWNAE-UHFFFAOYSA-N 555.609 2.910 50 10 KFGE O=C(CO[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@H]21)NNC(=O)c1cccc(F)c1 250123481 UUUFZYHZZUZQKA-BRGVPEGFSA-N 534.581 2.848 50 10 KFGE biogenic COc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1083991125 ZVAFHHYVOXKMFF-UHFFFAOYSA-N 506.353 2.517 50 10 KFGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 40794645 QJDRMZMXNAGSCG-UHFFFAOYSA-N 512.379 2.502 50 10 KFGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)c1 100278258 OBFGYZDBMUTBFP-UHFFFAOYSA-N 545.209 2.713 50 10 KFGE Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 1084162230 SHULRHKSUBPTHF-UHFFFAOYSA-N 510.967 2.503 50 10 KFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1nscc1B(O)O 2268679552 FWNZQHDVVYYKHE-WAIKUNEKSA-N 507.421 2.906 50 10 KFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823178 SIFOHJQFTZOGTJ-XKJRVUDJSA-N 516.414 2.640 50 10 KFGE Cc1cc2ncn(CC(=O)N/N=C3\C(=O)N(CCN4C(=O)c5ccccc5C4=O)c4ccccc43)c2cc1C 59153908 LTVAEGHMMJYBET-FSRJSHLRSA-N 520.549 2.816 50 10 KFGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)C1=O 214435555 SHPCDFWPBQUWLC-IMRQLAEWSA-N 617.684 2.962 50 10 KFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747864 SIFOHJQFTZOGTJ-UHFFFAOYSA-N 516.414 2.640 50 10 KFGE CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@H](CC(=O)O)C[C@@](O)(CCl)[C@@H]2O)O[C@@H]1C 95592629 GAXKYFBEYVVCBB-FUDLAKRJSA-N 572.095 2.648 50 10 KFGE COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OCc1ccccc1 254522624 MRWSRANWJQRDTP-UHFFFAOYSA-N 516.554 2.835 50 10 KFGE COCOc1c(B(O)O)cc2ccccc2c1-c1c(OCOC)c(B(O)OC(C)(C)C(C)(C)O)cc2ccccc12 575629811 WJHZTHBQVLDKHU-UHFFFAOYSA-N 562.233 2.559 50 10 KFGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1OC 1772720177 HGXXIPRSUUSRLB-UHFFFAOYSA-N 581.578 2.838 50 10 KFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCBr)C1CCOCC1 2381009969 LRNURRFASZOVQS-HXUWFJFHSA-N 505.406 2.607 50 10 KFGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 101493614 XTGVJRCHOGTIAD-UHFFFAOYSA-N 522.305 2.979 50 10 KFGE COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)C(Cl)Cl)CC3)c2)cc1 103167267 ACUONNIATYWJEL-UHFFFAOYSA-N 502.420 2.981 50 10 KFGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237187 NTFDMKYJVRJJKE-ZCXUNETKSA-N 534.013 2.668 50 10 KFGE NNC(=O)[C@H]1CC[C@@H]1COc1c(I)cc(Cl)cc1I 2228966938 RBDBXGLNSOZNHC-SVRRBLITSA-N 506.509 2.944 50 10 KFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)c(Br)c1 100088030 BGMXERFALQGLBQ-UHFFFAOYSA-N 526.409 2.752 50 10 KFGE O=C1c2ccccc2C(=O)N1CCN1C(=O)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 1084247912 GWJOHUWUUFKNQX-UHFFFAOYSA-N 530.356 2.983 50 10 KFGE CCOC(=O)[C@@H]1[C@@H]2[C@@H]3C[C@H](Br)CC[C@@H]3[C@@H]3NNC(=N)N[C@@H]3[C@@H]2N(Cc2ccccc2)[C@H]1C 605810193 ZVGVUMTWQUDBKD-RNCHANBXSA-N 504.473 2.618 50 10 KFGE CCCc1ccc(O[C@@H]2O[C@H](CI)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 1615168289 HYHMWEKPMRVSDV-XDWAVFMPSA-N 534.343 2.973 50 10 KFGE O=C1CN(C(=O)c2ccc(Br)cc2I)CCN1CCBr 2207270423 BDMUPNNANKJSNP-UHFFFAOYSA-N 515.971 2.733 50 10 KFGE Cc1ccc(NC(=O)C(=NNC(=O)C(N)=O)[C@H](C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1C 254838218 IFLIJRJJDKIWGU-KRWDZBQOSA-N 505.516 2.539 50 10 KFGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)c1 1084399872 WRPLHRAGADWOJE-UHFFFAOYSA-N 583.623 2.794 50 10 KFGE CC1=CC(=O)C(=C(C)NNC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)C(=O)O1 2297576331 VBLYZLCQDSZFJI-UHFFFAOYSA-N 537.370 2.558 50 10 KFGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 110557668 GHNSYRJCNPEBJH-QFVBLGFASA-N 567.693 2.780 50 10 KFGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCc3ccccc32)c(O)c1 254746900 MFHXOCQZMZRAIB-UHFFFAOYSA-N 530.593 2.501 50 10 KFGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1 1084176590 BEPYAPQJSXYSSY-UHFFFAOYSA-N 506.515 2.819 50 10 KFGE CS(=O)(=O)N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc2ccccc12 1083885642 DXDSEIAMUJCGMS-UHFFFAOYSA-N 511.560 2.501 50 10 KFGE CC(=O)Nc1ccc([C@@H](O)C(=NNC(=O)Cc2ccccc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 254737512 RLQJBOLRTXYLSE-RUZDIDTESA-N 514.498 2.999 50 10 KFGE C[C@H](Br)CN1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2176853109 CLIYWBLXCWRCAJ-KRWDZBQOSA-N 500.459 2.574 50 10 KFGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CCCN(S(C)(=O)=O)C2)C1 2270093381 VLBJYVQFJAVEKH-YOEHRIQHSA-N 502.415 2.632 50 10 KFGE CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 72130447 OTHVURBITOMQHQ-GVQINVNESA-N 721.025 2.551 50 10 KFGE in-vitro COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103863979 YKVBMCCZFKMHKT-SSDVNMTOSA-N 538.311 2.849 50 10 KFGE C[C@@H](Sc1n[nH]c(N/N=C/c2ccc(COc3ccc(F)cc3)o2)n1)C(=O)NNC(=O)C1CCC1 59880239 MFKOQIXGLRKTOM-DDFZXGMKSA-N 501.544 2.990 50 10 KFGE O=C(CN1CCOCC1)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 164562398 HSFSRRDEMCIZPC-BHGWPJFGSA-N 649.223 2.955 50 10 KFGE COc1ccccc1/C=C/C(=O)NCC(=O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254852096 TVCKTSHZNWGBRE-HDNGKYSBSA-N 512.522 2.621 50 10 KFGE CC(=O)O[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083818450 VGYXHRLXTGSRIS-UCWKTGAJSA-N 586.710 2.646 50 10 KFGE O=C(NN=Cc1ccccc1C(F)(F)F)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 1084434246 LEQYBQRIKUSPLB-QHCPKHFHSA-N 580.610 2.920 50 10 KFGE CCCN1C(=O)C(=NNC(=O)CCC(=O)NN=C2C(=O)N(CCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720000 BVKOQASPCHPBPI-UHFFFAOYSA-N 516.602 2.938 50 10 KFGE CCN(CC)Cc1c(C(=O)NN=Cc2ccc(OCc3ccccc3C)cc2)nnn1-c1nonc1N 254439129 MOPSAWPFHWVZCV-UHFFFAOYSA-N 503.567 2.726 50 10 KFGE O=C(CC[C@@H](NC(=O)C(=O)O)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21)OCc1ccccc1 396510900 FSRMKPLLEPGGKI-XMMPIXPASA-N 545.548 2.649 50 10 KFGE Cc1nc(I)c(I)n1Cc1cccc(C(=O)NN)c1Cl 2145233843 IJDWFJHGDHUJHK-UHFFFAOYSA-N 516.508 2.706 50 10 KFGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 2314476339 MYICVNXUBYIEDS-DNRQZRRGSA-N 609.730 2.547 50 10 KFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c(Br)c1 100086895 SXTYTFVSNUWUOB-UHFFFAOYSA-N 526.409 2.752 50 10 KFGE CSCC[C@@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C(=O)N[C@@H](C(=O)O)C(C)C 206154877 FONATSFQSZKLHS-UYAOXDASSA-N 506.496 2.976 50 10 KFGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)o1 254874995 UOIJNLCAMYXXTD-UHFFFAOYSA-N 554.574 2.809 50 10 KFGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 1083904730 WRNYWDCTDHHPCL-UHFFFAOYSA-N 502.527 2.647 50 10 KFGE COc1cc(C=NNC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c(Br)c(Br)c1O 4150863 PMNOIWKFIWWIDF-GXTWGEPZSA-N 511.170 2.906 50 10 KFGE C/C(=N/NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(OCC(=O)N2CCCC2)cc1 33497003 NIHYASVCGIENIP-HGFJFHOVSA-N 526.659 2.937 50 10 KFGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNS(=O)(=O)c1ccc(Br)cc1 1860770393 GXKRKFFPOPPNAV-UHFFFAOYSA-N 519.402 2.897 50 10 KFGE COc1cc(C=NNC(=O)c2ccc(CSc3nncn3C)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 254558114 FRIJBJGMGOITIO-OALUTQOASA-N 552.657 2.895 50 10 KFGE C[C@@H](C(=O)O)N1C[C@H](C)N([C@H](C)C(=O)O)C[C@@H](C)N([C@H](C)C(=O)NCCSSc2ccccn2)C[C@@H](C)N([C@H](C)C(=O)O)C[C@H]1C 255965701 BVEXZTXAUQXVNC-DMIPQKQBSA-N 684.926 2.522 50 10 KFGE COC(=O)c1ccc(C(=O)NCCCOCCOCCOCCOC(=O)ON2C(=O)CCC2=O)cc1P(c1ccccc1)c1ccccc1 642722149 WZIMATVYDDVALU-UHFFFAOYSA-N 694.674 2.618 50 10 KFGE CC(C)COc1ccc(C=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 1084249534 XKTGMLNYLRWPEB-HHHXNRCGSA-N 584.720 2.936 50 10 KFGE C[C@H](CBr)N1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364210013 XYCCVIOMOSIAFF-QGZVFWFLSA-N 500.459 2.574 50 10 KFGE CCOc1ccc(/C=N/NC(=O)c2nsnc2NC)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 20616190 ZOFOBYDJGMSQOM-XCFLFJQTSA-N 507.620 2.523 50 10 KFGE biogenic CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(C)cc2Br)cc1 100080468 ZVTHROPSWGSKTK-UHFFFAOYSA-N 537.436 2.976 50 10 KFGE O=C(COc1ccccc1I)NN=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 1084184996 YXCAAXGSZUTVNC-UHFFFAOYSA-N 546.365 2.634 50 10 KFGE CCN(CC)c1c(C=NNc2nc(SCC(=O)NNC(=O)C(C)(C)C)n[nH]2)c(C)nn1-c1ccccc1 1084378549 HZQOGPBNHDPQCT-UHFFFAOYSA-N 526.671 2.877 50 10 KFGE COc1cc(C(=O)NCC(=O)NN=Cc2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 254761241 VORIBDOXXVSYJJ-UHFFFAOYSA-N 536.497 2.720 50 10 KFGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616591324 YEJYGCSQLCXHSL-WMJDNDCMSA-N 558.700 2.729 50 10 KFGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616591321 YEJYGCSQLCXHSL-QXLMEFJZSA-N 558.700 2.729 50 10 KFGE COc1ccc(N(CC(=O)NN=Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 725403327 LOKCULMMNNKQTF-UHFFFAOYSA-N 527.555 2.756 50 10 KFGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2cc(Br)c(O)c(Br)c2)n1 1083986222 FOHYEBXLULRRBX-QMMMGPOBSA-N 549.249 2.765 50 10 KFGE COc1ccc2c(c1)C(=NNC(=O)CCC(=O)NN=C1C(=O)N(CC(C)C)c3ccc(OC)cc31)C(=O)N2CC(C)C 1772720283 HSSYYBMQJVEQGJ-UHFFFAOYSA-N 576.654 2.830 50 10 KFGE COC(=O)c1cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c1C 1887520188 HCEVRFCAMZVUMY-UHFFFAOYSA-N 500.360 2.533 50 10 KFGE O=C(c1cc(I)cc(I)c1I)N1CCC(B(O)O)CC1 2285872775 QVSRISFLFBUXNK-UHFFFAOYSA-N 610.764 2.579 50 10 KFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c1 100087992 JUCXOUDZOSFCCM-UHFFFAOYSA-N 526.325 2.542 50 10 KFGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1916367201 RCCFJNYSWWMEPF-GOSISDBHSA-N 509.422 2.915 50 10 KFGE Cc1c(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 725400252 PWRAUGLAYFZZAG-UHFFFAOYSA-N 547.593 2.528 50 10 KFGE COC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084353796 YEELDBJFRPMNBW-UHFFFAOYSA-N 523.611 2.931 50 10 KFGE